Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Michigan Biomarkers for Refractory Depression (Bluebird) metabolomics pilot study (Study ST000775)

Reversed phase POSITIVE ION MODE (Analysis AN001223)

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
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+	ME213619	0.80	1.11	0.46	1.00	0.97	0.96	1.06	1.03	1.09	1.04	1.08	1.09	1.06	1.04	1.07	1.03	0.90	0.72	1.10	1.08	1.00	1.02	1.03	1.00	1.02	1.01	0.63	1.09	1.05	1.09	1.20	1.16	NA
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+	ME213576	0.01	2.34	0.04	NA	0.02	2.56	0.10	NA	NA	NA	NA	NA	0.17	2.14	NA	2.55	NA	0.17	NA	0.15	NA	2.06	0.02	2.07	NA	NA	NA	0.16	0.03	NA	2.40	NA	NA
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+	ME213616	1.77	1.09	0.57	1.09	1.02	0.85	NA	1.39	0.91	1.42	0.96	0.63	0.65	0.99	0.91	0.14	0.36	0.22	0.98	0.81	0.66	1.29	0.83	1.43	NA	0.90	0.53	1.49	1.31	1.12	2.71	0.97	NA
CAFFEINE (CAS# 58-08-2); (M+H)+	ME213607	0.48	1.70	0.24	1.32	7.32	0.00	6.49	NA	0.06	2.55	NA	0.24	NA	0.05	0.05	0.05	0.59	0.09	2.06	0.10	0.42	0.01	1.15	0.37	NA	0.03	0.10	0.85	0.36	NA	0.26	0.06	NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+	ME213575	1.05	0.78	0.47	1.18	0.97	1.06	0.96	0.87	0.64	1.24	1.12	0.78	1.01	0.96	1.06	1.01	0.97	0.33	1.38	1.33	0.86	1.03	1.08	0.94	1.36	1.78	0.46	1.74	0.96	0.92	0.59	1.12	NA
CARNITINE (CAS# 541-15-1); (M+H)+	ME213609	1.06	2.83	1.34	2.53	0.73	1.26	0.70	0.79	1.12	0.87	1.47	1.29	0.78	0.93	0.49	NA	0.22	1.06	NA	0.79	0.66	0.85	0.92	2.13	0.66	0.45	0.61	0.60	0.42	0.82	0.63	0.96	NA
CHOLINE (CAS# 62-49-7); M+	ME213615	1.12	3.42	0.54	1.11	0.82	0.87	0.83	0.93	0.64	0.69	0.82	2.01	0.65	0.83	0.87	0.72	0.46	NA	0.91	0.62	0.39	1.64	0.59	1.51	0.66	0.53	0.75	1.36	1.34	0.78	2.06	0.51	NA
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+	ME213544	0.42	1.48	0.97	0.68	1.33	0.42	0.65	0.42	1.02	2.81	1.46	1.87	0.55	0.97	0.60	1.56	0.58	0.12	1.30	1.56	1.36	1.64	0.35	1.23	1.88	0.43	0.22	1.79	0.65	0.45	0.36	0.86	NA
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+	ME213605	0.32	0.25	0.18	0.41	0.64	0.57	0.95	1.59	0.65	0.91	0.74	0.69	0.89	0.55	5.61	0.89	0.66	1.01	0.80	1.09	3.57	0.39	2.87	0.69	0.43	0.78	0.53	0.58	1.41	0.70	0.13	0.49	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+	ME213543	0.33	0.66	0.84	0.69	1.04	0.95	0.80	0.64	1.22	1.86	1.38	1.65	0.83	0.90	0.92	1.12	1.14	0.49	1.56	1.35	0.87	1.80	0.63	1.56	1.27	0.78	0.33	1.42	0.62	0.87	0.43	1.05	NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+	ME213591	0.47	0.60	0.57	NA	0.36	NA	NA	0.59	4.74	0.62	0.47	0.47	NA	0.92	0.39	0.75	0.63	2.34	1.44	NA	NA	NA	0.30	0.69	NA	0.62	NA	1.26	NA	2.49	0.73	0.55	NA
CELLOBIOSE (CAS# 528-50-7); (M+NA)+	ME213612	0.62	0.93	0.54	0.64	0.59	0.49	0.34	0.67	0.86	2.46	1.36	0.61	2.23	1.56	0.45	1.24	0.50	NA	1.72	0.86	0.33	NA	0.56	1.08	NA	1.17	0.77	2.31	NA	1.22	1.15	0.72	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+	ME213542	0.28	0.60	0.80	0.63	1.03	0.91	0.75	0.56	1.23	2.14	1.42	1.81	0.77	0.85	0.86	1.10	1.12	0.42	1.67	1.40	0.81	2.06	0.55	1.70	1.29	0.75	0.26	1.57	0.54	0.79	0.35	0.97	NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+	ME213556	NA	0.82	NA	0.92	1.32	NA	1.31	0.63	0.86	1.80	0.63	1.45	NA	0.96	NA	0.89	0.64	NA	1.01	0.73	0.67	0.82	1.22	0.96	0.76	1.03	NA	1.28	NA	1.29	NA	NA	NA
CHOLATE (CAS# 81-25-4); (M+NA)+	ME213613	NA	0.05	0.73	NA	0.17	NA	NA	0.15	NA	0.40	3.26	0.38	0.98	0.13	4.63	NA	0.09	NA	4.13	NA	NA	0.06	2.90	NA	NA	NA	NA	0.25	0.08	0.33	0.07	0.22	NA
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+	ME213587	0.00	NA	NA	NA	0.01	1.46	0.00	0.00	0.00	0.00	3.84	3.45	0.01	NA	3.83	1.73	2.18	NA	0.05	0.00	NA	0.00	0.01	3.64	NA	0.02	NA	0.02	NA	0.01	2.68	0.02	NA
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+	ME213598	0.62	0.93	0.54	0.64	0.59	0.49	0.34	0.67	0.86	2.46	1.36	0.61	2.23	1.56	0.37	1.24	0.50	NA	1.83	0.86	0.33	NA	0.56	1.08	NA	1.17	0.77	2.31	NA	1.22	1.15	0.72	NA
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+	ME213555	NA	NA	0.41	0.32	1.00	0.79	1.11	NA	1.45	1.43	0.99	1.36	0.69	NA	NA	0.98	NA	0.14	1.37	1.52	0.79	0.62	0.58	0.62	1.42	1.07	NA	1.43	2.10	0.24	1.68	0.87	NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+	ME213567	0.80	NA	NA	1.20	NA	0.66	NA	0.64	0.60	1.01	0.74	NA	0.67	NA	NA	0.91	0.83	NA	1.25	0.82	NA	0.86	0.74	1.44	0.81	2.23	0.87	1.82	NA	1.09	NA	NA	NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+	ME213578	0.06	1.23	0.06	1.45	1.50	1.53	1.66	1.41	0.12	1.96	0.05	1.99	0.05	1.58	1.98	1.65	0.05	1.28	1.61	1.34	0.03	1.71	0.06	1.86	0.02	0.03	0.98	1.46	1.76	0.06	0.06	1.39	NA
ADENOSINE (CAS# 58-61-7); (M+H)+	ME213590	1.66	1.03	0.68	0.48	0.96	0.73	0.41	1.29	NA	1.35	0.78	1.59	2.00	1.06	1.00	1.36	1.09	0.94	1.46	0.81	0.56	0.39	0.76	0.85	0.53	1.17	NA	1.63	0.38	1.34	0.81	0.91	NA
BETAINE (CAS# 107-43-7); (M+H)+	ME213599	0.10	2.14	0.11	2.47	2.60	0.03	0.05	2.44	0.21	3.40	0.09	3.46	0.09	0.04	0.03	2.85	0.08	2.22	2.79	0.02	0.06	2.97	0.10	3.22	0.03	0.05	0.06	0.04	0.05	0.10	0.10	0.02	NA
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+	ME213564	1.09	1.47	0.40	1.74	0.93	1.34	0.77	1.46	0.71	1.12	1.01	1.37	0.93	0.89	0.89	1.28	0.62	0.62	0.71	1.08	0.89	0.59	1.00	0.57	0.78	1.49	NA	1.18	1.07	1.13	0.87	1.02	NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+	ME213550	2.01	1.23	0.71	NA	1.47	NA	1.40	1.46	NA	0.81	0.52	0.98	0.66	1.09	1.41	0.90	NA	0.53	NA	0.87	0.96	NA	NA	0.28	NA	NA	NA	NA	0.71	1.10	0.80	1.09	NA
AZELAIC ACID (CAS# 123-99-9); (M+NA)+	ME213595	0.73	0.93	0.56	0.99	0.27	1.17	1.19	1.09	1.06	0.96	0.57	1.24	0.69	2.56	1.46	0.95	NA	0.49	0.73	1.16	NA	NA	0.84	0.77	0.92	1.58	0.81	1.02	1.18	1.30	0.69	1.07	NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]	ME213561	0.28	1.23	0.19	NA	0.31	0.37	0.23	NA	1.01	1.19	1.31	0.08	0.49	NA	0.35	NA	0.41	0.48	0.49	0.77	0.41	0.36	11.22	0.31	0.61	0.81	0.67	1.14	0.88	0.77	0.66	0.97	NA
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]	ME213584	0.93	1.15	1.04	1.02	1.21	0.83	0.89	0.65	1.17	1.44	1.24	1.44	0.98	1.04	0.78	1.17	0.89	0.45	1.07	1.38	1.31	1.10	0.80	1.02	1.11	0.79	0.51	1.04	0.99	0.68	0.99	0.90	NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+	ME213593	NA	NA	NA	0.81	0.88	0.84	NA	0.52	0.91	1.34	0.71	0.28	NA	NA	0.82	NA	1.34	0.69	1.49	NA	1.22	1.28	NA	1.24	1.23	1.42	0.23	0.23	1.54	NA	1.60	1.40	NA
BETAINE (CAS# 107-43-7); (M+NA)+	ME213600	1.28	1.19	1.69	0.76	0.40	0.79	1.19	0.49	1.10	0.96	1.46	0.87	NA	0.70	0.68	2.12	0.86	1.20	1.02	0.69	0.91	NA	1.29	0.90	1.09	1.19	0.68	1.04	0.78	1.06	1.30	0.30	NA
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+	ME213594	1.06	0.97	0.93	1.04	0.77	1.29	1.58	NA	0.03	0.67	1.31	0.60	1.19	0.96	0.93	0.86	1.00	NA	0.84	1.45	0.77	1.10	0.75	1.01	1.04	1.52	0.05	0.94	1.49	0.45	2.04	1.36	NA
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+	ME213604	1.63	2.70	0.61	0.99	0.73	0.40	0.69	0.36	0.54	2.28	0.53	1.01	0.70	0.59	0.86	0.67	0.39	0.32	0.60	1.49	1.23	1.70	0.38	1.65	0.88	0.69	0.44	1.45	1.78	0.70	2.13	0.87	NA
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]	ME213614	0.93	1.15	1.04	1.02	1.21	0.84	0.89	0.65	1.17	1.44	1.24	1.44	0.98	1.04	0.78	1.17	0.89	0.45	1.07	1.38	1.32	1.10	0.80	1.02	1.11	0.79	0.51	1.04	0.99	0.68	0.99	0.90	NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+	ME213541	0.63	1.11	NA	0.59	1.00	1.03	1.68	NA	NA	NA	0.74	0.68	1.02	NA	0.78	NA	0.39	NA	1.10	NA	1.08	NA	1.21	NA	1.00	0.34	NA	NA	1.60	0.58	2.44	NA	NA
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+	ME213547	0.97	1.59	1.27	1.13	0.99	0.65	0.67	0.76	0.79	1.93	1.29	1.20	0.82	1.06	0.66	1.00	0.71	0.21	1.34	1.33	0.82	1.65	0.48	1.47	1.28	0.58	0.28	1.66	1.01	0.94	0.75	0.74	NA
BETA-ALANINE (CAS# 107-95-9); (M+H)+	ME213596	NA	NA	NA	0.27	0.32	NA	0.63	0.32	1.66	0.67	NA	0.68	1.59	0.68	0.62	0.72	1.05	NA	1.12	0.82	NA	NA	NA	NA	0.79	2.63	0.76	1.35	NA	1.64	NA	1.66	NA
BILIVERDIN (CAS# 114-25-0); (M+NA)+	ME213602	NA	1.40	NA	1.20	NA	0.88	0.93	1.32	0.43	NA	NA	0.88	0.99	0.70	0.79	0.66	NA	NA	NA	NA	1.12	NA	0.67	1.04	1.52	1.67	2.06	0.59	1.35	0.51	0.85	0.46	NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+	ME213617	1.41	1.03	0.76	1.19	0.98	0.75	0.98	0.37	1.09	1.20	0.84	1.49	1.00	1.09	0.84	1.02	1.15	0.40	1.35	1.03	0.92	0.73	0.71	0.59	1.26	1.79	0.77	0.63	1.46	0.93	1.27	0.99	NA
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+	ME213538	1.08	1.07	0.53	1.47	1.18	1.01	1.23	0.96	1.04	1.17	0.87	1.02	1.04	1.15	1.10	0.98	0.76	0.66	1.15	0.87	0.98	0.83	1.16	0.89	0.99	1.12	0.66	1.04	1.10	1.13	0.92	0.83	NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+	ME213535	1.29	1.42	0.44	1.36	0.96	0.88	1.04	0.91	0.83	1.10	0.83	0.88	0.87	0.89	0.83	0.88	0.67	0.74	0.98	1.01	0.89	0.98	0.97	0.92	0.86	1.36	0.86	1.45	1.42	1.17	1.35	0.96	NA
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+	ME213571	0.01	2.34	0.04	NA	0.02	2.56	0.10	NA	NA	NA	NA	NA	0.17	2.14	NA	2.55	NA	0.17	NA	0.15	NA	2.06	0.02	2.07	NA	NA	NA	0.16	0.03	NA	2.40	NA	NA
BILIVERDIN (CAS# 114-25-0); (M+H)+	ME213601	0.93	1.31	0.15	1.42	0.60	0.92	1.02	1.77	0.73	0.70	0.38	0.86	1.10	0.75	0.95	0.76	0.36	0.41	0.75	0.66	1.26	0.47	0.98	1.50	1.56	2.08	2.47	0.76	1.80	0.88	0.95	0.73	NA
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+	ME213603	1.16	1.43	0.93	0.64	1.01	0.61	1.06	NA	0.73	2.09	0.90	0.95	0.71	0.87	NA	0.74	0.44	NA	0.75	1.54	1.13	1.30	0.47	1.30	1.20	0.86	NA	NA	1.65	0.73	1.27	0.56	NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+	ME213540	0.59	0.91	0.59	1.02	0.30	0.17	0.44	0.18	0.58	0.78	0.58	1.28	0.47	0.39	0.26	0.33	0.33	0.10	0.48	0.36	0.29	0.45	0.12	0.37	0.61	3.63	0.16	3.81	0.68	2.03	0.66	9.02	NA
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O]	ME213570	0.70	0.74	0.43	0.71	1.15	NA	0.83	NA	NA	1.71	NA	NA	0.81	1.11	1.14	1.29	0.73	1.28	1.24	0.86	1.15	0.35	1.21	0.35	0.80	0.80	1.25	NA	1.96	0.88	1.19	1.35	NA
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+	ME213548	0.78	1.50	1.26	0.98	0.85	NA	0.53	0.64	0.72	2.10	1.35	1.18	0.62	0.94	NA	0.97	0.67	0.24	1.31	1.37	0.68	1.62	0.37	1.61	1.23	0.67	NA	1.82	0.95	0.65	0.64	0.76	NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+	ME213549	1.64	1.02	0.82	0.48	0.95	0.72	0.41	1.28	NA	1.34	0.78	1.58	1.99	1.05	0.99	1.35	1.08	0.93	1.45	0.81	0.55	0.38	0.76	0.84	0.53	1.16	NA	1.62	0.45	1.33	0.80	0.90	NA
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+	ME213582	0.87	0.89	1.08	0.97	0.89	1.00	1.10	1.07	0.78	0.86	0.96	0.89	1.02	0.86	1.07	0.83	0.81	1.08	0.94	1.08	0.89	1.42	0.80	1.34	0.78	1.19	0.99	1.33	1.03	1.10	1.13	0.98	NA

Factors:

F1	Pair:Pair 1 \| Timepoint:T0 \| Treatment response:No
F2	Pair:Pair 1 \| Timepoint:T0 \| Treatment response:Yes
F3	Pair:Pair 1 \| Timepoint:T2 \| Treatment response:No
F4	Pair:Pair 1 \| Timepoint:T2 \| Treatment response:Yes
F5	Pair:Pair 2 \| Timepoint:T0 \| Treatment response:No
F6	Pair:Pair 2 \| Timepoint:T0 \| Treatment response:Yes
F7	Pair:Pair 2 \| Timepoint:T2 \| Treatment response:No
F8	Pair:Pair 2 \| Timepoint:T2 \| Treatment response:Yes
F9	Pair:Pair 3 \| Timepoint:T0 \| Treatment response:No
F10	Pair:Pair 3 \| Timepoint:T0 \| Treatment response:Yes
F11	Pair:Pair 3 \| Timepoint:T2 \| Treatment response:No
F12	Pair:Pair 3 \| Timepoint:T2 \| Treatment response:Yes
F13	Pair:Pair 4 \| Timepoint:T0 \| Treatment response:No
F14	Pair:Pair 4 \| Timepoint:T0 \| Treatment response:Yes
F15	Pair:Pair 4 \| Timepoint:T2 \| Treatment response:No
F16	Pair:Pair 4 \| Timepoint:T2 \| Treatment response:Yes
F17	Pair:Pair 5 \| Timepoint:T0 \| Treatment response:No
F18	Pair:Pair 5 \| Timepoint:T0 \| Treatment response:Yes
F19	Pair:Pair 5 \| Timepoint:T2 \| Treatment response:No
F20	Pair:Pair 5 \| Timepoint:T2 \| Treatment response:Yes
F21	Pair:Pair 6 \| Timepoint:T0 \| Treatment response:No
F22	Pair:Pair 6 \| Timepoint:T0 \| Treatment response:Yes
F23	Pair:Pair 6 \| Timepoint:T2 \| Treatment response:No
F24	Pair:Pair 6 \| Timepoint:T2 \| Treatment response:Yes
F25	Pair:Pair 7 \| Timepoint:T0 \| Treatment response:No
F26	Pair:Pair 7 \| Timepoint:T0 \| Treatment response:Yes
F27	Pair:Pair 7 \| Timepoint:T2 \| Treatment response:No
F28	Pair:Pair 7 \| Timepoint:T2 \| Treatment response:Yes
F29	Pair:Pair 8 \| Timepoint:T0 \| Treatment response:No
F30	Pair:Pair 8 \| Timepoint:T0 \| Treatment response:Yes
F31	Pair:Pair 8 \| Timepoint:T2 \| Treatment response:No
F32	Pair:Pair 8 \| Timepoint:T2 \| Treatment response:Yes
F33	Pair:Pooled \| Timepoint:Pooled \| Treatment response:Pooled

Data matrix