Mercurial > repos > computational-metabolomics > sirius_csifingerid
comparison test-data/canopus_RP022611_result.tsv @ 3:4cbfd3d0a4c4 draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit e4bc02f97a21da7556d1b76e5338ede3a9031fac"
| author | computational-metabolomics |
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| date | Wed, 02 Feb 2022 17:29:46 +0000 |
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| 2:856b3761277d | 3:4cbfd3d0a4c4 |
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| 1 name adduct name molecularFormula adduct most specific class level 5 subclass class superclass all classifications | |
| 2 D-Glucose; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]- [M-H]- D-Glucose; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]- C6H12O6 [M-H]- Hexoses Monosaccharides Carbohydrates and carbohydrate conjugates Organooxygen compounds Organic oxygen compounds Organic compounds; Carbohydrates and carbohydrate conjugates; Aldehydes; Alcohols and polyols; Primary alcohols; Organooxygen compounds; Hexoses; Monosaccharides; Secondary alcohols; Carbonyl compounds; Polyols; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities |