Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001321)

(Analysis AN002197)

Metabolite	Structure	F1	F2	F3
Glucosamine, N-acetyl- (1MEOX) (4TMS)	ME307667	0.33	0.97	1.67
Gluconic acid-6-phosphate (7TMS)	ME307664	1.69	0.65	0.69
Aminomalonic acid (2TMS)	ME307641	1.77	0.95	0.31
Glyceric acid-1,3-diphosphate (5TMS)	ME307676	1.89	0.73	0.41
Glyceric acid-2-phosphate (4TMS)	ME307677	1.08	1.78	0.14
Norvaline, DL- (2TMS)	ME307708	1.23	1.63	0.15
similar to Fructose Derivate	ME307733	1.12	1.66	0.23
Valine (1TMS)	ME307744	1.43	1.50	0.08
Fructose-1,6-diphosphate (1MEOX) (7TMS) MP	ME307657	1.51	1.34	0.17
Glyceric acid-3-phosphate (4TMS)	ME307678	1.41	1.34	0.26
Glyceric acid (3TMS)	ME307675	1.30	1.28	0.43
Galactose, 2-amino-2-deoxy-, D- (1MEOX) (5TMS)	ME307662	1.27	1.23	0.52
1-Pyrroline-3-hydroxy-5-carboxylic-acid_2TMS	ME307632	1.20	1.34	0.46
Glycolic acid (2TMS)	ME307680	1.20	1.29	0.51
Xanthine (3TMS)	ME307745	1.23	1.28	0.50
Alanine (3TMS)	ME307638	0.99	1.56	0.45
Phenylalanine (2TMS)	ME307713	1.03	1.52	0.45
Glutamic acid (3TMS)	ME307671	1.20	1.40	0.41
Isoascorbic acid (4TMS)	ME307688	1.12	1.42	0.46
Sarcosine (2TMS)	ME307727	1.09	1.49	0.42
3-Methyl-2-oxopentanoic-acid_1_1MeOX_1TMS	ME307633	0.70	1.58	0.70
Isoleucine (2TMS)	ME307690	0.74	1.67	0.58
Lyxonic acid (5TMS)	ME307699	0.44	1.33	1.21
3-Methyl-2-oxopentanoic-acid_2_1MeOX_1TMS	ME307634	0.53	1.41	1.03
Urea (2TMS)	ME307743	0.58	1.38	1.02
Lactic acid, 3-(4-hydroxyphenyl)- (3TMS)	ME307694	1.28	0.41	1.32
Lactic acid, 3-phenyl- (2TMS)	ME307695	1.24	0.30	1.47
Octadecenoic acid, 9-(E)- (1TMS)	ME307710	1.26	0.63	1.12
Citric acid, 2-methyl- (4TMS) BP	ME307652	1.26	0.55	1.20
Galactose_1_5TMS	ME307661	1.20	0.59	1.22
Butanoic acid, 3-hydroxy- (2TMS)	ME307645	1.31	0.48	1.22
Glutaric acid, 2-hydroxy- (3TMS)	ME307673	1.32	0.54	1.15
Glucose-6-phosphate (6TMS)	ME307669	1.33	0.71	0.97
Tetradecanoic acid (1TMS)	ME307738	1.30	0.68	1.03
Glutaric acid, 2-oxo- (1MEOX) (2TMS) MP	ME307674	1.40	0.55	1.06
Lactic acid (2TMS)	ME307693	1.43	0.61	0.98
Mannose-6-phosphate (1MEOX) (6TMS) BP	ME307703	1.51	0.78	0.73
similar to Cyclopentasiloxane, decamethyl	ME307731	1.47	0.79	0.76
Benzoic acid, 4-hydroxy- (2TMS)	ME307643	1.34	0.78	0.89
Orotic acid (3TMS)	ME307711	1.32	0.83	0.86
Citric acid (4TMS)	ME307651	1.39	0.83	0.80
Fructose, D- (5TMS)	ME307658	1.38	0.88	0.75
Fumaric acid (2TMS)	ME307659	1.32	0.90	0.79
Propane-1,2-diol (2TMS)	ME307717	1.33	0.91	0.77
Serine (2TMS)	ME307728	1.37	1.01	0.64
Lactulose_8TMS	ME307697	1.43	1.00	0.59
Malic acid (3TMS)	ME307700	1.44	1.02	0.56
Glucose-6-phosphate (1MEOX) (6TMS) BP	ME307668	1.55	0.88	0.59
Glutamic acid (2TMS)	ME307670	1.61	0.90	0.51
Butanoic acid, 4-amino- (3TMS)	ME307646	1.03	1.19	0.78
Glycerol-3-phosphate (4TMS)	ME307679	1.04	1.15	0.81
Cysteinyl-glycine (3TMS)	ME307653	0.97	1.27	0.76
beta-Galactopyranosyl-1,3-arabinose, D- (1MEOX) (7TMS)	ME307644	0.95	1.22	0.82
Putrescine (4TMS)	ME307719	0.92	1.20	0.87
Carbodiimide (2TMS)	ME307650	1.10	1.07	0.83
Kestose, 6- (11TMS)	ME307692	1.23	0.96	0.82
Pyridine, 2-hydroxy- (1TMS)	ME307720	1.15	0.98	0.88
Pyrophosphate (4TMS)	ME307722	1.21	1.15	0.65
Hexadecenoic-acid_2_1TMS	ME307683	1.24	1.16	0.61
Nicotinamide (1TMS)	ME307705	1.26	1.15	0.60
Octacosane, n-	ME307709	1.19	1.09	0.73
Uracil (2TMS)	ME307742	1.16	1.07	0.77
Saccharic acid (6TMS)	ME307726	1.25	1.08	0.67
Succinic-acid_methylester_1TMS	ME307737	1.27	1.06	0.68
Pyridine, 3-hydroxy- (1TMS)	ME307721	1.30	0.98	0.73
6-deoxy-Mannopyranose_4TMS	ME307635	1.22	1.02	0.77
Adenosine, 5-methylthio- (3TMS)	ME307637	1.25	1.04	0.73
Malic acid, 2-methyl- (3TMS)	ME307701	1.24	1.03	0.74
Nonanoic acid (1TMS)	ME307707	1.06	0.57	1.37
Rhamnose (1MEOX) (4TMS) MP	ME307725	0.98	0.82	1.20
Isovaleric acid, 2-oxo- (1MEOX) (1TMS) BP	ME307691	0.99	0.77	1.24
Methionine (1TMS)	ME307704	1.01	0.72	1.27
Propane-1,3-diol (2TMS)	ME307718	0.90	0.69	1.40
Tryptamine, 5-hydroxy- (3TMS)	ME307741	0.81	0.78	1.40
Arabinoheptulosonic acid enol, 3-deoxy- (5TMS) BP	ME307642	1.01	0.89	1.10
Galactose (1MEOX) (5TMS) MP	ME307660	1.05	0.90	1.06
Glucopyranose, D- (5TMS)	ME307666	1.05	0.92	1.04
Dodecanoic acid (1TMS)	ME307654	1.13	0.85	1.03
Lactose_1_xTMS	ME307696	1.10	0.90	1.00
Isocaproic acid, 2-oxo- (1MEOX) (1TMS) MP	ME307689	1.18	0.90	0.92
Hexanoic acid, 2-ethyl- (1TMS)	ME307685	1.17	0.90	0.94
similar to Pentasiloxane, dodecamethyl	ME307735	1.16	0.90	0.95
Butanoic acid, 4-hydroxy- (2TMS)	ME307647	1.18	0.82	1.01
Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	ME307724	1.20	0.84	0.97
Limonene, (+/-)-	ME307698	0.75	1.19	1.05
Hexanoic acid (1TMS)	ME307684	1.04	1.06	0.90
Phosphoric acid monomethyl ester (2TMS)	ME307716	1.05	1.03	0.92
Glutamine, DL- (3TMS)	ME307672	1.03	1.01	0.96
Mannitol (6TMS)	ME307702	1.05	0.98	0.97
Siloxane	ME307729	1.07	0.99	0.94
Pyruvic acid (1MEOX) (1TMS)	ME307723	0.98	1.07	0.95
similar to Lumichrome (2MeOX)	ME307734	0.95	1.07	0.98
Alanine, beta- (3TMS)	ME307639	0.95	1.06	0.98
similar to Ditertbutylphenol (1TMS)	ME307732	0.95	1.06	0.98
Succinic acid (2TMS)	ME307736	0.99	0.98	1.04
Histamine (2TMS)	ME307686	0.99	1.02	1.00
Glucopyranose [-H20] (4TMS)	ME307665	0.96	1.03	1.01
Hexadecanoic acid (1TMS)	ME307682	0.96	1.02	1.02
Tridecane, n-	ME307740	0.85	0.98	1.16
Trehalose, alpha,alpha^-, D- (8TMS)	ME307739	0.94	0.95	1.10
Gluconic acid-1,5-lactone (4TMS)	ME307663	0.92	0.94	1.13
Heneicosane, n-	ME307681	0.90	0.97	1.13
Phenylpyruvic acid (1MEOX) (1TMS) MP	ME307714	0.90	0.95	1.15
Nonadecane	ME307706	0.84	1.12	1.04
Phosphoric acid (3TMS)	ME307715	0.86	1.15	0.99
Hydroxylamine (3TMS)	ME307687	0.82	1.08	1.09
Alanyl-alanine (1TMS)	ME307640	0.85	1.07	1.07
similar to Cyclohexasiloxane, dodecamethyl	ME307730	0.84	1.06	1.09
Butylamine_2TMS	ME307648	0.92	1.05	1.03
Butyro-1,4-lactam (1TMS)	ME307649	0.91	1.07	1.02
Eicosane, n-	ME307655	0.90	1.06	1.04
Eicosanoic acid (1TMS)	ME307656	0.89	1.06	1.04
Acetic acid, aminooxy- (3TMS)	ME307636	0.88	1.06	1.05
Pentadecane, n-	ME307712	0.87	1.06	1.06

Factors:

F1	Time:-
F2	Time:24 h
F3	Time:48 h

Data matrix