Mercurial > repos > computational-metabolomics > sirius_csifingerid
comparison test-data/canopus_ML006801.tsv @ 3:4cbfd3d0a4c4 draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit e4bc02f97a21da7556d1b76e5338ede3a9031fac"
| author | computational-metabolomics |
|---|---|
| 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 L-thialysine; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+ [M+H]+ L-thialysine; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+ C5H12N2O2S [M+H]+ L-alpha-amino acids Amino acids and derivatives Amino acids, peptides, and analogues Carboxylic acids and derivatives Organic acids and derivatives Organic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Monocarboxylic acids and derivatives; Thioethers; Carboxylic acids; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Organic oxides; L-alpha-amino acids; Hydrocarbon derivatives; Amino acids; Cysteine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities |