Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004291)

HILIC NEGATIVE ION MODE (Analysis AN007136)

Metabolite	Structure	F1	F2	F3
2-Aceto-2-hydroxybutanoic acid	ME1165530	0.98	1.00	1.02
2-Hydroxyethanesulfonate	ME1165628	1.11	0.98	0.93
2-amino-2-deoxy-isochorismate	ME1165486	1.00	0.89	1.09
alpha-Irone	ME1165545	1.01	0.95	1.04
Ala/Phe/Phe/Met/Gln	ME1165565	1.05	0.89	1.05
2-(4-sulfophenyl)decane	ME1165426	0.85	1.09	1.05
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid	ME1165580	0.98	1.07	0.96
2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid	ME1165543	0.99	0.99	1.02
2-Hydroxyhexadecanoic acid	ME1165637	1.20	0.84	0.97
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid	ME1165589	1.02	1.00	0.98
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine	ME1165552	1.00	0.98	1.02
2,5-Dioxopentanoate	ME1165579	1.03	0.95	1.01
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid	ME1165555	0.98	1.03	0.99
aminopyrrolnitrin	ME1165590	1.00	1.05	0.96
Arabinonate	ME1165608	1.12	0.86	1.02
2-hydroxysuccinamate	ME1165454	0.98	0.85	1.13
6-Butyryl-5,7-dihydroxy-8-(3^,3^-dimethylallyl)-4-phenylcoumarin	ME1165431	0.95	0.87	1.15
3,5-dioxohexanoate	ME1165601	1.06	0.97	0.98
Ala/Leu/Thr/Ala	ME1165576	1.03	0.95	1.02
(3S,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoate	ME1165528	1.00	0.93	1.05
5-deoxy-D-glucuronate	ME1165512	1.01	0.88	1.08
Ala/Asp/Cys/Tyr	ME1165419	0.87	1.03	1.08
6-Phosphogluconic acid	ME1165381	0.85	0.84	1.25
Acetylcarnitine	ME1165623	1.05	1.06	0.92
3-Propylmalate	ME1165497	0.98	0.95	1.06
2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxyprop-2-enoate	ME1165544	1.04	0.88	1.07
a phenothiazine	ME1165634	1.09	1.04	0.90
1-(eicosatetraenoyl)-sn-glycero-3-phosphoserine	ME1165369	0.74	1.00	1.20
4-Hydroxyphenylacetaldehyde-oxime	ME1165605	1.11	0.87	1.01
1-[(3-Carboxypropyl)amino]-1-deoxyfructose	ME1165655	1.19	0.81	1.00
Alanyl-Serine	ME1165367	0.77	0.90	1.26
1-deoxy-1-morpholino-D-fructose	ME1165592	1.04	0.98	0.99
Alanyl-Proline	ME1165418	1.12	0.85	1.05
2-Hydroxystearic acid	ME1165463	0.99	0.87	1.12
19-dimethylarsinoyl-nonadecanoic acid	ME1165498	0.97	0.96	1.06
6,7-Dihydroxy-5,4^-dimethoxy-flavylium	ME1165450	0.96	0.91	1.11
1-Stearoylglycerophosphoserine	ME1165388	0.83	0.92	1.20
2-Hydroxy-3-(phosphonatooxy)propanoate	ME1165390	0.84	0.91	1.20
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	ME1165527	0.99	0.95	1.04
1-Oleoylglycerophosphoserine	ME1165363	0.92	0.84	1.18
3,3^-Thiobispropanoic acid	ME1165360	0.66	1.13	1.17
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid	ME1165494	1.01	0.87	1.10
1-amino-2-phosphorylethylphosphonate	ME1165430	0.99	0.74	1.21
1-(sn-Glycero-3-phospho)-myo-inositol	ME1165386	0.86	0.82	1.25
1-Aminocyclopropanecarboxylic acid	ME1165597	1.06	0.96	0.99
Arachidic acid	ME1165526	0.99	0.97	1.03
Ajoene	ME1165656	1.25	0.97	0.82
Arg/Lys/Thr/Asp	ME1165479	1.00	0.87	1.11
Ala/Met/Asp/Tyr	ME1165428	0.89	0.99	1.09
(2-aminobenzoyl)acetate	ME1165482	0.96	0.96	1.06
6-Hydroxy-R-acenocoumarol	ME1165371	0.90	0.58	1.42
Acetoacetic acid	ME1165604	1.04	1.01	0.95
11,14,17-Eicosatrienoic acid	ME1165540	0.96	1.05	0.99
ADP	ME1165491	1.01	0.87	1.10
Ala/Glu/Ile/Pro/Thr	ME1165365	0.87	0.96	1.11
Ala/Asp/Ile/Ile/Gln	ME1165501	0.99	0.92	1.07
1-Stearoylglycerophosphoinositol	ME1165397	0.99	0.97	1.03
Ala/Lys/Leu/Asn/Thr	ME1165641	1.09	1.08	0.87
Ala/Pro/Gln/Gln/Arg	ME1165449	0.95	0.92	1.10
Ala/Lys/Ala/Ala	ME1165372	0.98	0.81	1.16
Ala/Lys/Lys/Val/Trp	ME1165416	0.96	0.78	1.21
Ala/Ala/Ala/Ser	ME1165630	1.18	0.83	0.99
3-thiodimethylarsenopropanoic acid	ME1165632	1.14	0.91	0.96
4-Hydroxy-2-oxopentanoate	ME1165639	1.16	0.92	0.93
Ala/Ile/Ile/Ile/Val	ME1165581	1.06	0.89	1.04
1,2-Di-(octadecadienoyl)-sn-glycero-3-phosphate	ME1165532	0.94	1.08	0.98
2(alpha-D-Mannosyl)-D-glycerate	ME1165571	1.02	0.96	1.01
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	ME1165542	0.97	1.03	1.00
Alpha-Linolenic acid	ME1165444	0.95	0.90	1.11
ancymidol	ME1165470	0.96	0.94	1.08
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	ME1165607	1.07	0.95	0.98
15(R)-hydroperoxy-EPE	ME1165436	0.93	0.92	1.12
2-dehydro-3-deoxy-D-fuconate	ME1165643	1.12	1.04	0.87
2-Keto-glutaramic acid	ME1165616	1.04	1.05	0.93
3-Hydroxynonanoic acid	ME1165651	1.20	0.99	0.85
2^-azido-2^-deoxyuridine-5^-diphosphate	ME1165547	1.04	0.88	1.07
2,3,4,5,6,7-Hexahydroxyheptanoic acid	ME1165613	1.16	0.77	1.05
2-Dodecylbenzenesulfonic acid	ME1165415	0.84	1.08	1.06
2-Aminobenzoic acid	ME1165609	1.04	1.03	0.95
12a-Hydroxyisomillettone	ME1165648	1.23	0.88	0.91
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone	ME1165441	0.91	0.99	1.08
1,8-Diazacyclotetradecane-2,9-dione	ME1165649	1.32	1.11	0.72
2-Hydroxyglutaric acid	ME1165611	1.10	0.90	1.00
2-isocapryloyl-hydroxymethyl--butyrolactone	ME1165563	0.93	1.16	0.93
3-Deoxy-D-manno-octulosonate 8-phosphate	ME1165658	1.42	0.85	0.79

Factors:

F1	Sample source:iRBC \| factor:DMSO
F2	Sample source:iRBC \| factor:WEHI-024
F3	Sample source:iRBC \| factor:WEHI-601

Data matrix