Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001971)

(Analysis AN003215)

Metabolite	Structure	F1	F2	F3	F4
TG 51:1; [M+NH4]+@10.225	ME455426	NA	1153.88	NA	474.89
lysoPC 20:0; [M+H]+@2.67	ME455275	NA	-2.92	-16.13	NA
CE 20:3; [M+NH4]+@10.30	ME455227	NA	-11.67	NA	-1.67
CE 22:4; [M+NH4]+@10.40	ME455232	NA	-5.06	NA	-0.39
PC 32:1; [M+Na]+@5.54	ME455290	NA	0.68	3.66	3.44
CE 22:6; [M+NH4]+@10.00	ME455234	NA	4.12	NA	0.62
SM 41:4; [M]+@6.18	ME455395	-0.08	NA	-2.54	NA
PC 34:4; [M+H]+@4.67	ME455298	NA	NA	-1.22	-1.25
PC 36:6; [M+H]+@4.62	ME455308	NA	-0.07	-0.33	NA
SM 44:1; [M]+@8.94	ME455404	0.73	0.75	NA	3.20
PS 36:2; [M+Na]+@4.94	ME455367	2.83	NA	1.54	0.74
TG 54:0; [M+NH4]+@10.81	ME455443	0.61	2.35	NA	1.33
PC 40:5; [M+H]+@7.35	ME455323	1.24	1.12	0.37	1.02
PE 40:1; [M+H]+@7.88	ME455343	0.49	1.23	1.06	1.41
PC 39:4; [M+H]+@7.49	ME455317	0.61	1.30	1.02	1.14
SM 39:1; [M]+@7.17	ME455385	0.66	1.22	1.13	1.07
TG 46:0; [M+NH4]+@9.785	ME455410	0.74	1.50	0.45	1.16
TG 56:2; [M+NH4]+@10.62	ME455460	0.61	1.56	0.56	1.16
TG 56:3; [M+NH4]+@10.4	ME455461	0.58	1.62	0.53	1.15
PC 28:0; [M+H]+@4.73	ME455288	0.72	1.22	0.85	1.25
DG 38:2; [M+NH4]+@7.76	ME455259	0.78	1.37	0.71	1.04
TG 54:1; [M+NH4]+@10.6	ME455444	0.79	1.31	0.71	1.12
TG 54:6; [M+NH4]+@9.54	ME455449	0.97	1.19	1.14	0.59
TG 56:7; [M+NH4]+@9.67	ME455465	1.10	1.34	0.70	0.57
SM 42:1; [M+Na]+@8.16	ME455398	1.03	0.93	1.21	0.87
DG 38:4; [M+NH4]+@7.17	ME455261	1.13	0.94	1.02	0.86
DG 32:0; [M+NH4]+@7.12	ME455237	1.13	0.93	0.99	0.91
DG 34:0; [M+NH4]+@7.66	ME455243	1.13	0.94	0.97	0.91
PE 36:1; [M+Na]+@6.77	ME455340	1.14	0.94	0.96	0.92
PC 36:3; [M+H]+@7.06	ME455305	1.19	0.85	1.01	0.92
TG 53:0; [M+NH4]+@10.685	ME455437	1.25	0.85	0.96	0.88
DG 38:3; [M+NH4]+@7.46	ME455260	1.05	1.04	0.98	0.86
PC 36:4; [M+H]+@5.835	ME455307	1.04	0.95	1.07	0.95
plasmenyl-PE 36:5; [M+H]+@5.50	ME455357	1.03	0.94	1.09	0.97
PE 34:0; [M+Na]+@6.695	ME455338	1.08	0.95	1.00	0.95
lysoPC 17:0; [M+H]+@2.40	ME455273	1.05	0.96	1.01	0.97
PC 40:6; [M+Na]+@6.3825	ME455325	1.05	0.94	1.04	0.97
plasmenyl-PE 38:4; [M+Na]+@6.875	ME455359	1.06	0.94	1.04	0.96
plasmenyl-PE 40:4; [M+Na]+@7.3625	ME455362	1.08	0.91	1.06	0.95
PE 40:4; [M+H]+@6.94	ME455346	1.06	0.92	1.03	1.00
plasmenyl-PE 40:5; [M+H]+@6.63	ME455363	1.08	0.91	1.04	0.98
PE 36:0; [M+H]+@7.3925	ME455339	0.97	0.98	1.07	1.02
TG 52:3; [M+NH4]+@9.86	ME455433	0.97	0.97	1.06	1.03
PC 36:1; [M+H]+@7.00	ME455302	0.98	0.98	1.04	1.02
TG 54:4; [M+NH4]+@9.94	ME455447	0.96	1.00	1.04	1.02
PC 36:2; [M+Na]+@6.435	ME455303	0.97	1.00	1.03	1.02
PC 36:3; [M+H]+@6.12	ME455304	0.97	0.99	1.03	1.03
TG 52:2; [M+NH4]+@10.125	ME455432	0.96	1.03	1.00	1.01
TG 50:2; [M+NH4]+@9.86	ME455422	0.95	1.02	1.03	1.02
TG 54:5; [M+NH4]+@9.78	ME455448	0.94	1.02	1.03	1.04
plasmenyl-PE 36:4; [M+H]+@5.85	ME455355	1.01	0.97	1.03	1.00
plasmenyl-PE 38:6; [M+H]+@5.77	ME455361	1.01	0.97	1.03	0.99
PC 38:6; [M+Na]+@5.43	ME455314	1.00	0.98	1.05	0.99
SM 40:1; [M+Na]+@7.55	ME455390	1.01	0.97	1.05	0.99
PC 32:0; [M+Na]+@6.4075	ME455289	1.01	0.95	1.05	1.01
PC 38:4; [M+Na]+@6.51	ME455313	1.02	0.96	1.06	0.98
plasmenyl-PE 38:5; [M+H]+@5.91	ME455360	1.03	0.95	1.05	0.99
PC 34:2; [M+H]+@5.75	ME455296	0.99	0.99	1.01	1.02
plasmenyl-PE 34:1; [M+H]+@6.45	ME455353	1.00	0.99	1.00	1.02
PC 34:2; [M+H]+@5.995	ME455297	1.00	0.99	1.01	1.00
SM 34:1; [M+Na]+@5.165	ME455376	1.01	0.98	1.01	1.00
plasmenyl-PE 36:1; [M+Na]+@7.075	ME455354	1.03	0.96	1.02	1.01
SM 40:2; [M]+@7.04	ME455392	1.03	0.97	0.99	1.01
SM 32:1; [M+Na]+@4.405	ME455374	1.04	1.00	1.00	0.92
lysoPC 18:0; [M+Na]+@1.835	ME455274	1.01	0.99	1.02	0.97
lysoPC 16:0; [M+H]+@2.18	ME455272	1.01	1.01	1.00	0.96
PE 38:6; [M+Na]+@5.735	ME455342	1.01	1.01	1.00	0.96
DG 34:2; [M+NH4]+@6.77	ME455244	0.99	1.05	0.93	1.00
DG 36:1; [M+NH4]+@7.71	ME455250	0.99	1.06	0.92	0.99
DG 36:2; [M+NH4]+@7.27	ME455251	1.00	1.04	0.96	0.98
DG 36:3; [M+NH4]+@6.87	ME455252	1.01	1.03	0.94	0.99
TG 50:1; [M+NH4]+@10.11	ME455421	0.94	1.08	0.93	1.04
TG 54:3; [M+NH4]+@10.15	ME455446	0.95	1.06	0.97	1.02
PE 40:2; [M+H]+@7.6525	ME455344	0.95	1.04	0.90	1.12
TG 48:0; [M+NH4]+@10.07	ME455413	0.96	1.09	0.87	1.05
lysoPC 20:2; [M+H]+@1.39	ME455276	0.86	1.07	1.16	0.97
TG 48:2; [M+NH4]+@9.58	ME455415	0.83	1.04	1.17	1.04
SM 41:1; [M+Na]+@7.895	ME455393	0.83	1.02	1.08	1.18
SM 41:2; [M]+@7.22	ME455394	0.93	0.97	1.04	1.13
SM 42:2; [M+Na]+@7.48	ME455400	0.98	0.82	1.23	1.10
PE 40:3; [M+H]+@6.93	ME455345	0.96	0.88	1.11	1.15
plasmenyl-PE 38:1; [M+H]+@7.67	ME455358	0.94	0.91	1.12	1.13
TG 50:3; [M+NH4]+@9.615	ME455423	0.95	0.90	1.19	1.06
TG 52:4; [M+NH4]+@9.67	ME455434	1.00	0.90	1.11	1.06
TG 56:6; [M+NH4]+@9.83	ME455464	1.00	1.18	0.89	0.80
CE 18:2; [M+NH4]+@10.26	ME455222	1.10	1.08	0.81	0.90
CE 20:4; [M+NH4]+@10.12	ME455228	1.10	1.12	0.80	0.84
TG 56:5; [M+NH4]+@10.04	ME455463	0.97	1.18	0.81	0.95
TG 50:0; [M+NH4]+@10.33	ME455420	0.95	1.13	0.83	1.03
TG 56:4; [M+NH4]+@10.235	ME455462	0.93	1.17	0.83	1.00
TG 48:1; [M+NH4]+@9.815	ME455414	0.88	1.14	0.94	1.03
TG 52:1; [M+NH4]+@10.325	ME455431	0.88	1.17	0.87	1.05
TG 54:2; [M+NH4]+@10.365	ME455445	0.88	1.20	0.84	1.03
PE 38:1; [M+H]+@7.4725	ME455341	1.05	1.09	0.69	1.07
TG 52:0; [M+NH4]+@10.6	ME455430	0.93	1.17	0.73	1.10
DG 38:5; [M+NH4]+@6.73	ME455262	1.43	0.96	0.91	0.44
PS 36:1; [M+Na]+@5.42	ME455366	1.36	1.08	0.79	0.48
DG 36:0; [M+NH4]+@8.13	ME455249	1.32	0.88	0.91	0.75
DG 36:4; [M+NH4]+@6.61	ME455253	1.24	1.01	0.95	0.63
SM 42:2; [M]+@9.01	ME455399	1.52	0.64	1.07	0.66
SM 35:2; [M]+@5.07	ME455380	1.31	0.70	1.07	0.91
SM 41:5; [M]+@6.10	ME455396	1.19	0.77	1.17	0.90
SM 34:2; [M+Na]+@4.64	ME455377	0.92	NA	2.27	1.66
SM 43:1; [M]+@8.60	ME455402	0.82	0.42	1.37	1.90
PC 34:1; [M+Na]+@8.75	ME455295	1.36	0.25	1.66	0.99
TG 52:5; [M+NH4]+@9.435	ME455435	1.17	0.23	1.84	1.16
PC 38:2; [M+Na]+@7.26	ME455311	0.93	0.31	1.71	1.54
plasmenyl-PE 32:0; [M+H]+@6.41	ME455351	1.02	0.46	1.61	1.26
SM 44:2; [M]+@8.11	ME455405	0.36	0.95	1.75	1.41
lysoPE 20:0; [M+H]+@2.51	ME455283	0.75	0.82	1.40	1.30
PC 40:0; [M+H]+@6.93	ME455319	0.73	0.82	1.59	1.15

Factors:

F1	Race:AA \| Diagnosis:Benign
F2	Race:AA \| Diagnosis:Cancer
F3	Race:EA \| Diagnosis:Benign
F4	Race:EA \| Diagnosis:Cancer

Data matrix