Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003365)

HILIC NEGATIVE ION MODE (Analysis AN005514)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
Citric 111	ME881623	2.01	0.77	1.40	0.08	2.00	0.19	0.97	NA	NA	NA
Oxaloacetic 87	ME881603	2.46	1.30	1.41	0.19	1.74	0.55	0.96	0.16	0.20	0.20
Malonic 59	ME881596	4.15	0.17	0.75	0.29	2.83	0.27	0.31	0.11	0.17	0.11
Ketoglutaric 101	ME881609	1.62	1.17	1.75	0.57	1.65	0.63	1.25	0.26	0.26	0.19
NADH 335	ME881636	0.88	1.39	0.73	0.74	0.85	1.69	0.73	NA	NA	NA
Phenol Red 195	ME881631	0.97	0.97	0.93	1.19	0.74	1.39	0.99	0.53	0.58	1.28
Phenol Red 93	ME881630	1.15	1.02	1.02	1.25	0.90	1.22	1.17	0.49	0.91	0.63
Malonyl-CoA 426	ME881641	1.87	0.01	0.65	NA	1.77	NA	0.05	NA	NA	NA
Pyruvic 32	ME881591	0.59	1.99	0.62	1.02	0.59	2.12	0.77	0.29	0.00	0.95
Phenylalanine 147	ME881615	0.94	0.88	0.92	1.99	0.91	1.03	0.86	1.07	1.06	0.72
Succinic 99	ME881600	1.94	0.09	0.95	NA	1.64	NA	0.38	NA	NA	NA
HEPES 80	ME881625	0.18	0.14	0.18	0.14	0.16	0.16	0.17	0.21	0.00	5.24
myo-Inositol 161	ME881622	1.29	1.03	1.36	1.09	1.22	1.09	1.32	0.85	0.87	0.13
NAD+ 540	ME881633	1.47	1.40	1.55	0.77	1.44	1.17	1.33	0.00	0.00	0.00
NADH 408	ME881635	1.11	1.73	0.98	1.14	1.10	2.14	0.99	0.00	0.00	0.00
Penicillin G 289	ME881629	1.13	1.19	1.11	1.05	1.05	1.30	1.12	1.85	1.81	0.00
Serine 74	ME881597	1.09	1.00	1.06	1.53	1.08	0.95	1.01	1.15	1.33	0.45
Malonyl-CoA 408	ME881640	3.71	0.24	1.49	0.01	3.12	0.13	0.28	0.00	0.00	0.00
Succinic 73	ME881599	3.04	0.38	1.73	0.13	2.62	0.16	0.83	0.11	0.10	0.04
Phenylalanine 72	ME881616	0.82	0.79	0.82	1.80	0.79	0.89	0.76	0.96	0.92	2.03
Propionic PARENT	ME881590	1.57	1.12	1.19	0.62	1.54	0.67	0.65	0.45	0.76	1.11
Folic 311	ME881632	0.82	0.81	0.78	0.79	0.77	0.95	0.80	1.27	1.29	1.70
Cystine 120	ME881627	0.97	1.02	0.96	1.05	0.93	1.17	1.00	2.07	2.06	0.47
Cystine 74	ME881628	0.96	1.01	0.94	1.01	0.95	1.13	0.98	1.97	1.98	0.53
Fumaric 71	ME881598	1.66	1.54	1.64	0.43	1.67	0.71	1.40	0.02	0.01	0.01
Citric 173	ME881624	1.47	0.82	1.11	0.07	1.38	0.17	1.09	NA	NA	NA
Formic PARENT	ME881588	1.06	1.19	1.11	1.59	0.97	0.89	0.85	1.11	0.67	0.72
Histidine 110	ME881614	0.74	0.69	0.66	1.62	0.72	0.87	0.74	1.10	1.09	3.00
Lactic 71	ME881595	0.24	1.60	0.20	2.00	0.24	2.76	0.16	0.83	NA	NA
NAD+ 273	ME881634	1.14	1.12	1.17	0.47	1.14	0.90	1.07	NA	NA	NA
Lactic 87	ME881594	0.39	1.92	0.33	2.50	0.37	3.42	0.30	1.03	0.01	0.00
Malic 115	ME881607	1.65	1.53	1.66	0.48	1.61	0.73	1.41	0.03	0.02	0.00
Taurine 80	ME881602	1.59	1.21	1.65	0.81	1.61	0.68	1.54	0.09	0.05	0.00
Cysteine PARENT	ME881601	0.92	1.17	1.04	1.09	1.34	0.85	0.87	1.45	1.26	0.69
Malic 71	ME881608	1.33	1.24	1.28	0.23	1.29	0.50	1.13	NA	NA	NA
Histidine 93	ME881613	0.85	0.81	0.78	1.86	0.84	0.92	0.79	0.91	1.02	1.36
Citrulline 131	ME881619	1.11	0.88	1.00	2.54	1.02	1.04	1.02	1.14	0.97	0.08
Ketoglutaric 57	ME881610	1.21	0.71	1.35	NA	1.01	NA	0.77	NA	NA	0.83
Glucose 59	ME881620	1.04	0.79	1.04	0.90	0.98	0.80	1.06	1.62	1.91	0.88
Glucose 71	ME881621	0.95	0.69	0.90	0.79	0.86	0.70	0.97	1.46	1.79	2.26
HEPES 107	ME881626	0.19	0.13	0.14	0.12	0.16	0.14	0.16	0.18	0.01	5.29
Acetyl-CoA 461	ME881639	1.39	0.89	1.16	0.51	1.23	0.83	1.00	NA	NA	NA
Alanine NEG PAR	ME881592	1.06	1.81	1.00	2.08	1.04	1.14	0.98	0.34	0.07	0.08
Arginine 131	ME881617	1.01	1.00	0.98	1.53	0.94	1.15	1.02	1.53	1.57	0.40
Arginine 156	ME881618	0.91	0.91	0.88	1.40	0.85	1.04	0.92	1.41	1.45	0.79
Glutamic acid 102	ME881611	1.44	1.13	1.43	1.25	1.45	0.85	1.28	0.54	0.42	0.05
Aspartic 88	ME881605	1.37	1.07	1.40	1.06	1.41	0.84	1.39	0.75	0.73	0.09
Butyric PAR	ME881593	1.08	1.05	0.89	0.96	0.97	1.15	1.15	1.25	0.90	0.88
Asparagine 113	ME881604	1.33	1.10	1.28	1.49	1.36	0.88	1.11	0.89	0.95	0.05
Aspartic 115	ME881606	1.30	0.94	1.25	0.97	1.26	0.70	1.22	0.64	0.65	0.19
Acetyl-CoA 79	ME881637	1.72	1.13	1.50	0.91	1.57	1.01	1.30	0.00	0.00	0.00
aCD 161	ME881642	0.88	0.98	1.49	1.13	0.79	0.94	1.05	0.75	0.91	0.88
aCD 101	ME881643	1.08	0.92	0.87	1.03	0.90	1.04	1.29	0.86	0.88	0.84
Glutamic acid 128	ME881612	1.41	0.96	1.36	1.07	1.38	0.61	1.16	0.34	0.27	0.09
Acetic PAR	ME881589	0.98	0.66	1.14	1.33	0.93	0.82	0.74	0.78	0.47	1.51
Acetyl-CoA 408	ME881638	1.39	0.88	1.11	0.56	1.23	0.79	1.04	NA	NA	NA

Factors:

F1	Sample source:BT-474 Breast cancer cells \| Drug Treatment:1000 nM GSK2194069
F2	Sample source:BT-474 Breast cancer cells \| Drug Treatment:1 uM Fasnall
F3	Sample source:BT-474 Breast cancer cells \| Drug Treatment:200 nM GSK2194069
F4	Sample source:BT-474 Breast cancer cells \| Drug Treatment:40 uM Fasnall
F5	Sample source:BT-474 Breast cancer cells \| Drug Treatment:500 nM GSK2194069
F6	Sample source:BT-474 Breast cancer cells \| Drug Treatment:5 uM Fasnall
F7	Sample source:BT-474 Breast cancer cells \| Drug Treatment:Control
F8	Sample source:BT-474 \| Drug Treatment:40 uM Fasnall
F9	Sample source:NA \| Drug Treatment:Control
F10	Sample source:NA \| Drug Treatment:NA

Data matrix