Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003412)

HILIC POSITIVE ION MODE (Analysis AN005605)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29	F30	F31	F32	F33	F34	F35	F36	F37	F38	F39	F40	F41
Alanine PARENT POS	ME895609	2.15	2.13	1.35	1.97	0.02	1.92	2.21	2.26	1.74	2.14	1.68	2.02	1.70	2.27	1.71	2.12	1.62	2.03	1.74	0.52	0.50	0.35	0.47	0.25	0.47	0.55	0.53	0.39	0.47	0.34	0.46	0.31	0.55	0.39	0.52	0.36	0.49	0.40	0.02	0.21	0.21
Cysteine PARENT POS	ME895617	0.60	0.64	0.73	0.74	0.41	0.74	0.80	0.73	0.90	0.85	1.41	1.20	0.81	1.00	1.25	1.21	1.27	1.19	1.39	1.21	1.20	1.23	1.24	1.28	1.09	1.12	1.10	1.15	1.09	1.06	1.15	1.14	1.07	1.10	0.84	0.91	1.07	1.15	1.28	1.49	1.40
Histidine 110 POS	ME895631	0.91	0.82	0.77	0.88	0.03	0.87	0.90	0.83	0.84	0.80	0.89	0.79	0.87	0.87	0.86	0.86	0.88	0.87	0.88	1.21	1.20	1.24	1.25	1.29	1.23	1.23	1.22	1.21	1.22	1.23	1.24	1.21	1.20	1.18	1.28	1.23	1.18	1.24	1.30	1.60	1.63
Choline 60	ME895610	0.00	0.00	0.00	0.01	0.00	0.00	0.78	0.00	1.46	0.98	4.32	3.15	0.01	2.33	3.25	2.42	3.94	2.58	4.45	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.14	0.09	0.30	0.00	0.00	0.02	21.45	10.85
Citrulline 113	ME895636	0.83	0.95	1.09	1.11	0.25	0.87	1.04	0.88	0.98	1.04	1.18	0.92	1.36	1.06	2.18	0.81	1.08	1.05	1.03	0.94	1.10	1.09	1.15	2.41	0.97	1.06	1.00	0.97	1.01	1.04	1.04	1.02	1.09	1.05	1.05	1.09	1.51	1.11	1.00	0.20	0.17
Cyanocobalamin 147	ME895671	0.11	0.09	0.07	0.14	0.03	0.11	0.16	0.08	0.05	0.12	0.07	0.09	0.08	0.12	0.11	0.09	0.13	0.12	0.09	0.19	0.14	0.22	0.16	0.14	0.11	0.17	0.14	0.19	0.12	0.11	0.15	0.13	0.12	0.14	0.20	0.17	0.14	0.16	0.18	44.01	28.36
Asparagine 87	ME895623	1.95	2.06	1.21	1.86	0.01	1.90	1.79	1.88	1.58	1.79	1.66	1.53	2.03	1.69	1.61	1.59	1.61	1.54	1.49	0.60	0.59	0.63	0.59	0.65	0.62	0.61	0.60	0.59	0.58	0.60	0.59	0.59	0.58	0.58	0.61	0.58	0.60	0.58	0.64	0.10	0.09
Cerulenin 89	ME895645	2.36	1.97	1.70	2.15	2.29	1.98	1.62	1.48	1.41	2.09	1.38	1.57	1.84	1.80	1.98	1.98	1.52	1.97	1.81	0.64	0.53	0.31	0.47	0.35	0.33	0.42	0.38	0.44	0.37	0.28	0.42	0.45	0.27	0.40	0.36	0.34	0.43	0.43	0.52	0.09	0.09
GSK2194069 344	ME895653	0.81	1.28	0.78	1.01	1.47	1.25	1.40	0.73	1.03	0.92	0.86	1.04	0.94	1.22	0.98	1.10	1.05	1.16	1.05	0.89	1.54	0.94	0.82	1.17	1.02	0.94	0.92	1.12	1.40	1.07	1.31	0.82	0.63	0.79	1.02	0.77	0.89	0.84	0.80	0.63	0.66
Acetyl-CoA 428	ME895676	1.51	1.83	1.40	1.65	0.00	1.70	1.44	1.83	1.92	1.79	2.36	1.64	3.06	1.54	1.59	1.50	1.71	1.40	1.94	0.00	NA	0.00	NA	NA	NA	0.00	0.00	0.00	0.00	NA	0.00	0.00	0.00	0.00	0.00	NA	NA	0.00	0.00	0.00	0.00
Biotin 227	ME895646	1.52	1.54	1.20	1.55	0.01	1.49	1.53	1.49	1.50	1.51	1.73	1.44	2.02	1.56	1.60	1.55	1.70	1.49	2.26	0.74	0.71	0.73	0.72	0.72	0.73	0.73	0.72	0.73	0.71	0.72	0.71	0.71	0.71	0.70	0.71	0.70	0.72	0.68	0.72	0.02	0.02
Acetyl-CoA 303	ME895675	2.18	2.59	1.97	2.35	0.00	2.35	2.05	2.57	2.81	2.53	3.34	2.27	4.33	2.09	2.27	2.04	2.43	2.01	2.70	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Acyl-L-carnitine (18:2) 85	ME895652	2.47	2.45	1.93	2.56	0.88	2.27	2.64	2.33	1.38	2.69	1.26	2.35	1.27	3.90	1.19	2.56	1.29	2.23	1.08	0.10	0.21	0.21	0.15	0.20	0.14	0.15	0.16	0.26	0.20	0.14	0.10	0.18	0.17	0.10	0.15	0.18	0.25	0.27	0.42	0.03	0.03
Adenosylcobalamin 147	ME895673	1.11	1.13	1.22	1.04	4.60	1.12	1.78	1.76	1.02	1.37	2.04	1.94	2.82	1.26	1.43	1.35	1.71	1.63	1.50	0.52	0.35	0.50	0.50	0.44	0.45	0.55	0.44	0.35	0.55	0.59	0.44	0.49	0.60	0.46	0.46	0.44	0.52	0.42	0.42	0.70	0.74
Doxycycline 321	ME895659	1.48	1.66	1.18	1.07	2.33	0.86	0.81	1.08	0.87	1.14	0.72	0.62	1.11	1.21	1.11	0.49	1.03	0.85	0.88	0.83	1.10	1.43	0.98	0.87	1.05	0.66	1.19	0.79	0.82	0.70	0.89	0.84	1.15	1.08	0.91	0.91	0.58	1.06	1.08	0.87	0.95
Citrulline 70	ME895635	0.94	0.93	1.17	1.07	0.28	0.96	1.00	0.91	1.01	0.99	1.18	0.85	1.39	1.14	2.19	0.87	1.02	0.97	1.09	1.09	1.02	1.21	1.09	2.43	1.09	1.06	1.02	1.04	1.02	1.03	0.97	1.04	1.03	0.99	1.00	0.98	1.55	1.06	0.98	0.17	0.19
Glutamine 84	ME895626	1.33	1.37	1.08	1.20	0.05	1.29	1.21	1.11	1.27	1.25	1.23	1.02	1.58	1.08	1.16	1.03	1.14	1.03	1.14	0.89	0.90	0.98	0.91	1.09	0.94	0.88	0.87	0.94	0.87	0.91	0.89	0.92	0.87	0.88	0.85	0.91	0.88	0.92	1.18	1.73	1.81
Cerulenin 207	ME895644	1.69	1.51	1.53	1.69	1.34	1.57	1.22	1.12	1.14	1.63	1.06	1.15	1.29	1.36	1.53	1.58	1.13	1.51	1.30	0.51	0.44	0.42	0.41	1.47	0.35	0.37	0.35	0.36	0.33	0.26	0.41	0.41	0.33	0.37	0.33	0.34	0.41	0.40	0.47	6.33	6.09
Cysteine 76	ME895618	1.35	1.24	1.73	1.88	0.05	1.86	1.98	1.56	2.34	1.81	3.84	3.12	1.65	2.36	3.23	3.24	3.12	3.07	3.28	0.06	0.06	0.13	0.06	0.05	0.07	0.10	0.09	0.07	0.06	0.08	0.09	0.08	0.14	0.10	0.11	0.10	0.13	0.09	0.07	0.16	0.13
Glycine PARENT POS	ME895608	2.08	2.03	1.86	2.10	0.04	2.01	2.11	2.05	1.89	2.03	2.09	2.16	1.90	2.23	2.08	2.18	1.94	2.16	2.08	0.30	0.31	0.32	0.31	0.34	0.34	0.33	0.28	0.29	0.27	0.28	0.27	0.28	0.29	0.28	0.30	0.27	0.28	0.29	0.25	0.38	0.45
Isoleucine 69	ME895621	1.30	1.23	1.06	1.25	0.03	1.29	1.26	1.19	1.07	1.15	1.19	1.07	1.26	1.17	1.16	1.16	1.19	1.14	1.23	0.95	0.94	0.98	0.92	1.17	0.93	0.93	0.91	0.92	0.92	0.91	0.91	0.92	0.90	0.92	0.92	0.90	0.93	0.95	1.21	1.30	1.32
Folic 295	ME895658	0.85	0.49	0.59	0.79	0.03	0.74	0.80	0.51	0.63	0.55	0.70	0.56	0.58	0.61	0.64	0.69	0.71	0.73	0.65	1.23	1.21	1.31	1.22	1.21	1.29	1.30	1.31	1.32	1.24	1.30	1.29	1.25	1.37	1.38	1.32	1.31	1.27	1.23	1.24	3.52	3.69
Leucine 86	ME895622	1.77	2.16	1.90	1.38	0.01	1.76	1.91	1.78	1.23	0.93	1.71	1.52	1.86	1.69	1.19	1.19	1.69	1.22	1.71	0.60	0.60	0.65	0.59	0.80	0.59	0.61	0.60	0.59	0.60	0.57	0.60	0.60	0.59	0.60	0.60	0.59	0.60	0.61	0.85	0.93	0.89
Histidine 83	ME895632	0.83	0.75	0.67	0.81	0.02	0.81	0.81	0.75	0.75	0.72	0.79	0.71	0.79	0.79	0.79	0.77	0.78	0.77	0.80	1.26	1.26	1.34	1.28	1.36	1.24	1.27	1.24	1.26	1.22	1.28	1.27	1.24	1.25	1.23	1.24	1.24	1.22	1.25	1.42	2.03	2.02
Cyanocobalamin 457	ME895672	0.14	0.07	0.09	0.15	0.02	0.12	0.17	0.18	0.07	0.12	0.14	0.08	0.11	0.16	0.15	0.09	0.13	0.15	0.08	0.19	0.11	0.18	0.16	0.12	0.15	0.18	0.14	0.15	0.18	0.20	0.12	0.18	0.14	0.15	0.22	0.14	0.14	0.11	0.17	24.47	31.50
Fasnall 218	ME895649	1.27	0.60	0.60	1.12	0.66	1.34	1.26	0.89	1.73	1.35	1.30	1.00	1.34	1.19	1.07	1.26	0.76	1.06	0.91	0.55	0.96	1.42	1.08	0.79	1.24	0.84	0.62	0.59	1.19	1.20	0.70	0.81	0.93	0.93	0.93	0.96	1.17	0.99	0.80	0.65	1.22
Glutamine 130	ME895627	1.39	1.44	1.09	1.31	0.04	1.35	1.24	1.16	1.29	1.26	1.28	1.05	1.65	1.08	1.20	1.01	1.14	1.02	1.17	0.82	0.89	0.93	0.84	1.01	0.91	0.85	0.82	0.86	0.86	0.92	0.85	0.84	0.82	0.89	0.85	0.87	0.82	0.91	1.14	1.87	1.98
Lysine 84	ME895628	0.73	0.46	0.60	0.69	0.02	0.71	0.72	0.49	0.65	0.54	0.73	0.55	0.74	0.56	0.61	0.62	0.66	0.61	0.72	1.14	1.11	1.32	1.08	1.69	1.15	1.11	1.10	1.13	1.09	1.12	1.12	1.13	1.03	1.09	1.05	1.09	1.08	1.11	1.68	5.21	5.39
Malonyl-CoA 303	ME895677	0.47	0.49	0.41	0.47	0.00	0.44	0.45	0.46	1.93	0.47	6.19	0.47	15.29	0.51	3.06	0.52	6.74	0.54	9.16	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	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:cerulenin \| Drug Treatment:0.5 uM cerulenin
F2	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:cerulenin \| Drug Treatment:2.0 uM cerulenin
F3	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:cerulenin \| Drug Treatment:20 uM cerulenin
F4	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:cerulenin \| Drug Treatment:4.0 uM cerulenin
F5	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:cerulenin \| Drug Treatment:50 uM cerulenin
F6	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:cerulenin \| Drug Treatment:6.0 uM cerulenin
F7	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:NA \| Drug Treatment:Control
F8	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-2640 \| Drug Treatment:1 nM TVB-2640
F9	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-2640 \| Drug Treatment:200 nM TVB-2640
F10	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-2640 \| Drug Treatment:20 nM TVB-2640
F11	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-2640 \| Drug Treatment:500 nM TVB-2640
F12	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-2640 \| Drug Treatment:50 nM TVB-2640
F13	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-2640 \| Drug Treatment:5 uM TVB-2640
F14	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-3166 \| Drug Treatment:1 nM TVB-3166
F15	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-3166 \| Drug Treatment:200 nM TVB-3166
F16	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-3166 \| Drug Treatment:20 nM TVB-3166
F17	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-3166 \| Drug Treatment:500 nM TVB-3166
F18	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-3166 \| Drug Treatment:50 nM TVB-3166
F19	Sample source:BT-474 Breast cancer cells \| Sample Type:Intracellular \| Drug:TVB-3166 \| Drug Treatment:5 uM TVB-3166
F20	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:cerulenin \| Drug Treatment:0.5 uM cerulenin
F21	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:cerulenin \| Drug Treatment:2.0 uM cerulenin
F22	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:cerulenin \| Drug Treatment:20 uM cerulenin
F23	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:cerulenin \| Drug Treatment:4.0 uM cerulenin
F24	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:cerulenin \| Drug Treatment:50 uM cerulenin
F25	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:cerulenin \| Drug Treatment:6.0 uM cerulenin
F26	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:NA \| Drug Treatment:Control
F27	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-2640 \| Drug Treatment:1 nM TVB-2640
F28	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-2640 \| Drug Treatment:200 nM TVB-2640
F29	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-2640 \| Drug Treatment:20 nM TVB-2640
F30	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-2640 \| Drug Treatment:500 nM TVB-2640
F31	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-2640 \| Drug Treatment:50 nM TVB-2640
F32	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-2640 \| Drug Treatment:5 uM TVB-2640
F33	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-3166 \| Drug Treatment:1 nM TVB-3166
F34	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-3166 \| Drug Treatment:200 nM TVB-3166
F35	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-3166 \| Drug Treatment:20 nM TVB-3166
F36	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-3166 \| Drug Treatment:500 nM TVB-3166
F37	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-3166 \| Drug Treatment:50 nM TVB-3166
F38	Sample source:BT-474 Breast cancer cells \| Sample Type:Medium \| Drug:TVB-3166 \| Drug Treatment:5 uM TVB-3166
F39	Sample source:NA \| Sample Type:Medium \| Drug:NA \| Drug Treatment:NA
F40	Sample source:NA \| Sample Type:QC \| Drug:- \| Drug Treatment:NA
F41	Sample source:NA \| Sample Type:QC \| Drug:NA \| Drug Treatment:NA

Data matrix