Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Markers of Methotrexate Response, In Vitro (Study ST001211)

Reversed phase NEGATIVE ION MODE (Analysis AN002019)

Metabolite	Structure	F1	F2
PI 32:0; PI 16:0-16:0;	ME288638	1.82	0.18
PI 34:0; PI 16:0-18:0;	ME288640	1.72	0.28
PI 32:1; PI 16:0-16:1;	ME288639	1.62	0.38
PI 36:0; PI 18:0-18:0;	ME288643	1.67	0.33
PG 38:3; PG 18:1-20:2;	ME288633	0.41	1.59
FA (20:3) (homo-gamma-linolenic acid)	ME288490	0.37	1.63
FA (20:2) (eicosadienoic acid)	ME288488	0.32	1.68
FA (20:3) (eicosatrienoic acid)	ME288489	0.32	1.68
FA (22:2) (docosadienoic acid)	ME288494	0.35	1.65
PG 40:3; PG 18:1-22:2;	ME288636	0.34	1.66
FA (20:4) (arachidonic acid)	ME288491	0.16	1.84
FA (20:5) (eicosapentaenoic acid)	ME288492	0.23	1.77
FA (22:6) (docosahexaenoic acid)	ME288495	0.25	1.75
PE 32:2e; PE 16:1e/16:1;	ME288595	1.13	0.87
PE (34:2)	ME288571	1.13	0.87
PC (36:3) A	ME288534	1.11	0.90
PG 34:2; PG 16:1-18:1;	ME288628	1.10	0.90
PC (34:3)	ME288527	1.10	0.90
LPC (18:1)	ME288507	1.10	0.90
PC (34:2)	ME288526	1.10	0.90
LPC (20:3)	ME288511	1.06	0.94
PC (p-34:0) or PC (o-34:1)	ME288551	1.08	0.92
SM (d36:1)	ME288673	1.08	0.92
PC 32:1e; PC 16:0e/16:1;	ME288565	1.20	0.80
PC (32:1)	ME288520	1.22	0.78
PC (40:5) B	ME288548	1.21	0.79
PI 42:2; PI 18:0-24:2;	ME288665	1.18	0.82
PE (34:1)	ME288570	1.17	0.83
PI 36:2; PI 18:1-18:1;	ME288647	1.16	0.84
PI 34:1; PI 16:0-18:1;	ME288641	1.34	0.66
PC (34:0)	ME288524	1.33	0.67
SM (d18:1/17:0) iSTD	ME288468	1.33	0.67
LPC (18:0) B	ME288506	1.30	0.70
PS 34:1; PS 16:0-18:1;	ME288666	1.30	0.70
PC (40:6) B	ME288549	1.32	0.68
PG 32:1; PG 14:0-18:1;	ME288626	1.31	0.69
LPC (18:0) A	ME288505	1.25	0.75
PC 34:0e; PC 18:0e/16:0;	ME288566	1.24	0.76
PG 34:1; PG 16:0-18:1;	ME288627	1.27	0.73
PI 36:1; (PI 18:0-18:1) A;	ME288644	1.27	0.73
LPC (16:0)	ME288503	1.28	0.72
LPE 18:0;	ME288518	1.29	0.71
LPE (16:0)	ME288514	1.40	0.60
FA (26:0) (cerotic acid)	ME288496	1.39	0.61
PC 32:0e; PC 16:0e/16:0;	ME288564	1.39	0.61
LPC (16:1)	ME288504	1.36	0.64
PI 34:2; PI 16:1-18:1;	ME288642	1.36	0.64
PC (32:0)	ME288519	1.38	0.62
PC (35:2)	ME288530	1.37	0.63
PI 40:1; PI 18:0-22:1;	ME288659	1.42	0.58
PG 32:0;	ME288625	1.46	0.54
PI 38:1; PI 18:0-20:1;	ME288651	1.45	0.55
LPC (14:0)	ME288502	1.44	0.56
PC (32:2)	ME288521	1.44	0.56
PG 36:1; PG 18:0-18:1;	ME288629	1.01	0.99
PG (17:0/17:0) iSTD	ME288467	1.01	0.99
PE (p-34:1) or PE (o-34:2)	ME288581	1.01	0.99
PE 36:3e; PE 18:2e/18:1;	ME288598	1.01	0.99
PC (12:0/13:0) iSTD	ME288465	1.01	0.99
LPC (17:0) iSTD	ME288462	1.01	0.99
Ceramide (d18:1/17:0) iSTD	ME288459	1.01	0.99
FA (16:0)-d3 iSTD	ME288461	1.01	0.99
PC (p-38:5) or PC (o-38:6)	ME288561	1.00	1.00
PC 36:1e; PC 18:0e/18:1;	ME288567	1.00	1.00
CUDA iSTD	ME288460	1.00	1.00
MAG (17:0/0:0/0:0) iSTD	ME288464	1.00	1.00
PE (17:0/17:0) iSTD	ME288466	1.04	0.96
PC (33:1)	ME288522	1.04	0.96
PC (36:4) A	ME288536	1.04	0.96
PC (p-34:1) or PC (o-34:2) A	ME288552	1.02	0.98
LPC (20:1)	ME288509	1.02	0.98
LPE (17:1) iSTD	ME288463	1.02	0.98
PE 42:3e;	ME288624	1.03	0.97
PE 40:6; PE 18:0-22:6;	ME288622	1.03	0.97
PE 36:5; PE 16:0-20:5;	ME288600	1.03	0.97
PC (36:1)	ME288532	1.03	0.97
PC (p-36:3) or PC (o-36:4)	ME288557	1.03	0.97
PE 40:1; PE 22:0-18:1;	ME288613	0.99	1.01
PE (p-36:1) or PE (o-36:2)	ME288583	0.99	1.01
PG 38:6; PG 16:0-22:6;	ME288635	0.98	1.02
PC (34:4)	ME288528	0.98	1.02
PC (36:5) A	ME288538	0.98	1.02
SM d38:1; SM d14:1/24:0;	ME288681	0.97	1.03
PE (38:6)	ME288579	0.97	1.03
PE 38:4e; PE 18:0e/20:4;	ME288607	0.97	1.03
PE (36:2)	ME288573	0.97	1.03
PE (36:4)	ME288575	0.97	1.03
SM (d34:1)	ME288671	0.94	1.06
SM (d34:0)	ME288670	0.94	1.06
PI 36:2; PI 18:0-18:2;	ME288646	0.94	1.06
PE (36:1)	ME288572	0.94	1.06
GlcCer (d42:1)	ME288499	0.94	1.06
PC (p-36:1) or PC (o-36:2)	ME288555	0.94	1.06
SM (d38:2)	ME288676	0.93	1.07
PE 40:5; PE 18:0-22:5;	ME288620	0.93	1.07
PE (p-34:2) or PE (o-34:3)	ME288582	0.93	1.07
SM d41:1; SM d14:1/27:0;	ME288684	0.95	1.05
PI 36:4; PI 16:0-20:4;	ME288649	0.95	1.05
PE 36:4e; PE 16:1e/20:3;	ME288599	0.95	1.05
PE 35:2e;	ME288597	0.95	1.05
PC (34:1)	ME288525	0.95	1.05
Ceramide (d44:1)	ME288481	0.95	1.05
LPC (22:5)	ME288512	0.95	1.05
PI 36:1; (PI 18:0-18:1) B;	ME288645	0.96	1.04
GlcCer(d14:1(4E)/20:0(2OH))	ME288501	0.96	1.04
PE 34:1e; PE 18:1e/16:0;	ME288596	0.96	1.04
SM (d44:2)	ME288680	0.82	1.18
PE (p-40:6) or PE (o-40:7)	ME288593	0.82	1.18
PE (p-38:6) or PE (o-38:7)	ME288590	0.82	1.18
PE 40:5e; PE 18:1e/22:4;	ME288621	0.82	1.18
PE 38:2; PE 18:0-20:2;	ME288602	0.82	1.18
PC (p-40:3) or PC (o-40:4)	ME288562	0.82	1.18
Ceramide (d34:2)	ME288473	0.82	1.18
FA (22:1) (erucic acid)	ME288493	0.82	1.18
PI 38:3; PI 18:1-20:2;	ME288654	0.81	1.19
PG 38:4; PG 18:1-20:3;	ME288634	0.81	1.19
PC 38:4e; PC 18:0e/20:4;	ME288569	0.81	1.19
PE (38:4) A	ME288577	0.81	1.19
SM (d42:3)	ME288679	0.83	1.17
SM (d40:3)	ME288677	0.83	1.17
SM (d36:3)	ME288675	0.83	1.17
PE (p-38:4) or PE (o-38:5)	ME288588	0.83	1.17
Ceramide (d33:1)	ME288470	0.83	1.17
PC (38:5) A	ME288544	0.83	1.17
PE (40:6)	ME288580	0.84	1.16
SM d40:2; SM d14:2/26:0;	ME288683	0.84	1.16
PI 38:5; PI (18:1-20:4) A;	ME288657	0.78	1.22
PE 36:6e; PE 16:1e/20:5;	ME288601	0.78	1.22
PC (p-34:2) or PC (o-34:3)	ME288554	0.78	1.22
PC (36:5) B	ME288539	0.78	1.22
LPC (18:2)	ME288508	0.78	1.22
LPC (20:2)	ME288510	0.78	1.22
SM d42:1; SM d14:1/28:0;	ME288686	0.79	1.21
PC (38:6)	ME288546	0.79	1.21
PC (38:3)	ME288542	0.79	1.21
LPE (18:2)	ME288515	0.79	1.21
PC (35:4)	ME288531	0.79	1.21
SM d41:2; SM d14:2/27:0;	ME288685	0.81	1.21
PI 40:5; PI 18:0-22:5;	ME288663	0.80	1.20
PE (p-40:5) or PE (o-40:6)	ME288592	0.80	1.20
PE (p-36:4) or PE (o-36:5)	ME288585	0.80	1.20
PE 40:2; PE 18:0-22:2;	ME288614	0.80	1.20
PC (p-36:2) or PC (o-36:3)	ME288556	0.80	1.20
PC (p-40:4) or PC (o-40:5)	ME288563	0.80	1.20
SM (d34:2)	ME288672	0.92	1.08
PS 36:2; PS 18:1-18:1;	ME288668	0.92	1.08
PE (p-36:2) or PE (o-36:3)	ME288584	0.92	1.08
PI 36:3; PI 18:1-18:2;	ME288648	0.92	1.08
PE 40:4; PE 18:0-22:4;	ME288618	0.91	1.09
PE 38:2e; PE 16:1e/22:1;	ME288604	0.91	1.09
PC (38:2)	ME288541	0.91	1.09
Ceramide (d42:1)	ME288478	0.91	1.09
PC (36:2)	ME288533	0.91	1.09
SM d43:2; SM d14:2/29:0;	ME288688	0.90	1.10
SM (d36:2)	ME288674	0.90	1.10
PI 38:5; PI (18:1-20:4) B;	ME288658	0.90	1.10
PE (38:2)	ME288576	0.90	1.10
PE 38:3; PE 18:0-20:3;	ME288605	0.90	1.10
PI 40:2; PI 18:0-22:2;	ME288660	0.85	1.15
PE 38:2; PE 18:1-20:1;	ME288603	0.85	1.15
PE (38:4) B	ME288578	0.85	1.15
PE 38:3; PE 18:1-20:2;	ME288606	0.86	1.14
SM (d42:2) B	ME288678	0.86	1.14
SM d40:1; SM d14:1/26:0;	ME288682	0.89	1.11
PI 38:4; PI 18:1-20:3;	ME288656	0.89	1.11
PC (35:1)	ME288529	0.89	1.11
PE 40:2e; PE 18:1e/22:1;	ME288615	0.89	1.11
PS 36:1; PS 18:0-18:1;	ME288667	0.88	1.12
PI 40:6; PI 18:0-22:6;	ME288664	0.88	1.12
FA (14:0) (myristic acid)	ME288482	0.88	1.12
PC (p-34:1) or PC (o-34:2) B	ME288553	0.88	1.12
PE (p-38:3) or PE (o-38:4)	ME288587	0.87	1.13
PE 38:5; PE 18:0-20:5;	ME288608	0.87	1.13
PC (36:3) B	ME288535	0.87	1.13
PC (p-38:4) or PC (o-38:5) A	ME288559	0.87	1.13
PC (p-38:4) or PC (o-38:5) B	ME288560	0.55	1.45
PC (33:2)	ME288523	0.58	1.42
PG 38:2; PG 18:1-20:1;	ME288632	0.58	1.42
Ceramide (d38:1)	ME288475	0.56	1.44
PG 36:3; PG 18:1-18:2;	ME288631	0.57	1.43
FA (18:2) (linoleic acid)	ME288486	0.47	1.53
FA (16:1) (palmitoleic acid)	ME288484	0.50	1.50
FA (20:1) (eicosenoic acid)	ME288487	0.50	1.50
FA (18:1) (oleic acid)	ME288485	0.53	1.47
PG 40:7; PG 18:1-22:6;	ME288637	0.52	1.48
Ceramide (d34:0)	ME288471	0.67	1.33
LPE (22:6)	ME288517	0.66	1.34
PE 38:7e; PE 18:2e/20:5;	ME288612	0.64	1.36
Ceramide (d36:1)	ME288474	0.65	1.35
LPE (20:4)	ME288516	0.65	1.35
LPC 20:4;	ME288513	0.60	1.40
Ceramide (d40:1)	ME288476	0.63	1.37
Ceramide (d32:1)	ME288469	0.62	1.38
PI 37:2; PI 18:0-19:2;	ME288650	0.62	1.38
FA (14:1) (physeteric acid)	ME288483	0.68	1.32
PI 40:3; PI 18:1-22:2;	ME288661	0.69	1.31
PI 38:2; PI 18:0-20:2;	ME288652	0.69	1.31
GlcCer (d42:2)	ME288500	0.69	1.31
PE 40:4e; PE 18:2e/22:2;	ME288619	0.69	1.31
PE 40:7e; PE 18:2e/22:5;	ME288623	0.71	1.29
PC (p-36:4) or PC (o-36:5)	ME288558	0.71	1.29
Ceramide (d42:2) A	ME288479	0.71	1.29
PC (40:7)	ME288550	0.71	1.29
PE (p-40:7) or PE (o-40:8)	ME288594	0.70	1.30
PE 40:3; PE 18:1-22:2;	ME288616	0.70	1.30
PE 38:5e; PE 16:1e/22:4;	ME288611	0.70	1.30
PE (36:3)	ME288574	0.70	1.30
GlcCer (d40:1)	ME288497	0.70	1.30
PC (36:4) B	ME288537	0.70	1.30
Ceramide (d42:2) B	ME288480	0.76	1.24
PS 38:4; PS 18:0-20:4;	ME288669	0.76	1.24
PC (38:5) B	ME288545	0.75	1.25
PE 40:3e; PE 18:1e/22:2;	ME288617	0.75	1.25
PI 38:3; PI 18:0-20:3;	ME288653	0.72	1.28
PE 38:5; PE 18:1-20:4;	ME288609	0.72	1.28
Ceramide (d34:1)	ME288472	0.72	1.28
Ceramide (d42:0)	ME288477	0.72	1.28
SM d43:1; SM d14:1/29:0;	ME288687	0.73	1.27
PI 40:4; PI 18:0-22:4;	ME288662	0.73	1.27
PI 38:4; PI 18:0-20:4;	ME288655	0.73	1.27
PE (p-38:5) or PE (o-38:6)	ME288589	0.73	1.27
GlcCer (d41:1)	ME288498	0.73	1.27
PC 38:2e; PC 16:0e/22:2;	ME288568	0.73	1.27
PG 36:2; PG 18:1-18:1;	ME288630	0.74	1.26
PE (p-40:4) or PE (o-40:5)	ME288591	0.74	1.26
PE (p-38:2) or PE (o-38:3)	ME288586	0.74	1.26
PE 38:5e; PE 16:0e/22:5;	ME288610	0.74	1.26
PC (40:5) A	ME288547	0.74	1.26
PC (37:4)	ME288540	0.74	1.26
PC (38:4) A	ME288543	0.74	1.26

Factors:

F1	Group:Control
F2	Group:Methotrexate

Data matrix