Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003411)

HILIC POSITIVE ION MODE (Analysis AN005603)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16
Cyanocobalamin 147	ME895511	0.02	0.02	0.02	0.02	0.02	0.01	0.02	0.16	0.14	0.13	0.18	0.13	0.17	0.16	0.15	23.99
Cyanocobalamin 457	ME895512	0.03	0.02	0.02	0.02	0.01	0.01	0.02	0.09	0.14	0.11	0.10	0.12	0.12	0.09	0.11	22.00
pABA 120	ME895465	0.09	0.10	0.08	0.06	0.07	0.04	0.04	0.92	1.12	1.04	0.97	1.08	1.05	0.99	9.22	0.67
Puro Heavy 121	ME895502	0.67	0.36	1.07	1.36	0.41	0.36	0.71	0.52	1.01	1.12	0.68	6.18	0.85	0.71	0.68	0.39
Adenosylcobalamin 341	ME895514	1.35	1.46	0.97	0.63	0.57	1.18	1.23	NA	NA	NA	NA	NA	NA	0.18	NA	NA
Acetyl-CoA 428	ME895516	1.85	1.79	1.59	1.91	1.82	1.80	1.57	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	NA
Malonyl-CoA 428	ME895518	1.85	1.56	1.33	1.50	1.45	1.37	1.26	NA	0.00	NA	0.00	0.00	NA	0.00	NA	0.00
NADH 348	ME895508	1.83	2.01	1.10	1.50	1.36	1.15	1.72	NA	0.00	0.00	0.00	NA	0.00	0.00	0.00	0.00
Cysteine 76	ME895458	2.10	2.38	1.69	2.11	2.09	1.69	1.59	0.32	0.39	0.39	0.34	0.34	0.45	0.37	0.52	0.85
Adenosylcobalamin 147	ME895513	2.81	3.38	1.83	1.55	2.05	2.50	1.41	0.18	0.13	0.17	0.15	0.24	0.23	0.14	0.18	0.22
O-Acetyl-L-carnitine 145	ME895480	2.26	2.26	1.98	2.22	2.17	2.14	2.03	0.18	0.17	0.17	0.17	0.18	0.18	0.17	0.05	NA
O-Acetyl-L-carnitine 85	ME895479	2.40	2.39	2.12	2.41	2.31	2.24	2.19	0.17	0.18	0.18	0.18	0.17	0.18	0.18	0.03	0.00
Malonyl-CoA 303	ME895517	3.13	2.64	2.14	2.41	2.32	2.37	2.17	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0.02	0.02
NAD+ 428	ME895506	2.55	2.42	2.23	2.46	2.45	2.38	2.18	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acetyl-CoA 303	ME895515	2.59	2.49	2.18	2.68	2.53	2.54	2.33	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
NAD+ 524	ME895505	2.68	2.52	2.29	2.52	2.55	2.45	2.32	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Myristoyl-CoA 428	ME895519	2.52	3.20	2.06	2.67	1.98	2.53	2.34	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
NADH 649	ME895507	3.00	3.28	1.85	2.33	2.19	1.91	2.77	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Methotrexate 134	ME895501	1.23	1.00	0.62	1.43	0.62	1.09	3.16	NA	0.52	0.81	0.51	0.77	NA	1.21	0.63	NA
Pantothenic 202	ME895483	2.19	1.58	1.40	1.62	1.73	1.54	1.35	0.38	0.50	0.54	0.68	0.51	0.50	0.58	0.66	2.37
TVB-3166 342	ME895491	1.02	2.28	2.26	0.99	1.01	1.15	1.18	0.62	0.94	0.71	1.03	0.49	0.44	0.90	0.52	0.28
Acyl-L-carnitine (18:2) 85	ME895492	1.43	1.93	1.67	1.65	1.13	1.39	1.47	0.58	0.63	1.01	0.72	1.05	0.63	0.84	1.04	0.15
Alanine PARENT POS	ME895449	1.71	1.72	1.66	1.72	1.67	1.70	1.57	0.68	0.74	0.77	0.76	0.71	0.78	0.73	0.06	0.52
Doxycycline 321	ME895499	0.34	1.82	0.85	1.03	0.81	0.84	0.65	1.35	0.73	0.64	0.97	1.29	0.93	1.10	0.51	0.78
Glycine PARENT POS	ME895448	1.20	1.16	1.07	1.12	1.14	1.07	1.09	1.03	1.01	1.02	1.01	0.98	1.05	1.03	1.01	2.01
GSK2194069 344	ME895493	1.07	0.69	1.38	0.74	0.74	1.00	2.06	0.91	1.26	0.95	1.00	1.26	0.60	0.69	0.72	0.89
VY-3-135 412	ME895494	0.97	1.09	1.33	1.43	0.60	0.87	1.13	0.77	0.89	1.91	1.86	1.47	0.91	0.68	0.70	0.17
Cerulenin 89	ME895485	1.54	0.75	1.33	1.86	0.77	0.80	0.76	1.10	1.06	0.97	1.23	1.15	0.90	1.46	1.39	0.14
VY-7-137 508	ME895503	1.21	1.20	1.34	1.19	1.04	1.08	1.36	0.81	0.87	0.88	1.00	0.89	1.26	1.11	1.96	0.04
Biotin 227	ME895486	2.12	1.38	1.14	1.26	1.45	1.10	1.05	0.94	0.98	1.04	0.97	0.95	1.06	0.93	0.93	0.03
Cysteine PARENT POS	ME895457	0.82	1.02	1.03	0.94	0.83	1.10	0.83	1.24	1.23	1.14	1.23	1.19	1.09	1.22	1.20	0.82
TVB-2640 412	ME895496	1.24	0.94	1.24	1.16	1.03	1.37	1.17	0.90	1.23	1.04	0.97	0.87	1.11	0.88	0.63	0.69
Methotrexate 308	ME895500	1.72	1.20	0.92	1.28	0.76	1.51	1.08	0.69	1.17	1.07	0.81	0.53	0.65	1.43	1.03	0.44
TVB-3166 116	ME895490	1.17	1.79	1.25	1.43	0.75	1.51	1.17	1.28	1.15	1.08	1.14	0.67	0.72	1.34	0.42	0.24
VY-7-137 233	ME895504	1.11	0.45	0.57	0.40	0.77	0.60	0.44	4.33	0.66	0.44	1.58	2.44	0.82	0.65	0.52	0.29
Cerulenin 207	ME895484	0.88	0.65	0.81	1.04	0.64	0.68	0.60	0.94	0.93	0.99	1.00	1.01	0.96	1.18	1.04	4.60
Methylcobalamin 147	ME895509	1.08	1.01	1.21	0.91	1.49	1.04	1.40	0.88	0.84	0.41	0.80	0.91	0.46	0.68	0.44	4.52
Ornithine 70	ME895464	0.23	0.30	0.26	0.23	0.23	0.18	0.18	1.95	2.00	2.02	1.99	1.98	2.06	1.97	1.72	0.01
Citrulline 113	ME895476	0.18	0.18	0.20	0.19	0.13	0.17	0.21	2.02	2.05	1.97	1.84	1.91	1.96	2.02	2.01	0.38
Citrulline 70	ME895475	0.17	0.17	0.16	0.15	0.14	0.12	0.14	2.05	1.99	2.11	2.02	1.87	2.08	2.01	1.90	0.36
Asparagine 87	ME895463	0.45	0.51	0.62	0.47	0.49	0.50	0.41	1.67	1.71	1.73	1.71	1.67	1.76	1.72	1.76	0.26
Urea 44	ME895447	0.39	0.45	0.41	0.38	0.38	0.33	0.34	1.86	1.87	1.91	1.86	1.87	1.92	1.89	1.43	0.00
VY-3-135 355	ME895495	0.92	0.48	1.07	0.77	0.49	0.47	0.98	1.36	1.17	1.94	1.52	1.31	1.27	1.71	1.35	0.16
Fasnall 218	ME895489	0.51	0.51	0.68	0.69	0.42	0.41	0.61	1.80	1.64	1.27	1.80	1.17	1.56	1.43	1.57	0.38
Penicillin G 289 POS	ME895488	0.67	0.80	0.74	0.69	0.68	0.57	0.58	1.57	1.57	1.59	1.57	1.55	1.61	1.57	1.56	0.00
Histidine 83	ME895472	0.37	0.44	0.42	0.38	0.39	0.36	0.36	1.62	1.67	1.64	1.62	1.63	1.66	1.64	1.70	2.15
Tyrosine 123	ME895478	0.41	0.54	0.45	0.44	0.41	0.40	0.38	1.55	1.59	1.60	1.53	1.54	1.62	1.58	1.71	2.40
Tyrosine 136	ME895477	0.44	0.58	0.49	0.45	0.42	0.41	0.41	1.53	1.60	1.60	1.56	1.54	1.61	1.58	1.63	2.21
Glutamine 130	ME895467	0.54	0.54	0.61	0.51	0.55	0.50	0.49	1.40	1.47	1.42	1.45	1.46	1.51	1.49	1.61	2.65
Tryptophan 146	ME895481	0.48	0.54	0.44	0.46	0.46	0.40	0.41	1.49	1.51	1.56	1.49	1.49	1.57	1.54	1.74	2.61
Glutamine 84	ME895466	0.63	0.63	0.69	0.62	0.67	0.60	0.59	1.40	1.44	1.43	1.42	1.42	1.44	1.45	1.55	2.05
Methionine 61	ME895470	0.49	0.57	0.51	0.48	0.47	0.45	0.46	1.53	1.56	1.58	1.55	1.53	1.60	1.57	1.67	1.99
Isoleucine 69	ME895461	0.52	0.61	0.57	0.53	0.51	0.48	0.48	1.53	1.55	1.55	1.52	1.54	1.56	1.53	1.70	1.75
Leucine 86	ME895462	0.54	0.62	0.63	0.52	0.51	0.47	0.51	1.61	1.61	1.46	1.51	1.39	1.60	1.51	1.68	1.75
Histidine 110 POS	ME895471	0.62	0.69	0.68	0.63	0.63	0.59	0.57	1.49	1.52	1.51	1.52	1.51	1.51	1.50	1.52	1.25
Serine 60	ME895451	0.61	0.70	0.68	0.69	0.66	0.64	0.62	1.41	1.43	1.43	1.43	1.41	1.47	1.43	1.66	1.60
Methionine 104	ME895469	0.62	0.71	0.64	0.61	0.59	0.56	0.57	1.47	1.48	1.49	1.48	1.45	1.51	1.48	1.56	1.69
Proline 70	ME895452	0.67	0.72	0.64	0.65	0.64	0.58	0.57	1.44	1.47	1.49	1.45	1.45	1.51	1.47	1.57	1.53
Lysine 84	ME895468	0.12	0.16	0.14	0.11	0.11	0.08	0.09	1.71	1.76	1.76	1.72	1.74	1.81	1.74	1.96	3.44
Thiamine 122	ME895487	0.33	0.38	0.34	0.32	0.32	0.28	0.28	1.54	1.58	1.66	1.58	1.55	1.62	1.59	1.42	3.83
Valine 55	ME895454	0.39	0.46	0.44	0.40	0.39	0.37	0.37	1.44	1.47	1.49	1.44	1.44	1.51	1.45	1.74	3.80
Threonine 102	ME895456	0.34	0.37	0.37	0.36	0.36	0.33	0.32	1.48	1.53	1.53	1.49	1.48	1.50	1.51	1.67	4.01
Pyridoxine 134	ME895474	0.35	0.41	0.37	0.33	0.34	0.26	0.28	1.51	1.56	1.59	1.49	1.48	1.61	1.46	1.72	3.89
Pyridoxine 152	ME895473	0.36	0.41	0.37	0.33	0.34	0.27	0.28	1.51	1.55	1.59	1.49	1.51	1.64	1.48	1.71	3.70
Niaciamide 106	ME895460	0.35	0.41	0.42	0.38	0.38	0.32	0.30	1.34	1.57	1.80	1.50	1.44	1.79	1.33	1.85	3.20
Niaciamide 80	ME895459	0.34	0.42	0.41	0.37	0.38	0.32	0.29	1.36	1.55	1.79	1.50	1.43	1.76	1.34	1.90	3.25
Valine 72	ME895453	0.46	0.54	0.50	0.47	0.45	0.43	0.43	1.45	1.50	1.51	1.46	1.47	1.50	1.48	1.69	2.99
Threonine 74 POS	ME895455	0.38	0.42	0.41	0.40	0.40	0.38	0.36	1.50	1.52	1.53	1.51	1.48	1.55	1.54	1.69	3.41
Tryptophan 118	ME895482	0.43	0.50	0.41	0.41	0.41	0.37	0.37	1.47	1.49	1.55	1.48	1.47	1.56	1.51	1.77	3.20
Choline 60	ME895450	0.39	0.40	0.46	0.48	0.51	0.46	0.38	1.24	1.28	1.34	1.25	1.26	1.32	1.19	2.07	4.98
Folic 295	ME895498	0.17	0.21	0.19	0.16	0.17	0.13	0.13	1.60	1.68	1.72	1.68	1.54	1.67	1.66	1.43	4.78

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:NA
F16	Sample source:NA \| Sample Type:QC \| Drug Treatment:NA

Data matrix