Mercurial > repos > computational-metabolomics > sirius_csifingerid

annotate test-data/canopus_RP022611_result.tsv @ 9:8dac4cef0a22 draft default tip

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"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit c2fc3de462ef4bd1a225c41624b094c3b5874736"
author computational-metabolomics
date Wed, 16 Feb 2022 16:11:55 +0000
parents 4cbfd3d0a4c4
children
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3
4cbfd3d0a4c4 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit e4bc02f97a21da7556d1b76e5338ede3a9031fac"
computational-metabolomics
parents:
diff changeset
1 name adduct name molecularFormula adduct most specific class level 5 subclass class superclass all classifications
4cbfd3d0a4c4 "planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit e4bc02f97a21da7556d1b76e5338ede3a9031fac"
computational-metabolomics
parents:
diff changeset
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