Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Markers of Dietary Patterns in the Costa Rica Study (Study ST000992)

C18 HRMSMS POSITIVE ION MODE (Analysis AN001621)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
TG 54:5; [M+NH4]+_R2	ME248502	1.74	0.25	1.21	0.30	0.04	0.01
PC 38:5; [M+H]+	ME248354	0.80	0.29	1.35	0.25	0.35	0.50
PC 38:4; [M+H]+	ME248353	0.90	0.15	1.24	0.28	0.23	0.13
TG 52:4; [M+NH4]+_R2	ME248482	0.73	0.27	1.32	0.22	0.03	0.05
TG 52:5; [M+NH4]+_R2	ME248484	0.69	0.33	1.32	0.21	0.04	0.07
TG 50:1; [M+Na]+_R2	ME248462	0.77	0.07	1.34	0.30	0.07	0.05
TG 48:1; [M+Na]+	ME248450	0.81	0.08	1.41	0.16	0.14	0.07
TG 50:2; [M+Na]+	ME248464	0.65	0.10	1.40	0.20	0.10	0.09
TG 55:2; [M+NH4]+	ME248507	0.39	NA	1.08	1.33	0.78	NA
lysoPC 20:5; [M+H]+	ME248560	0.54	0.39	1.16	1.56	0.54	NA
TG 50:1; [M+NH4]+_R2	ME248460	0.68	0.66	1.08	1.60	0.24	0.20
plasmenyl-PE 36:5; [M+H]+	ME248579	0.75	0.97	1.04	1.01	1.68	0.50
IS D31-TAG	ME248316	1.27	0.66	0.97	0.87	0.66	2.09
SM 38:4; [M]+	ME248410	1.20	1.27	0.94	0.99	0.45	1.98
IS PC 34:0; [M+H]+	ME248319	0.96	1.06	0.99	1.07	0.68	2.06
PC 34:0; [M+H]+	ME248338	0.95	1.06	0.99	1.07	0.69	2.04
IS PE 34:0; [M+H]+	ME248320	0.98	1.04	1.00	1.03	0.70	1.68
PE 34:0; [M+H]+_R2	ME248366	0.98	1.05	1.00	1.03	0.70	1.70
SM 35:0; [M]+	ME248396	0.93	0.83	1.02	1.07	0.67	1.75
IS SM 35:1;[M+H]+	ME248322	0.91	0.89	1.02	1.04	0.74	1.86
SM 35:1; [M]+	ME248397	0.91	0.88	1.02	1.05	0.74	1.86
IS lysoPC 17:0;[M+H]+	ME248325	0.98	0.90	0.99	1.10	0.63	1.93
MG 17:0; [M+NH4]+	ME248326	1.01	0.98	1.00	0.99	0.67	1.85
IS Ceramide;[M-H20]+	ME248315	1.01	1.02	0.99	1.02	0.64	1.91
IS MG 17:0; [M+NH4]+	ME248318	1.01	0.99	1.00	1.00	0.66	1.90
CE(20:5); [M+NH4]+	ME248273	1.09	0.77	0.99	0.96	0.86	1.58
CE(20:4); [M+NH4]+	ME248272	1.24	0.68	0.98	0.94	0.47	1.54
CE(18:3); [M+NH4]+	ME248268	1.21	0.87	0.93	1.14	0.49	1.73
CE(20:2); [M+NH4]+	ME248270	1.10	1.00	0.97	1.08	0.48	1.67
Cer(t44:1)[M+H]+	ME248284	1.22	0.92	0.92	1.18	0.56	1.37
CE(18:1); [M+NH4]+	ME248266	1.01	0.85	1.00	1.10	0.55	1.41
CE(22:6); [M+NH4]+	ME248276	1.13	0.88	0.98	1.06	0.53	1.48
TG 54:4; [M+NH4]+_R2	ME248500	1.20	1.08	1.12	0.65	0.32	NA
PE 36:1; [M+H]+	ME248370	0.94	1.23	0.91	1.38	1.23	0.52
TG 56:2; [M+NH4]+	ME248514	0.77	1.43	0.97	1.37	1.18	0.48
DG 36:0; [M+NH4]+	ME248299	0.94	1.02	0.97	1.31	0.79	0.70
TG 57:1; [M+NH4]+	ME248523	0.79	1.00	0.99	1.38	0.78	0.58
PE 36:2; [M+H]+	ME248371	1.11	1.21	0.91	1.29	0.91	0.63
PE 36:3; [M+H]+	ME248372	1.18	1.18	0.88	1.30	1.02	0.66
PE 34:2; [M+Na]+	ME248369	1.02	1.15	0.91	1.47	0.74	0.59
PE 34:1; [M+H]+	ME248367	1.06	1.06	0.98	1.15	0.74	0.40
PE 36:4; [M+H]+	ME248374	1.07	1.05	0.95	1.26	0.68	0.48
PE 36:3; [M+Na]+	ME248373	1.13	1.09	0.91	1.33	0.81	0.55
PE 38:6; [M+H]+	ME248378	1.11	1.10	0.92	1.31	0.79	0.59
PE 38:4; [M+H]+	ME248376	1.15	1.15	0.93	1.25	0.62	0.59
PE 38:5; [M+H]+	ME248377	1.20	1.14	0.92	1.25	0.65	0.58
TG 52:2; [M+NH4]+_R2	ME248478	0.86	1.27	1.08	0.96	0.60	0.34
TG 46:0; [M+NH4]+	ME248444	0.79	1.26	1.07	1.06	0.64	0.34
TG 48:2; [M+NH4]+	ME248451	0.85	1.33	1.04	1.09	0.59	0.39
TG 54:2; [M+NH4]+	ME248497	0.82	1.37	0.99	1.28	0.89	0.50
DG 30:0; [M+NH4]+	ME248287	0.78	1.30	1.05	1.08	0.83	0.40
TG 58:3; [M+NH4]+	ME248530	0.77	1.36	1.03	1.16	0.88	0.46
TG 50:0; [M+NH4]+	ME248458	0.90	1.19	1.01	1.17	0.72	0.54
TG 56:3; [M+NH4]+	ME248515	0.89	1.24	0.99	1.22	0.83	0.46
TG 58:5; [M+NH4]+	ME248532	0.89	1.22	0.99	1.29	0.75	0.51
TG 48:1; [M+NH4]+	ME248449	0.82	1.20	1.04	1.17	0.59	0.45
DG 36:2; [M+NH4]+	ME248301	0.84	1.34	1.01	1.25	0.63	0.42
TG 52:1; [M+NH4]+	ME248476	0.79	1.28	1.03	1.22	0.70	0.46
PE 34:0; [M+H]+_R1	ME248365	0.97	0.97	1.05	0.87	0.92	0.56
TG 53:3; [M+NH4]+	ME248490	1.00	1.13	1.02	0.92	0.94	0.46
TG 51:4; [M+NH4]+	ME248473	0.98	1.36	1.01	0.98	0.79	0.57
TG 55:6; [M+NH4]+	ME248509	0.89	1.26	1.07	0.87	0.85	0.46
TG 49:3; [M+NH4]+	ME248456	0.89	1.24	1.04	1.02	0.73	0.48
TG 49:1; [M+NH4]+	ME248454	0.88	1.15	1.06	0.92	0.82	0.56
TG 51:3; [M+NH4]+	ME248472	0.96	1.21	1.04	0.93	0.75	0.56
DG 33:1; [M+NH4]+	ME248292	0.67	1.09	1.10	1.08	0.74	0.41
TG 49:0; [M+NH4]+	ME248453	0.73	0.95	1.11	0.98	0.81	0.54
TG 49:2; [M+NH4]+	ME248455	0.89	1.03	1.07	0.95	0.74	0.40
TG 51:2; [M+NH4]+_R1	ME248470	0.89	1.06	1.06	0.97	0.82	0.46
TG 51:1; [M+NH4]+_R2	ME248469	0.79	1.01	1.08	1.02	0.79	0.41
TG 53:2; [M+NH4]+	ME248489	0.82	1.00	1.07	1.04	0.80	0.29
TG 46:1; [M+NH4]+	ME248445	0.79	1.07	1.09	1.08	0.53	0.28
TG 46:2; [M+NH4]+	ME248446	0.90	1.16	1.04	1.05	0.69	0.32
TG 48:0; [M+NH4]+	ME248448	0.90	1.06	1.05	1.07	0.59	0.40
TG 51:1; [M+NH4]+_R1	ME248468	0.86	1.00	1.06	1.09	0.66	0.42
DG 40:5; [M+NH4]+	ME248310	1.02	0.88	1.03	1.05	0.54	0.33
DG 38:3; [M+NH4]+	ME248306	1.05	1.04	1.03	0.98	0.53	0.33
MG 18:2; [M+NH4]+	ME248328	0.96	1.14	1.05	0.97	0.53	0.41
PC 34:1; [M+Na]+	ME248339	1.15	1.60	0.94	1.00	0.73	0.80
PE 40:6; [M+H]+	ME248379	1.16	1.31	0.92	1.21	0.50	0.72
TG 52:5; [M+NH4]+_R1	ME248483	1.01	1.51	0.97	1.14	0.54	0.75
TG 52:6; [M+NH4]+	ME248485	1.01	1.44	0.97	1.20	0.46	0.79
TG 54:7; [M+NH4]+	ME248504	0.96	1.35	0.96	1.31	0.53	0.72
TG 54:8; [M+NH4]+	ME248505	0.89	1.48	0.99	1.25	0.51	0.66
DG 36:5; [M+NH4]+	ME248304	1.03	1.55	0.97	1.18	0.38	0.57
PC 32:3; [M+H]+	ME248334	1.13	1.53	0.94	1.19	0.31	0.61
TG 50:5; [M+NH4]+	ME248467	1.00	1.47	0.97	1.16	0.54	0.61
TG 50:3; [M+NH4]+	ME248465	0.93	1.49	1.00	1.12	0.61	0.57
TG 50:4; [M+NH4]+	ME248466	1.01	1.51	0.98	1.09	0.59	0.59
TG 55:8; [M+Li]+	ME248510	0.96	1.59	1.00	1.04	0.48	0.53
DG 36:4; [M+NH4]+	ME248303	0.98	1.62	0.98	1.14	0.56	0.61
DG 34:3; [M+NH4]+	ME248296	0.91	1.61	1.00	1.15	0.49	0.61
TG 52:7; [M+NH4]+	ME248486	0.93	1.66	0.98	1.19	0.52	0.55
DG 40:6; [M+NH4]+	ME248311	1.04	1.71	0.96	1.08	0.60	0.68
TG 51:2; [M+NH4]+_R2	ME248471	0.90	1.61	0.99	1.14	0.62	0.81
DG 38:5; [M+NH4]+	ME248308	1.06	1.22	0.98	1.18	0.34	0.47
DG 38:6; [M+NH4]+	ME248309	1.09	1.30	0.98	1.11	0.42	0.51
PC 33:3; [M+H]+	ME248337	1.09	1.35	1.01	0.92	0.47	0.68
SM 32:0; [M]+	ME248384	1.07	1.36	1.01	0.92	0.61	0.50
TG 48:3; [M+NH4]+	ME248452	0.93	1.39	1.02	1.06	0.63	0.51
TG 53:6; [M+NH4]+	ME248493	0.99	1.34	1.02	1.02	0.55	0.57
TG 52:3; [M+NH4]+_R2	ME248480	0.71	1.52	1.05	1.08	0.34	0.47
DG 32:1; [M+NH4]+	ME248290	0.79	1.32	1.04	1.22	0.44	0.42
DG 34:2; [M+NH4]+	ME248295	0.77	1.49	1.04	1.19	0.51	0.39
DG 40:7; [M+NH4]+	ME248312	0.79	1.54	1.03	1.16	0.61	0.23
TG 44:2; [M+NH4]+	ME248443	0.81	1.50	1.04	1.08	0.74	0.17
TG 40:1; [M+NH4]+	ME248438	0.97	1.40	0.99	1.22	0.44	0.14
DG 32:2; [M+NH4]+	ME248291	0.85	1.33	1.04	1.13	0.53	0.21
TG 42:1; [M+NH4]+	ME248440	0.96	1.29	1.01	1.14	0.61	0.14
TG 42:2; [M+NH4]+	ME248441	1.20	1.58	0.93	1.09	0.66	0.12
DG 36:3; [M+NH4]+	ME248302	0.91	1.75	0.99	1.14	0.59	0.45
TG 46:3; [M+NH4]+	ME248447	0.87	1.81	1.00	1.07	0.73	0.28
PE 34:2; [M+H]+	ME248368	1.20	1.33	0.90	1.19	0.86	0.37
TG 58:4; [M+NH4]+	ME248531	0.99	1.50	0.95	1.21	0.68	0.38
TG 49:4; [M+NH4]+	ME248457	0.93	1.55	1.00	1.06	0.73	0.48
TG 56:5; [M+NH4]+_R2	ME248518	1.07	1.50	0.96	1.02	0.84	0.46
TG 53:1; [M+NH4]+	ME248488	0.84	1.05	1.07	1.00	0.94	0.00
TG 55:3; [M+NH4]+	ME248508	0.90	0.78	1.09	0.91	1.09	0.06
DG 30:1; [M+NH4]+	ME248288	0.76	1.07	1.15	0.84	0.57	0.13
TG 42:0; [M+NH4]+	ME248439	0.69	0.78	1.11	1.16	0.66	0.18
TG 44:1; [M+NH4]+	ME248442	0.71	0.88	1.10	1.15	0.57	0.17
DG 35:1; [M+NH4]+	ME248297	0.83	0.88	1.09	1.04	0.61	0.16
TG 40:0; [M+NH4]+	ME248437	0.83	0.95	1.08	1.01	0.74	0.17
DG 34:0; [M+NH4]+	ME248294	0.74	1.18	0.95	1.69	0.62	0.69
TG 54:1; [M+NH4]+	ME248496	0.68	0.79	1.00	1.57	1.02	0.25
TG 56:1; [M+NH4]+	ME248513	0.77	0.80	0.98	1.54	0.82	0.33
TG 54:0; [M+NH4]+	ME248495	0.62	1.26	1.00	1.64	0.90	0.24
TG 56:0; [M+NH4]+	ME248511	0.66	1.26	0.99	1.58	0.92	0.00
DG 38:2; [M+NH4]+	ME248305	0.84	1.27	0.97	1.41	0.66	NA
TG 57:2; [M+NH4]+	ME248524	0.71	1.14	1.04	1.24	0.66	NA
TG 60:1; [M+NH4]+	ME248539	0.72	0.94	1.02	1.50	0.59	0.25
TG 52:0; [M+NH4]+	ME248475	0.79	1.13	1.01	1.35	0.67	0.38
DG 36:1; [M+NH4]+	ME248300	0.75	1.18	1.00	1.44	0.64	0.52
TG 58:2; [M+NH4]+	ME248529	0.76	1.09	1.01	1.42	0.64	0.47
DG 32:0; [M+NH4]+	ME248289	0.67	1.18	1.03	1.46	0.62	0.33
IS DG 34:1; [M+NH4]+	ME248317	0.68	1.16	1.05	1.37	0.55	0.43
TG 55:1; [M+NH4]+	ME248506	0.78	1.09	1.04	1.29	0.80	0.30
TG 58:1; [M+NH4]+	ME248528	0.66	1.05	1.04	1.41	0.74	0.36
IS TG 51:0; [M+NH4]+	ME248323	1.42	0.53	1.00	0.77	0.26	0.96
SM 33:2; [M]+	ME248390	1.37	0.76	0.96	0.84	0.71	0.77
MG 18:1; [M+NH4]+	ME248327	0.79	0.74	1.19	0.71	0.36	0.44
plasmenyl-PE 42:6; [M+H]+	ME248588	1.14	0.42	0.98	1.26	0.60	0.70
lysoPC 20:2; [M+H]+	ME248557	0.88	0.61	1.08	1.08	0.58	0.46
lysoPC 15:0; [M+H]+	ME248542	0.78	0.59	1.13	1.03	0.50	0.41
lysoPC 20:1; [M+H]+	ME248556	0.88	0.57	1.11	1.00	0.54	0.31
lysoPE 16:0; [M+H]+	ME248567	0.92	0.62	1.07	1.07	0.49	0.68
lysoPC 17:1; [M+H]+	ME248546	0.85	0.66	1.08	1.17	0.41	0.69
lysoPC 18:2; [M+H]+	ME248551	0.90	0.71	1.05	1.16	0.48	0.72
lysoPC 24:1; [M+H]+	ME248566	0.94	0.75	1.04	1.18	0.55	0.42
lysoPE 18:0; [M+H]+	ME248568	0.91	0.76	1.06	1.13	0.47	0.55
lysoPE 18:1; [M+H]+	ME248569	0.98	0.69	1.05	1.06	0.54	0.58
lysoPC 24:0; [M+H]+	ME248565	1.05	0.67	1.03	1.10	0.47	0.53
plasmenyl-PC 18:0; [M+Na]+	ME248573	1.02	0.64	1.03	1.13	0.45	0.51
lysoPC 22:4; [M+H]+	ME248562	1.02	0.50	1.02	1.27	0.42	0.50
lysoPC 18:1; [M+H]+_R1	ME248549	0.90	0.56	1.08	1.12	0.40	0.49
lysoPC 18:1; [M+H]+_R2	ME248550	0.90	0.56	1.08	1.12	0.40	0.49
lysoPC 18:0; [M+H]+_R1	ME248547	0.92	0.61	1.07	1.12	0.48	0.47
lysoPC 20:0; [M+H]+	ME248555	0.91	0.54	1.07	1.12	0.48	0.49
lysoPC 14:0; [M+H]+	ME248541	0.81	0.64	1.10	1.14	0.42	0.41
lysoPC 16:1; [M+H]+	ME248545	0.85	0.68	1.09	1.12	0.42	0.51
lysoPC 22:6; [M+H]+	ME248564	0.80	0.65	1.08	1.23	0.33	0.51
lysoPC 18:3; [M+H]+	ME248553	0.85	0.62	1.07	1.23	0.31	0.61
lysoPC 20:4; [M+H]+	ME248559	0.81	0.56	1.09	1.23	0.29	0.58
lysoPC 22:5; [M+H]+	ME248563	0.87	0.53	1.08	1.22	0.35	0.44
lysoPC 16:0; [M+H]+	ME248543	0.78	0.57	1.11	1.12	0.40	0.54
lysoPC 18:0; [M+H]+_R2	ME248548	0.78	0.50	1.10	1.20	0.36	0.52
lysoPC 22:0; [M+H]+	ME248561	1.08	0.74	1.01	1.13	0.38	0.79
PC 42:7; [M+H]+	ME248364	0.98	0.91	0.98	1.33	0.48	0.58
PC 33:2; [M+Na]+	ME248336	0.89	1.05	1.05	0.69	0.97	0.73
PC 35:5; [M+H]+	ME248345	1.07	0.93	1.00	0.91	0.99	0.91
plasmenyl-PE 34:2; [M+H]+	ME248575	1.00	0.89	1.01	1.02	1.01	0.86
TG 58:11; [M+NH4]+	ME248527	0.80	1.19	1.07	1.05	0.54	0.77
TG 58:10; [M+NH4]+	ME248526	0.89	1.13	1.04	1.12	0.40	0.82
TG 56:7; [M+NH4]+	ME248520	0.93	1.17	1.01	1.16	0.55	0.81
PC 36:6; [M+H]+	ME248349	0.87	1.34	1.02	1.13	0.53	0.84
TG 56:9; [M+NH4]+	ME248522	0.91	1.22	1.04	1.07	0.41	0.85
TG 56:8; [M+NH4]+	ME248521	0.95	1.29	1.01	1.12	0.44	0.81
TG 58:9; [M+NH4]+	ME248536	0.93	1.25	1.02	1.11	0.50	0.84
PC 32:2; [M+Na]+	ME248333	1.13	1.20	0.97	0.98	0.72	0.87
TG 52:3; [M+NH4]+_R1	ME248479	0.99	1.17	1.01	1.02	0.68	0.91
PC 36:7; [M+H]+	ME248350	1.14	1.16	0.96	1.11	0.61	0.77
PC 40:10; [M+H]+	ME248360	1.08	1.04	0.97	1.17	0.65	0.75
TG 54:5; [M+NH4]+_R1	ME248501	1.00	1.19	0.98	1.15	0.70	0.78
SM 32:1; [M+Na]+	ME248385	1.05	1.08	0.98	1.10	0.76	0.90
TG 58:6; [M+NH4]+	ME248533	1.01	1.10	0.97	1.17	0.72	0.86
TG 54:4; [M+NH4]+_R1	ME248499	0.99	1.25	0.98	1.11	0.86	0.74
TG 50:1; [M+NH4]+_R1	ME248459	0.84	1.39	1.02	1.10	0.76	0.67
TG 56:4; [M+NH4]+	ME248516	0.91	1.36	0.99	1.14	0.78	0.70
DG 38:4; [M+NH4]+	ME248307	0.94	1.16	0.99	1.27	0.57	0.62
PE 36:5; [M+H]+	ME248375	0.98	1.20	0.96	1.30	0.70	0.68
TG 54:6; [M+NH4]+	ME248503	1.01	1.28	0.97	1.19	0.63	0.67
TG 56:10; [M+NH4]+	ME248512	0.90	1.31	1.02	1.11	0.61	0.68
TG 58:7; [M+NH4]+	ME248534	0.92	1.28	1.00	1.18	0.64	0.73
TG 56:5; [M+NH4]+_R1	ME248517	1.03	1.16	0.98	1.13	0.69	0.61
PC 37:6; [M+H]+	ME248352	1.00	1.28	1.00	1.06	0.62	0.64
TG 50:2; [M+NH4]+	ME248463	0.96	1.19	1.01	1.09	0.65	0.68
plasmenyl-PE 38:6; [M+H]+	ME248584	0.98	1.01	0.98	1.23	0.61	1.09
TG 58:8; [M+NH4]+	ME248535	0.91	1.09	1.01	1.17	0.58	1.12
Cer(d42:1)[M+H]+	ME248280	1.04	1.00	0.98	1.20	0.46	1.13
Cer(d42:1)[M+H-H2O]	ME248279	1.04	1.11	0.98	1.15	0.50	1.12
SM 40:4; [M]+	ME248420	1.00	1.08	1.00	1.11	0.49	1.08
Cer(t45:1)[M+H]+	ME248285	1.13	1.01	0.96	1.12	0.56	1.12
SM 34:1; [M]+	ME248393	1.09	0.99	0.98	1.06	0.67	1.09
CE(22:4); [M+NH4]+	ME248274	1.19	1.07	0.98	0.99	0.48	1.00
PC 38:8; [M+H]+	ME248357	1.08	1.18	0.97	1.09	0.59	1.06
SM 42:4; [M]+	ME248429	1.18	1.12	0.96	1.04	0.60	1.05
CerP(t39:1)[M+H]+	ME248286	1.07	1.05	0.99	1.11	0.51	0.90
TG 56:6; [M+NH4]+	ME248519	1.02	1.09	1.00	1.09	0.57	0.87
Cer(d42:2)[M+Na]+	ME248283	1.05	0.97	0.96	1.27	0.61	1.00
plasmenyl-PE 40:6; [M+H]+	ME248587	1.09	0.91	0.96	1.21	0.55	1.04
Cer(d42:2)[M+H]+	ME248282	1.07	0.90	0.95	1.24	0.68	0.92
plasmenyl-PE 36:2; [M+H]+	ME248577	1.09	0.95	0.96	1.21	0.66	0.90
PC 38:7; [M+H]+	ME248356	1.09	1.01	0.97	1.16	0.57	0.90
PC 42:10; [M+H]+	ME248363	1.14	1.00	0.95	1.15	0.63	0.89
CE(22:5); [M+NH4]+	ME248275	1.17	0.82	0.96	1.14	0.48	0.99
SM 44:2; [M]+	ME248436	1.10	0.76	1.01	1.00	0.55	0.92
TG 53:0; [M+NH4]+	ME248487	1.04	0.75	1.04	0.96	0.64	0.83
SM 40:1; [M]+	ME248417	1.00	0.90	1.04	0.97	0.53	1.07
SM 44:1; [M]+	ME248435	1.04	0.84	1.01	1.04	0.61	1.04
lysoPC 16:0; [M+Na]+	ME248544	1.02	0.96	1.02	1.00	0.61	0.98
SM 38:1; [M+Na]+	ME248407	1.00	0.88	1.04	0.97	0.63	0.99
SM 38:1; [M]+	ME248408	1.12	0.96	0.99	1.00	0.57	1.03
SM 40:2; [M]+_R2	ME248419	1.15	0.92	0.98	1.03	0.56	0.97
SM 39:1; [M]+	ME248413	1.13	0.94	1.01	0.96	0.50	0.86
SM 42:1; [M]+	ME248426	1.00	0.97	1.02	1.06	0.53	1.00
plasmenyl-PE 40:5; [M+H]+	ME248586	1.03	0.98	1.01	1.07	0.56	0.86
SM 41:1; [M]+	ME248422	1.03	1.00	1.02	1.00	0.54	0.90
lysoPE 20:4; [M+H]+	ME248571	1.05	0.93	1.03	0.97	0.53	0.94
SM 42:2; [M]+	ME248428	1.07	0.90	1.01	1.03	0.57	0.90
lysoPE 22:6; [M+H]+	ME248572	1.19	1.09	0.95	1.14	0.42	0.71
PC 34:4; [M+Na]+	ME248342	1.09	1.05	1.00	1.07	0.47	0.76
SM 32:2; [M]+	ME248387	1.35	0.92	0.94	0.99	0.58	0.64
SM 31:1; [M]+	ME248383	1.22	1.04	0.97	0.93	0.68	0.80
CE(16:0); [M+NH4]+	ME248263	1.18	0.94	0.98	1.01	0.69	0.71
PC 37:1; [M+H]+	ME248351	1.11	0.97	0.99	1.02	0.64	0.80
PC 39:4; [M+H]+	ME248359	1.12	0.95	0.98	1.05	0.69	0.78
SM 34:2; [M]+	ME248395	1.27	0.86	0.97	0.99	0.52	0.85
SM 35:2; [M]+	ME248398	1.22	0.80	0.98	1.02	0.51	0.85
SM 30:1; [M]+	ME248382	1.18	0.93	1.00	0.94	0.57	0.73
SM 32:1; [M]+	ME248386	1.15	0.90	0.99	1.04	0.55	0.63
SM 33:1; [M]+	ME248389	1.15	0.87	0.99	1.04	0.54	0.73
SM 41:2; [M]+	ME248424	1.21	0.89	0.98	1.00	0.49	0.72
plasmenyl-PE 38:4; [M+H]+	ME248582	1.01	0.85	1.00	1.18	0.58	0.71
PC 40:4; [M+H]+	ME248361	1.05	0.93	0.99	1.14	0.62	0.79
SM 33:1; [M+Na]+	ME248388	1.03	0.91	1.01	1.06	0.62	0.82
SM 41:2; [M+Na]+	ME248423	1.03	0.88	1.01	1.10	0.60	0.78
SM 42:5; [M]+_R2	ME248431	1.06	0.83	1.01	1.07	0.55	0.73
SM 43:1; [M]+	ME248432	0.99	0.87	1.04	1.04	0.57	0.71
lysoPC 20:3; [M+H]+	ME248558	0.94	0.89	1.04	1.12	0.43	0.86
lysoPC 18:2; [M+Na]+	ME248552	0.92	0.81	1.05	1.10	0.56	0.76
SM 21:1; [M]+	ME248381	0.82	0.88	1.07	1.13	0.52	0.73
SM 39:4; [M]+	ME248415	0.95	1.05	1.04	1.07	0.46	0.60
CE(18:0); [M+NH4]+	ME248265	0.96	1.12	1.03	1.03	0.54	0.73
CE(16:1); [M+NH4]+	ME248264	0.94	1.01	1.03	1.08	0.60	0.63
PC 21:4; [M+H]+	ME248329	1.00	0.97	1.03	1.01	0.61	0.70
plasmenyl-PE 40:4; [M+H]+	ME248585	0.89	1.06	1.02	1.17	0.61	0.86
TG 52:2; [M+NH4]+_R1	ME248477	0.95	1.05	1.02	1.07	0.63	0.76
DG 35:2; [M+NH4]+	ME248298	0.89	1.06	1.05	1.05	0.59	0.85
IS PS 34:0;[M+H]+	ME248321	0.94	1.06	1.02	1.06	0.69	0.87
PS 34:0; [M+H]+	ME248380	0.92	1.07	1.03	1.07	0.69	0.85
DG 33:2; [M+NH4]+	ME248293	0.83	0.98	1.06	1.09	0.70	0.74
plasmenyl-PE 36:4; [M+H]+	ME248578	0.92	1.06	1.01	1.14	0.73	0.70
TG 53:4; [M+NH4]+	ME248491	1.01	1.04	1.00	1.06	0.86	0.64
TG 54:3; [M+NH4]+	ME248498	0.95	1.11	1.00	1.12	0.89	0.67
SM 37:0; [M]+	ME248403	1.03	1.06	1.02	0.92	0.88	0.67
SM 43:2; [M]+	ME248433	1.10	0.98	0.99	0.97	0.83	0.75
SM 43:5; [M]+	ME248434	1.05	1.04	1.00	1.02	0.80	0.78
plasmenyl-PE 34:1; [M+H]+	ME248574	1.11	0.82	0.97	1.14	0.75	0.59
lysoPE 18:2; [M+H]+	ME248570	1.05	0.97	0.98	1.12	0.76	0.73
plasmenyl-PE 38:3; [M+H]+	ME248581	1.04	0.88	0.98	1.16	0.77	0.79
CE(20:1); [M+NH4]+	ME248269	1.08	0.52	0.99	1.18	0.66	1.10
lysoPC 19:0; [M+H]+	ME248554	0.90	0.67	1.05	1.13	0.56	1.06
TG 60:11; [M+NH4]+	ME248537	1.00	0.90	1.01	1.04	0.76	1.07
plasmenyl-PE 38:2; [M+H]+	ME248580	1.02	0.73	1.00	1.15	0.65	1.12
plasmenyl-PE 38:5; [M+H]+	ME248583	0.98	0.83	1.00	1.16	0.70	1.05
PC 30:0; [M+Na]+	ME248330	0.82	1.19	1.07	0.90	0.87	1.21
SM 34:0; [M]+	ME248391	1.02	1.18	0.99	0.97	0.94	1.18
SM 34:1; [M+Na]+	ME248392	0.92	1.00	1.04	0.99	0.82	1.08
SM 40:1; [M+Na]+	ME248416	0.89	1.01	1.05	0.96	0.86	1.07
SM 36:2; [M+Na]+	ME248401	0.90	0.90	1.07	0.88	0.86	1.17
SM 38:5; [M]+	ME248411	0.91	0.90	1.06	0.88	0.91	1.12
TG 50:1; [M+Na]+_R1	ME248461	0.94	1.07	1.03	0.99	0.67	1.06
PC 36:4; [M+Na]+	ME248348	0.89	1.09	1.01	1.16	0.77	1.08
PC 40:9; [M+H]+	ME248362	0.95	1.03	1.01	1.06	0.76	1.05
SM 42:2; [M+Na]+	ME248427	0.96	1.09	1.00	1.10	0.76	0.98
PC 34:5; [M+H]+	ME248343	1.09	1.10	0.99	0.95	0.78	1.10
PC 36:2; [M+H]+	ME248346	1.06	1.12	0.98	1.05	0.72	1.11
PC 39:3; [M+H]+	ME248358	1.02	1.00	1.00	1.01	0.79	1.20
PC 38:6; [M+Na]+	ME248355	0.96	1.07	1.02	0.99	0.82	1.18
SM 41:1; [M+Na]+	ME248421	0.95	1.10	1.01	1.03	0.78	1.16
SM 42:1; [M+Na]+	ME248425	0.98	1.00	1.00	1.10	0.70	1.17
Cer(d42:1)[M+Na]+	ME248281	1.06	1.07	0.97	1.11	0.74	1.25
SM 34:2; [M+Na]+	ME248394	1.05	1.04	0.98	1.08	0.75	1.21
SM 39:2; [M]+	ME248414	1.27	0.88	0.97	0.90	0.67	1.00
PC 35:4; [M+H]+	ME248344	1.04	1.01	1.03	0.87	0.77	0.97
SM 39:0; [M]+	ME248412	1.13	0.96	1.00	0.91	0.70	1.06
plasmenyl-PE 36:1; [M+H]+	ME248576	1.30	0.79	0.95	1.00	0.57	1.17
SM 38:2; [M]+	ME248409	1.21	0.83	0.99	0.90	0.63	1.20
SM 36:2; [M]+	ME248402	1.19	0.97	0.98	0.94	0.64	1.24
SM 36:1; [M]+	ME248400	1.13	0.92	0.99	1.01	0.61	1.17
SM 37:1; [M]+	ME248404	1.09	0.91	1.02	0.91	0.64	1.14
CE(18:2); [M+NH4]+	ME248267	1.05	0.96	1.00	1.01	0.65	1.28
CE(20:3); [M+NH4]+	ME248271	1.12	0.89	0.99	1.02	0.62	1.32
IS CE 17:0; [M+NH4]+	ME248314	1.15	0.93	0.99	0.89	0.74	1.34
SM 37:2; [M]+	ME248405	1.15	0.96	0.97	0.99	0.76	1.28
PC 32:1; [M+Na]+	ME248332	0.91	1.14	1.06	0.90	0.82	0.93
PC 34:4; [M+H]+	ME248341	0.91	1.36	1.05	0.85	0.91	0.99
IS d5-DAG	ME248324	1.04	1.14	0.96	1.18	0.70	1.10
PC 32:4; [M+H]+	ME248335	1.06	1.22	0.96	1.13	0.69	0.98
SM 42:5; [M]+_R1	ME248430	1.03	1.31	0.98	1.07	0.67	1.05
TG 51:5; [M+NH4]+	ME248474	0.97	1.39	1.00	1.01	0.61	1.13
TG 52:4; [M+NH4]+_R1	ME248481	1.03	1.36	0.98	1.08	0.57	0.87
TG 53:5; [M+NH4]+	ME248492	0.96	1.33	1.01	1.02	0.63	0.94
PC 34:3; [M+Na]+	ME248340	0.85	1.37	1.01	1.10	0.81	1.22
TG 53:7; [M+NH4]+	ME248494	0.92	1.39	0.97	1.20	0.77	1.19
SM 36:0; [M]+	ME248399	1.07	1.26	1.00	0.92	0.60	1.32
Cer(d36:1)[M+H]+	ME248278	1.06	1.32	0.97	1.01	0.83	1.15
PC 36:3; [M+H]+	ME248347	1.10	1.28	0.94	1.10	0.71	1.23
SM 38:0; [M]+	ME248406	1.10	1.25	0.96	1.04	0.76	1.27
TG 62:14; [M+NH4]+	ME248540	0.58	0.78	1.20	0.85	0.39	0.99
DG 40:8; [M+NH4]+	ME248313	0.77	1.43	1.10	0.95	0.35	0.90
Cer(d34:1)[M+H]+	ME248277	0.94	0.97	1.05	1.00	0.38	1.32
TG 60:12; [M+NH4]+	ME248538	0.80	1.00	1.08	1.08	0.34	1.20
SM 40:2; [M]+_R1	ME248418	1.11	0.94	1.03	0.81	0.02	1.12
PC 32:0; [M+Na]+	ME248331	1.01	1.06	1.00	1.16	0.01	1.07
TG 57:3; [M+NH4]+	ME248525	1.03	1.18	0.95	1.19	0.01	1.16

Factors:

F1	Gender:Female \| Metabolic syndrome:No \| Smoker:No
F2	Gender:Female \| Metabolic syndrome:Yes \| Smoker:No
F3	Gender:Male \| Metabolic syndrome:No \| Smoker:No
F4	Gender:Male \| Metabolic syndrome:No \| Smoker:Yes
F5	Gender:Male \| Metabolic syndrome:Yes \| Smoker:No
F6	Gender:Male \| Metabolic syndrome:Yes \| Smoker:Yes

Data matrix