Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003367)

HILIC POSITIVE ION MODE (Analysis AN005519)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17
Cyanocobalamin 147	ME881963	0.15	0.15	0.14	0.11	0.09	0.10	0.09	0.12	0.15	0.17	0.15	0.20	0.18	0.15	0.28	0.14	22.82
Cyanocobalamin 457	ME881964	0.08	0.12	0.07	0.08	0.08	0.06	0.07	0.05	0.11	0.06	0.06	0.13	0.05	0.10	0.12	0.08	21.58
pABA 120	ME881930	0.16	0.30	0.46	0.08	0.56	0.05	0.15	1.01	1.08	1.01	0.83	1.02	0.94	1.01	7.80	8.27	0.65
Ornithine 70	ME881929	1.11	1.38	1.22	1.08	1.10	0.88	0.87	1.20	1.29	1.37	1.17	1.26	1.30	1.23	0.87	0.96	0.00
Urea 44	ME881912	0.91	1.06	1.03	0.91	0.88	0.78	0.80	1.37	1.39	1.46	1.35	1.39	1.43	1.39	1.07	1.11	0.02
Citrulline 113	ME881941	0.66	0.75	0.81	0.68	0.85	0.60	0.74	1.39	1.47	1.62	1.37	1.08	1.77	1.50	1.47	1.36	0.39
Penicillin G 289 POS	ME881951	0.72	0.82	0.77	0.73	0.74	0.62	0.62	1.48	1.56	1.60	1.50	1.52	1.52	1.48	1.63	1.84	0.00
Cysteine PARENT POS	ME881922	0.58	0.51	0.54	0.55	0.62	0.48	0.62	1.81	0.70	1.50	1.20	1.03	1.88	1.40	1.99	0.86	2.02
Lysine 84	ME881933	0.78	1.08	0.95	0.73	0.75	0.55	0.58	1.09	1.10	1.22	1.07	1.09	1.12	1.12	1.20	1.31	4.26
Pyridoxine 134	ME881939	0.62	0.72	0.68	0.60	0.65	0.53	0.53	1.38	1.33	1.41	1.35	1.36	1.31	1.35	1.39	1.46	3.11
Pyridoxine 152	ME881938	0.61	0.71	0.67	0.59	0.64	0.52	0.51	1.38	1.35	1.41	1.33	1.37	1.35	1.36	1.47	1.50	3.08
Folic 295	ME881954	0.77	0.96	0.84	0.70	0.76	0.59	0.58	1.20	1.16	1.33	1.27	1.26	1.24	1.24	1.19	1.16	3.36
Niaciamide 106	ME881925	0.77	0.96	1.00	0.82	0.85	0.68	0.59	1.11	1.22	1.31	1.16	1.18	1.22	1.16	1.21	1.20	3.22
Niaciamide 80	ME881924	0.86	1.09	1.08	0.90	0.94	0.78	0.66	1.12	1.19	1.28	1.16	1.17	1.22	1.15	1.18	1.22	2.39
Valine 72	ME881918	1.00	1.18	1.11	1.03	0.99	0.96	0.93	1.02	1.00	1.08	1.00	1.02	1.02	1.03	1.12	1.25	2.61
Valine 55	ME881919	0.97	1.13	1.07	0.98	0.95	0.90	0.91	1.04	1.00	1.05	0.98	1.01	1.02	1.04	1.19	1.26	3.01
Threonine 102	ME881921	0.92	1.04	1.02	0.98	0.97	0.94	0.89	1.03	1.04	1.09	0.99	1.04	1.05	1.04	1.07	1.20	3.14
Threonine 74 POS	ME881920	0.91	1.04	1.03	0.98	0.99	0.96	0.92	1.05	1.04	1.07	1.02	1.04	1.05	1.05	1.09	1.18	3.03
Methylcobalamin 147	ME881961	1.20	1.10	1.86	1.63	1.20	1.49	2.09	0.49	0.44	0.64	0.44	0.66	0.65	0.67	0.31	0.63	1.91
Choline 60	ME881915	1.26	1.29	1.53	1.55	1.64	1.57	1.24	0.61	0.60	0.65	0.59	0.59	0.60	0.60	1.04	1.06	2.97
Pantothenic 202	ME881948	2.17	1.50	1.39	1.55	1.77	1.56	1.29	0.43	0.45	0.50	0.48	0.47	0.47	0.47	0.48	0.48	3.14
Doxycycline 321	ME881955	1.11	2.91	1.11	1.15	0.74	0.51	0.95	1.03	0.49	0.87	0.51	0.87	0.72	1.04	0.75	1.04	0.52
Biotin 227	ME881949	2.05	1.34	1.14	1.25	1.50	1.14	1.05	0.96	0.98	1.05	0.97	0.97	1.00	0.97	0.91	0.98	0.02
Tryptophan 118	ME881947	1.57	1.84	1.56	1.56	1.51	1.34	1.32	0.67	0.68	0.72	0.65	0.69	0.68	0.69	0.70	0.83	1.58
Tryptophan 146	ME881946	1.60	1.81	1.56	1.49	1.54	1.38	1.30	0.70	0.68	0.69	0.65	0.71	0.68	0.69	0.72	0.82	1.60
Asparagine 87	ME881928	1.54	1.80	1.72	1.67	1.65	1.64	1.59	0.71	0.71	0.73	0.68	0.69	0.71	0.70	0.70	0.74	0.11
Proline 70	ME881917	1.54	1.61	1.57	1.54	1.49	1.41	1.33	0.79	0.78	0.81	0.76	0.78	0.77	0.78	0.83	0.86	0.77
Serine 60	ME881916	1.41	1.63	1.53	1.56	1.52	1.51	1.44	0.72	0.77	0.79	0.76	0.74	0.75	0.76	0.83	0.90	0.79
GSK2194069 344	ME881953	0.79	0.82	1.38	1.36	1.10	1.12	1.09	1.29	0.72	0.73	0.50	1.13	0.65	1.00	0.84	1.00	1.15
Fasnall 218	ME881952	1.30	1.50	1.30	1.01	1.23	0.81	1.10	1.00	0.79	1.16	0.80	0.85	0.90	0.73	1.18	0.71	0.81
Methionine 104	ME881934	1.30	1.46	1.39	1.28	1.26	1.23	1.19	0.94	0.90	0.95	0.88	0.93	0.89	0.90	0.90	1.03	1.31
Methionine 61	ME881935	1.31	1.51	1.39	1.30	1.26	1.22	1.17	0.90	0.87	0.94	0.88	0.89	0.88	0.90	0.90	1.04	1.37
Isoleucine 69	ME881926	1.20	1.39	1.30	1.22	1.18	1.11	1.12	0.98	0.95	1.01	0.96	0.98	0.98	0.99	1.10	1.13	1.23
Leucine 86	ME881927	1.30	1.23	1.30	1.32	1.28	1.14	1.11	0.94	0.96	0.99	0.96	0.91	0.97	0.95	1.13	1.15	1.28
Glutamine 130	ME881932	1.07	1.27	1.29	1.26	1.23	1.21	1.12	0.95	0.89	0.99	0.95	0.95	0.95	0.95	1.15	1.02	1.74
Glutamine 84	ME881931	1.13	1.24	1.26	1.20	1.20	1.20	1.17	0.95	0.94	1.00	0.94	0.96	0.98	0.97	1.02	1.09	1.65
Thiamine 122	ME881950	1.19	1.38	1.25	1.16	1.16	1.03	1.05	0.95	0.94	1.00	0.94	0.96	0.97	0.96	0.91	0.96	2.17
Tyrosine 123	ME881943	1.09	1.45	1.21	1.17	1.09	1.08	1.01	1.01	0.96	1.03	0.95	0.95	0.93	0.97	1.02	1.10	2.03
Tyrosine 136	ME881942	1.17	1.49	1.19	1.21	1.15	1.08	0.99	0.97	0.95	0.96	0.98	0.98	0.94	0.95	0.95	1.10	1.97
Adenosylcobalamin 147	ME881965	1.66	1.70	2.13	4.80	1.53	1.78	1.43	0.15	0.21	0.31	0.15	0.29	0.24	0.19	0.23	0.20	0.26
Puro Heavy 121	ME881956	1.16	1.06	2.10	5.83	0.99	1.00	0.93	0.25	0.42	0.44	0.41	1.26	0.28	0.47	0.41	0.25	0.22
NADH 348	ME881960	1.80	1.72	1.16	1.38	1.40	1.21	1.33	0.00	NA	NA	NA	NA	NA	0.00	NA	0.00	0.00
Cysteine 76	ME881923	1.46	2.86	1.59	2.21	2.40	1.88	1.44	0.36	0.47	0.40	0.41	0.38	0.38	0.33	0.36	0.39	0.77
Citrulline 70	ME881940	2.22	1.80	1.62	1.75	1.87	1.72	1.65	0.55	0.57	0.66	0.49	0.57	0.54	0.59	0.55	0.57	0.12
Alanine PARENT POS	ME881914	2.16	2.18	2.12	2.16	2.12	2.16	2.01	0.30	0.32	0.34	0.32	0.31	0.34	0.32	0.02	0.03	0.23
Glycine PARENT POS	ME881913	2.06	2.04	1.90	1.96	1.98	1.91	1.94	0.39	0.38	0.40	0.37	0.39	0.39	0.39	0.36	0.39	0.67
Myristoyl-CoA 428	ME881971	2.68	2.02	2.11	1.54	2.87	3.28	2.76	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.01
NAD+ 428	ME881958	2.33	2.38	2.15	2.34	2.31	2.31	2.18	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acetyl-CoA 303	ME881967	2.45	2.52	2.15	2.75	2.48	2.57	2.41	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
NAD+ 524	ME881957	2.57	2.63	2.29	2.57	2.41	2.48	2.38	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
O-Acetyl-L-carnitine 145	ME881945	2.55	2.53	2.24	2.57	2.36	2.41	2.34	0.04	0.05	0.05	0.06	0.05	0.04	0.04	0.02	0.01	0.00
O-Acetyl-L-carnitine 85	ME881944	2.54	2.53	2.28	2.57	2.42	2.39	2.33	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.01	0.01	0.00
Malonyl-CoA 303	ME881969	2.99	2.71	2.11	2.26	2.24	2.30	2.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00
NADH 649	ME881959	3.18	2.96	1.94	2.42	2.43	2.10	2.29	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00

Factors:

F1	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:100 uM C75
F2	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:15 uM C75
F3	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM C75
F4	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:20 uM C75
F5	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:40 uM C75
F6	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 uM C75
F7	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:Control
F8	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:100 uM C75
F9	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:15 uM C75
F10	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:1 uM C75
F11	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:20 uM C75
F12	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:40 uM C75
F13	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:5 uM C75
F14	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug Treatment:Control
F15	Sample source:NA \| Sample Type:Medium \| Drug Treatment:Control
F16	Sample source:NA \| Sample Type:Medium \| Drug Treatment:NA
F17	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA

Data matrix