Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003464)

Reversed phase POSITIVE ION MODE (Analysis AN005693)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
PC 42:1	ME904365	2.02	0.46	0.30	NA	2.09	0.37	0.44
DG 18:1/18:2	ME904402	2.70	0.18	0.41	NA	0.84	0.76	0.94
DG 18:2/18:2	ME904403	2.58	0.18	0.50	NA	0.85	0.75	1.01
DG 16:0/18:2	ME904401	2.49	0.20	0.44	NA	1.13	0.69	0.87
DG 34:1_1	ME904360	2.60	0.22	0.42	NA	0.98	0.74	0.87
DG 40:3	ME904370	1.29	0.28	0.48	NA	1.20	1.24	1.52
DG 42:7	ME904373	1.61	0.51	0.56	NA	0.81	1.09	1.41
DG 38:2	ME904368	1.84	0.32	0.56	NA	0.92	1.16	1.11
DG 38:3	ME904369	1.94	0.31	0.58	NA	0.98	1.00	1.11
DG 42:6	ME904372	0.22	1.54	1.70	NA	0.43	1.35	0.92
PC O-36:1	ME904484	0.18	1.41	1.71	NA	0.35	1.66	0.82
PE O 36:2	ME904379	0.29	1.10	1.07	NA	0.75	1.76	1.07
PC O-34:3	ME904487	0.20	1.18	1.43	NA	0.54	1.79	0.94
PC O-34:2	ME904485	0.50	1.12	1.33	NA	0.62	1.55	0.95
PC O-38:4	ME904490	0.56	1.06	1.27	NA	0.58	1.59	1.00
PC O-36:0	ME904481	0.34	1.37	1.28	NA	0.68	1.46	0.90
PC O-36:2	ME904486	0.40	1.32	1.33	NA	0.53	1.61	0.87
SPB 18:0;2O	ME904567	1.82	1.27	1.15	NA	0.52	0.62	0.54
PC 18:3/18:3	ME904462	0.59	1.55	1.26	NA	0.99	0.80	0.85
Bis(2-ethylhexyl)adipate	ME904561	1.17	0.62	1.41	NA	0.56	1.27	1.09
LPC 16:1-SN1	ME904408	1.87	0.68	0.73	NA	1.17	0.64	0.79
LPC 24:6-SN2	ME904416	1.88	0.72	0.64	NA	1.10	0.82	0.67
DG 36:2	ME904363	2.03	0.57	0.60	NA	0.81	0.95	0.92
LPC 18:2-SN2	ME904410	1.87	0.64	0.74	NA	0.90	0.86	0.90
LPE 18:2	ME904419	1.87	0.67	0.75	NA	0.88	0.87	0.87
DG 34:1_2	ME904361	1.85	0.55	0.66	NA	1.02	0.94	0.88
DG 36:1	ME904362	1.82	0.52	0.66	NA	0.97	0.96	0.98
PC 18:1/19:2	ME904446	1.38	1.10	0.92	NA	0.88	0.97	0.65
LPC O-18:2	ME904417	1.46	1.03	0.93	NA	0.89	0.87	0.74
Oleoyl ethanolamide	ME904565	1.43	1.09	0.84	NA	0.98	0.86	0.67
MLCL 18:2_18:2_18:2_2	ME904563	1.40	0.75	0.84	NA	1.00	1.05	0.89
LPC 18:0-SN1	ME904406	1.34	0.97	0.98	NA	0.83	0.97	0.88
PC 18:1/20:5	ME904464	1.41	0.88	0.98	NA	0.89	0.97	0.84
PC 17:0/18:3	ME904444	1.44	0.92	0.85	NA	0.92	0.92	0.89
PC 17:1/17:1	ME904438	1.37	0.88	0.90	NA	0.93	0.96	0.93
LPC 19:0-SN1	ME904407	1.31	0.91	0.83	NA	0.98	0.99	0.92
PC 18:0/19:2	ME904440	1.34	0.97	0.83	NA	0.90	1.03	0.85
PC 18:1/18:1	ME904439	1.52	0.97	1.01	NA	0.66	0.99	0.81
PC 18:2/18:2	ME904450	1.67	0.86	0.86	NA	0.73	0.95	0.86
PE 18:1/18:2	ME904503	1.46	0.94	0.87	NA	0.88	0.97	0.80
PC 18:1/18:2	ME904445	1.56	0.94	0.84	NA	0.82	0.97	0.78
PE 18:2/18:2	ME904505	1.57	0.89	0.85	NA	0.84	0.94	0.83
LPC 18:3-SN1	ME904411	1.59	0.59	1.05	NA	1.11	0.72	0.93
PC 18:2/20:5	ME904469	1.49	0.68	1.04	NA	1.07	0.79	0.92
LPC 17:1-SN1	ME904409	1.47	0.80	0.82	NA	1.12	0.82	0.90
LPC 22:4-SN1	ME904413	1.52	0.85	0.85	NA	1.00	0.89	0.80
LPE 20:3	ME904420	1.52	0.75	0.89	NA	1.02	0.90	0.87
LPC 20:1	ME904377	1.55	0.75	0.78	NA	1.17	0.87	0.77
LPC 18:1	ME904376	1.57	0.68	0.75	NA	1.13	0.89	0.88
LPC 22:5-SN2	ME904414	1.61	0.71	0.79	NA	1.12	0.82	0.86
LPC 20:3-SN1	ME904412	1.73	0.71	0.80	NA	1.03	0.80	0.84
LPC 20:4	ME904378	1.62	0.67	0.82	NA	1.00	0.95	0.87
LPE 20:4	ME904421	1.62	0.67	0.82	NA	0.99	0.95	0.87
PE O 40:6	ME904381	0.76	1.10	0.91	NA	1.11	1.21	0.84
CL 18:1/18:2/18:2/18:2	ME904399	0.85	1.12	0.96	NA	1.32	0.93	0.75
CL 18:2/18:2/18:2/18:2	ME904400	0.81	1.14	1.00	NA	1.35	0.93	0.70
PC 20:0/22:5	ME904461	0.74	1.21	0.95	NA	1.20	0.84	1.07
PC 19:2/18:4	ME904463	0.82	1.04	1.01	NA	1.21	0.95	0.96
PE 19:2/18:4	ME904510	0.85	1.03	0.99	NA	1.24	0.90	0.99
PC O-36:7_2	ME904521	1.18	1.24	0.71	NA	0.86	1.07	0.82
PC 16:0/17:1	ME904430	1.27	0.89	0.81	NA	1.23	0.83	0.90
SM 9:1;2O/30:1	ME904555	1.30	0.97	0.82	NA	1.22	0.74	0.87
LPE 19:0	ME904418	1.32	0.92	0.96	NA	1.07	0.84	0.84
PC 16:0/16:1	ME904429	1.40	0.90	0.86	NA	1.12	0.81	0.82
PC 16:0/17:2	ME904437	1.22	0.87	0.90	NA	1.06	0.87	1.07
PC 17:0/18:4	ME904449	1.20	0.85	0.88	NA	1.03	0.98	1.03
LPC 16:0-SN1	ME904405	1.37	0.83	0.86	NA	1.07	0.87	0.96
LPC 22:6-SN1	ME904415	1.31	0.84	0.94	NA	1.03	0.90	0.94
LPE 22:6	ME904423	1.28	0.83	0.96	NA	1.02	0.93	0.95
PC 18:0/19:1	ME904434	1.14	0.99	0.82	NA	1.14	0.97	0.85
PC 17:0/18:1	ME904432	1.19	0.95	0.89	NA	1.10	0.95	0.87
PC 21:2/20:3	ME904460	1.12	1.00	0.89	NA	1.10	0.92	0.92
PE 19:1/19:2	ME904504	1.22	0.89	0.99	NA	1.07	0.95	0.84
PC 18:0/18:1	ME904433	1.26	0.94	0.92	NA	1.02	0.97	0.82
PC 18:0/20:5	ME904457	1.24	0.94	0.92	NA	1.05	0.94	0.85
PC 17:0/17:1	ME904431	1.27	0.88	0.85	NA	1.14	0.92	0.87
Cer 18:1;2O/20:0	ME904388	1.19	0.93	0.93	NA	1.18	0.88	0.82
PC 15:0/15:0	ME904424	1.21	0.90	0.92	NA	1.14	0.90	0.87
Cer 18:2;2O/20:0	ME904397	1.15	1.00	0.98	NA	1.16	0.80	0.87
SM 8:1;2O/32:1	ME904556	1.19	1.01	0.97	NA	1.03	0.83	0.95
PC 21:1/21:1	ME904442	0.99	0.82	0.85	NA	1.47	0.85	0.99
Cer 18:1;2O/23:0	ME904391	1.01	0.87	0.80	NA	1.41	0.95	0.88
Cer 18:1;2O/24:0	ME904392	0.97	0.91	0.85	NA	1.49	0.90	0.78
LPC 15:0	ME904364	1.16	0.83	0.84	NA	1.24	0.88	1.01
PC 15:0/16:0	ME904425	1.18	0.83	0.84	NA	1.31	0.82	0.97
PC 16:0/17:0	ME904427	1.03	0.93	0.89	NA	1.38	0.78	0.94
PE 20:0/22:6	ME904515	1.08	0.97	0.93	NA	1.26	0.79	0.94
PC 19:0/19:1	ME904435	1.15	0.98	0.86	NA	1.27	0.86	0.80
PC 20:1/20:1	ME904441	1.18	1.01	0.85	NA	1.27	0.80	0.80
PC 16:0/16:0	ME904426	1.09	0.87	0.85	NA	1.31	0.90	0.91
PC 17:0/17:0	ME904428	1.08	0.89	0.87	NA	1.32	0.89	0.90
Cer 18:1;2O/21:0	ME904389	1.20	0.91	0.80	NA	1.30	0.87	0.82
Cer 18:1;2O/22:0	ME904390	1.14	0.88	0.85	NA	1.34	0.89	0.82
PC O 38:5	ME904367	1.05	1.19	1.05	NA	0.84	1.10	0.70
PC 19:0/20:5	ME904458	1.07	1.20	0.97	NA	0.82	1.12	0.75
PC O-38:6	ME904495	1.08	1.21	0.95	NA	0.85	1.08	0.74
PC O-40:6	ME904496	0.93	1.12	1.17	NA	0.89	1.11	0.77
SM 8:0;2O/26:0	ME904537	0.91	1.16	1.13	NA	0.88	1.04	0.88
PE 20:2/20:3	ME904509	0.90	1.17	1.01	NA	0.90	1.16	0.81
SM 8:1;2O/25:0	ME904541	0.99	1.17	1.04	NA	0.80	1.13	0.84
Xylazine	ME904570	1.07	1.03	0.99	NA	0.80	1.11	0.99
PE O-16:2/22:6	ME904529	0.89	1.00	1.19	NA	0.96	1.02	0.98
PC 20:3/20:3	ME904466	0.98	1.06	1.10	NA	0.90	1.02	0.95
PE 26:6	ME904375	0.96	1.01	1.13	NA	0.86	1.08	0.97
SM 8:1;2O/24:0	ME904540	1.24	0.98	1.06	NA	0.77	1.14	0.77
PC O-38:5	ME904492	1.25	1.11	1.05	NA	0.79	1.00	0.75
Cer 18:2;2O/18:0	ME904395	1.20	1.04	1.18	NA	0.85	0.94	0.80
SM 8:1;2O/26:1	ME904551	1.22	1.09	1.18	NA	0.75	0.95	0.81
SM 8:1;2O/28:1	ME904552	1.25	1.13	1.22	NA	0.72	0.91	0.76
PC 19:2/19:2	ME904452	1.12	0.96	1.04	NA	0.89	1.06	0.91
PE O-16:1/18:2	ME904522	1.15	0.95	0.94	NA	1.04	1.01	0.85
PC 17:1/17:2	ME904443	1.11	0.96	1.01	NA	0.99	1.00	0.91
PC 19:0/20:4	ME904453	1.12	0.93	0.98	NA	0.98	1.05	0.92
LPE 22:5	ME904422	1.19	0.94	0.92	NA	0.89	1.16	0.83
PC 18:2/19:2	ME904451	1.24	0.92	0.95	NA	0.94	1.05	0.85
PE O-20:2/22:6	ME904531	1.21	0.91	1.04	NA	0.92	1.06	0.84
SM 8:1;2O/27:0	ME904543	1.12	1.12	1.08	NA	0.83	1.04	0.79
Cer 17:1;2O/16:0	ME904382	1.14	1.08	1.04	NA	0.83	1.04	0.84
PC O-36:3	ME904488	1.11	1.09	1.04	NA	0.82	1.07	0.84
PC 20:2/20:2	ME904454	1.04	1.14	1.02	NA	0.89	1.03	0.84
SM 8:1;2O/26:0	ME904542	1.03	1.11	1.11	NA	0.87	1.02	0.85
SM 8:1;2O/28:0	ME904544	1.05	1.08	1.11	NA	0.86	1.06	0.82
PC O-38:7	ME904497	1.07	1.08	1.09	NA	0.89	0.99	0.88
PC O-40:7	ME904499	1.09	1.11	1.13	NA	0.87	0.96	0.83
SM 8:1;2O/34:2	ME904559	1.12	1.07	1.09	NA	0.89	0.99	0.82
Cer 17:1;2O/18:0	ME904383	1.20	1.02	1.10	NA	0.91	1.01	0.71
PE 18:1/18:1	ME904502	1.24	1.01	1.02	NA	0.89	0.96	0.85
Cer 18:1;2O/18:0	ME904387	1.22	0.99	1.07	NA	0.89	1.02	0.78
PC O-36:5	ME904491	1.19	1.01	1.08	NA	0.86	1.00	0.84
PE 18:0/20:5	ME904508	1.07	1.09	1.01	NA	0.95	1.03	0.79
PE O-16:1/22:4	ME904526	1.07	1.08	1.04	NA	0.97	0.99	0.83
Cer 18:1;2O/24:1	ME904393	1.10	1.07	1.06	NA	1.00	0.98	0.75
SM 8:1;2O/29:0	ME904545	1.07	1.12	1.05	NA	1.01	0.94	0.77
Cer 18:2;2O/24:1	ME904398	1.17	1.10	1.09	NA	0.85	0.96	0.80
PC O-39:7	ME904498	1.15	1.10	1.03	NA	0.93	0.95	0.81
PC O-40:8	ME904500	1.17	1.12	1.01	NA	0.88	0.94	0.84
PC O-40:9	ME904501	1.18	1.08	1.03	NA	0.87	0.97	0.83
SM 9:1;2O/32:1	ME904557	1.20	1.06	0.99	NA	0.93	0.88	0.90
PS 18:1/18:1	ME904533	1.14	1.02	1.09	NA	0.99	0.91	0.82
Cer 18:0;2O/16:0	ME904384	1.13	1.07	1.09	NA	0.94	0.92	0.83
Cer 18:1;2O/16:0	ME904386	1.11	1.06	1.07	NA	0.95	0.94	0.86
PE O-18:2/22:6	ME904530	1.16	1.04	0.95	NA	0.98	0.98	0.84
PE O-16:1/20:4	ME904525	1.11	1.02	1.04	NA	0.97	0.97	0.87
PE O-16:1/22:6	ME904527	1.11	1.03	0.99	NA	1.00	0.97	0.86
PC 20:2/20:3	ME904459	1.18	1.01	1.02	NA	0.98	0.92	0.86
PE 20:3/20:4	ME904517	1.17	1.03	1.01	NA	0.96	0.94	0.85
PE O-18:3/22:6	ME904532	1.16	1.03	1.02	NA	0.98	0.95	0.83
PE 20:4/20:4	ME904518	1.17	1.02	1.05	NA	0.92	0.97	0.85
PC 19:2/18:3	ME904456	1.14	1.01	1.04	NA	0.93	0.97	0.89
PC 20:4/20:4	ME904473	1.16	1.03	1.02	NA	0.93	0.94	0.90
Cer 18:2;2O/19:0	ME904396	1.30	1.03	0.97	NA	0.91	0.93	0.80
PC 19:1/19:2	ME904447	1.29	1.01	1.02	NA	0.94	0.90	0.78
PC 20:3/20:4	ME904471	1.29	1.05	1.01	NA	0.95	0.90	0.75
PC 16:1/16:1	ME904436	1.27	1.06	1.04	NA	0.94	0.81	0.85
SM 8:1;2O/30:1	ME904554	1.29	1.02	0.98	NA	1.02	0.79	0.85
SM 9:1;2O/28:1	ME904553	1.21	1.19	1.04	NA	0.95	0.80	0.75
PC 18:2/18:3	ME904455	1.20	1.01	1.18	NA	1.02	0.79	0.80
PC 20:3/22:6	ME904475	1.12	1.12	1.12	NA	1.05	0.79	0.78
PE 20:4/20:5	ME904519	1.06	0.92	1.12	NA	1.09	0.89	0.94
PE 23:5	ME904374	1.09	0.83	1.11	NA	1.07	1.02	0.87
Palmitoyl ethanolamide	ME904566	1.09	1.16	0.85	NA	1.17	0.90	0.73
Linoleoyl ethanolamide	ME904562	1.16	1.14	0.89	NA	1.07	0.92	0.72
Stearoyl ethanolamide	ME904569	1.16	1.15	0.92	NA	0.99	0.96	0.73
DG 41:0	ME904359	1.03	0.99	1.03	NA	1.27	0.89	0.73
SM 8:0;2O/32:0	ME904539	1.08	1.01	0.87	NA	1.25	0.95	0.73
PC O-34:0	ME904480	0.96	1.07	0.95	NA	1.02	1.12	0.83
DG 18:0/20:4	ME904404	1.04	0.96	0.92	NA	1.04	1.11	0.88
DG 40:4	ME904371	1.05	0.91	0.91	NA	1.12	1.07	0.90
PS 20:3/20:3	ME904535	0.93	1.19	1.04	NA	1.06	0.94	0.81
SM 8:1;2O/34:1	ME904558	0.97	1.15	1.02	NA	1.02	1.00	0.78
PE 19:2/20:5	ME904516	0.97	1.13	1.10	NA	0.98	0.92	0.90
PE 19:2/19:2	ME904506	1.05	1.05	1.06	NA	0.97	0.95	0.90
PE 20:3/20:3	ME904513	1.01	1.05	1.04	NA	0.99	0.97	0.92
PC 19:1/20:5	ME904465	0.97	1.07	1.04	NA	1.08	0.94	0.88
PE O-18:1/22:6	ME904528	1.00	1.09	1.03	NA	1.03	0.97	0.84
PE O-18:1/18:2	ME904523	1.09	1.04	0.94	NA	1.08	0.98	0.80
SM 8:1;2O/30:0	ME904546	1.07	1.07	1.01	NA	1.05	0.92	0.84
PC O-32:1	ME904482	1.05	0.99	1.01	NA	1.07	0.97	0.88
PC 20:1/22:6	ME904472	1.08	1.00	0.99	NA	1.11	0.91	0.88
PE 19:1/20:5	ME904512	1.09	1.00	0.98	NA	1.11	0.95	0.82
SM 8:1;2O/34:0	ME904550	1.02	1.02	0.92	NA	1.23	0.93	0.80
SM 8:1;2O/31:0	ME904547	1.08	1.08	0.88	NA	1.16	0.91	0.81
SM 8:1;2O/32:0	ME904548	1.03	1.06	0.93	NA	1.20	0.90	0.81
SM 8:1;2O/33:0	ME904549	1.06	1.06	0.93	NA	1.16	0.91	0.82
PC 17:2/17:2	ME904448	1.02	1.07	0.97	NA	1.14	0.89	0.88
PE 19:0/20:4	ME904507	1.04	1.09	0.90	NA	1.09	0.95	0.86
PE 21:2/20:4	ME904514	1.04	1.06	0.91	NA	1.10	0.96	0.90
PE O-18:2/18:2	ME904524	1.00	0.96	0.95	NA	1.22	0.93	0.90
PC 20:0/22:6	ME904468	1.00	1.00	0.93	NA	1.15	0.91	1.00
PC 21:2/20:4	ME904467	0.98	1.05	0.95	NA	1.07	0.97	0.96
PE 18:1/20:5	ME904511	0.99	1.03	0.99	NA	1.08	0.94	0.96
PC O-36:6	ME904494	0.86	1.07	1.39	NA	0.72	1.28	0.68
PS 20:2/20:3	ME904534	0.91	1.24	1.04	NA	1.05	1.03	0.67
PC 19:2/20:5	ME904470	0.95	1.26	1.14	NA	1.01	0.83	0.80
PC O-40:5	ME904493	0.84	1.22	1.18	NA	1.03	0.89	0.83
Cer 18:0;2O/24:1	ME904385	1.05	1.22	1.17	NA	1.01	0.83	0.70
PC 20:2/22:6	ME904474	1.03	1.14	1.17	NA	0.95	0.90	0.80
PC 22:6/22:6	ME904478	0.76	1.42	1.19	NA	0.80	0.99	0.84
PC O 38:3	ME904366	0.88	1.31	1.18	NA	0.89	0.99	0.73
PC 20:4/22:6	ME904476	0.87	1.21	1.23	NA	0.75	1.11	0.85
PE 20:4/22:6	ME904520	0.81	1.21	1.26	NA	0.88	1.03	0.83
PC 22:5/22:5	ME904477	0.96	1.41	1.30	NA	0.80	0.85	0.67
PS 22:5/22:5	ME904536	0.97	1.35	1.26	NA	0.78	0.91	0.73
SPB 18:1;2O	ME904568	1.04	1.37	1.23	NA	0.73	0.89	0.73
Cer 18:2;2O/16:0	ME904394	1.03	1.22	1.27	NA	0.74	0.94	0.83
SM 8:0;2O/28:0	ME904538	1.03	1.12	1.28	NA	0.77	1.07	0.75
Norketamine	ME904564	1.01	0.92	1.27	NA	0.81	0.95	1.15
(R)-Ketamine	ME904560	0.83	1.01	0.89	NA	0.94	1.13	1.23
PE O 38:4_2	ME904380	0.72	0.81	0.99	NA	1.08	1.34	1.08
PC O-32:0	ME904479	0.65	1.00	1.05	NA	0.89	1.42	0.99
PC O-34:1	ME904483	0.82	1.03	1.11	NA	0.86	1.23	0.96
PC O-36:4	ME904489	0.84	1.01	1.07	NA	0.71	1.32	1.09

Factors:

F1	Sample source:Heart \| Group:CLP (24h) / 12C-Serin
F2	Sample source:Heart \| Group:CLP (24h) / 13C-Serin
F3	Sample source:Heart \| Group:CLP (24h) / Vehicle
F4	Sample source:Heart \| Group:QC
F5	Sample source:Heart \| Group:Sham / 12C-Serin
F6	Sample source:Heart \| Group:Sham / 13C-Serin
F7	Sample source:Heart \| Group:Sham / Vehicle

Data matrix