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Fix/curate qq #334

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05fc0a9
Change IPB TSQ7000 and TSQ Quantum AM to QQQ
sneumann Oct 15, 2025
8184cf4
Change Waters QuattroPremier XE to QQQ
sneumann Oct 15, 2025
ab2e9e0
Change API3000, Applied Biosystems to QQQ
sneumann Oct 15, 2025
3f29488
Change MSSJ ESI-QQ to QQQ
sneumann Oct 15, 2025
02840fe
Change MSSJ EI-QQ to QQQ
sneumann Oct 15, 2025
2c6eca7
Change Waters, Quattro Ultima Pt Micromass to QQQ
sneumann Oct 15, 2025
591c307
Change Osaka_Univ EI-QQ to QQQ
sneumann Oct 15, 2025
7e20dee
Change Waters Xevo TQ to QQQ
sneumann Oct 15, 2025
97f9365
Change API2000 to QQQ
sneumann Oct 15, 2025
deb1c2a
Change several RIKEN_Respect to QQQ
sneumann Oct 15, 2025
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001448.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001449.txt
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ACCESSION: MSBNK-IPB_Halle-PB001449
RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.27, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -16,7 +16,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001481.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001482.txt
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ACCESSION: MSBNK-IPB_Halle-PB001482
RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:35 eV; M+
RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:35 eV; M+
DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001483.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001501.txt
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ACCESSION: MSBNK-IPB_Halle-PB001501
RECORD_TITLE: Betaine-Aldehyde; LC-ESI-QQ; MS2; CE:25 eV; M+
RECORD_TITLE: Betaine-Aldehyde; LC-ESI-QQQ; MS2; CE:25 eV; M+
DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001521.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001601.txt
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ACCESSION: MSBNK-IPB_Halle-PB001601
RECORD_TITLE: Chelidonine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
RECORD_TITLE: Chelidonine; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -20,7 +20,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001602.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001603.txt
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ACCESSION: MSBNK-IPB_Halle-PB001603
RECORD_TITLE: Choline; LC-ESI-QQ; MS2; CE:25 eV; M+
RECORD_TITLE: Choline; LC-ESI-QQQ; MS2; CE:25 eV; M+
DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001606.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001607.txt
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ACCESSION: MSBNK-IPB_Halle-PB001607
RECORD_TITLE: Codeine; LC-ESI-QQ; MS2; CE:38 eV; [M+H]+
RECORD_TITLE: Codeine; LC-ESI-QQQ; MS2; CE:38 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001608.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001708.txt
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ACCESSION: MSBNK-IPB_Halle-PB001708
RECORD_TITLE: Glycine-Betaine; LC-ESI-QQ; MS2; CE:20 eV; M+
RECORD_TITLE: Glycine-Betaine; LC-ESI-QQQ; MS2; CE:20 eV; M+
DATE: 2016.01.19 (Created 2008.05.30, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB001709.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002021.txt
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ACCESSION: MSBNK-IPB_Halle-PB002021
RECORD_TITLE: Noscapine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
RECORD_TITLE: Noscapine; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.05, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002101.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002102.txt
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ACCESSION: MSBNK-IPB_Halle-PB002102
RECORD_TITLE: Oxycodone; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
RECORD_TITLE: Oxycodone; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -16,7 +16,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002103.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002121.txt
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ACCESSION: MSBNK-IPB_Halle-PB002121
RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002122.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002163.txt
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ACCESSION: MSBNK-IPB_Halle-PB002163
RECORD_TITLE: Salsolinol; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+
RECORD_TITLE: Salsolinol; LC-ESI-QQQ; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.11, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002164.txt
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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
Expand All @@ -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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002201.txt
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ACCESSION: MSBNK-IPB_Halle-PB002201
RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:35 eV; M+
RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:35 eV; M+
DATE: 2016.01.19 (Created 2008.06.13, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
Expand All @@ -17,7 +17,7 @@ CH$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
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4 changes: 2 additions & 2 deletions IPB_Halle/MSBNK-IPB_Halle-PB002202.txt
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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
Expand All @@ -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
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