Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002170)

Other NEGATIVE ION MODE (Analysis AN003556)

Metabolite	Structure	F1	F2	F3	F4	F5
Methyl sulfate	ME529916	1.31	0.94	0.56	NA	1.25
F6P	ME529879	NA	1.07	NA	1.36	0.75
2-Hydroxypentanoate	ME530017	0.88	1.54	0.55	1.00	1.02
N-Acetylglucosamine 1-phosphate	ME529922	4.16	0.58	NA	0.40	0.31
Glycerate	ME529892	0.54	1.45	0.65	1.39	0.96
3-Phenyllactate	ME530039	0.09	1.32	NA	0.94	0.94
4-Methylthio-2-oxobutyrate	ME530046	0.63	1.30	0.49	1.07	1.28
3-Hydroxypropionate	ME530034	0.80	1.03	0.60	0.66	1.31
3-(4-Hydroxyphenyl)propionate	ME530029	0.24	1.84	0.14	0.20	2.59
3-Methylbutanoate	ME530037	1.34	0.72	0.90	0.75	1.30
2-Hydroxyglutarate	ME530014	0.35	0.93	0.29	1.92	1.51
Malate	ME529912	0.15	1.08	0.44	1.93	1.39
2-Hydroxybutyrate	ME530013	0.61	1.36	NA	1.03	0.81
G1P	ME529883	NA	1.76	0.15	0.88	0.65
2-Oxoisopentanoate	ME530023	0.53	1.44	0.66	0.92	1.34
2-Oxoglutarate	ME530022	0.70	1.41	0.57	1.00	1.24
3-Hydroxybutyrate	ME530033	0.35	1.84	0.30	0.33	1.86
Pantothenate	ME529946	0.52	1.29	0.54	1.24	1.42
2,3-Pyridinedicarboxylate	ME530004	0.85	1.56	0.71	0.85	1.03
Isethionate	ME529906	1.22	1.44	0.79	1.12	0.43
Dihydroorotate	ME529868	0.71	0.78	0.42	1.31	1.20
Itaconate	ME529909	0.59	1.43	NA	1.26	0.91
N-Acetylneuraminate	ME529928	0.64	2.05	0.72	1.15	0.45
dTMP	ME529873	0.57	0.60	1.14	1.24	NA
Quinate	ME529966	1.10	0.76	1.50	0.94	0.41
Malonate	ME529913	0.38	2.27	0.61	0.45	1.13
N-Acetylaspartate	ME529920	0.89	1.62	0.63	0.56	1.29
Pyruvate	ME529965	1.09	1.07	0.65	1.04	1.13
Phenylpyruvate	ME529953	0.70	1.35	0.42	1.10	1.35
Phthalate	ME529955	1.22	2.21	0.37	0.41	0.60
Sebacate	ME529972	0.38	2.74	0.26	0.22	1.39
p-Hydroxybenzoate	ME529956	0.94	1.51	0.68	0.74	1.22
Fumarate	ME529882	0.36	1.00	0.64	1.60	1.40
N-Acetylglutamate	ME529924	0.80	1.27	0.66	1.05	1.22
CMP	ME529848	0.49	0.40	1.49	1.16	NA
2-Isopropylmalate	ME530019	NA	1.19	NA	0.99	0.76
Glucuronate	ME530053	0.21	2.43	0.52	0.39	1.45
Pelargonate	ME529948	1.61	0.79	0.95	0.80	0.59
3-Hydroxy-3-methylglutarate	ME530032	0.18	2.37	0.11	0.22	0.67
Citraconate	ME529845	1.23	0.71	1.25	0.94	1.07
Pentanoate	ME529949	1.41	0.52	1.06	0.85	1.16
N-Acetylphenylalanine	ME529929	NA	1.26	NA	0.71	0.89
Glycocholate	ME529894	1.16	0.36	0.80	1.29	NA
Butyrate	ME529835	0.53	1.43	0.71	0.97	1.35
cis-Aconitate	ME529844	NA	1.42	1.12	NA	0.66
Pimelate	ME529958	0.74	1.35	NA	0.97	0.75
Isocitrate	ME529908	NA	1.29	0.82	NA	0.87
Dodecanoate	ME529871	1.48	0.67	1.15	0.61	0.32
FAD	ME529880	0.76	1.15	NA	0.92	1.09
Cysteine S-sulfate	ME529854	1.00	0.27	3.06	0.52	0.16
Propionate	ME529960	0.55	0.92	0.73	1.64	1.16
Cysteate	ME529853	0.79	0.92	1.28	0.59	1.42
Hexanoate	ME529900	1.15	0.84	1.13	1.09	0.80
Azelate	ME529829	0.49	2.52	0.46	0.27	1.25
Glutarate	ME529891	0.85	1.35	0.67	0.82	1.30
4-Acetylbutyrate	ME530042	1.37	0.89	0.83	0.91	0.98
Glycerophosphate	ME529893	0.98	1.30	1.07	0.91	0.76
N-Formylmethionine	ME529936	0.81	1.20	0.66	0.64	1.64
Nicotinate	ME529937	0.45	1.36	0.43	1.48	1.27
Carbamoylaspartate	ME529837	0.83	0.82	0.46	1.54	1.27
N-Acetylmuramate	ME529927	0.24	1.19	0.19	1.52	1.85
Dodecanedioate	ME529870	0.14	2.36	0.11	0.11	2.29
N-Acetylleucine	ME529925	0.81	0.89	0.52	0.99	1.69
N-Acetylmethionine	ME529926	0.50	1.23	0.60	1.20	1.48
6-Hydroxyhexanoate	ME530050	1.30	NA	0.80	0.71	NA
Glycolate	ME529895	0.71	1.30	0.97	1.01	1.01
Cholate	ME529842	1.80	0.42	1.34	1.08	0.36
Digalacturonate	ME529867	NA	0.53	1.84	0.49	0.76
4-Methyl-2-oxopentanoate	ME530045	0.46	1.48	0.64	0.94	1.47
DCA	ME529859	1.52	0.38	1.96	0.68	0.46
Decanoate	ME529864	1.43	0.59	1.29	0.81	0.71
Citramalate	ME529846	0.31	0.97	0.10	0.45	2.19
Lactate	ME529911	0.60	2.34	0.53	0.92	0.61
Orotate	ME529943	0.62	1.25	0.41	1.33	1.15
Citrate	ME529847	0.17	2.02	0.48	0.24	1.88
G6P	ME529885	NA	1.27	0.25	1.47	0.60

Factors:

F1	Organ:Cecum \| Treatment:SPF \| Diet:Fiber-free
F2	Organ:Cecum \| Treatment:SPF \| Diet:Fiber-rich
F3	Organ:Cecum \| Treatment:SPF \| Diet:Fiber-supplemented
F4	Organ:Cecum \| Treatment:SPF \| Diet:Inulin-supplemented
F5	Organ:Cecum \| Treatment:SPF \| Diet:LabDiet

Data matrix