Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Lipodomics and Gestational bisphenol A (BPA) exposure (Study ST000686)

C18 POSITIVE ION MODE (Analysis AN001059)

Metabolite	Structure	F1	F2	F3	F4
PC 37:7; [M+Na]+@4.50	ME191608	0.42	0.51	0.95	1.58
TG 40:0; [M+NH4]+@9.43	ME191649	0.45	1.32	1.10	1.04
TG 42:1; [M+NH4]+@9.55	ME191651	0.57	1.13	1.23	0.96
TG 58:12; [M+NH4]+@9.60	ME191712	0.67	1.25	1.07	0.99
TG 44:1; [M+NH4]+@9.81	ME191652	0.85	0.91	1.46	0.75
TG 58:2; [M+NH4]+@11.33	ME191713	0.88	0.87	0.77	1.31
PC 36:6; [M+H]+@4.43	ME191607	0.85	0.70	1.04	1.19
plasmenyl-PE 36:2; [M+H]+@7.39	ME191747	0.89	0.73	0.92	1.25
PC 39:7; [M+Na]+@5.26	ME191609	0.72	0.68	0.87	1.40
PC 40:8; [M+H]+@5.23	ME191612	0.65	0.78	1.08	1.22
TG 44:2; [M+NH4]+@9.56	ME191653	0.61	0.73	1.01	1.33
TG 42:0; [M+NH4]+@9.77	ME191650	0.77	1.03	1.30	0.86
DG 32:1; [M+NH4]+@7.49	ME191589	0.82	0.93	1.26	0.92
TG 58:6; [M+NH4]+@10.62	ME191714	0.82	1.00	1.24	0.90
DG 34:2; [M+NH4]+@7.60	ME191591	0.87	0.82	1.28	0.93
DG 38:6; [M+NH4]+@7.31	ME191599	0.86	0.72	1.18	1.06
CE(16:0); [M+NH4]+@10.96	ME191579	0.89	0.81	1.13	1.05
PC 34:5; [M+H]+@5.85	ME191604	0.84	0.82	1.17	1.03
PC 35:5; [M+H]+@6.11	ME191606	0.83	1.04	1.08	1.00
TG 55:3; [M+NH4]+@10.77	ME191698	0.84	0.97	1.13	0.99
TG 56:1; [M+NH4]+@11.22	ME191701	0.89	0.95	1.10	1.01
PC 33:3; [M+Na]+@5.73	ME191603	0.82	0.87	1.03	1.13
plasmenyl-PC 44:4; [M+Na]+@8.57	ME191746	0.72	0.87	1.11	1.12
PC 42:7; [M+H]+@7.55	ME191614	1.30	0.70	0.99	1.01
TG 54:3; [M+NH4]+@10.67	ME191691	1.21	0.89	1.06	0.90
TG 53:0; [M+NH4]+@11.13	ME191683	1.24	0.88	1.03	0.92
TG 53:2; [M+NH4]+@10.73	ME191685	1.24	0.84	1.04	0.93
TG 56:7; [M+NH4]+@10.25	ME191707	1.22	0.86	1.06	0.92
TG 56:6; [M+NH4]+@10.41	ME191706	1.18	0.87	1.12	0.88
TG 48:0; [M+NH4]+@10.57	ME191657	1.20	0.93	1.08	0.87
TG 49:2; [M+NH4]+@10.25	ME191663	1.17	0.91	1.08	0.89
lysoPC 22:4; [M+H]+@1.87	ME191733	1.19	0.77	1.04	0.98
TG 53:4; [M+NH4]+@10.37	ME191687	1.27	0.79	1.00	0.97
CE(20:5); [M+NH4]+@10.39	ME191586	1.24	0.82	0.99	0.98
DG 36:1; [M+NH4]+@8.50	ME191593	1.26	0.81	0.97	0.99
TG 51:4; [M+NH4]+@10.14	ME191675	1.27	0.89	0.99	0.93
TG 58:11; [M+NH4]+@9.77	ME191711	1.25	0.88	0.95	0.97
TG 49:0; [M+NH4]+@10.68	ME191661	1.40	0.86	0.98	0.89
TG 56:10; [M+NH4]+@9.70	ME191702	1.41	0.87	1.05	0.82
TG 54:0; [M+NH4]+@11.20	ME191688	1.32	0.81	1.18	0.79
TG 50:0; [M+NH4]+@10.80	ME191665	1.32	0.83	1.09	0.85
TG 52:0; [M+NH4]+@11.04	ME191676	1.31	0.82	1.11	0.85
TG 56:4; [M+NH4]+@10.74	ME191704	0.96	1.11	1.09	0.89
TG 54:8; [M+NH4]+@9.71	ME191697	1.01	1.15	1.04	0.89
TG 58:10; [M+NH4]+@10.00	ME191710	0.99	1.11	1.04	0.91
DG 32:0; [M+NH4]+@7.97	ME191588	0.98	1.06	1.05	0.94
TG 50:5; [M+NH4]+@9.76	ME191670	1.04	1.02	1.04	0.94
TG 46:1; [M+NH4]+@10.10	ME191655	0.93	1.08	1.23	0.81
plasmenyl-PC 20:0; [M+Na]+@2.63	ME191740	0.95	1.09	1.15	0.86
TG 46:2; [M+NH4]+@9.82	ME191656	0.99	1.08	1.15	0.84
SM 31:1; [M]+@4.84	ME191618	1.13	1.05	1.13	0.81
TG 48:2; [M+NH4]+@10.15	ME191659	1.04	1.08	1.21	0.78
TG 48:3; [M+NH4]+@9.97	ME191660	1.07	1.11	1.18	0.77
TG 54:1; [M+NH4]+@10.96	ME191689	1.01	0.86	1.25	0.87
TG 50:4; [M+NH4]+@9.97	ME191669	0.99	0.97	1.20	0.86
TG 52:5; [M+NH4]+@10.09	ME191681	0.98	0.97	1.20	0.86
TG 48:1; [M+NH4]+@10.32	ME191658	1.04	1.01	1.19	0.83
TG 50:3; [M+NH4]+@10.18	ME191668	1.03	1.03	1.18	0.82
TG 50:2; [M+NH4]+@10.35	ME191667	1.05	0.93	1.22	0.83
TG 46:0; [M+NH4]+@10.31	ME191654	1.07	0.93	1.16	0.87
TG 50:1; [M+NH4]+@10.56	ME191666	1.06	0.94	1.19	0.85
TG 52:2; [M+NH4]+@10.60	ME191678	1.07	0.94	1.13	0.89
TG 53:1; [M+NH4]+@10.85	ME191684	1.09	0.93	1.12	0.89
TG 58:7; [M+NH4]+@10.43	ME191715	1.09	0.98	1.14	0.86
TG 49:3; [M+NH4]+@9.99	ME191664	1.07	1.00	1.12	0.87
TG 54:7; [M+NH4]+@9.95	ME191696	1.06	0.99	1.13	0.87
DG 38:4; [M+NH4]+@7.81	ME191597	1.13	0.60	1.00	1.13
DG 36:0; [M+NH4]+@8.88	ME191592	1.15	0.80	0.92	1.09
DG 36:3; [M+NH4]+@7.78	ME191595	1.18	0.77	0.97	1.05
SM 32:0; [M]+@5.49	ME191619	1.05	0.73	1.01	1.10
CE(16:1); [M+NH4]+@10.67	ME191580	1.09	0.78	0.98	1.08
lysoPC 22:5; [M+H]+@1.58	ME191734	1.06	0.80	0.96	1.11
SM 43:1; [M+Na]+@8.68	ME191646	0.91	0.88	1.05	1.07
SM 44:2; [M]+@8.46	ME191648	0.87	0.91	1.07	1.05
SM 37:1; [M]+@7.01	ME191633	0.93	0.84	1.00	1.12
DG 34:0; [M+NH4]+@8.43	ME191590	1.01	0.83	1.00	1.08
plasmenyl-PC 36:0; [M+Na]+@8.05	ME191743	0.95	0.93	1.02	1.05
SM 32:1; [M]+@5.39	ME191621	1.00	0.89	1.04	1.02
SM 32:1; [M+Na]+@5.23	ME191620	0.97	0.88	1.06	1.03
lysoPC 18:2; [M+H]+@1.35	ME191726	0.96	0.85	1.03	1.07
lysoPC 18:3; [M+H]+@1.16	ME191727	0.98	0.86	1.03	1.06
SM 42:1; [M+Na]+@8.46	ME191642	0.95	0.89	1.03	1.06
TG 56:9; [M+NH4]+@9.88	ME191709	0.95	0.88	1.01	1.08
PC 30:0; [M+Na]+@6.14	ME191601	0.88	1.02	0.99	1.06
plasmenyl-PC 40:4; [M+Na]+@7.83	ME191745	0.91	0.98	1.03	1.03
SM 38:1; [M]+@7.08	ME191635	0.96	0.95	0.91	1.12
CE(18:2); [M+NH4]+@10.67	ME191582	0.95	0.94	0.95	1.10
SM 33:2; [M]+@5.19	ME191625	0.98	0.93	0.94	1.10
SM 43:2; [M]+@8.41	ME191647	0.88	0.92	1.00	1.11
SM 34:1; [M]+@5.91	ME191627	0.92	0.94	0.97	1.09
SM 37:2; [M]+@6.50	ME191634	0.90	0.94	0.96	1.11
SM 40:2; [M]+@7.32	ME191639	0.90	0.96	0.96	1.10
lysoPC 22:0; [M+H]+@4.40	ME191732	1.06	0.96	0.87	1.09
CE(20:3); [M+NH4]+@10.81	ME191584	1.11	0.92	0.90	1.07
lysoPC 16:0; [M+H]+@1.68	ME191721	1.08	0.96	0.91	1.06
SM 35:1; [M]+@5.89	ME191629	1.03	1.07	0.98	0.97
SM 36:1; [M+Na]+@6.65	ME191631	1.08	1.05	0.95	0.97
SM 36:2; [M+Na]+@6.13	ME191632	1.02	1.08	0.91	1.02
lysoPC 20:0; [M+H]+@3.47	ME191729	1.06	1.02	0.94	1.01
SM 42:2; [M+Na]+@8.02	ME191643	1.06	0.99	0.95	1.02
CE(18:3); [M+NH4]+@10.50	ME191583	1.03	0.98	0.94	1.04
SM 35:2; [M+Na]+@5.78	ME191630	1.00	1.01	0.94	1.04
SM 41:2; [M+Na]+@7.75	ME191641	1.02	1.01	0.91	1.05
SM 32:2; [M]+@4.61	ME191622	1.07	0.91	0.95	1.05
CE(20:4); [M+NH4]+@10.58	ME191585	1.02	0.92	0.96	1.06
lysoPC 18:1; [M+H]+@1.82	ME191725	1.00	0.91	0.99	1.05
CE(18:1); [M+NH4]+@10.97	ME191581	1.03	0.89	0.99	1.06
SM 41:1; [M+Na]+@8.20	ME191640	1.03	0.90	0.99	1.04
SM 33:1; [M+Na]+@5.58	ME191624	1.00	0.97	1.01	1.01
TG 51:0; [M+NH4]+@10.83	ME191671	1.00	1.00	1.00	1.00
PC 40:4; [M+H]+@7.97	ME191611	1.03	0.93	1.02	1.01
DG 38:5; [M+NH4]+@7.70	ME191598	1.06	0.92	1.04	0.98
PE 36:2; [M+H]+@7.09	ME191616	1.03	0.92	1.05	0.99
MG 17:0; [M+Li]+@3.16	ME191600	1.08	0.99	1.00	0.97
SM 40:1; [M+Na]+@7.91	ME191638	1.06	0.95	0.98	1.01
lysoPC 24:0; [M+H]+@5.32	ME191735	1.07	0.94	1.00	1.00
TG 53:3; [M+NH4]+@10.55	ME191686	1.07	0.94	1.01	0.99
DG 36:2; [M+NH4]+@8.12	ME191594	1.09	0.94	1.01	0.98
SM 34:2; [M+Na]+@5.42	ME191628	1.09	0.96	1.00	0.98
PC 40:9; [M+H]+@6.10	ME191613	1.17	0.92	0.93	1.01
TG 58:9; [M+NH4]+@10.19	ME191717	1.17	0.96	0.96	0.97
lysoPC 18:0; [M+H]+@2.47	ME191724	1.15	0.86	0.96	1.03
plasmenyl-PC 34:0; [M+Na]+@7.76	ME191741	1.10	0.89	1.01	1.00
plasmenyl-PC 18:0; [M+Na]+@1.83	ME191738	1.13	0.86	1.00	1.00
plasmenyl-PC 19:0; [M+Na]+@2.26	ME191739	1.13	0.87	1.00	1.00
PC 35:3; [M+Na]+@6.22	ME191605	1.16	0.90	1.01	0.96
TG 51:1; [M+NH4]+@10.70	ME191672	1.12	0.94	1.04	0.94
TG 58:8; [M+NH4]+@10.31	ME191716	1.21	0.73	1.18	0.88
TG 49:1; [M+NH4]+@10.45	ME191662	1.14	0.91	1.18	0.83
TG 54:2; [M+NH4]+@10.86	ME191690	1.14	0.87	1.17	0.86
TG 52:1; [M+NH4]+@10.81	ME191677	1.18	0.84	1.18	0.84
TG 54:4; [M+NH4]+@10.47	ME191692	1.17	0.80	1.16	0.89
SM 33:0; [M+Na]+@5.85	ME191623	0.98	0.92	1.08	0.98
SM 30:1; [M+Na]+@4.44	ME191617	0.97	0.88	1.13	0.97
TG 56:5; [M+NH4]+@10.65	ME191705	0.98	0.89	1.17	0.93
lysoPC 20:5; [M+H]+@1.15	ME191731	1.02	0.81	1.07	1.03
TG 56:8; [M+NH4]+@10.07	ME191708	1.08	0.83	1.07	0.99
lysoPC 14:0; [M+H]+@1.11	ME191719	1.07	0.84	1.03	1.02
plasmenyl-PC 36:3; [M+Na]+@6.83	ME191744	1.06	0.85	1.00	1.05
lysoPC 20:3; [M+H]+@1.61	ME191730	1.10	0.77	1.12	0.97
TG 56:2; [M+NH4]+@11.01	ME191703	1.03	0.79	1.15	0.97
lysoPC 17:1; [M+H]+@1.57	ME191723	1.13	0.85	1.08	0.94
SM 42:5; [M]+@6.53	ME191645	1.16	0.84	1.09	0.93
TG 54:6; [M+Na]+@10.08	ME191695	1.07	0.92	1.07	0.95
lysoPC 15:0; [M+H]+@1.44	ME191720	1.10	0.87	1.06	0.97
TG 54:6; [M+NH4]+@10.14	ME191694	1.10	0.89	1.07	0.95
TG 54:5; [M+NH4]+@10.32	ME191693	1.06	0.88	1.10	0.95
TG 52:4; [M+NH4]+@10.25	ME191680	1.02	0.90	1.12	0.94
TG 52:6; [M+NH4]+@9.89	ME191682	1.04	0.91	1.11	0.94
TG 52:3; [M+NH4]+@10.40	ME191679	1.08	0.88	1.15	0.90
PC 40:10; [M+H]+@5.69	ME191610	1.11	0.85	1.13	0.92
TG 51:2; [M+NH4]+@10.48	ME191673	1.10	0.86	1.11	0.93
TG 51:3; [M+NH4]+@10.30	ME191674	1.08	0.87	1.11	0.93
PC 42:9; [M+H]+@6.70	ME191615	1.18	1.06	0.98	0.89
CE(22:6); [M+NH4]+@10.52	ME191587	1.16	1.07	0.88	0.98
plasmenyl-PC 34:2; [M+Na]+@6.77	ME191742	1.17	0.99	0.86	1.03
SM 34:0; [M+Na]+@6.24	ME191626	1.16	1.19	0.93	0.88
SM 38:4; [M]+@5.84	ME191636	1.23	1.26	0.93	0.81
DG 36:4; [M+NH4]+@7.32	ME191596	1.31	1.21	0.84	0.87
lysoPC 19:0; [M+H]+@2.98	ME191728	1.37	1.10	0.79	0.93
TG 60:13; [M+NH4]+@9.72	ME191718	1.35	1.12	0.78	0.94
lysoPE 22:6; [M+H]+@1.28	ME191737	0.99	0.97	0.78	1.20
SM 42:4; [M]+@7.07	ME191644	1.04	1.10	0.81	1.09
lysoPC 24:1; [M+H]+@4.44	ME191736	1.01	1.29	0.84	0.98
lysoPC 16:0; [M+H]+@3.15	ME191722	0.91	1.08	0.96	1.04
TG 55:7; [M+NH4]+@10.15	ME191700	0.96	1.10	0.99	0.98
TG 55:4; [M+NH4]+@10.69	ME191699	0.96	1.21	0.87	1.03
PC 30:3; [M+H]+@5.41	ME191602	0.86	1.17	0.94	1.03
SM 39:1; [M+Na]+@7.65	ME191637	0.91	1.17	0.90	1.04

Factors:

F1	BPA_DOSE:Control
F2	BPA_DOSE:High
F3	BPA_DOSE:Low
F4	BPA_DOSE:Medium

Data matrix