Metabolomics Workbench : NIH Data Repository

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

C18 NEGATIVE ION MODE (Analysis AN001058)

Metabolite	Structure	F1	F2	F3	F4
PI 40:4; [M-H]-@6.31	ME191546	1.99	1.04	0.80	0.64
FFA(24:3)	ME191449	0.58	0.60	1.38	1.10
PC 32:2; [M-Ac-H]-@5.80	ME191473	0.84	0.88	1.42	0.80
lysoPE 20:3; [M-H]-@1.63	ME191554	1.44	0.74	0.73	1.12
lysoPE 22:5; [M-H]-@1.53	ME191557	1.45	0.61	0.87	1.07
PE 32:1; [M-H]-@6.27	ME191504	1.17	0.54	1.30	0.90
PA 38:4; [M-H]-@7.02	ME191466	0.63	0.98	1.00	1.19
N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.96	ME191453	0.70	0.75	1.05	1.24
plasmenyl-PE 34:3; [M-H]-@6.54	ME191563	0.76	0.75	0.97	1.27
plasmenyl-PE 42:6; [M-H]-@7.82	ME191578	1.15	1.07	0.68	1.15
PG 38:4; [M-H]-@6.06	ME191535	1.25	1.26	0.72	0.97
PA 36:4; [M-H]-@6.29	ME191464	1.19	1.10	0.88	0.94
PE 32:0; [M-H]-@6.80	ME191503	1.22	1.19	0.92	0.86
lysoPE 22:4; [M-H]-@1.93	ME191556	0.83	1.11	0.91	1.10
PC 38:0; [M-Ac-H]-@8.18	ME191490	0.84	1.23	0.99	0.97
PG 33:0; [M-H]-@6.07	ME191529	1.05	1.15	0.94	0.95
PC 41:6; [M-Ac-H]-@7.09	ME191502	1.03	1.07	1.06	0.91
CerP 34:2; [M-H]-@5.45	ME191431	1.08	1.02	1.03	0.93
PA 35:1; [M-H]-@6.95	ME191460	1.07	1.07	0.99	0.93
PI 40:6; [M-H]-@5.80	ME191548	1.04	1.22	1.04	0.84
plasmenyl-PE 38:3; [M-H]-@7.59	ME191570	0.91	1.19	1.09	0.88
PG 35:0; [M-H]-@6.61	ME191531	0.77	1.15	1.15	0.93
plasmenyl-PE 38:1; [M-H]-@8.28	ME191568	0.96	1.07	1.22	0.81
PC 40:7; [M-Ac-H]-@6.37	ME191501	1.24	1.09	1.05	0.79
lysoPE 20:2; [M-H]-@2.09	ME191553	1.20	0.92	1.14	0.82
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45	ME191450	1.17	0.97	1.08	0.87
plasmenyl-PE 40:6; [M-H]-@7.25	ME191576	1.35	0.97	0.88	0.94
CL 76:5; [M-2H](2-)@7.09	ME191428	1.28	0.87	0.92	0.99
lysoPE 16:0; [M-H]-@1.72	ME191549	1.30	0.93	0.92	0.95
PE 35:1; [M-H]-@6.61	ME191510	1.36	0.92	1.03	0.83
PC 37:2; [M-Ac-H]-@7.37	ME191488	1.33	0.83	1.06	0.87
PC 37:1; [M-Ac-H]-@7.83	ME191487	1.28	0.82	1.09	0.88
PE 38:3; [M-H]-@6.70	ME191520	1.30	0.79	1.11	0.87
PE 40:8; [M-H]-@5.98	ME191528	1.39	0.86	0.96	0.91
CerP 32:1; [M-H]-@5.21	ME191429	1.31	0.78	1.00	0.95
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44	ME191455	1.28	0.78	1.02	0.95
PE 35:0; [M-H]-@7.66	ME191509	1.29	0.82	0.98	0.96
plasmenyl-PE 36:5; [M-H]-@6.37	ME191567	1.33	0.83	0.98	0.93
FFA(22:3)	ME191445	0.97	0.57	1.23	1.04
PC 33:2; [M-Ac-H]-@6.15	ME191474	0.93	0.67	1.15	1.08
PE 35:4; [M-H]-@6.11	ME191512	0.94	0.72	1.10	1.09
plasmenyl-PE 36:1; [M-H]-@7.76	ME191565	0.92	0.69	1.11	1.11
PG 34:2; [M-H]-@5.34	ME191530	1.12	0.60	0.89	1.23
PC 34:4; [M-Ac-H]-@5.75	ME191478	1.14	0.68	0.97	1.11
lysoPE 18:1; [M-H]-@1.83	ME191551	1.15	0.78	0.93	1.10
plasmenyl-PE 32:1; [M-H]-@6.64	ME191559	1.12	0.78	0.92	1.12
FFA(24:1)	ME191447	1.17	0.82	0.93	1.07
PC 37:4; [M-Ac-H]-@6.68	ME191489	1.18	0.80	0.90	1.09
lysoPE 18:2; [M-H]-@1.41	ME191552	1.22	0.74	0.96	1.06
lysoPE 20:4; [M-H]-@1.39	ME191555	1.25	0.71	0.89	1.11
PG 36:4; [M-H]-@5.43	ME191534	1.15	0.71	1.10	0.99
plasmenyl-PE 36:4; [M-H]-@6.71	ME191566	1.16	0.71	1.07	1.01
PC 38:3; [M-Ac-H]-@7.35	ME191493	1.27	0.68	1.10	0.94
plasmenyl-PE 38:4; [M-H]-@6.96	ME191571	1.24	0.66	1.20	0.89
plasmenyl-PE 38:6; [M-H]-@6.61	ME191573	1.20	0.72	1.15	0.92
FFA(18:2)	ME191437	1.07	0.80	1.14	0.95
FFA(20:1)	ME191439	1.04	0.83	1.15	0.94
PA 34:3; [M-H]-@6.04	ME191459	1.04	0.83	1.13	0.96
PE 34:3; [M-H]-@6.06	ME191508	1.12	0.86	1.10	0.93
PE 36:3; [M-H]-@6.60	ME191515	1.12	0.85	1.08	0.95
PC 34:3; [M-Ac-H]-@6.00	ME191477	1.06	0.86	1.09	0.97
FFA(18:1)	ME191436	1.07	0.84	1.10	0.96
PE 36:1; [M-H]-@7.51	ME191514	1.09	0.83	1.10	0.96
PC 39:5; [M-Ac-H]-@6.72	ME191498	1.19	0.85	1.03	0.95
PE 38:1; [M-H]-@7.53	ME191519	1.20	0.86	1.05	0.93
FFA(20:4) Arachidonic acid	ME191441	1.14	0.87	1.02	0.98
PE 38:5; [M-H]-@6.59	ME191522	1.14	0.84	1.05	0.97
PI 35:1; [M-H]-@5.91	ME191538	1.12	0.81	1.07	0.98
FFA(22:2)	ME191444	1.14	0.80	1.21	0.86
FFA(20:2)	ME191440	1.05	0.79	1.20	0.92
plasmenyl-PE 40:4; [M-H]-@7.57	ME191574	1.04	0.74	1.16	0.99
PI 34:2; [M-H]-@5.27	ME191537	1.00	0.80	1.00	1.10
PI 38:5; [M-H]-@5.40	ME191545	1.05	0.82	0.97	1.09
FFA(24:0)	ME191446	1.04	0.77	1.00	1.09
PE 36:5; [M-H]-@5.96	ME191517	1.05	0.77	0.96	1.12
plasmenyl-PE 32:0; [M-H]-@7.15	ME191558	1.03	0.71	1.03	1.10
plasmenyl-PE 34:2; [M-H]-@6.79	ME191562	1.01	0.76	1.07	1.06
plasmenyl-PE 38:5; [M-H]-@6.82	ME191572	1.03	0.77	1.06	1.05
plasmenyl-PE 38:2; [M-H]-@7.35	ME191569	0.93	0.81	1.09	1.06
PG 36:2; [M-H]-@6.09	ME191533	0.95	0.78	1.05	1.10
PI 36:3; [M-H]-@5.39	ME191541	0.88	0.82	1.04	1.12
FFA(22:1)	ME191443	0.90	0.83	1.07	1.08
PE 36:4; [M-H]-@6.39	ME191516	0.91	0.80	1.05	1.10
plasmenyl-PE 36:0; [M-H]-@7.32	ME191564	0.93	0.83	1.04	1.09
PC 30:1; [M-Ac-H]-@5.60	ME191470	0.93	0.82	0.97	1.15
CerP 34:1; [M-H]-@5.95	ME191430	0.93	0.87	0.99	1.11
plasmenyl-PE 34:1; [M-H]-@7.24	ME191561	0.89	0.87	0.99	1.13
PE 34:1; [M-H]-@6.90	ME191506	0.84	0.96	1.01	1.10
PI 36:4; [M-H]-@5.24	ME191542	0.86	0.93	1.08	1.04
plasmenyl-PE 34:0; [M-H]-@7.22	ME191560	0.89	0.89	1.09	1.03
lysoPE 18:0; [M-H]-@2.48	ME191550	1.14	0.94	0.86	1.07
PA 38:6; [M-H]-@6.27	ME191468	1.07	0.93	0.89	1.09
PE 40:2; [M-H]-@7.53	ME191524	1.14	1.01	0.93	0.98
PE 40:5; [M-H]-@7.12	ME191525	1.16	0.98	0.91	1.01
PC 35:1; [M-Ac-H]-@7.23	ME191480	1.04	1.01	0.94	1.03
PE 40:7; [M-H]-@6.47	ME191527	1.10	1.01	0.91	1.02
PA 40:6; [M-H]-@6.51	ME191469	1.08	0.97	0.95	1.01
PC 40:6; [M-Ac-H]-@6.82	ME191500	1.09	0.97	0.93	1.03
PC 34:2; [M-Ac-H]-@6.42	ME191476	0.96	0.92	1.01	1.06
PA 34:1; [M-H]-@6.87	ME191457	0.98	0.92	1.02	1.03
PE 38:6; [M-H]-@6.18	ME191523	0.96	0.94	1.02	1.04
PA 34:2; [M-H]-@6.46	ME191458	0.93	0.94	1.03	1.05
PG 36:0; [M-H]-@6.89	ME191532	0.92	0.97	1.03	1.03
PA 36:3; [M-H]-@6.50	ME191463	1.01	0.86	1.02	1.05
PE 35:2; [M-H]-@6.73	ME191511	1.01	0.85	1.04	1.04
FFA(22:0)	ME191442	1.03	0.90	1.01	1.03
PC 36:4; [M-Ac-H]-@6.30	ME191485	1.02	0.89	1.02	1.03
N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.51	ME191452	0.99	0.89	1.04	1.03
PA 36:2; [M-H]-@6.89	ME191462	1.01	0.91	1.04	1.01
PE 36:0; [M-H]-@7.93	ME191513	1.01	0.90	1.03	1.02
FFA(24:2)	ME191448	1.04	0.96	0.96	1.04
CerP 41:1; [M-H]-@8.23	ME191433	1.00	0.93	0.98	1.05
PC 36:1; [M-Ac-H]-@7.55	ME191482	1.05	0.91	0.99	1.03
PC 38:5; [M-Ac-H]-@6.56	ME191495	1.03	0.92	0.98	1.04
PE 33:1; [M-H]-@6.63	ME191505	1.13	0.97	1.01	0.95
PI 38:3; [M-H]-@6.09	ME191543	1.14	0.93	1.02	0.95
PC 36:2; [M-Ac-H]-@7.02	ME191483	1.06	0.88	1.02	1.02
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.85	ME191454	1.06	0.87	1.00	1.03
PC 35:2; [M-Ac-H]-@6.74	ME191481	1.08	0.88	1.00	1.02
PC 40:5; [M-Ac-H]-@7.02	ME191499	1.09	0.91	1.00	1.01
PA 38:5; [M-H]-@6.51	ME191467	1.10	0.89	0.98	1.02
PC 38:4; [M-Ac-H]-@6.96	ME191494	1.09	0.91	0.97	1.03
PC 38:7; [M-Ac-H]-@5.60	ME191497	1.13	0.92	0.98	0.99
PE 34:2; [M-H]-@6.49	ME191507	1.13	0.93	0.99	0.98
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.94	ME191456	1.14	0.91	0.95	1.01
PC 38:6; [M-Ac-H]-@6.21	ME191496	1.11	0.92	0.95	1.02
plasmenyl-PE 40:5; [M-H]-@7.41	ME191575	1.05	0.96	1.04	0.96
FFA(20:0)	ME191438	1.05	0.95	1.02	0.99
PA 36:1; [M-H]-@7.52	ME191461	1.05	0.97	0.99	0.99
PC 36:3; [M-Ac-H]-@6.60	ME191484	1.06	0.85	1.05	1.01
PC 35:0; [M-Ac-H]-@7.73	ME191479	1.10	0.90	1.03	0.98
PC 38:1; [M-Ac-H]-@7.67	ME191491	1.09	0.93	1.04	0.96
FFA(16:0)	ME191434	1.05	0.90	1.07	0.97
PA 36:5; [M-H]-@5.99	ME191465	1.05	0.88	1.06	0.98
FFA(18:0)	ME191435	1.05	0.92	1.04	0.98
PC 32:0; [M-Ac-H]-@6.83	ME191471	1.04	0.91	1.03	1.00
CerP 35:1; [M-H]-@6.29	ME191432	1.00	1.02	0.84	1.11
PE 37:4; [M-H]-@6.71	ME191518	1.01	0.94	0.83	1.16
PC 36:5; [M-Ac-H]-@5.93	ME191486	1.01	0.90	0.94	1.09
PI 36:1; [M-H]-@6.24	ME191539	1.00	0.89	0.93	1.11
PE 40:6; [M-H]-@6.95	ME191526	0.90	0.95	0.91	1.15
PE 38:4; [M-H]-@7.05	ME191521	0.93	0.94	0.93	1.12
PI 34:1; [M-H]-@5.70	ME191536	0.94	0.93	0.96	1.10
PI 38:4; [M-H]-@5.90	ME191544	0.98	1.01	0.93	1.07
PI 40:5; [M-H]-@5.95	ME191547	1.02	0.99	0.91	1.07
PC 34:1; [M-Ac-H]-@6.88	ME191475	0.95	0.98	0.99	1.05
CL 72:3; [M-2H](2-)@6.91	ME191427	0.97	0.95	0.94	1.09
PI 36:2; [M-H]-@5.89	ME191540	0.98	0.96	0.96	1.06
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46	ME191451	1.01	0.84	0.90	1.16
PC 32:1; [M-Ac-H]-@6.36	ME191472	1.07	0.82	0.89	1.14
PC 38:2; [M-Ac-H]-@7.73	ME191492	0.93	0.88	0.88	1.19
plasmenyl-PE 42:5; [M-H]-@7.94	ME191577	0.92	0.85	0.84	1.24

Factors:

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

Data matrix