Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003429)

HILIC POSITIVE ION MODE (Analysis AN005632)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16
Cyanocobalamin 147	ME897800	0.10	0.18	0.10	0.17	0.31	0.13	0.10	0.74	0.88	1.04	0.83	0.78	0.80	0.85	0.15	13.78
Cyanocobalamin 457	ME897801	0.17	0.16	0.14	0.20	0.26	0.13	0.09	0.64	0.43	0.77	0.55	0.71	0.45	0.65	0.11	15.30
VY-3-135 355	ME897784	0.25	0.20	0.29	0.16	0.29	13.26	0.18	0.19	0.12	0.12	0.12	0.09	0.07	0.18	0.12	0.07
VY-3-135 412	ME897783	0.26	0.47	0.40	0.18	0.17	14.09	0.17	0.07	0.06	0.15	0.05	0.05	0.03	0.07	0.09	0.02
Fasnall 218	ME897778	0.01	2.53	0.05	4.35	5.64	1.32	0.00	0.00	0.30	0.01	0.64	1.36	0.14	0.00	0.00	0.00
Malonyl-CoA 303	ME897806	4.37	1.28	3.48	1.18	0.50	1.41	4.07	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
NADH 649	ME897796	1.09	3.00	2.68	3.35	1.85	3.32	1.03	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
VY-7-137 508	ME897792	0.91	1.99	1.39	3.37	3.65	2.13	0.81	0.11	0.25	0.15	0.33	0.33	0.28	0.12	0.45	0.03
Malonyl-CoA 428	ME897807	1.94	0.55	1.59	0.56	0.23	0.63	1.84	NA	NA	NA	NA	NA	NA	0.00	NA	NA
Acetyl-CoA 303	ME897804	2.45	2.30	2.17	2.30	1.94	2.45	2.39	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
O-Acetyl-L-carnitine 145	ME897769	2.15	2.33	2.20	2.12	1.81	2.55	2.17	0.04	0.05	0.05	0.05	0.05	0.05	0.04	0.00	NA
O-Acetyl-L-carnitine 85	ME897768	2.22	2.23	2.31	2.09	2.16	2.43	2.35	0.07	0.08	0.08	0.08	0.08	0.08	0.06	0.00	0.00
Myristoyl-CoA 428	ME897808	2.15	1.79	2.63	1.46	0.79	2.43	2.08	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00
Adenosylcobalamin 147	ME897802	2.81	1.70	2.58	1.30	0.95	1.71	2.92	0.22	0.20	0.20	0.26	0.24	0.25	0.34	0.25	0.35
NAD+ 428	ME897795	2.88	1.74	2.62	1.78	1.54	1.91	2.86	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA
NAD+ 524	ME897794	2.99	1.96	2.78	1.94	1.68	2.08	2.91	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acetyl-CoA 428	ME897805	1.61	1.53	1.39	1.46	1.25	1.56	1.52	0.00	0.00	0.00	0.00	NA	0.00	0.00	NA	NA
NADH 348	ME897797	0.67	1.77	1.60	1.97	1.12	1.90	0.64	NA	NA	0.00	0.00	0.00	NA	0.00	0.00	0.00
Cerulenin 89	ME897774	1.65	1.49	2.43	1.40	1.23	2.74	1.86	0.61	0.67	0.46	0.54	0.30	0.28	0.33	0.25	0.04
Cysteine PARENT POS	ME897746	1.61	1.37	2.26	1.47	1.66	1.96	1.14	0.28	0.55	0.54	0.57	0.53	0.52	0.48	0.46	1.37
Glycine PARENT POS	ME897737	1.50	2.08	1.85	2.19	1.84	2.19	1.53	0.32	0.37	0.35	0.39	0.42	0.37	0.32	0.28	0.49
Alanine PARENT POS	ME897738	1.81	1.80	1.87	1.87	1.81	1.76	1.77	0.50	0.50	0.60	0.49	0.47	0.50	0.47	0.01	0.13
TVB-3166 116	ME897779	2.05	1.84	1.27	1.88	1.60	1.98	1.55	0.53	0.55	0.42	0.41	0.42	0.46	0.59	0.23	0.15
Cysteine 76	ME897747	2.08	1.74	2.55	1.83	1.71	1.97	1.34	0.32	0.34	0.35	0.33	0.34	0.35	0.34	0.32	0.65
Methylcobalamin 147	ME897798	2.56	1.72	1.69	1.96	1.47	1.78	1.72	0.36	0.26	0.37	0.34	0.38	0.29	0.46	0.30	0.75
Cerulenin 207	ME897773	1.34	1.16	1.91	1.11	0.94	2.04	1.43	0.53	0.58	0.41	0.48	0.30	0.26	0.33	0.36	4.01
Pantothenic 202	ME897772	2.08	1.29	1.80	1.29	1.13	1.35	2.36	0.45	0.49	0.45	0.46	0.48	0.48	0.49	0.27	2.10
Penicillin G 289 POS	ME897777	0.50	0.66	0.61	0.53	0.64	0.56	0.48	1.50	1.54	1.52	1.55	1.51	1.53	1.52	1.68	0.00
Urea 44	ME897736	1.11	0.61	1.00	0.51	0.48	0.59	1.08	1.83	1.37	1.67	1.26	1.25	1.27	1.90	0.21	0.01
Niaciamide 106	ME897749	0.60	0.71	0.70	0.57	0.57	0.62	0.62	1.06	1.23	1.18	1.13	1.13	1.22	1.29	1.15	3.80
Niaciamide 80	ME897748	0.67	0.85	0.77	0.71	0.75	0.74	0.68	1.08	1.22	1.17	1.18	1.17	1.20	1.30	1.16	2.51
Folic 295	ME897787	0.32	0.61	0.42	0.43	0.64	0.48	0.29	1.49	1.38	1.42	1.32	1.42	1.35	1.45	1.27	3.04
Pyridoxine 134	ME897763	0.56	0.63	0.62	0.53	0.59	0.54	0.54	1.20	1.22	1.23	1.21	1.26	1.23	1.24	1.44	2.97
Pyridoxine 152	ME897762	0.58	0.65	0.64	0.55	0.61	0.56	0.55	1.21	1.25	1.26	1.27	1.28	1.24	1.28	1.49	2.87
Lysine 84	ME897757	0.28	1.22	0.36	1.58	2.13	0.84	0.26	0.76	1.17	0.86	1.12	1.18	1.09	0.78	1.05	2.47
Valine 55	ME897743	0.55	1.33	0.55	1.64	2.01	1.08	0.60	0.65	1.00	0.75	1.01	1.02	0.98	0.68	0.98	2.26
Valine 72	ME897742	0.60	1.35	0.62	1.59	1.90	1.12	0.64	0.67	1.01	0.80	1.01	1.03	1.00	0.71	0.98	1.95
Threonine 102	ME897745	0.53	0.88	0.52	1.16	1.60	0.70	0.55	0.97	1.06	0.96	1.08	1.14	1.02	1.00	1.11	3.10
Threonine 74 POS	ME897744	0.55	0.87	0.52	1.15	1.54	0.74	0.56	0.97	1.07	0.98	1.11	1.16	1.06	1.01	1.14	2.87
Histidine 110 POS	ME897760	0.44	0.88	0.42	1.05	1.46	0.70	0.47	1.19	1.14	1.14	1.16	1.27	1.16	1.21	1.37	1.86
Histidine 83	ME897761	0.43	0.83	0.40	1.03	1.46	0.66	0.45	1.17	1.13	1.18	1.15	1.23	1.13	1.25	1.41	2.12
Methotrexate 134	ME897790	0.85	0.65	0.66	1.20	0.95	1.02	NA	NA	1.48	1.28	1.02	NA	0.97	1.61	NA	0.60
Leucine 86	ME897751	0.69	1.21	0.63	1.61	3.46	0.96	0.72	0.61	0.88	0.72	0.88	0.90	0.85	0.65	0.91	1.00
Tryptophan 118	ME897771	0.85	1.71	0.81	2.16	2.80	1.35	0.92	0.51	0.67	0.56	0.67	0.68	0.68	0.54	0.70	1.10
Tryptophan 146	ME897770	0.88	1.66	0.83	2.07	2.53	1.36	0.96	0.55	0.71	0.60	0.71	0.71	0.70	0.56	0.74	1.13
Glutamine 130	ME897756	0.81	1.27	0.62	1.66	1.82	1.03	0.84	0.75	0.90	0.85	0.98	0.98	0.91	0.79	1.08	1.56
Glutamine 84	ME897755	0.80	1.25	0.67	1.44	1.64	1.06	0.87	0.87	0.99	0.88	0.98	0.99	0.98	0.87	1.11	1.41
Methionine 61	ME897759	0.92	1.46	0.85	1.76	2.14	1.22	1.00	0.67	0.83	0.73	0.83	0.84	0.82	0.71	0.87	1.00
Methionine 104	ME897758	0.97	1.39	0.90	1.59	1.83	1.20	1.04	0.75	0.88	0.80	0.89	0.89	0.88	0.78	0.90	0.99
Serine 60	ME897740	1.02	1.37	0.85	1.69	1.97	1.09	1.11	0.66	0.90	0.74	0.94	0.88	0.92	0.69	0.93	0.84
Isoleucine 69	ME897750	0.76	1.32	0.70	1.64	2.06	1.05	0.83	0.75	0.97	0.82	0.98	0.99	0.97	0.77	0.99	1.08
Tyrosine 123	ME897767	0.75	1.40	0.68	1.77	2.20	1.15	0.85	0.75	0.87	0.77	0.89	0.91	0.86	0.74	0.85	1.34
Tyrosine 136	ME897766	0.82	1.41	0.70	1.70	2.13	1.12	0.86	0.74	0.85	0.77	0.93	0.91	0.88	0.76	0.87	1.32
Ornithine 70	ME897753	1.10	1.38	1.07	1.67	2.16	1.08	1.15	1.18	0.82	1.09	0.78	0.77	0.83	1.19	0.06	0.00
Citrulline 113	ME897765	0.38	1.66	0.38	2.01	2.54	1.11	0.40	1.00	1.06	1.05	1.01	0.94	1.10	1.15	0.42	0.12
Citrulline 70	ME897764	0.36	1.62	0.37	2.12	2.61	1.11	0.40	1.02	0.99	1.03	1.04	1.04	1.04	1.12	0.41	0.08
Methotrexate 308	ME897789	1.35	1.57	1.58	1.55	1.27	1.06	1.88	0.40	1.03	0.62	0.85	0.86	0.56	0.40	0.47	0.91
Puro Heavy 121	ME897791	1.67	1.03	1.62	1.00	1.43	1.68	1.75	0.79	0.59	0.64	0.36	0.81	0.65	0.83	0.87	0.53
Proline 70	ME897741	1.37	1.50	1.50	1.63	1.82	1.45	1.33	0.63	0.68	0.68	0.70	0.70	0.70	0.61	0.65	0.59
Asparagine 87	ME897752	1.37	1.09	0.95	1.50	1.91	0.82	1.60	0.82	0.86	0.86	0.89	0.87	0.90	0.88	0.92	0.12
Biotin 227	ME897775	1.40	1.42	1.18	1.55	1.48	1.37	1.50	0.76	0.80	0.78	0.79	0.79	0.79	0.80	0.89	0.02
GSK2194069 344	ME897782	1.29	1.04	0.87	1.08	1.36	1.08	0.99	0.54	0.93	0.49	1.15	0.98	1.18	0.49	1.24	NA
TVB-2640 412	ME897785	1.00	1.06	1.39	1.62	1.15	1.56	0.88	0.52	1.31	0.69	1.55	0.81	0.51	0.84	0.65	0.44
Doxycycline 321	ME897788	1.43	0.71	0.63	0.47	1.18	1.72	1.42	0.77	0.93	1.09	0.90	1.64	0.70	0.76	0.67	0.91
TVB-3166 342	ME897780	1.50	1.20	1.28	0.76	0.96	0.85	1.07	0.70	1.10	0.76	0.71	0.86	0.35	0.84	NA	1.02
Choline 60	ME897739	0.00	0.00	NA	0.03	NA	0.01	NA	1.05	6.39	1.89	NA	NA	NA	0.00	4.53	0.04
pABA 120	ME897754	0.07	0.14	0.10	0.18	0.90	0.17	0.05	0.11	0.53	0.08	1.15	2.57	0.32	0.12	9.24	0.86

Factors:

F1	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:0.1 uM Fasnall
F2	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:10 uM Fasnall
F3	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:1 uM Fasnall
F4	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:20 uM Fasnall
F5	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:40 uM Fasnall
F6	Sample source:BT-474 breast cancer cells \| Sample Type:Intracellular \| Drug Treatment:5 uM Fasnall
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:0.1 uM Fasnall
F9	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:10 uM Fasnall
F10	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:1 uM Fasnall
F11	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:20 uM Fasnall
F12	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:40 uM Fasnall
F13	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:5 uM Fasnall
F14	Sample source:BT-474 breast cancer cells \| Sample Type:Medium \| Drug Treatment:Control
F15	Sample source:NA \| Sample Type:Medium \| Drug Treatment:10 uM Fasnall
F16	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA

Data matrix