Mercurial > repos > computational-metabolomics > sirius_csifingerid

annotate test-data/canopus_CCMSLIB00000578155_result.tsv @ 8:7b9c17738db8 draft

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"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 3d2543fdc71938abcb9c2ef5e187b122c49b80ea"
author computational-metabolomics
date Fri, 11 Feb 2022 10:05:21 +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-6-PHOSPHATE [M-H]- D-GLUCOSE-6-PHOSPHATE C6H13O9P [M-H]- Hexose phosphates Monosaccharides Carbohydrates and carbohydrate conjugates Organooxygen compounds Organic oxygen compounds Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Organic acids and derivatives; Organooxygen compounds; Organic phosphoric acids and derivatives; Phosphate esters; Hemiacetals; Hexoses; Monosaccharides; Monosaccharide phosphates; Secondary alcohols; Oxanes; Hexose phosphates; Polyols; Alkyl phosphates; Monoalkyl phosphates; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities