Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000695)

(Analysis AN001075)

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	F42	F43	F44	F45	F46	F47
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)-	ME195628	0.34	0.38	0.40	1.30	0.44	1.25	0.85	0.72	0.40	0.59	0.25	1.07	1.68	1.39	0.52	2.44	0.81	0.57	2.88	0.92	2.81	2.48	0.80	0.59	0.98	0.89	0.99	1.25	0.48	0.66	1.19	0.90	0.79	0.93	0.74	1.38	0.37	1.78	0.93	1.58	0.48	1.52	0.75	0.35	0.67	0.33	NA
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-	ME195689	1.09	1.12	0.72	1.05	0.90	1.10	1.20	1.05	1.28	1.16	1.10	0.83	1.24	0.96	1.08	0.93	1.08	1.03	0.44	0.85	0.82	0.98	0.86	0.63	0.99	NA	0.90	1.00	NA	0.95	1.80	0.90	0.97	0.97	0.89	0.72	1.35	1.33	0.82	0.76	0.93	1.16	0.67	0.82	0.58	1.09	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-	ME195604	0.39	0.64	1.31	1.41	0.78	1.31	1.00	0.49	0.95	1.01	0.77	1.14	2.52	1.03	0.75	0.83	0.93	0.88	1.89	0.50	1.09	0.67	1.22	0.91	1.11	0.63	0.90	0.94	0.67	1.03	0.86	1.36	0.72	1.43	0.73	1.44	0.78	1.47	0.67	0.86	0.75	1.36	1.12	0.77	1.95	0.74	NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-	ME195656	0.90	NA	0.92	0.95	0.97	1.09	1.05	0.69	1.09	1.03	1.08	1.03	0.98	0.78	0.78	0.90	1.19	1.15	1.49	0.87	1.00	1.03	0.84	0.83	0.87	0.95	0.95	1.06	0.76	0.90	0.96	1.26	0.96	1.48	0.86	0.97	0.84	1.27	1.10	0.98	0.95	0.87	0.84	0.84	NA	1.13	NA
CATECHOL (CAS# 120-80-9); (M-H)-	ME195671	1.58	0.75	0.71	1.14	0.76	1.02	1.24	0.60	1.08	1.37	0.45	1.28	NA	0.47	0.79	1.01	0.86	1.14	1.86	0.70	0.49	0.38	1.16	NA	1.08	3.57	0.89	0.43	0.43	0.60	1.83	0.41	4.40	1.45	0.48	0.58	0.91	0.95	1.32	0.45	0.65	0.68	1.32	0.72	NA	1.18	NA
CITRATE (CAS# 77-92-9); (M-H)-	ME195680	3.09	3.89	0.34	0.65	0.50	1.15	2.18	1.52	2.28	0.83	0.80	1.24	0.41	0.04	0.71	1.12	0.77	0.50	1.02	0.79	0.64	0.92	0.81	0.25	1.09	0.33	1.86	0.89	1.23	0.30	1.29	0.97	1.46	1.64	1.30	0.84	0.37	1.67	1.02	0.35	0.27	0.31	0.65	1.46	0.69	1.11	NA
CELLOBIOSE (CAS# 528-50-7); (M+CL)-	ME195672	1.29	1.53	1.55	0.89	0.85	0.80	1.55	1.06	0.47	1.45	1.03	0.46	0.60	0.65	0.55	NA	0.30	0.77	0.44	0.18	1.07	0.52	NA	0.44	1.08	NA	1.37	0.36	0.30	0.34	1.20	0.36	1.11	0.69	0.32	1.07	4.53	1.23	0.46	0.32	2.83	0.34	NA	0.40	0.21	0.49	NA
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-	ME195678	1.07	1.12	0.86	1.02	0.95	1.10	1.00	0.93	0.91	0.86	1.07	0.93	1.24	1.06	0.87	0.82	1.12	1.20	0.96	0.84	1.15	0.95	1.14	1.04	1.05	1.26	0.80	1.12	0.97	1.16	1.02	1.07	0.91	1.07	0.99	0.83	1.07	1.19	1.16	0.89	1.10	1.27	0.94	1.02	0.72	0.93	NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-	ME195596	1.65	0.97	NA	1.31	0.82	0.94	1.35	0.74	1.17	0.88	1.35	1.50	NA	NA	NA	0.50	1.07	0.83	0.77	0.87	NA	1.13	1.18	NA	1.14	NA	NA	NA	NA	NA	1.08	0.99	0.65	1.03	0.96	NA	NA	1.70	0.72	0.78	0.77	NA	1.18	0.75	0.52	0.71	NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-	ME195610	0.38	0.98	0.87	0.83	1.10	0.88	NA	NA	1.05	0.72	1.08	0.81	1.25	0.60	1.10	0.51	0.94	1.25	0.61	0.79	0.73	0.52	0.73	0.42	1.18	0.86	1.10	0.91	1.49	1.84	1.06	1.53	0.87	1.34	0.93	1.06	1.12	1.19	1.50	1.05	1.07	0.97	1.23	1.07	0.88	0.86	NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-	ME195623	1.37	1.38	1.04	1.15	0.39	1.16	3.18	1.83	0.75	1.14	1.01	0.81	0.62	0.41	0.84	1.40	0.96	0.84	NA	0.66	0.80	0.90	0.75	0.52	1.16	0.84	1.11	NA	NA	NA	0.91	0.85	NA	1.05	0.58	0.51	1.36	1.49	1.15	0.77	1.15	2.61	0.61	1.20	NA	0.39	NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-	ME195651	0.94	0.98	0.76	1.03	0.73	NA	1.01	1.37	1.10	0.72	1.10	0.70	0.89	0.70	0.68	1.02	1.05	0.96	1.11	0.66	1.23	1.24	1.61	1.28	1.48	0.65	0.86	NA	0.77	0.91	0.90	1.39	1.41	1.24	1.44	0.45	0.88	NA	1.18	0.54	1.50	1.60	0.87	0.89	NA	0.62	NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-	ME195637	1.62	1.24	0.89	1.08	0.81	1.26	1.06	0.58	1.23	0.77	0.93	0.95	1.29	0.59	0.68	1.12	1.21	0.96	1.77	0.97	0.85	0.88	0.99	1.09	1.15	1.30	0.71	1.31	0.76	0.86	0.95	1.45	0.70	1.29	1.04	0.81	0.73	1.63	1.00	0.78	0.90	1.66	1.09	1.23	0.54	0.94	NA
ARABITOL (CAS# 7643-75-6); (M+HCOO)-	ME195657	8.09	3.65	1.07	0.54	1.55	0.73	0.57	1.19	1.31	0.78	0.92	0.89	NA	NA	0.94	0.31	0.87	2.74	0.44	NA	0.40	NA	1.11	0.35	0.63	0.73	NA	0.51	NA	NA	0.84	0.62	1.14	1.18	0.28	0.35	NA	NA	0.98	0.52	NA	NA	NA	0.37	NA	0.72	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-	ME195603	1.12	NA	1.48	0.78	1.27	0.96	0.32	NA	0.28	0.88	0.62	0.52	0.73	NA	0.51	0.18	NA	1.03	0.42	NA	1.70	1.33	0.24	NA	1.95	1.61	0.90	0.25	NA	NA	0.96	0.45	1.63	1.18	1.76	1.58	0.47	3.85	NA	NA	0.57	0.52	NA	0.24	NA	1.09	NA
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-	ME195699	0.92	0.94	0.93	0.94	0.78	1.19	0.68	0.57	1.11	0.88	1.01	1.07	1.35	NA	0.75	0.93	1.31	0.95	1.05	1.10	1.01	1.02	NA	1.05	0.98	1.02	0.77	1.01	0.95	1.02	1.28	1.25	0.88	1.34	1.20	0.94	0.58	0.62	1.11	1.00	0.84	1.56	1.07	1.23	1.02	1.01	NA
CORTISOL (CAS# 50-23-7); (M+HCOO)-	ME195685	1.92	0.78	0.70	0.61	0.83	1.03	0.88	1.07	1.11	0.73	0.78	1.42	0.48	0.51	0.98	0.70	0.73	1.03	1.49	1.60	0.59	0.87	0.98	1.42	1.02	0.89	1.09	1.54	0.86	0.94	1.26	1.26	0.83	1.28	0.64	0.77	0.56	1.87	0.85	0.54	1.13	1.72	1.44	1.10	1.69	1.24	NA
BEHENIC ACID (CAS# 112-85-6); (M-H)-	ME195661	0.57	0.67	1.00	0.81	0.47	1.55	1.59	0.60	1.21	0.70	1.07	1.09	1.92	0.70	0.59	0.99	1.49	0.82	1.79	0.54	0.73	0.60	0.99	0.70	1.69	1.01	0.98	0.98	0.87	0.85	0.64	1.71	0.53	2.03	0.49	1.10	0.44	0.84	0.91	1.03	0.62	0.86	1.18	1.11	2.14	1.15	NA
DECANOATE (CAS# 334-48-5); (M-H)-	ME195697	1.87	1.05	0.69	0.98	0.95	0.89	0.95	0.78	1.35	0.98	1.19	0.83	0.89	0.89	0.70	1.24	0.68	1.39	1.16	0.90	0.85	0.32	0.90	0.96	1.06	1.15	0.94	0.81	NA	0.89	0.76	0.85	0.91	1.24	1.17	0.81	1.37	1.35	1.21	0.72	1.59	1.04	0.57	0.56	NA	0.85	NA
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-	ME195703	0.77	0.93	0.56	1.06	0.55	1.61	0.95	0.75	0.60	0.99	0.68	1.19	1.06	0.62	0.51	2.08	1.28	0.80	2.32	1.09	1.20	1.19	1.00	0.74	0.88	0.55	0.82	0.80	0.98	0.86	1.00	1.02	1.21	1.37	0.97	0.67	0.68	1.50	1.78	0.55	0.92	1.72	0.57	0.89	0.85	1.01	NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-	ME195615	0.75	0.97	0.73	1.34	0.95	1.11	NA	NA	0.77	0.84	0.33	1.01	NA	NA	2.29	2.07	0.46	0.82	1.63	NA	0.51	0.65	0.54	NA	0.81	NA	0.62	0.70	NA	0.40	1.65	0.84	1.00	0.91	3.24	0.59	0.65	0.61	2.14	NA	1.36	0.52	NA	0.65	NA	0.59	NA
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-	ME195624	1.20	0.36	0.54	NA	0.40	0.75	2.37	NA	NA	NA	NA	0.50	1.77	NA	NA	1.04	0.25	1.32	1.28	0.76	1.07	0.65	NA	NA	0.35	NA	0.81	0.22	0.56	NA	0.45	2.69	NA	NA	1.25	NA	1.10	3.13	1.50	0.15	1.02	1.42	NA	NA	NA	NA	NA
AZELAIC ACID (CAS# 123-99-9); (M-H)-	ME195660	1.07	1.24	0.70	1.04	0.88	1.08	1.18	1.03	1.26	1.14	1.02	0.81	1.07	0.94	1.01	1.43	1.02	1.07	0.44	0.84	0.87	0.89	0.84	0.62	1.01	NA	0.92	1.15	NA	0.94	1.67	0.93	0.96	0.96	0.88	0.82	1.32	1.31	0.75	0.93	0.96	1.31	0.66	0.80	0.57	1.20	NA
CORTISOL (CAS# 50-23-7); (M+CL)-	ME195684	1.84	0.76	0.72	0.61	0.83	1.01	0.85	1.09	1.05	0.70	0.77	1.49	0.44	0.50	1.03	0.73	0.72	1.00	1.55	1.62	0.56	0.88	0.88	1.47	1.03	0.88	1.10	1.52	0.85	0.86	1.28	1.28	0.78	1.26	0.65	0.78	0.55	1.97	0.87	0.50	1.10	1.78	1.40	1.10	1.83	1.24	NA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-	ME195658	0.92	0.84	0.78	0.83	0.53	1.35	1.42	0.63	1.10	0.77	1.16	0.92	1.58	0.61	0.69	0.77	1.59	1.18	1.49	0.63	0.82	0.68	1.06	0.81	1.11	0.92	1.16	0.92	0.88	0.97	0.78	1.44	0.86	1.99	0.66	1.04	0.60	1.38	1.25	1.19	0.80	0.54	1.04	0.70	1.70	1.13	NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-	ME195677	1.03	1.02	0.88	1.06	0.93	1.09	1.08	0.97	0.99	0.86	1.17	0.93	1.22	1.07	0.89	0.84	1.14	1.19	0.94	0.84	1.10	0.94	1.18	1.07	1.05	1.24	0.81	1.08	0.97	1.11	1.01	1.08	0.86	1.08	1.03	0.86	1.03	1.18	1.14	0.85	1.08	1.23	0.97	0.99	0.71	0.94	NA
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-	ME195598	1.17	0.58	0.57	1.20	0.88	0.69	0.83	0.90	1.53	1.51	0.91	1.89	0.62	0.14	0.54	0.62	0.72	2.73	0.59	0.83	0.77	0.97	0.53	0.26	0.76	0.98	2.06	0.68	NA	NA	1.13	0.80	1.68	1.48	NA	0.43	0.69	0.39	0.96	0.43	NA	0.54	1.50	1.09	0.52	2.17	NA
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)-	ME195626	6.20	3.12	0.91	0.87	0.70	0.56	0.23	0.49	1.97	1.00	1.09	0.88	1.09	0.05	0.36	0.49	0.74	2.46	0.42	0.90	0.65	0.83	4.60	1.18	0.78	1.32	1.13	0.69	0.10	NA	2.04	0.30	1.42	1.32	0.23	0.18	0.33	0.32	0.34	0.32	0.60	0.26	0.27	1.22	0.42	1.26	NA
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-	ME195648	1.89	1.21	0.55	1.07	0.82	0.81	1.05	0.76	1.20	0.87	1.24	0.89	1.29	0.56	0.72	0.85	0.98	1.10	1.50	0.70	0.88	0.81	1.27	0.54	1.19	1.28	1.16	0.92	0.51	0.61	1.20	1.43	1.14	1.48	0.85	1.16	0.86	1.28	1.16	0.80	0.72	1.63	0.82	0.97	0.53	0.77	NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-	ME195633	1.40	1.42	1.06	1.17	0.40	1.18	3.24	1.88	0.76	1.16	1.04	0.83	0.64	0.42	0.86	1.43	0.99	0.86	NA	0.67	0.82	0.92	0.77	0.53	1.19	0.85	1.13	NA	NA	NA	0.93	0.88	NA	1.15	0.59	0.52	1.37	1.53	1.17	0.78	0.77	2.47	0.62	1.13	NA	0.40	NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-	ME195620	1.15	1.65	0.83	1.29	1.05	1.32	2.48	1.64	1.43	0.83	1.17	1.04	1.74	1.12	0.49	0.74	0.98	0.93	1.09	0.67	0.85	0.69	1.04	0.67	0.99	0.86	0.62	1.04	0.79	0.60	1.18	1.65	1.53	1.14	1.21	0.60	1.05	0.69	1.26	0.83	0.73	1.09	0.89	1.16	0.45	0.84	NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]	ME195653	2.65	2.42	0.65	1.22	0.57	1.07	NA	1.29	1.40	0.86	0.85	1.22	0.97	0.47	0.59	1.85	1.22	0.61	0.89	1.17	0.55	1.28	1.89	1.91	1.22	NA	0.85	0.84	0.71	0.39	1.49	1.05	0.68	1.81	0.62	0.80	0.46	1.78	1.18	0.53	0.61	1.79	0.18	1.19	0.56	0.94	NA
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-	ME195666	1.30	1.55	1.56	0.89	0.85	0.80	1.57	1.07	0.47	1.46	1.04	0.47	0.60	0.66	0.54	NA	0.30	0.77	0.44	0.18	1.07	0.52	0.58	0.45	1.09	NA	1.37	0.36	0.30	0.34	1.21	0.36	1.12	0.70	0.32	1.08	4.56	1.24	0.46	0.33	2.85	0.34	NA	0.40	0.21	0.49	NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-	ME195629	1.55	1.82	0.78	0.79	0.19	0.83	1.52	1.46	1.02	1.53	NA	1.05	NA	NA	0.50	0.35	NA	0.78	0.62	0.97	1.16	0.84	1.63	NA	0.86	NA	1.20	0.44	NA	NA	0.56	1.13	0.74	0.88	0.63	0.73	NA	3.12	1.04	NA	NA	1.67	NA	0.74	NA	NA	NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-	ME195700	0.56	0.92	0.27	0.51	0.19	0.64	2.16	NA	1.57	1.33	0.68	1.34	NA	0.21	0.94	1.73	0.60	0.65	2.03	1.42	0.55	2.32	NA	NA	0.74	0.59	0.28	1.93	NA	NA	1.88	NA	1.88	NA	NA	0.38	0.98	2.50	0.42	NA	0.67	NA	NA	1.19	0.37	0.97	NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-	ME195625	0.95	0.99	0.77	1.04	0.73	NA	1.01	1.38	1.11	0.73	1.11	0.71	0.89	0.71	0.67	1.03	1.01	0.97	1.12	0.66	1.24	1.25	1.62	1.29	1.44	0.66	0.86	NA	0.77	0.92	0.91	1.40	1.42	1.20	1.46	0.46	0.89	NA	1.19	0.54	1.51	1.61	0.87	0.90	NA	0.63	NA
D-LYXOSE (CAS# 1114-34-7); (M-H)-	ME195693	1.06	1.91	0.77	1.03	0.49	1.27	2.09	1.40	0.77	3.28	0.41	0.93	0.33	NA	0.71	0.88	0.38	0.88	1.93	0.15	0.33	NA	1.00	NA	1.18	1.62	1.21	NA	NA	NA	1.09	0.63	1.18	1.31	0.49	NA	0.89	1.13	1.50	0.21	0.49	0.72	NA	NA	NA	NA	NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-	ME195612	0.75	1.28	0.50	1.24	0.65	1.44	1.03	0.93	1.94	0.81	1.13	1.19	1.05	0.78	0.39	1.88	0.87	0.70	4.01	0.80	1.05	0.94	NA	1.54	0.88	NA	0.59	0.76	0.89	1.14	1.05	1.46	0.70	1.73	1.07	0.56	0.46	1.03	1.31	0.58	0.63	0.03	0.77	1.14	0.47	0.92	NA
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-	ME195606	0.62	0.81	1.21	1.34	0.55	1.56	1.77	0.78	0.85	0.81	1.12	1.30	2.55	0.91	0.62	1.01	1.55	0.82	1.23	0.68	0.95	0.71	1.98	1.18	1.12	0.44	1.21	0.77	0.48	0.58	0.89	1.28	0.65	1.23	0.92	0.97	0.56	0.91	0.86	0.82	0.53	1.24	1.23	1.11	1.89	0.47	NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-	ME195600	NA	NA	0.44	0.85	0.39	1.15	2.48	0.37	1.45	0.61	1.27	NA	2.76	0.79	NA	NA	1.24	NA	NA	NA	0.63	NA	1.21	NA	0.47	NA	0.61	0.78	NA	NA	1.51	1.38	0.62	1.58	NA	1.65	1.10	NA	0.24	1.13	NA	NA	0.89	0.68	1.54	0.26	NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-	ME195607	0.71	0.88	1.04	1.26	0.53	1.68	2.93	1.40	1.35	0.51	1.59	1.18	2.07	0.67	0.58	0.84	1.43	0.73	1.87	0.69	0.87	0.66	0.21	0.63	1.20	0.53	1.04	1.11	0.50	0.68	0.43	1.67	0.55	1.83	0.46	0.99	0.54	1.43	0.80	0.82	0.29	1.44	1.95	0.76	2.75	0.72	NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-	ME195622	2.66	2.36	0.46	1.18	0.57	1.01	NA	1.28	1.26	0.85	0.87	1.37	0.96	0.47	0.59	1.73	1.21	0.61	1.27	1.16	0.65	1.27	1.88	1.89	1.16	NA	0.88	0.83	0.72	0.38	1.47	1.18	0.60	1.79	1.07	0.79	0.46	1.73	0.93	0.53	0.73	1.77	0.41	1.14	0.63	0.76	NA
ARACHIDONATE (CAS# 506-32-1); (M-H)-	ME195659	1.18	1.25	0.67	1.13	0.73	0.99	1.34	1.04	0.91	1.01	0.94	0.99	1.42	0.94	0.68	0.85	1.26	0.96	1.22	0.98	0.86	0.81	1.17	0.98	0.78	1.43	0.85	1.23	0.87	0.91	1.15	1.40	1.07	1.44	0.66	1.13	0.92	1.36	0.88	0.99	0.94	1.49	1.14	0.96	1.15	1.21	NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)-	ME195639	0.92	0.99	2.11	1.35	0.95	1.01	0.91	0.49	0.84	NA	0.94	0.82	1.10	NA	0.73	0.74	1.16	1.53	0.76	0.67	0.96	0.79	0.91	1.24	1.01	NA	0.87	1.01	NA	0.91	0.80	0.95	0.79	1.37	0.90	NA	1.06	1.03	1.19	0.90	1.29	1.13	NA	0.97	0.41	0.70	NA
BENZOATE (CAS# 65-85-0); (M-H)-	ME195663	1.30	1.31	0.77	1.09	0.87	1.09	3.00	1.73	0.72	1.07	0.90	0.76	0.59	0.39	0.59	1.32	0.91	0.79	NA	0.62	0.76	0.86	0.71	0.49	1.17	1.73	1.04	2.02	NA	1.02	0.86	0.89	1.47	1.58	0.55	0.48	0.83	1.41	1.15	0.73	0.71	2.28	0.58	1.05	NA	NA	NA
CORTISONE (CAS# 53-06-5); (M+CL)-	ME195687	1.06	0.68	0.74	0.68	0.91	0.77	0.59	0.72	1.01	0.90	0.86	1.29	0.73	0.64	0.97	0.92	0.98	0.94	1.24	1.34	0.68	0.97	0.79	0.94	1.00	1.31	0.90	1.37	1.06	1.26	1.01	1.27	0.82	1.25	0.85	0.99	0.73	2.17	1.17	0.82	0.96	1.77	1.44	1.49	1.29	1.35	NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-	ME195701	NA	0.98	0.53	0.17	1.15	0.84	NA	NA	1.54	0.89	1.33	1.38	1.08	0.51	1.00	0.78	0.99	0.75	0.55	1.33	0.66	1.51	0.95	NA	1.12	1.10	1.04	1.21	NA	0.40	1.10	0.53	0.92	1.58	0.67	1.13	0.79	1.88	1.27	1.29	0.73	1.62	0.70	1.24	NA	0.97	NA
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-	ME195674	0.93	0.69	0.70	0.83	0.61	1.46	1.01	0.37	0.90	0.76	1.24	1.19	1.31	0.39	0.53	0.84	1.76	1.07	1.88	0.69	0.97	0.94	1.29	0.69	0.90	0.52	1.06	0.57	0.54	0.57	0.83	1.61	0.75	2.53	0.66	1.07	0.29	2.02	1.22	1.22	0.57	0.68	0.81	0.87	1.98	1.32	NA
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-	ME195692	3.70	2.63	1.00	1.24	1.16	1.25	0.82	1.08	1.36	0.82	1.14	0.58	0.58	0.39	0.70	1.01	0.66	1.23	0.76	0.62	0.86	0.60	2.62	1.09	1.26	0.98	1.72	0.82	0.79	0.66	0.85	0.99	1.15	0.93	0.51	0.69	0.54	2.31	1.12	NA	0.63	0.88	0.24	0.90	0.49	0.52	NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-	ME195643	NA	0.93	1.45	1.08	1.64	1.10	1.65	1.78	1.12	0.63	0.62	0.92	NA	NA	0.59	0.78	1.12	1.13	1.04	NA	1.57	1.76	NA	0.45	1.23	0.97	0.65	0.99	0.84	NA	0.81	1.49	0.94	0.71	0.71	0.63	1.05	1.06	0.56	0.60	0.98	0.99	0.95	1.27	0.54	0.93	NA
CORTISONE (CAS# 53-06-5); (M+HCOO)-	ME195688	1.04	0.74	0.72	0.67	0.91	0.81	0.55	0.65	1.13	0.86	0.87	1.27	0.74	0.63	0.93	0.91	0.99	0.96	1.20	1.39	0.73	0.92	0.82	0.86	1.00	1.25	0.94	1.50	1.02	1.24	1.03	1.29	0.78	1.23	0.86	0.96	0.74	2.11	1.22	0.83	0.98	1.76	1.46	1.52	1.23	1.29	NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-	ME195690	3.84	2.78	0.89	1.23	1.14	1.24	0.83	1.12	1.34	0.81	1.13	0.57	0.57	0.39	0.71	1.00	0.76	1.19	0.75	0.61	0.86	0.60	2.60	1.08	1.25	0.97	1.69	0.81	0.78	0.65	0.99	1.02	1.14	0.91	0.51	0.68	0.53	2.28	1.11	NA	0.63	0.87	0.24	0.89	0.38	0.52	NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-	ME195614	0.95	0.99	0.77	1.04	0.73	NA	0.82	1.38	1.11	0.73	1.11	0.71	0.90	0.71	0.69	0.82	1.06	0.97	1.12	0.66	1.24	1.25	1.62	1.29	1.49	0.66	0.86	NA	0.77	0.92	0.91	1.41	1.42	1.19	1.46	0.46	0.89	NA	1.19	0.55	1.51	1.62	0.87	0.90	NA	0.63	NA
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-	ME195641	2.18	0.54	0.65	0.36	0.48	0.66	0.55	0.30	0.32	2.19	0.43	0.49	0.12	NA	0.25	2.31	0.36	0.47	1.78	0.40	0.22	0.38	0.61	NA	4.10	0.39	0.60	0.21	NA	0.18	0.55	1.06	0.65	0.79	2.08	1.88	0.56	2.96	3.52	0.15	0.42	1.27	0.22	1.66	NA	0.36	NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-	ME195676	1.02	0.86	0.87	0.93	1.00	1.01	1.04	0.72	1.15	1.01	1.09	0.98	0.84	0.74	0.76	0.83	1.19	1.29	1.41	0.88	0.98	0.93	0.89	0.83	0.90	1.02	0.93	1.01	0.77	0.96	0.99	1.27	0.93	1.47	0.83	0.96	0.80	1.44	1.20	1.04	0.96	0.93	0.88	0.89	1.00	1.17	NA
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)-	ME195599	5.52	2.78	0.81	1.01	0.79	0.75	0.20	0.44	1.75	1.00	1.05	0.79	0.97	0.04	0.37	0.67	0.66	2.21	0.41	0.74	0.83	0.52	4.10	1.09	0.95	1.18	1.01	0.61	0.09	NA	1.62	0.59	1.27	1.88	0.24	0.49	0.30	0.29	0.63	0.46	0.53	0.34	1.41	1.09	0.47	1.11	NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-	ME195636	1.62	1.24	0.89	1.08	0.81	1.26	1.06	0.58	1.23	0.77	0.93	0.96	1.29	0.59	0.68	1.12	1.21	0.96	1.77	0.97	0.85	0.88	0.99	1.09	1.15	1.30	0.71	1.31	0.76	0.86	0.95	1.45	0.70	1.29	1.04	0.81	0.73	1.63	1.00	0.78	0.90	1.65	1.09	1.23	0.54	0.94	NA

Factors:

F1	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Exemestane \| Race:Black \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F2	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Exemestane \| Race:Black \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F3	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F4	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F5	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F6	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F7	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Letrozole \| Race:Black \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F8	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Letrozole \| Race:Black \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F9	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F10	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F11	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F12	CASE_CONTROL:Case \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F13	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:Black \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:Y
F14	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:Black \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:Y
F15	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:Y
F16	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F17	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:Y
F18	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:Y
F19	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F20	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:Y
F21	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:Y
F22	CASE_CONTROL:Case \| Chemotherapy:Y \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:Y
F23	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Exemestane \| Race:Black \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F24	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Exemestane \| Race:Black \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F25	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F26	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F27	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F28	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F29	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Letrozole \| Race:Black \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F30	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Letrozole \| Race:Black \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F31	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F32	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F33	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F34	CASE_CONTROL:Control \| Chemotherapy:N \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F35	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:N
F36	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:N \| Taxane:Y
F37	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F38	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:Y
F39	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:N
F40	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:N \| Taxane:Y
F41	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F42	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Exemestane \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:Y
F43	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:N
F44	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Letrozole \| Race:White \| TIMEPOINT:3 Month \| Tamoxyfen:Y \| Taxane:Y
F45	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:N
F46	CASE_CONTROL:Control \| Chemotherapy:Y \| Drug:Letrozole \| Race:White \| TIMEPOINT:Baseline \| Tamoxyfen:Y \| Taxane:Y
F47	CASE_CONTROL:POOLED \| Chemotherapy:POOLED \| Drug:POOLED \| Race:POOLED \| TIMEPOINT:POOLED \| Tamoxyfen:- \| Taxane:-

Data matrix