view test-data/variableMetadata.out @ 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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variableMetadata	msiLevel	hmdb	chemicalClass	gender_tier_S
(2-methoxyethoxy)propanoic acid isomer	2		Organi	
(gamma)Glu-Leu/Ile	2		AA-pep	
1-Methyluric acid	1	HMDB03099	AroHeP:Xenobi	
1-Methylxanthine	1	HMDB10738	AroHeP	
1,3-Dimethyluric acid	1	HMDB01857	AroHeP	
1,7-Dimethyluric acid	1	HMDB11103	AroHeP	
2-acetamido-4-methylphenyl acetate	2		AroHoM	
2-Aminoadipic acid	1	HMDB00510	AA-pep	
2-Hydroxybenzyl alcohol	1	HMDB59709	AroHoM	
2-Isopropylmalic acid	1	HMDB00402	Organi	
2-Methylhippuric acid	1	HMDB11723	AA-pep:AcyGly	
2,2-Dimethylglutaric acid	1		Lipids	
3-Hydroxybenzyl alcohol	1	HMDB59712	AroHoM	
3-Hydroxyphenylacetic acid	1	HMDB00440	AroHoM	
3-Indole carboxylic acid glucuronide	2	HMDB13189	Carboh	
3-Methyl-2-oxovaleric acid	1	HMDB00491	Lipids	
3-Methylcrotonylglycine	1	HMDB00459	AA-pep:AcyGly	
3,3-Dimethylglutaric acid	1	HMDB02441	Lipids	
3,4-Dihydroxybenzeneacetic acid	1	HMDB01336	AroHoM	
3,5-dihydroxybenzoic acid/3,4-dihydroxybenzoic acid	2		AroHoM	
3,7-Dimethyluric acid	1	HMDB01982	AroHeP	
4-Acetamidobutanoic acid isomer 2	2		Lipids	
4-Acetamidobutanoic acid isomer 3	2		Lipids	
4-Hydroxybenzoic acid	1	HMDB00500	AroHoM	
4-Methylhippuric acid/3-Methylhippuric acid	1		AA-pep:AcyGly	
5-Hydroxyindoleacetic acid	1	HMDB00763	AroHeP	
5-Sulfosalicylic acid	1	HMDB11725	AroHoM	
6-(2-hydroxyethoxy)-6-oxohexanoic acid	2		Organi	
6-(carboxymethoxy)-hexanoic acid	2		Organi	
9-Methylxanthine	2	HMDB59716	AroHeP	
Acetaminophen glucuronide	1	HMDB10316	Carboh	
Acetylphenylalanine	1	HMDB00512	AA-pep	plsda
alpha-N-Phenylacetyl-glutamine	1	HMDB06344	AA-pep	plsda
Aminosalicyluric acid	2		AA-pep:AcyGly	
Asp-Leu/Ile isomer 1	2		AA-pep	
Asp-Leu/Ile isomer 2	2		AA-pep	
Aspartic acid	1	HMDB00191	AA-pep	
Azelaic acid	1	HMDB00784	Organi	
Benzoic acid isomer	2		AroHoM	
Chenodeoxycholic acid isomer	2		Lipids:Steroi	
Cinnamoylglycine	1	HMDB11621	AA-pep:AcyGly	
Citric acid	1	HMDB00094	Organi	plsda
Dehydroepiandrosterone 3-glucuronide	1	HMDB10348	Lipids:Steroi	
Dehydroepiandrosterone sulfate	1	HMDB01032	Lipids:Steroi	
Deoxyhexose	1	HMDB00849	Carboh	
Dimethylguanosine	2	HMDB04824	Nucleo	
FMNH2	2	HMDB01142	AroHeP	
Fumaric acid	1	HMDB00134	Lipids	
Gentisic acid	1	HMDB00152	AroHoM	
Glu-Val	2	HMDB59717	AA-pep	
Gluconic acid and/or isomers	2		Carboh	plsda
Glucuronic acid and/or isomers	2		Carboh	plsda
Glyceric acid	1	HMDB00139	Carboh	
Glycocholic acid isomer 2	2		Lipids:Steroi	
Glycocholic acid isomer 3	2		Lipids:Steroi	
Heptylmalonic acid	2	HMDB59719	Lipids	
Hexanoylglycine	1	HMDB00701	AA-pep:AcyGly	
Hippuric acid	1	HMDB00714	AA-pep:AcyGly	plsda
Hydroxybenzyl alcohol isomer	2		AroHeM	
Hydroxyphenyllactic acid	1	HMDB00755	AroHoM	
Hydroxysuberic acid isomer 1	2		Organi	
Hydroxysuberic acid isomer 2	2		Organi	
Isovalerylalanine isomer	2		AA-pep	
Ketoleucine	1	HMDB00695	Lipids	
Kynurenic acid	1	HMDB00715	AA-pep	
Malic acid	1	HMDB00156	Organi	plsda
Methoxysalicylic acid isomer	2		AroHoM	
Methyl (hydroxymethyl)pyrrolidine-carboxylate/Methyl (hydroxy)piperidine-carboxylate	2		AA-pep	
Methylinosine	2		Nucleo	
Mevalonic acid isomer 1	2		Organi	
Monoethyl phthalate	2	HMDB02120	AroHoM:Xenobi	
N-Acetyl-aspartic acid	1	HMDB00812	AA-pep	
N-Acetylisoleucine	1		AA-pep	
N-Acetylleucine	1	HMDB11756	AA-pep	
N-Acetyltryptophan	1	HMDB13713	AA-pep	
N-Acetyltryptophan isomer 3	2		AA-pep	
N2-Acetylaminoadipic acid	2		AA-pep	
N4-Acetylcytidine	1	HMDB05923	Nucleo	
Nicotinuric acid isomer	2		AA-pep	
Ortho-Hydroxyphenylacetic acid	1	HMDB00669	AroHoM	
Oxoglutaric acid	2	HMDB00208	Organi	plsda|randomforest|svm
p-Anisic acid	1	HMDB01101	AroHoM	plsda|randomforest|svm
p-Hydroxyhippuric acid	2	HMDB13678	AA-pep:AcyGly	
p-Hydroxymandelic acid	1	HMDB00822	AroHoM	
p-Hydroxyphenylacetic acid	1	HMDB00020	AroHoM	
Pantothenic acid	1	HMDB00210	AliAcy	plsda
Pentose	2		Carboh	
Phe-Tyr-Asp (and isomers)	2		AA-pep	plsda
Porphobilinogen	1	HMDB00245	Organi	
Pyridoxic acid isomer 1	2		AroHeM	
Pyridylacetylglycine	2	HMDB59723	AA-pep:AcyGly:Xenobi	
Pyrocatechol sulfate	2	HMDB59724	AroHoM	
Pyroglutamic acid	1	HMDB00267	AliHeM	
Pyrroledicarboxylic acid	2		AroHeM	
Pyruvic acid	1	HMDB00243	Organi	
Quinic acid	1	HMDB03072	AliHoM	
Salicylic acid	1	HMDB01895	AroHoM:Xenobi	
Sebacic acid	1	HMDB00792	Organi	
Suberic acid	1	HMDB00893	Organi	
Sulfosalicylic acid isomer	2		AroHoM	
Taurine	1	HMDB00251	Organi	
Testosterone glucuronide	2	HMDB03193	Lipids:Steroi	plsda|randomforest|svm
Tetrahydrohippuric acid	2		AA-pep:AcyGly	
Threo-3-Phenylserine	1	HMDB02184	AA-pep	
Threonic acid/Erythronic acid	2		Carboh	plsda
Tryptophan	1	HMDB00929	AA-pep	
Valerylglycine isomer 1	2		AA-pep:AcyGly	
Valerylglycine isomer 2	2		AA-pep:AcyGly	
Xanthosine	1	HMDB00299	Nucleo