comparison tests/sacurine/variableMetadata.tsv @ 0:48e4be935243 draft

planemo upload for repository https://github.com/workflow4metabolomics/biosigner.git commit b8af709c9fd6ed283fc4e4249dcf692556927b2d
author ethevenot
date Wed, 27 Jul 2016 11:40:20 -0400
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-1:000000000000 0:48e4be935243
1 msiLevel hmdb chemicalClass
2 (2-methoxyethoxy)propanoic acid isomer 2 Organi
3 (gamma)Glu-Leu/Ile 2 AA-pep
4 1-Methyluric acid 1 HMDB03099 AroHeP:Xenobi
5 1-Methylxanthine 1 HMDB10738 AroHeP
6 1,3-Dimethyluric acid 1 HMDB01857 AroHeP
7 1,7-Dimethyluric acid 1 HMDB11103 AroHeP
8 2-acetamido-4-methylphenyl acetate 2 AroHoM
9 2-Aminoadipic acid 1 HMDB00510 AA-pep
10 2-Hydroxybenzyl alcohol 1 HMDB59709 AroHoM
11 2-Isopropylmalic acid 1 HMDB00402 Organi
12 2-Methylhippuric acid 1 HMDB11723 AA-pep:AcyGly
13 2,2-Dimethylglutaric acid 1 Lipids
14 3-Hydroxybenzyl alcohol 1 HMDB59712 AroHoM
15 3-Hydroxyphenylacetic acid 1 HMDB00440 AroHoM
16 3-Indole carboxylic acid glucuronide 2 HMDB13189 Carboh
17 3-Methyl-2-oxovaleric acid 1 HMDB00491 Lipids
18 3-Methylcrotonylglycine 1 HMDB00459 AA-pep:AcyGly
19 3,3-Dimethylglutaric acid 1 HMDB02441 Lipids
20 3,4-Dihydroxybenzeneacetic acid 1 HMDB01336 AroHoM
21 3,5-dihydroxybenzoic acid/3,4-dihydroxybenzoic acid 2 AroHoM
22 3,7-Dimethyluric acid 1 HMDB01982 AroHeP
23 4-Acetamidobutanoic acid isomer 2 2 Lipids
24 4-Acetamidobutanoic acid isomer 3 2 Lipids
25 4-Hydroxybenzoic acid 1 HMDB00500 AroHoM
26 4-Methylhippuric acid/3-Methylhippuric acid 1 AA-pep:AcyGly
27 5-Hydroxyindoleacetic acid 1 HMDB00763 AroHeP
28 5-Sulfosalicylic acid 1 HMDB11725 AroHoM
29 6-(2-hydroxyethoxy)-6-oxohexanoic acid 2 Organi
30 6-(carboxymethoxy)-hexanoic acid 2 Organi
31 9-Methylxanthine 2 HMDB59716 AroHeP
32 Acetaminophen glucuronide 1 HMDB10316 Carboh
33 Acetylphenylalanine 1 HMDB00512 AA-pep
34 alpha-N-Phenylacetyl-glutamine 1 HMDB06344 AA-pep
35 Aminosalicyluric acid 2 AA-pep:AcyGly
36 Asp-Leu/Ile isomer 1 2 AA-pep
37 Asp-Leu/Ile isomer 2 2 AA-pep
38 Aspartic acid 1 HMDB00191 AA-pep
39 Azelaic acid 1 HMDB00784 Organi
40 Benzoic acid isomer 2 AroHoM
41 Chenodeoxycholic acid isomer 2 Lipids:Steroi
42 Cinnamoylglycine 1 HMDB11621 AA-pep:AcyGly
43 Citric acid 1 HMDB00094 Organi
44 Dehydroepiandrosterone 3-glucuronide 1 HMDB10348 Lipids:Steroi
45 Dehydroepiandrosterone sulfate 1 HMDB01032 Lipids:Steroi
46 Deoxyhexose 1 HMDB00849 Carboh
47 Dimethylguanosine 2 HMDB04824 Nucleo
48 FMNH2 2 HMDB01142 AroHeP
49 Fumaric acid 1 HMDB00134 Lipids
50 Gentisic acid 1 HMDB00152 AroHoM
51 Glu-Val 2 HMDB59717 AA-pep
52 Gluconic acid and/or isomers 2 Carboh
53 Glucuronic acid and/or isomers 2 Carboh
54 Glyceric acid 1 HMDB00139 Carboh
55 Glycocholic acid isomer 2 2 Lipids:Steroi
56 Glycocholic acid isomer 3 2 Lipids:Steroi
57 Heptylmalonic acid 2 HMDB59719 Lipids
58 Hexanoylglycine 1 HMDB00701 AA-pep:AcyGly
59 Hippuric acid 1 HMDB00714 AA-pep:AcyGly
60 Hydroxybenzyl alcohol isomer 2 AroHeM
61 Hydroxyphenyllactic acid 1 HMDB00755 AroHoM
62 Hydroxysuberic acid isomer 1 2 Organi
63 Hydroxysuberic acid isomer 2 2 Organi
64 Isovalerylalanine isomer 2 AA-pep
65 Ketoleucine 1 HMDB00695 Lipids
66 Kynurenic acid 1 HMDB00715 AA-pep
67 Malic acid 1 HMDB00156 Organi
68 Methoxysalicylic acid isomer 2 AroHoM
69 Methyl (hydroxymethyl)pyrrolidine-carboxylate/Methyl (hydroxy)piperidine-carboxylate 2 AA-pep
70 Methylinosine 2 Nucleo
71 Mevalonic acid isomer 1 2 Organi
72 Monoethyl phthalate 2 HMDB02120 AroHoM:Xenobi
73 N-Acetyl-aspartic acid 1 HMDB00812 AA-pep
74 N-Acetylisoleucine 1 AA-pep
75 N-Acetylleucine 1 HMDB11756 AA-pep
76 N-Acetyltryptophan 1 HMDB13713 AA-pep
77 N-Acetyltryptophan isomer 3 2 AA-pep
78 N2-Acetylaminoadipic acid 2 AA-pep
79 N4-Acetylcytidine 1 HMDB05923 Nucleo
80 Nicotinuric acid isomer 2 AA-pep
81 Ortho-Hydroxyphenylacetic acid 1 HMDB00669 AroHoM
82 Oxoglutaric acid 2 HMDB00208 Organi
83 p-Anisic acid 1 HMDB01101 AroHoM
84 p-Hydroxyhippuric acid 2 HMDB13678 AA-pep:AcyGly
85 p-Hydroxymandelic acid 1 HMDB00822 AroHoM
86 p-Hydroxyphenylacetic acid 1 HMDB00020 AroHoM
87 Pantothenic acid 1 HMDB00210 AliAcy
88 Pentose 2 Carboh
89 Phe-Tyr-Asp (and isomers) 2 AA-pep
90 Porphobilinogen 1 HMDB00245 Organi
91 Pyridoxic acid isomer 1 2 AroHeM
92 Pyridylacetylglycine 2 HMDB59723 AA-pep:AcyGly:Xenobi
93 Pyrocatechol sulfate 2 HMDB59724 AroHoM
94 Pyroglutamic acid 1 HMDB00267 AliHeM
95 Pyrroledicarboxylic acid 2 AroHeM
96 Pyruvic acid 1 HMDB00243 Organi
97 Quinic acid 1 HMDB03072 AliHoM
98 Salicylic acid 1 HMDB01895 AroHoM:Xenobi
99 Sebacic acid 1 HMDB00792 Organi
100 Suberic acid 1 HMDB00893 Organi
101 Sulfosalicylic acid isomer 2 AroHoM
102 Taurine 1 HMDB00251 Organi
103 Testosterone glucuronide 2 HMDB03193 Lipids:Steroi
104 Tetrahydrohippuric acid 2 AA-pep:AcyGly
105 Threo-3-Phenylserine 1 HMDB02184 AA-pep
106 Threonic acid/Erythronic acid 2 Carboh
107 Tryptophan 1 HMDB00929 AA-pep
108 Valerylglycine isomer 1 2 AA-pep:AcyGly
109 Valerylglycine isomer 2 2 AA-pep:AcyGly
110 Xanthosine 1 HMDB00299 Nucleo