Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002764)

Reversed phase POSITIVE ION MODE (Analysis AN004499)

Metabolite	Structure	F1	F2
TAG 60:5;	ME716801	1.37	0.63
TAG 42:3;	ME716683	1.31	0.69
TAG 62:4;	ME716806	1.31	0.69
TAG 58:3;	ME716786	1.34	0.66
TAG 60:4;	ME716800	1.34	0.66
TAG 40:1;	ME716679	1.29	0.71
TAG 42:2;	ME716682	1.28	0.72
TAG 60:6;	ME716802	1.26	0.74
TAG 44:2;	ME716686	1.26	0.74
TAG 46:5;	ME716693	1.26	0.74
TAG 62:3;	ME716805	1.27	0.73
TAG 50:0; TAG 16:0-16:0-18:0;	ME716709	1.27	0.73
TAG 60:3;	ME716799	1.27	0.73
TAG 44:0;	ME716684	1.19	0.81
TAG 57:1;	ME716779	1.19	0.81
TAG 46:2;	ME716690	1.18	0.82
TAG 46:3; A	ME716691	1.18	0.82
TAG 58:1;	ME716782	1.20	0.80
TAG 56:2;	ME716765	1.20	0.80
TAG 54:1;	ME716741	1.20	0.80
TAG 47:1; TAG 14:0-15:0-18:1;	ME716695	1.20	0.80
TAG 42:0;	ME716680	1.20	0.80
TAG 46:0;	ME716688	1.20	0.80
TAG 58:5;	ME716788	1.21	0.79
TAG 56:1;	ME716762	1.21	0.79
TAG 56:3;	ME716767	1.21	0.79
TAG 60:1;	ME716796	1.22	0.78
TAG 48:6;	ME716704	1.22	0.78
TAG 42:1;	ME716681	1.22	0.78
TAG 46:4; A	ME716692	1.22	0.78
TAG 60:2;	ME716798	1.23	0.77
TAG 44:1;	ME716685	1.23	0.77
TAG 59:2;	ME716794	1.23	0.77
TAG 58:4;	ME716787	1.25	0.75
TAG 58:2;	ME716785	1.24	0.76
TAG 62:2;	ME716804	1.24	0.76
SM d40:3; SM d12:0/28:3;	ME716660	0.88	1.12
CE 22:6;	ME716462	0.92	1.08
SM d36:3;	ME716649	0.91	1.09
CE 16:0;	ME716452	0.91	1.09
LPC 18:2;	ME716499	0.91	1.09
CE 18:0;	ME716454	0.90	1.10
CE 18:2;	ME716456	0.90	1.10
TAG 52:2;	ME716725	0.80	1.20
DG 36:5;	ME716479	0.83	1.17
PC p-40:7; or PC o-40:8;	ME716618	0.85	1.15
TAG 64:4;	ME716809	1.09	0.91
TAG 64:3;	ME716808	1.09	0.91
TAG 56:5; B	ME716769	1.09	0.91
TAG 55:2;	ME716756	1.09	0.91
TAG 54:5; B	ME716746	1.09	0.91
TAG 52:6;	ME716731	1.09	0.91
TAG 51:0; TAG 16:0-17:0-18:0;	ME716717	1.09	0.91
TAG 48:3;	ME716700	1.09	0.91
AC 12:1;	ME716444	1.09	0.91
SM d42:0;	ME716667	1.09	0.91
TAG 50:3; A	ME716712	1.08	0.92
TAG 50:2;	ME716711	1.08	0.92
TAG 48:4; A	ME716701	1.08	0.92
TAG 47:0; TAG 14:0-16:0-17:0;	ME716694	1.08	0.92
DG 34:1;	ME716472	1.08	0.92
SM d42:1; B	ME716669	1.08	0.92
TAG 58:10; TAG 16:0-20:4-22:6;	ME716784	1.10	0.90
TAG 54:7; TAG 16:0-16:1-22:6;	ME716752	1.10	0.90
TAG 49:0;	ME716705	1.10	0.90
TAG 45:1; TAG 12:0-16:0-17:1;	ME716687	1.10	0.90
PC 28:0;	ME716511	1.10	0.90
PC 37:6; B	ME716560	1.10	0.90
TAG 62:1;	ME716803	1.11	0.89
TAG 56:4; TAG 18:0-18:1-20:3;	ME716768	1.11	0.89
TAG 56:0;	ME716761	1.11	0.89
TAG 40:0;	ME716678	1.11	0.89
TAG 52:6; TAG 16:1-18:2-18:3;	ME716732	1.11	0.89
TAG 58:7; TAG 18:0-18:2-22:5;	ME716791	1.13	0.87
TAG 50:6;	ME716715	1.13	0.87
PC 32:1;	ME716518	1.13	0.87
TAG 48:2;	ME716699	1.13	0.87
TAG 55:1;	ME716755	1.12	0.88
TAG 48:1;	ME716698	1.12	0.88
TAG 53:0;	ME716733	1.12	0.88
CE 16:1;	ME716453	1.14	0.86
TAG 59:3;	ME716795	1.15	0.85
TAG 58:6;	ME716789	1.15	0.85
TAG 57:2;	ME716780	1.15	0.85
TAG 56:7; B	ME716773	1.15	0.85
TAG 50:6; TAG 14:1-18:2-18:3;	ME716716	1.15	0.85
TAG 48:5;	ME716703	1.15	0.85
TAG 48:0;	ME716697	1.15	0.85
PC 30:1;	ME716513	1.15	0.85
PE 36:1;	ME716624	1.15	0.85
TAG 54:2;	ME716742	1.16	0.84
TAG 46:1;	ME716689	1.16	0.84
PC 42:6; A	ME716591	1.16	0.84
DG 36:1;	ME716475	1.16	0.84
PC 42:5;	ME716590	1.16	0.84
TAG 52:1;	ME716723	1.17	0.83
TAG 58:0;	ME716781	1.17	0.83
TAG 55:6; TAG 16:0-17:1-22:5;	ME716760	0.99	1.01
TAG 52:3;	ME716728	0.99	1.01
TAG 51:3;	ME716720	0.99	1.01
SM d44:2;	ME716676	0.99	1.01
SMd30:1;	ME716677	0.99	1.01
PE p-40:5/PE o-40:6;	ME716635	0.99	1.01
PC p-40:6/PC o-40:7; A	ME716616	0.99	1.01
PC p-40:5/PC o-40:6;	ME716615	0.99	1.01
PC p-38:6/PC o-38:7;	ME716611	0.99	1.01
PC 40:8; A	ME716586	0.99	1.01
PC 38:7; PC 16:1-22:6;	ME716574	0.99	1.01
PC 37:4;	ME716557	0.99	1.01
PC 36:5; A	ME716550	0.99	1.01
PC 35:3;	ME716539	0.99	1.01
LPE 18:0;	ME716508	0.99	1.01
LPC 22:4;	ME716491	0.99	1.01
LPC 20:1;	ME716489	0.99	1.01
LPC 18:1;	ME716498	0.99	1.01
LPC 17:1;	ME716487	0.99	1.01
Cer d34:1;	ME716463	0.99	1.01
Lactosylceramide d18:1/24:1 15Z;	ME716486	0.99	1.01
TAG 58:9;	ME716793	0.98	1.02
TAG 56:9; B	ME716777	0.98	1.02
TAG 56:7; A	ME716772	0.98	1.02
TAG 52:2; TAG 18:0-16:1-18:1;	ME716727	0.98	1.02
SM d41:2; A	ME716664	0.98	1.02
SM d41:1; A	ME716662	0.98	1.02
SM d38:1;	ME716652	0.98	1.02
SM d37:1;	ME716650	0.98	1.02
SM d36:2;	ME716648	0.98	1.02
SM d33:1;	ME716642	0.98	1.02
PE p-40:4/PE o-40:5; B	ME716634	0.98	1.02
PC p-40:4/PC o-40:5;	ME716614	0.98	1.02
PC p-38:5/PC o-38:6; B	ME716610	0.98	1.02
PC p-38:2; or PC o-38:3;	ME716604	0.98	1.02
PC p-36:5/PC o-36:6;	ME716603	0.98	1.02
PC p-36:4/PC o-36:5;	ME716602	0.98	1.02
PC 38:6; A	ME716570	0.98	1.02
PC 36:6;	ME716554	0.98	1.02
PC 36:4; A	ME716546	0.98	1.02
PC 35:2; A	ME716537	0.98	1.02
PC 34:0e;	ME716526	0.98	1.02
PC 31:0; A	ME716514	0.98	1.02
GlcCer d40:1;	ME716483	0.98	1.02
Cer d40:1;	ME716466	0.98	1.02
Cer d38:1;	ME716465	0.98	1.02
AC 18:0;	ME716448	0.98	1.02
CE 22:2;	ME716461	0.98	1.02
TAG 56:9; A	ME716776	0.97	1.03
TAG 56:8; A	ME716774	0.97	1.03
TAG 53:5;	ME716738	0.97	1.03
TAG 53:4;	ME716737	0.97	1.03
TAG 52:5;	ME716730	0.97	1.03
TAG 51:5;	ME716722	0.97	1.03
SM d40:2; B	ME716659	0.97	1.03
SM d40:1;	ME716657	0.97	1.03
SM d39:2;	ME716655	0.97	1.03
SM d39:1;	ME716654	0.97	1.03
SM d38:2;	ME716653	0.97	1.03
PC p-42:3; or PC o-42:4;	ME716619	0.97	1.03
PC p-36:1/PC o-36:2; B	ME716599	0.97	1.03
PC p-34:2/PC o-34:3;	ME716597	0.97	1.03
PC 40:8; B	ME716587	0.97	1.03
PC 40:3e;	ME716579	0.97	1.03
PC 37:5;	ME716558	0.97	1.03
PC 35:4;	ME716540	0.97	1.03
PC 33:2;	ME716524	0.97	1.03
LPE 18:2;	ME716509	0.97	1.03
LPC p-18:0; or LPC o-18:1;	ME716507	0.97	1.03
LPC 20:0;	ME716488	0.97	1.03
LPC 18:0;	ME716497	0.97	1.03
LPC 16:0;	ME716495	0.97	1.03
GlcCer d34:1;	ME716482	0.97	1.03
Cer d42:2; B	ME716470	0.97	1.03
Cer d41:1;	ME716467	0.97	1.03
CE 20:5;	ME716460	0.97	1.03
AC 18:1;	ME716449	0.97	1.03
CE 20:4;	ME716459	0.97	1.03
DG 36:4; A	ME716478	0.93	1.07
PC 39:6;	ME716577	0.93	1.07
SM d43:1;	ME716673	0.94	1.06
SM d41:4;	ME716666	0.94	1.06
PC p-40:6/PC o-40:7; B	ME716617	0.94	1.06
PC p-40:1; or PC o-40:2;	ME716612	0.94	1.06
PC 37:6; A	ME716559	0.94	1.06
LPC 22:5;	ME716504	0.94	1.06
LPC 15:0;	ME716494	0.94	1.06
LPC 20:4;	ME716502	0.94	1.06
TAG 58:10;	ME716783	0.96	1.04
TAG 54:6; A	ME716747	0.96	1.04
TAG 51:4;	ME716721	0.96	1.04
SM d43:4;	ME716675	0.96	1.04
SM d41:2;B	ME716665	0.96	1.04
SM d32:0;	ME716639	0.96	1.04
PC p-40:3/PC o-40:4;	ME716613	0.96	1.04
PC p-36:1/PC o-36:2; A	ME716598	0.96	1.04
LPC p-16:0; or LPC o-16:1;	ME716506	0.96	1.04
LPC o-16:0;	ME716505	0.96	1.04
LPC 22:6;	ME716492	0.96	1.04
LPC 20:3;	ME716501	0.96	1.04
LPC 20:2;	ME716490	0.96	1.04
LPC 18:3;	ME716500	0.96	1.04
DG 36:3;	ME716477	0.96	1.04
CE 20:3;	ME716458	0.96	1.04
CE 18:1;	ME716455	0.96	1.04
CE 18:3;	ME716457	0.96	1.04
TAG 54:7; A	ME716750	0.95	1.05
TAG 54:5; A	ME716745	0.95	1.05
TAG 52:4;	ME716729	0.95	1.05
SM d43:2;	ME716674	0.95	1.05
SM d41:1; B	ME716663	0.95	1.05
PC p-42:5/PC o-42:6; A	ME716620	0.95	1.05
PC p-36:2/PC o-36:3;	ME716600	0.95	1.05
PC p-34:1/PC o-34:2;	ME716596	0.95	1.05
PC 42:6; B	ME716592	0.95	1.05
LPC 20:5;	ME716503	0.95	1.05
PC 35:5;	ME716541	0.95	1.05
TAG 56:5; C	ME716770	1.00	1.00
TAG 54:4;	ME716744	1.00	1.00
TAG 53:3;	ME716736	1.00	1.00
TAG 49:3;	ME716708	1.00	1.00
SM d40:4;	ME716661	1.00	1.00
SM d32:2;	ME716641	1.00	1.00
PE p-38:4/PE o-38:5;	ME716632	1.00	1.00
PC p-44:4/PC o-44:5;	ME716622	1.00	1.00
PC p-38:4/PC o-38:5; B	ME716608	1.00	1.00
PC p-38:3/PC o-38:4; B	ME716606	1.00	1.00
PC p-36:3; or PC o-36:4;	ME716601	1.00	1.00
PC 39:5;	ME716576	1.00	1.00
PC 38:5; A	ME716567	1.00	1.00
PC 36:5; PC 16:0-20:5;	ME716553	1.00	1.00
PC 34:3; C	ME716533	1.00	1.00
PC 33:1; B	ME716523	1.00	1.00
PC 32:2;	ME716519	1.00	1.00
PC 31:0; B	ME716515	1.00	1.00
GlcCer d42:2;	ME716485	1.00	1.00
1_Cer d18:1/17:0; iSTD	ME716428	1.00	1.00
Cer d36:1;	ME716464	1.00	1.00
TAG 56:9; TAG 16:0-18:3-22:6;	ME716778	1.01	0.99
TAG 56:1; TAG 18:0-20:0-18:1;	ME716763	1.01	0.99
TAG 56:10;	ME716764	1.01	0.99
TAG 54:8;	ME716753	1.01	0.99
SM d42:4; SM d18:1/24:3;	ME716672	1.01	0.99
SM d42:2;	ME716670	1.01	0.99
SM d42:1; A	ME716668	1.01	0.99
SM d40:2; A	ME716658	1.01	0.99
PI 38:4;	ME716638	1.01	0.99
PE p-38:5/PE o-38:6;	ME716633	1.01	0.99
PE p-36:2/PE o-36:3;	ME716630	1.01	0.99
PC p-42:5/PC o-42:6; B	ME716621	1.01	0.99
PC p-38:5/PC o-38:6; A	ME716609	1.01	0.99
PC 42:10;	ME716589	1.01	0.99
PC 38:4; C	ME716565	1.01	0.99
PC 36:4; C	ME716548	1.01	0.99
PC 35:2; B	ME716538	1.01	0.99
PC 35:1;	ME716536	1.01	0.99
PC 34:4;	ME716534	1.01	0.99
PC 34:3; B	ME716532	1.01	0.99
PC 34:1; A	ME716527	1.01	0.99
PC 33:1; A	ME716522	1.01	0.99
PC 33:0;	ME716521	1.01	0.99
Cholesterol	ME716471	1.01	0.99
Cer d42:1;	ME716468	1.01	0.99
AC 8:1;	ME716451	1.01	0.99
1_Sphingosine d17:1; iSTD	ME716439	1.01	0.99
1_LPE 17:1; iSTD	ME716434	1.01	0.99
1_Cholesterol d7 iSTD	ME716429	1.01	0.99
1_CUDA iSTD	ME716430	1.01	0.99
TAG 58:8;	ME716792	1.02	0.98
TAG 56:8; B	ME716775	1.02	0.98
TAG 56:6;	ME716771	1.02	0.98
TAG 55:5; TAG 17:0-18:1-20:4;	ME716759	1.02	0.98
TAG 53:5; TAG 15:0-16:0-22:5;	ME716739	1.02	0.98
TAG 53:2;	ME716735	1.02	0.98
TAG 50:1;	ME716710	1.02	0.98
SM d38:0;	ME716651	1.02	0.98
SM d34:1;	ME716644	1.02	0.98
SM d32:1;	ME716640	1.02	0.98
PE p-36:1/PE o-36:2;	ME716629	1.02	0.98
PE 38:4;	ME716626	1.02	0.98
PE 34:2;	ME716623	1.02	0.98
PC p-38:4/PC o-38:5; A	ME716607	1.02	0.98
PC p-38:3/PC o-38:4; A	ME716605	1.02	0.98
PC p-32:0; or PC o-32:1;	ME716595	1.02	0.98
PC 40:8e;	ME716588	1.02	0.98
PC 40:7; A	ME716584	1.02	0.98
PC 40:5; A	ME716581	1.02	0.98
PC 39:6e;	ME716578	1.02	0.98
PC 38:7;	ME716573	1.02	0.98
PC 38:6; C	ME716572	1.02	0.98
PC 38:6; B	ME716571	1.02	0.98
PC 38:5; PC 18:1-20:4;	ME716569	1.02	0.98
PC 37:2;	ME716555	1.02	0.98
PC 36:3; B	ME716545	1.02	0.98
PC 36:3; A	ME716544	1.02	0.98
PC 34:2;	ME716530	1.02	0.98
PC 30:0;	ME716512	1.02	0.98
LPC 14:0;	ME716493	1.02	0.98
GlcCer d42:1;	ME716484	1.02	0.98
AC 16:0;	ME716447	1.02	0.98
AC 14:2;	ME716446	1.02	0.98
1_TG d5 17:0/17:1/17:0; iSTD	ME716440	1.02	0.98
1_SM d18:1/17:0; iSTD	ME716438	1.02	0.98
1_PE 17:0/17:0; iSTD	ME716437	1.02	0.98
1_PC 12:0/13:0; iSTD	ME716436	1.02	0.98
1_MG 17:0/0:0/0:0; iSTD	ME716435	1.02	0.98
1_LPC 17:0; iSTD	ME716433	1.02	0.98
1_DG 18:1/2:0/0:0; iSTD	ME716432	1.02	0.98
1_CE 22:1; iSTD	ME716427	1.02	0.98
1_DG 12:0/12:0/0:0; iSTD	ME716431	1.02	0.98
TAG 54:8; TAG 18:1-18:3-18:4;	ME716754	1.03	0.97
TAG 54:7; B	ME716751	1.03	0.97
TAG 50:5;	ME716714	1.03	0.97
TAG 49:2;	ME716707	1.03	0.97
SM d42:3;	ME716671	1.03	0.97
SM d36:1;	ME716647	1.03	0.97
SM d34:0;	ME716643	1.03	0.97
PI 34:1;	ME716636	1.03	0.97
PE p-36:4/PE o-36:5;	ME716631	1.03	0.97
PE p-34:1/PE o-34:2;	ME716628	1.03	0.97
PE 38:6;	ME716627	1.03	0.97
PC 42:7;	ME716593	1.03	0.97
PC 40:7; B	ME716585	1.03	0.97
PC 40:6; A	ME716582	1.03	0.97
PC 38:4e;	ME716566	1.03	0.97
PC 38:4; A	ME716563	1.03	0.97
PC 37:3;	ME716556	1.03	0.97
PC 36:5; D	ME716552	1.03	0.97
PC 36:5; C	ME716551	1.03	0.97
PC 36:4; B	ME716547	1.03	0.97
PC 34:3; A	ME716531	1.03	0.97
PC 34:1e;	ME716529	1.03	0.97
PC 34:0;	ME716525	1.03	0.97
PC 31:1;	ME716516	1.03	0.97
PC 16:0/9:0 CHO;	ME716510	1.03	0.97
DG 38:6;	ME716481	1.03	0.97
DG 36:2;	ME716476	1.03	0.97
DG 34:2;	ME716473	1.03	0.97
AC 18:2;	ME716450	1.03	0.97
Cer d42:2; A	ME716469	1.03	0.97
TAG 55:3;	ME716757	1.07	0.93
TAG 53:1;	ME716734	1.07	0.93
TAG 52:1e; TAG 18:1e-16:0-18:0;	ME716724	1.07	0.93
TAG 51:1;	ME716718	1.07	0.93
SM d36:0;	ME716646	1.07	0.93
PC 38:3;	ME716562	1.07	0.93
LPC 16:1;	ME716496	1.07	0.93
AC 10:0;	ME716441	1.07	0.93
AC 14:1;	ME716445	1.07	0.93
TAG 64:2;	ME716807	1.06	0.94
TAG 58:7; TAG 16:0-18:2-24:5;	ME716790	1.06	0.94
TAG 54:6; B	ME716748	1.06	0.94
TAG 54:3;	ME716743	1.06	0.94
TAG 54:0;	ME716740	1.06	0.94
SM d40:0;	ME716656	1.06	0.94
PI 36:1;	ME716637	1.06	0.94
PC 40:4;	ME716580	1.06	0.94
PC 39:4;	ME716575	1.06	0.94
PC 36:1;	ME716542	1.06	0.94
DG 38:5;	ME716480	1.06	0.94
PC 32:0;	ME716517	1.06	0.94
TAG 56:2; TAG 18:0-20:0-18:2;	ME716766	1.05	0.95
TAG 55:4; TAG 18:1-19:1-18:2;	ME716758	1.05	0.95
TAG 52:2; TAG 16:0-18:1-18:1;	ME716726	1.05	0.95
TAG 47:2; TAG 13:0-16:1-18:1;	ME716696	1.05	0.95
PC o-32:0;	ME716594	1.05	0.95
PC 38:5; B	ME716568	1.05	0.95
PC 38:2;	ME716561	1.05	0.95
PC 34:1; B	ME716528	1.05	0.95
PC 32:3;	ME716520	1.05	0.95
AC 10:1;	ME716442	1.05	0.95
AC 12:0;	ME716443	1.05	0.95
TAG 60:11;	ME716797	1.04	0.96
TAG 54:6; C	ME716749	1.04	0.96
TAG 51:2;	ME716719	1.04	0.96
TAG 50:4;	ME716713	1.04	0.96
TAG 49:1;	ME716706	1.04	0.96
TAG 48:4; B	ME716702	1.04	0.96
SM d34:2;	ME716645	1.04	0.96
PE 36:4;	ME716625	1.04	0.96
PC 40:6; B	ME716583	1.04	0.96
PC 38:4; B	ME716564	1.04	0.96
PC 36:5;	ME716549	1.04	0.96
PC 36:2;	ME716543	1.04	0.96
DG 34:3;	ME716474	1.04	0.96
PC 34:5;	ME716535	1.04	0.96

Factors:

F1	liver_cancer_outcome:Case
F2	liver_cancer_outcome:Control

Data matrix