Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002110)

Reversed phase POSITIVE ION MODE (Analysis AN003453)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
4-Acetamidobutanoate	ME515077	0.13	0.24	0.44	2.81	0.99	0.99
gamma-L-Glutamyl-D-alanine	ME515065	0.03	0.01	0.09	0.24	1.71	1.28
g-Oxalo-crotonate	ME515089	0.81	0.23	0.63	0.27	2.11	0.28
acyl-C6-DC	ME515107	0.39	0.26	2.30	0.52	0.89	1.01
Serotonin	ME515092	0.01	2.21	0.52	0.37	0.91	1.52
Sphingosine	ME515094	0.54	2.87	1.00	1.62	0.69	0.94
acyl-C5-OH	ME515105	0.54	1.69	0.68	1.36	1.17	0.89
Dopamine	ME515091	0.32	2.30	1.06	0.84	1.06	0.93
Spermidine	ME515073	1.41	0.59	0.61	0.30	1.06	1.21
Spermine	ME515074	1.38	0.11	0.49	0.20	1.31	0.94
L-arginine	ME515045	1.29	0.32	0.53	0.96	1.17	1.06
L-gamma-Glutamyl-L-hypoglycin	ME515067	0.72	0.20	0.19	1.18	1.28	1.11
acyl-C16:1 (Hexadecenoyl-carnitine)	ME515117	1.42	0.65	0.44	1.55	1.13	0.87
Thymidine	ME515056	1.34	NA	0.03	1.59	1.10	0.97
acyl-C4-OH (Hydroxybutyrylcarnitine)	ME515101	1.40	2.27	0.60	1.03	0.92	0.93
acyl-C8:1 (octenoyl-l-carnitine)	ME515109	1.59	1.73	0.90	0.71	1.12	0.76
acyl-C12:1 (O-dodecenoyl-carnitine)	ME515113	1.76	1.51	0.74	1.28	0.84	0.92
Pantothenate	ME515081	1.77	1.43	1.13	1.21	0.71	0.93
Anthranilate	ME515087	0.22	1.15	1.10	1.98	0.90	0.92
Biliverdin	ME515122	0.48	0.95	0.93	0.49	1.53	0.82
acyl-C18:1 (O-octadecenoyl-L-carnitine)	ME515119	0.92	1.69	0.57	0.81	0.87	1.27
acyl-C18:2 (Linoleoyl-CoA)	ME515120	0.52	1.32	0.75	0.80	0.79	1.44
acyl-C20:4	ME515121	0.50	0.88	0.64	0.74	0.65	1.70
gamma-Glutamyl-gamma-aminobutyrate	ME515066	0.76	0.86	1.76	1.00	0.69	1.07
Ectoine	ME515093	0.88	1.36	1.50	1.14	0.68	1.05
trans-4-Hydroxy-L-proline	ME515080	0.55	1.23	1.57	0.83	0.68	1.22
acyl-C14:1 (Tetradecenoyl Carnitine)	ME515115	1.25	0.99	0.94	1.84	0.86	0.85
acyl-C5:1 (Tiglylcarnitine)	ME515104	1.23	1.29	0.98	1.85	0.91	0.74
acyl-C14 (O-tetradecanoyl-L-carnitine)	ME515114	0.69	1.38	0.98	1.73	0.83	0.97
acyl-C12 (O-dodecanoyl-carnitine)	ME515112	1.07	1.63	0.97	1.36	0.89	0.89
acyl-C3 (propionyl-carnitine)	ME515099	1.11	1.38	0.91	1.59	0.91	0.86
acyl-C2 (acetyl-carnitine)	ME515098	0.95	1.73	1.02	1.04	0.99	0.89
acyl-C4-DC	ME515102	1.05	1.36	1.07	0.98	1.02	0.86
acyl-C6 (hexanoyl-l-carnitine)	ME515106	0.99	1.41	0.91	0.90	1.06	0.94
acyl-C10:1 (O-Decenoyl-L-carnitine)	ME515111	1.30	1.36	0.85	0.96	1.00	0.94
acyl-C10 (O-Decanoyl-L-carnitine)	ME515110	1.40	1.09	0.77	1.09	0.98	0.98
Creatinine	ME515076	1.30	0.77	1.16	1.10	0.98	0.89
L-Citrulline	ME515072	1.15	0.85	1.09	1.09	1.03	0.90
Indole	ME515082	1.05	0.87	0.80	1.06	1.16	0.91
acyl-C8 (L-octanoylcarnitine	ME515108	1.25	0.96	0.86	0.92	1.04	0.99
L-tyrosine	ME515054	1.15	0.87	0.73	0.96	1.08	1.02
acyl-C16 (L-Palmitoylcarnitine)	ME515116	0.75	1.45	1.08	1.34	0.86	0.99
3^,5^-Cyclic IMP	ME515060	0.54	1.25	0.90	1.26	1.06	0.97
Ornithine	ME515071	0.67	1.26	0.94	1.37	0.90	1.04
5-Hydroxyisourate	ME515059	0.50	1.20	1.29	1.18	0.72	1.20
acyl-C18 (Octadecanoyl-L-carnitine)	ME515118	0.53	1.04	1.12	1.22	0.91	1.08
Indole-3-acetate	ME515084	0.71	1.02	1.18	1.25	0.94	0.98
Nicotinate ribonucleotide	ME515061	0.91	1.13	1.24	1.53	0.90	0.83
L-Carnitine	ME515097	0.87	0.96	1.02	1.31	0.98	0.96
Indole-3-acetaldehyde	ME515083	0.83	0.93	1.16	1.48	0.86	0.98
L-tryptophan	ME515053	0.84	0.95	1.14	1.38	0.85	1.02
Picolinic acid	ME515088	1.08	0.94	0.97	1.31	0.90	1.01
Uracil	ME515057	0.97	1.05	0.91	1.36	0.92	1.01
L-lysine	ME515048	0.96	1.15	0.95	1.45	0.85	1.02
L-phenylalanine	ME515050	1.00	1.20	0.90	1.37	0.86	1.03
N-Acetylornithine	ME515078	0.67	0.70	1.02	1.12	1.10	0.97
Acetylcholine	ME515095	0.71	0.83	1.01	1.21	1.05	0.98
Guanidinoacetate	ME515079	0.76	0.68	1.04	1.24	1.03	0.99
acyl-C4 (butanoyl-l-carnitine)	ME515100	0.96	0.90	1.08	1.21	1.12	0.81
kynurenine	ME515086	0.85	0.87	1.03	1.12	1.07	0.93
Cys-Gly	ME515063	0.63	1.07	0.88	1.04	0.99	1.12
L-histidine	ME515046	0.62	1.06	0.93	1.13	0.92	1.15
5-Oxoproline	ME515062	0.84	0.92	0.86	0.96	1.04	1.08
L-proline	ME515051	0.76	0.83	0.84	1.08	1.05	1.07
Dimethylglycine	ME515069	1.04	1.20	0.81	0.87	0.93	1.15
Allantoate	ME515058	0.85	1.08	0.86	1.21	1.03	0.99
gamma-Glutamyl-Se-methylselenocysteine	ME515064	0.85	1.04	0.92	1.16	1.04	0.98
L-serine	ME515052	0.88	1.22	0.82	1.06	1.03	1.02
Phosphoserine	ME515070	0.92	1.15	0.98	1.05	0.96	1.03
L-leucine/isoleucine	ME515047	0.92	1.16	0.87	1.14	0.92	1.08
L-valine	ME515055	0.85	1.10	0.95	1.12	0.93	1.07
L-alanine	ME515044	1.12	1.18	0.90	1.00	0.96	1.02
Choline	ME515096	1.17	1.04	0.94	1.11	1.00	0.95
L-methionine	ME515049	1.11	1.05	0.92	1.15	1.02	0.92
acyl-C5 (isovalerylcarnitine)	ME515103	0.68	0.61	1.30	1.27	0.69	1.25
Indoxyl	ME515085	0.53	0.57	1.12	1.64	0.91	1.03
L-Adrenaline	ME515090	0.91	0.50	0.85	0.71	1.26	0.99
Creatine	ME515075	0.49	0.52	0.86	0.94	1.13	1.13
L-Homocysteine	ME515068	0.53	0.46	0.96	1.20	1.10	1.04

Factors:

F1	NA:NA \| Pre:Post
F2	NA:NA \| Pre:Pre
F3	NA:non-responder \| Pre:Post
F4	NA:non-responder \| Pre:Pre
F5	NA:Responder \| Pre:Post
F6	NA:Responder \| Pre:Pre

Data matrix