Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002586)

(Analysis AN004258)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
Typtophan 3TBDMS 489 531 244	ME621842	0.09	0.77	0.28	0.62	0.36	12.21	0.75	0.37	1.03	0.40
Glucose 2 M	ME621501	0.23	0.23	0.04	1.47	0.11	12.26	0.20	0.63	0.98	0.21
Glucose 3 M+0	ME621508	0.23	0.23	0.04	1.47	0.11	12.25	0.20	0.63	0.98	0.21
Glucose 2 M+2	ME621503	0.24	0.19	0.04	1.46	0.05	11.78	0.16	0.57	1.00	0.20
Glucose 3 M+2	ME621510	0.24	0.19	0.03	1.46	0.05	11.79	0.16	0.57	1.00	0.20
Glucose 2 M+1	ME621502	0.23	0.21	0.03	1.46	0.11	11.75	0.15	0.59	0.90	0.20
Glucose 3 M+1	ME621509	0.23	0.21	0.03	1.47	0.11	11.76	0.15	0.59	0.90	0.20
Cytosine M+4 2TBDMS	ME621479	0.19	1.14	0.50	0.86	0.39	8.52	0.95	0.64	1.37	0.53
Glucose 2 M+3	ME621504	0.16	0.21	NA	1.99	NA	9.29	0.09	0.42	0.84	0.10
Glucose 3 M+3	ME621511	0.17	0.22	NA	1.41	NA	9.82	0.09	0.45	0.89	0.10
Threonine M+2	ME621826	0.03	1.48	0.52	1.18	0.44	10.87	0.60	0.37	1.06	0.39
Threonine (404,376)	ME621824	0.03	1.51	0.52	1.20	0.46	10.65	0.60	0.36	1.10	0.43
Threonine M+1	ME621825	0.03	1.51	0.50	1.18	0.49	10.73	0.60	0.37	1.10	0.43
Threonine M+3	ME621827	0.03	1.37	0.48	1.14	0.45	9.63	0.57	0.34	0.98	0.36
Threonine M+4	ME621828	NA	1.36	0.39	0.91	0.50	9.73	0.42	0.23	0.64	0.24
Palmitic M+15	ME621748	0.03	0.79	0.51	0.70	0.47	0.44	0.13	2.25	8.43	0.40
Alanine m+3	ME621420	4.88	3.79	0.12	0.02	0.01	0.00	0.24	0.02	0.01	0.01
Alanine m+2	ME621419	5.22	3.92	0.01	0.01	0.01	0.00	0.01	0.01	0.01	0.01
Alanine (260,232)	ME621417	5.19	4.03	0.01	0.01	0.01	0.00	0.01	0.01	0.01	0.01
Alanine m+1	ME621418	5.18	4.09	0.01	0.01	0.01	0.00	0.01	0.01	0.01	0.01
Pyroglutamic M+5	ME621786	0.17	0.00	0.01	3.87	0.01	0.01	0.01	2.18	0.00	0.00
Pyroglutamic M+6	ME621787	0.17	0.00	0.02	3.88	0.01	0.01	0.01	2.16	0.00	0.00
AsparticM+4	ME621441	0.04	0.01	0.13	4.17	0.07	0.08	0.11	1.72	0.07	0.07
Aspartic M+5	ME621440	0.05	0.00	0.10	4.24	0.04	0.05	0.08	1.74	0.04	0.04
Fumaric M+4	ME621495	0.15	0.01	0.06	3.22	0.03	0.01	0.07	2.72	0.04	0.03
Malic m+4	ME621621	0.05	0.00	0.10	2.75	0.09	0.03	0.11	3.18	0.09	0.05
Adenine M+1	ME621406	0.05	0.07	0.04	5.59	0.03	0.05	0.06	0.44	0.06	0.05
Pyroglutamic M+4	ME621785	0.04	0.18	0.29	6.36	0.53	0.23	0.43	1.37	0.55	0.25
Creatinine (284,341)	ME621461	NA	NA	1.00	0.51	4.18	0.22	NA	0.08	NA	NA
Glycerol M+0	ME621534	1.38	2.23	0.39	0.81	0.50	4.97	0.55	0.57	1.04	0.23
Hydroxyproline M+1	ME621559	0.12	1.91	0.70	1.56	0.64	6.59	0.56	0.58	1.08	0.73
Hydroxyproline (416,388)	ME621558	0.14	1.93	0.72	1.55	0.63	6.28	0.58	0.61	1.04	0.74
Hydroxyproline M+2	ME621560	0.06	1.93	0.76	1.65	0.57	6.27	0.57	0.57	1.04	0.79
Propylene glycol M+3	ME621780	0.41	1.03	0.36	1.01	0.04	4.73	0.83	1.54	1.38	0.56
Propylene glycol M+2	ME621779	0.43	1.05	0.29	1.06	0.04	4.92	0.87	1.61	1.38	0.55
Propylene glycol 2TBDMS 247,189 ?	ME621777	0.44	1.05	0.28	1.06	0.04	4.98	0.86	1.60	1.38	0.57
Propylene glycol M+1	ME621778	0.44	1.02	0.28	1.07	0.04	4.97	0.86	1.61	1.35	0.57
Oleic Acid M2	ME621668	0.57	0.66	0.85	0.62	0.55	6.32	1.13	0.68	1.35	0.74
Oleic M+0 2	ME621685	0.51	0.75	0.68	0.84	0.55	5.72	1.18	0.68	1.66	0.79
Oleic Acid M0	ME621666	0.56	0.75	0.67	0.73	0.52	6.02	1.16	0.70	1.64	0.81
Oleic Acid M1	ME621667	0.58	0.69	0.69	0.71	0.61	5.97	1.13	0.69	1.66	0.85
Methionine M+5	ME621627	NA	0.30	0.86	0.53	2.64	3.71	NA	0.14	NA	0.19
Methionine M+4	ME621626	0.05	0.86	1.60	0.78	3.24	5.54	0.31	0.17	0.47	0.38
Methionine M+3	ME621625	0.06	1.05	1.70	0.94	3.53	5.72	0.43	0.25	0.64	0.51
Methionine M+1	ME621623	0.07	1.02	1.76	0.93	3.35	5.69	0.41	0.26	0.66	0.55
Methionine (320,292)	ME621622	0.07	1.05	1.78	0.92	3.32	5.75	0.40	0.26	0.62	0.53
Methionine M+2	ME621624	0.07	1.02	1.78	0.92	3.29	5.79	0.41	0.26	0.60	0.56
Valine M+4	ME621871	0.44	0.80	1.08	1.26	2.44	5.12	0.39	0.47	1.56	0.51
Valine M+2	ME621869	0.38	1.04	1.18	1.31	2.34	4.70	0.42	0.53	1.21	0.46
Valine M+3	ME621870	0.44	1.02	1.15	1.26	2.40	4.75	0.38	0.54	1.33	0.45
Phenylalanine M+4	ME621754	0.36	1.55	1.26	1.26	2.18	3.67	0.49	0.33	0.68	0.23
Isoleucine M+5	ME621586	0.26	1.04	1.20	1.41	2.13	3.64	0.23	0.18	0.36	0.15
Leucine M+5	ME621598	NA	0.95	1.07	1.58	2.04	3.63	0.17	0.26	0.35	0.14
Niacinamide M+3	ME621662	0.16	0.97	1.39	1.44	2.69	3.46	0.46	0.41	0.63	0.45
Cytosine M+0 1TBDMS	ME621470	0.23	1.21	1.27	1.81	2.23	3.59	0.33	0.61	0.57	0.36
Cytosine M+1 1TBDMS	ME621472	0.18	1.22	1.36	1.91	2.19	3.37	0.38	0.46	0.72	0.33
Leucine M+4	ME621597	0.15	1.12	1.42	1.88	2.87	4.17	0.28	0.29	0.44	0.32
Leucine M+3	ME621596	0.15	1.18	1.38	1.88	2.94	4.28	0.25	0.31	0.43	0.33
Leucine M+1	ME621594	0.13	1.13	1.38	1.91	2.93	4.29	0.25	0.30	0.45	0.33
Leucine (302,274)	ME621593	0.14	1.14	1.37	1.91	2.90	4.24	0.25	0.31	0.46	0.34
Leucine M+2	ME621595	0.14	1.13	1.37	1.92	2.90	4.27	0.25	0.30	0.45	0.34
Isoleucine M+4	ME621585	0.12	1.22	1.35	1.76	3.07	4.62	0.25	0.32	0.55	0.33
Isoleucine (302,274)	ME621581	0.13	1.19	1.39	1.75	2.97	4.47	0.28	0.33	0.52	0.34
Isoleucine M+2	ME621583	0.13	1.20	1.38	1.75	3.04	4.49	0.27	0.33	0.50	0.33
Isoleucine M+1	ME621582	0.13	1.19	1.38	1.74	3.06	4.53	0.27	0.33	0.51	0.34
Isoleucine M+3	ME621584	0.13	1.20	1.36	1.74	3.06	4.55	0.28	0.33	0.49	0.33
Cytosine M+4 1TBDMS	ME621478	0.21	1.20	1.35	1.81	2.60	3.60	0.36	0.42	0.57	0.42
Niacinamide M+5	ME621664	0.18	1.22	1.38	1.68	2.76	4.07	0.34	0.41	0.57	0.43
Niacinamide M+6	ME621665	0.17	1.19	1.37	1.67	2.78	4.05	0.34	0.42	0.61	0.43
Cytosine M+2 1TBDMS	ME621474	0.18	1.13	1.36	1.84	2.76	3.93	0.31	0.38	0.52	0.41
Cytosine M+3 1TBDMS	ME621476	0.19	1.15	1.39	1.82	2.71	3.87	0.31	0.37	0.56	0.40
Tyrosine M+3	ME621846	0.08	1.24	1.41	1.48	2.59	4.75	0.40	0.45	0.69	0.48
Tyrosine M+4	ME621847	0.05	1.09	1.45	1.41	2.71	5.06	0.38	0.48	0.57	0.49
Tyrosine M+1	ME621844	0.08	1.23	1.40	1.44	2.66	5.01	0.39	0.43	0.62	0.47
Tyrosine (466,302)	ME621843	0.08	1.20	1.42	1.45	2.69	4.89	0.40	0.43	0.62	0.47
Tyrosine M+2	ME621845	0.08	1.21	1.42	1.45	2.69	4.91	0.41	0.42	0.61	0.48
Valine (288)	ME621867	0.24	1.04	1.40	1.42	2.36	4.18	0.48	0.51	0.68	0.54
Valine M+1	ME621868	0.24	1.04	1.40	1.40	2.38	4.18	0.49	0.53	0.68	0.51
Phenylalanine M+3	ME621753	0.15	1.29	1.43	1.40	2.59	4.47	0.47	0.44	0.58	0.57
Phenylalanine M+1	ME621751	0.17	1.30	1.43	1.34	2.41	4.51	0.48	0.48	0.65	0.54
Phenylalanine (336,308)	ME621750	0.17	1.28	1.41	1.32	2.50	4.56	0.47	0.48	0.68	0.57
Phenylalanine M+2	ME621752	0.18	1.30	1.41	1.34	2.58	4.56	0.46	0.44	0.70	0.54
Serine (390,362)	ME621792	0.02	2.79	1.74	1.36	1.45	2.77	0.59	0.38	0.84	0.81
Serine m+1	ME621793	0.02	2.82	1.75	1.35	1.44	2.78	0.59	0.38	0.83	0.81
Serine m+2	ME621794	0.02	2.80	1.75	1.35	1.45	2.78	0.59	0.38	0.82	0.80
Serine m+3	ME621795	0.02	2.63	1.84	1.28	1.40	2.57	0.72	0.36	0.76	0.74
Serine M+4	ME621796	0.01	2.61	1.85	1.27	1.37	2.43	0.73	0.40	0.82	0.75
Asparagine M+4	ME621432	0.04	2.15	1.28	2.30	1.18	1.08	0.31	0.45	0.41	0.76
Palmitic M+12	ME621745	NA	2.48	1.16	1.78	1.33	1.13	0.34	0.38	0.37	1.01
Palmitic M+2	ME621735	0.12	2.47	1.47	1.94	1.34	1.56	0.39	0.52	0.65	1.17
Palmitic M+5	ME621738	0.02	2.59	1.41	2.00	1.28	1.23	0.32	0.58	0.45	1.12
Palmitic M+13	ME621746	0.05	2.71	1.53	2.11	1.40	1.18	0.33	0.50	0.51	1.15
Asparagine M+3	ME621431	0.08	2.52	1.51	2.05	1.38	1.26	0.38	0.53	0.56	1.11
Palmitic M+14	ME621747	0.10	2.47	1.56	2.01	1.40	1.27	0.36	0.52	0.55	1.10
Palmitic M+3	ME621736	0.08	2.66	1.43	2.03	1.40	1.36	0.38	0.54	0.61	1.14
Palmitic M+4	ME621737	0.06	2.65	1.58	2.04	1.44	1.31	0.36	0.45	0.56	1.13
Asparagine M+2	ME621430	0.06	2.60	1.52	2.03	1.43	1.26	0.35	0.54	0.58	1.11
Asparagine (417,302)	ME621428	0.05	2.66	1.53	2.01	1.40	1.29	0.35	0.54	0.58	1.15
Asparagine M+1	ME621429	0.05	2.69	1.52	2.01	1.38	1.31	0.36	0.53	0.56	1.14
Glycolic M+2	ME621543	0.72	0.21	1.94	0.74	0.67	1.64	1.37	0.67	0.25	0.52
Urea (M+3)	ME621861	1.00	1.16	2.27	0.62	0.94	2.67	0.67	0.53	0.74	0.42
Niacinamide M+4	ME621663	0.72	0.94	1.09	1.24	2.24	2.70	0.26	1.19	0.44	0.37
Proline M+2	ME621772	0.17	0.87	1.26	1.29	1.99	2.87	0.73	0.73	1.20	1.33
Proline (286,258)	ME621770	0.16	0.91	1.23	1.29	2.08	2.89	0.71	0.74	1.24	1.33
Proline M+1	ME621771	0.18	0.91	1.24	1.27	2.12	2.86	0.71	0.73	1.24	1.32
Phenylalanine M+5	ME621755	0.55	NA	1.21	1.17	1.77	2.67	0.75	0.55	0.61	1.05
Proline M+3	ME621773	0.48	0.75	1.00	1.65	1.71	2.38	0.63	0.81	0.76	1.09
Proline M+4	ME621774	0.43	0.37	0.98	1.92	2.13	1.99	0.63	0.83	0.51	0.86
Taurine	ME621821	0.25	0.14	0.68	1.56	1.03	3.11	0.82	1.11	1.59	1.43
Histidine M+7	ME621551	1.10	0.19	0.08	1.74	1.26	3.39	0.04	1.64	1.10	0.68
Histidine M+8	ME621552	1.08	0.17	0.09	1.74	1.24	3.42	0.04	1.65	1.08	0.66
Histidine M+5	ME621549	0.86	0.19	0.29	1.57	1.18	2.98	0.16	1.42	1.14	0.74
Histidine M+6	ME621550	0.85	0.09	0.53	1.39	1.08	2.91	0.39	1.56	1.37	0.64
Glycolic M+1	ME621542	1.15	0.77	0.53	1.18	1.33	3.80	0.44	1.17	0.50	0.70
Tyrosine M+5	ME621848	0.19	0.85	0.91	1.30	1.51	4.41	0.58	0.81	0.81	0.65
Histidine M+3	ME621547	0.53	0.75	0.97	1.44	1.38	3.33	0.45	0.85	1.25	0.87
Histidine (440,338)	ME621544	0.35	1.23	0.98	1.81	1.12	3.54	0.48	0.75	0.82	0.81
Histidine M+1	ME621545	0.40	1.21	0.91	1.76	1.13	3.65	0.45	0.79	0.92	0.83
Histidine M+2	ME621546	0.38	1.29	0.89	1.87	1.11	3.61	0.40	0.79	0.85	0.84
Niacinamide M+2	ME621661	0.45	1.15	0.74	1.38	0.37	3.76	0.69	1.16	1.02	0.74
Oleic M+1 -2	ME621686	0.43	1.30	0.97	1.50	0.62	3.74	0.82	0.66	0.92	0.85
Oleic M+2 2	ME621687	0.40	1.47	0.99	1.52	0.61	3.68	0.81	0.66	0.93	0.85
Lysine M+2	ME621610	0.33	1.42	1.10	1.32	NA	2.28	0.65	0.56	0.91	0.86
Lysine (431,488)	ME621608	0.47	1.70	1.15	1.41	0.79	2.13	0.74	0.82	0.86	1.20
Lysine M+1	ME621609	0.41	1.93	1.12	1.39	0.93	2.18	0.67	0.97	0.77	0.95
Oleic M+3 2	ME621688	0.45	1.50	1.09	1.49	0.70	2.91	0.82	0.70	0.79	0.89
Palmitic M+0	ME621733	0.46	1.26	0.94	1.51	1.00	2.84	0.74	0.72	1.20	1.23
Palmitic M+1	ME621734	0.43	1.49	1.04	1.37	1.10	2.86	0.75	0.68	1.22	1.23
Oleic Acid M3	ME621669	0.69	0.71	0.74	0.94	0.96	3.73	1.18	0.70	1.71	0.91
Linoelaidic M0 337,129,379	ME621601	0.75	0.74	0.98	0.86	0.83	3.33	1.03	0.87	1.35	0.82
Linoelaidic M1	ME621602	0.86	0.72	0.94	0.75	0.60	3.43	1.16	0.82	1.22	0.93
Niacinamide (179, 136, 221)	ME621659	0.95	1.17	0.81	1.15	0.85	2.06	0.66	1.22	0.81	0.95
Niacinamide M+1	ME621660	1.02	1.37	0.57	1.32	0.48	2.25	0.57	1.33	0.87	0.81
Histidine M+4	ME621548	0.55	0.52	0.93	1.50	1.14	2.72	0.43	1.25	1.24	0.74
Taurine M+1	ME621822	0.75	0.57	0.68	1.40	1.14	2.38	0.80	1.02	1.30	1.03
Taurine M+2	ME621823	0.59	0.43	0.66	1.43	1.15	2.68	0.82	1.05	1.39	1.16
Glycolic Acid (247,189) ?	ME621541	1.15	0.77	0.59	1.26	0.98	3.03	0.52	1.15	0.74	0.77
b-alanine M+4	ME621446	0.95	0.95	0.86	1.15	0.77	2.80	1.05	0.71	0.90	0.72
Stearic M+2	ME621799	0.92	0.81	0.68	1.19	0.79	2.84	0.99	0.90	1.07	0.81
Stearic M+0 341,129,383	ME621797	0.89	0.83	0.69	1.15	0.78	2.85	0.98	0.94	1.09	0.87
Stearic M+1	ME621798	0.92	0.81	0.70	1.15	0.79	2.86	0.95	0.91	1.08	0.87
Lactic M+3	ME621592	0.10	0.03	2.30	0.06	0.08	0.09	3.54	0.14	0.13	0.07
Pyruvic M+3	ME621791	0.02	NA	2.85	0.04	0.03	0.02	2.73	0.03	0.02	NA
DHAP 1/2 M+3	ME621483	0.30	0.09	3.16	0.08	0.18	0.29	2.43	0.09	0.18	0.04
DHAP 2/2 M+3	ME621487	0.26	0.09	3.11	0.07	0.18	0.30	2.53	0.08	0.20	0.04
2P-Glycerol M+3	ME621382	0.77	1.02	2.76	0.18	0.28	0.20	1.73	0.28	0.33	0.28
3P-glycerol M+3	ME621400	0.74	0.99	2.43	0.16	0.25	0.41	2.04	0.30	0.33	0.37
Valine M+5	ME621872	0.02	0.02	1.95	0.07	0.07	0.26	2.15	0.02	0.04	NA
Phosphoenolpyruvic m+3	ME621764	0.17	NA	2.07	0.14	NA	0.12	0.78	NA	NA	NA
3-phosphoglycerate M+3	ME621404	0.44	0.08	2.76	0.09	NA	NA	1.33	0.20	NA	0.19
Glyceraldehyde-3P M+3	ME621533	0.17	NA	2.37	0.38	0.27	0.12	1.59	0.06	0.12	NA
3-phosphoglycerate (585,383)	ME621401	1.95	0.99	NA	0.78	0.53	0.31	0.04	0.88	0.46	1.20
3-phosphoglycerate M+1	ME621402	2.05	1.11	0.07	0.74	0.43	0.26	NA	0.94	0.46	0.76
3-phosphoglycerate M+2	ME621403	1.93	0.97	NA	0.68	0.55	0.22	NA	0.88	0.41	0.90
Phosphoenolpyruvic m+2	ME621763	1.30	0.37	NA	1.38	1.10	0.35	NA	0.76	0.21	NA
Phosphoenolpyruvic (453,495)	ME621761	1.55	0.70	NA	1.28	1.11	0.35	NA	0.63	0.45	0.56
Phosphoenolpyruvic m+1	ME621762	1.53	0.20	NA	1.47	0.97	0.28	NA	0.67	0.34	0.51
Palmitic M+6	ME621739	0.07	0.62	0.39	4.34	0.39	0.29	0.12	0.91	0.11	0.23
Palmitic M+7	ME621740	NA	0.78	0.42	3.16	0.32	0.19	0.12	0.90	0.17	0.30
N-acetylAspartic (3TBDMS) M+6	ME621658	0.66	NA	0.45	2.68	0.09	0.16	0.29	1.30	0.37	0.60
Proline M+5	ME621775	0.67	NA	0.03	2.72	0.01	0.03	NA	1.11	0.38	0.48
Palmitic M+9	ME621742	NA	NA	0.81	2.28	0.48	0.68	0.59	0.50	0.58	0.30
Asparagine M+6	ME621434	NA	0.37	0.86	1.67	NA	0.46	NA	0.54	NA	NA
Palmitic M+8	ME621741	NA	0.39	1.00	2.38	0.32	NA	0.33	0.45	NA	NA
Palmitic M+10	ME621743	NA	0.75	0.85	1.85	1.12	0.41	0.55	0.76	0.75	1.03
Succinic +2	ME621818	0.19	0.13	0.76	2.41	0.54	0.82	0.78	1.43	0.55	0.71
Aspartic M+3	ME621439	0.04	0.06	1.16	1.97	0.78	0.95	0.98	1.22	0.89	0.85
Pyroglutamic M+3	ME621784	0.24	0.38	1.11	1.72	0.94	0.81	0.91	1.37	0.82	0.68
n-acetyl aspartic acid M+4	ME621649	1.14	0.04	0.52	1.82	1.09	0.27	0.47	1.68	0.70	0.36
Succinic +3	ME621819	0.73	NA	0.74	1.82	0.56	0.36	0.68	1.59	0.39	0.45
N-acetylAspartic (3TBDMS) M+4	ME621656	0.67	0.09	0.69	1.91	0.52	0.52	0.75	1.47	1.24	0.66
N-acetylAspartic (3TBDMS) M+5	ME621657	0.75	NA	0.77	1.99	0.36	0.29	0.59	1.34	0.96	0.41
GABA M+4	ME621500	0.62	NA	0.84	1.19	1.49	0.58	0.89	1.61	0.79	0.35
Fumaric M+3	ME621494	0.14	0.07	0.93	1.70	0.68	0.56	1.03	1.82	0.72	0.44
Malic m+3	ME621620	0.04	0.04	0.82	1.32	0.97	0.42	0.99	2.31	1.00	0.63
aketoglutarate m+3	ME621414	0.80	NA	0.37	1.38	0.26	0.04	0.94	2.26	0.48	0.25
aketoglutarate m+4	ME621415	0.44	NA	0.57	1.41	0.12	0.31	0.70	2.26	0.13	NA
Citric m+5 (464,436)	ME621459	0.15	0.00	0.40	2.09	0.04	0.01	0.77	2.80	0.06	0.04
Citric m+6 (465, 437)	ME621460	0.13	NA	0.29	2.36	0.02	0.01	0.52	2.68	0.04	0.02
Cis-aconitic M+4	ME621451	0.29	NA	0.49	1.93	NA	0.05	1.01	1.75	NA	0.04
Citric m+4 (463,435)	ME621458	0.16	0.01	0.60	2.04	0.09	0.04	1.02	2.34	0.14	0.11
Adenine M+5	ME621410	0.52	NA	NA	1.73	NA	0.49	NA	1.95	0.55	NA
Cis-Aconitic M+5	ME621453	0.28	NA	0.36	1.61	NA	NA	0.57	1.33	NA	NA
aketoglutarate m+5	ME621416	0.33	NA	0.01	1.37	NA	NA	0.01	1.79	NA	NA
n-acetyl aspartic acid M+5	ME621650	0.84	NA	0.16	1.32	0.31	NA	NA	1.24	NA	NA
Cysteine M+4	ME621469	0.47	1.31	1.27	2.58	1.32	0.66	0.32	0.47	0.58	0.17
Cysteine M+3	ME621468	0.51	1.34	1.27	2.66	1.35	0.72	0.40	0.37	0.53	0.22
Cysteine (406,378)	ME621465	0.47	1.38	1.30	2.66	1.51	0.70	0.36	0.37	0.56	0.19
Cysteine M+1	ME621466	0.48	1.39	1.31	2.60	1.50	0.73	0.38	0.38	0.59	0.21
Cysteine M+2	ME621467	0.47	1.40	1.31	2.63	1.45	0.72	0.37	0.39	0.58	0.20
Asparagine M+5	ME621433	NA	1.34	0.92	2.04	0.66	0.90	NA	0.30	0.27	0.82
Palmitic M+11	ME621744	NA	0.79	0.98	1.49	NA	1.29	0.54	0.41	0.88	0.83
Adenine M+3	ME621408	1.51	NA	0.51	2.90	NA	1.08	0.30	0.49	0.50	NA
Glyceraldehyde-3P M+1	ME621531	1.15	0.32	0.14	2.90	1.88	1.40	0.03	0.59	0.89	0.44
Glyceraldehyde-3P (484,457,425)	ME621530	0.84	0.26	NA	2.10	1.14	0.92	NA	0.42	0.88	0.32
Glyceraldehyde-3P M+2	ME621532	0.95	0.21	0.17	2.34	1.53	1.07	NA	0.39	0.82	0.29
Citric (459,431)	ME621454	0.13	0.19	0.26	0.62	1.97	0.99	0.55	2.50	3.21	2.37
Citric m+1 (460,432)	ME621455	0.15	0.19	0.28	0.66	1.90	0.92	0.57	2.49	3.13	2.25
Cis-aconitic (459,327)	ME621447	0.31	0.45	0.31	0.71	1.95	2.00	0.69	1.94	2.73	2.04
Cis-aconitic M +1	ME621448	0.39	0.42	0.34	0.74	2.16	1.85	0.62	1.97	2.45	1.84
Lactic M+2	ME621591	1.62	0.49	0.15	0.80	1.27	1.48	0.17	1.90	2.06	1.12
Lactic (261,233)	ME621589	1.67	0.51	0.07	0.82	1.33	1.53	0.07	1.97	2.12	1.17
Lactic M+1	ME621590	1.67	0.50	0.07	0.82	1.32	1.52	0.08	1.96	2.11	1.17
Pyruvic M+2	ME621790	1.18	0.23	0.46	1.28	2.05	0.99	0.53	1.33	2.10	0.47
Pyruvic (174,115)	ME621788	1.28	0.23	0.19	1.51	2.51	0.96	0.20	1.41	2.42	0.53
Pyruvic M+1	ME621789	1.24	0.22	0.20	1.52	2.51	1.06	0.19	1.43	2.40	0.46
Phenylalanine M+8	ME621758	0.21	0.64	1.55	0.83	1.29	1.33	0.30	NA	1.44	NA
Uric acid M+1	ME621863	0.87	NA	1.78	0.84	1.68	0.34	0.64	0.86	1.11	0.77
Uric Acid M+2	ME621864	0.44	NA	2.24	0.34	1.54	NA	NA	0.74	0.70	NA
aketoglutarate m+2	ME621413	0.28	0.22	1.01	0.45	0.81	0.19	1.97	1.60	1.74	0.83
Cis-aconitic M+3	ME621450	0.09	NA	1.18	0.74	0.22	0.66	2.22	0.93	0.48	0.18
Citric m+3 (462,434)	ME621457	0.10	0.04	1.23	0.74	0.46	0.23	2.29	1.37	0.78	0.58
Cis-aconitic M+2	ME621449	0.14	0.21	1.46	0.44	0.52	0.65	2.50	0.94	1.11	0.61
Citric m+2 (461,433)	ME621456	0.08	0.07	1.28	0.48	0.69	0.32	2.42	1.23	1.11	0.81
Myristic M+0 (285,129,327)	ME621629	0.66	0.77	0.81	0.73	0.81	2.20	1.28	0.99	2.18	1.13
Myristic M+1	ME621630	0.61	0.84	0.90	0.69	0.67	2.26	1.34	0.94	2.18	1.12
Pyroglutamic M+2	ME621783	0.09	0.71	1.79	0.42	1.79	1.57	1.49	0.73	1.57	1.31
Pyroglutamic (300,272)	ME621781	0.09	0.92	1.48	0.38	2.26	1.99	1.26	0.82	2.01	1.68
Pyroglutamic M+1	ME621782	0.10	0.89	1.49	0.40	2.25	1.98	1.25	0.82	2.01	1.67
Creatinine M+3	ME621464	0.88	1.14	1.60	0.95	2.05	1.52	0.53	0.71	0.75	0.88
Myristic-D27 ISTD	ME621644	1.27	0.95	0.94	0.87	1.02	1.45	0.87	0.96	1.09	0.90
Urea (M+1)	ME621859	0.79	0.84	1.34	0.89	1.38	1.79	0.80	0.87	1.32	0.90
Urea (231, 273)	ME621858	0.80	0.90	1.34	0.88	1.22	1.37	0.95	0.87	1.29	0.84
Urea (M+2)	ME621860	0.73	0.86	1.40	0.79	1.47	1.38	0.96	0.89	1.33	0.90
Oleic M+5 2	ME621690	1.03	0.82	0.26	1.63	0.95	0.64	0.26	1.45	0.53	1.30
Uracil M+4	ME621853	1.53	0.81	0.64	1.13	0.75	NA	0.77	0.90	1.07	1.03
Uracil M+3	ME621852	1.48	1.31	0.71	0.95	0.63	0.91	0.72	1.25	0.73	0.93
Uracil M+1	ME621850	1.27	1.27	0.78	1.03	0.63	0.94	0.83	1.09	0.92	1.21
Uracil M+0	ME621849	1.30	1.40	0.78	1.01	0.62	0.93	0.81	1.08	0.91	1.20
Uracil M+2	ME621851	1.30	1.34	0.78	1.03	0.61	0.97	0.83	1.06	0.89	1.22
Cytosine M+0 2TBDMS	ME621471	0.94	1.21	0.78	0.97	0.78	0.94	0.80	1.47	0.92	1.30
Cytosine M+1 2TBDMS	ME621473	0.84	1.06	0.72	0.90	0.90	1.15	0.83	1.48	0.98	1.82
n-acetyl aspartic acid M+3	ME621648	0.31	0.17	1.14	0.74	2.51	0.71	0.99	1.66	1.34	0.91
n-acetyl aspartic acid M+2	ME621647	0.33	0.20	1.14	0.74	2.61	0.88	1.02	1.49	1.42	1.06
n-acetyl aspartic acid M+0	ME621645	0.29	0.19	1.05	0.73	2.80	0.83	1.01	1.54	1.56	1.13
n-acetyl aspartic acid M+1	ME621646	0.29	0.18	1.07	0.73	2.81	0.84	1.00	1.53	1.57	1.09
Uric acid (576,395,511)	ME621862	0.73	NA	1.55	0.79	2.32	0.87	0.71	0.85	1.42	0.82
aminoadipic M+2	ME621423	0.32	NA	1.25	0.66	1.90	0.99	1.04	1.01	1.20	0.84
Aminoadipic 3TBDMS ?	ME621421	0.13	0.15	1.48	1.05	1.85	1.19	1.02	1.13	1.66	0.91
aminoadipic M+1	ME621422	0.19	0.07	1.26	0.95	2.15	1.28	1.00	1.21	1.55	0.70
Succinic +1	ME621817	0.30	0.37	0.90	0.53	1.21	1.71	0.94	1.97	1.63	1.56
Succinic (289,331)	ME621816	0.24	0.46	0.87	0.48	1.43	1.81	0.98	1.98	1.49	1.55
Malic (419,287)	ME621617	0.03	0.09	0.87	0.59	1.96	0.84	1.01	2.21	2.05	1.25
Malic M+1	ME621618	0.04	0.09	0.86	0.62	1.92	0.82	1.02	2.20	2.00	1.23
aketoglutarate (346,258)	ME621411	0.29	0.36	0.68	0.37	1.33	0.33	1.51	1.95	2.55	1.20
aketoglutarate m+1	ME621412	0.33	0.32	0.67	0.40	1.33	0.33	1.45	1.99	2.46	1.19
Aspartic (418,390)	ME621436	0.03	0.12	1.27	1.02	1.50	1.75	1.07	1.21	1.65	1.54
Aspartic M+1	ME621437	0.04	0.12	1.26	1.06	1.47	1.73	1.07	1.21	1.63	1.52
Aspartic M+2	ME621438	0.04	0.09	1.34	1.40	1.13	1.33	1.07	1.16	1.25	1.17
Fumaric M+2	ME621493	0.18	0.15	1.17	1.07	1.27	0.95	1.12	1.61	1.13	0.90
Myristic M+12	ME621641	0.51	0.33	1.09	0.81	1.40	0.24	1.10	1.67	1.51	0.84
Myristic M+13	ME621642	0.53	0.29	1.05	0.87	0.98	0.55	1.08	1.75	1.21	0.83
2-hydroxyglutaric M+3	ME621376	0.28	0.12	0.82	0.97	0.85	0.62	1.13	2.05	1.75	0.65
Malic m+2	ME621619	0.04	0.07	0.96	0.89	1.45	0.61	1.05	2.16	1.56	0.92
Thymine M+2 2 TBDMS	ME621832	0.65	0.46	1.02	0.83	1.72	0.29	1.07	1.32	1.77	1.21
Thymine M+0 2 TBDMS	ME621830	0.66	0.38	0.94	0.86	1.82	0.24	1.07	1.38	1.62	1.30
Thymine M+1 2 TBDMS	ME621831	0.64	0.32	0.95	0.89	1.79	0.27	1.07	1.36	1.66	1.35
N-acetylAspartic (3TBDMS) M+0	ME621652	0.27	0.13	0.89	1.14	0.88	0.93	1.12	1.57	2.10	1.02
N-acetylAspartic (3TBDMS) M+1	ME621653	0.27	0.13	0.89	1.15	0.90	0.92	1.10	1.56	2.12	1.03
N-acetylAspartic (3TBDMS) M+2	ME621654	0.28	0.15	0.92	1.12	0.86	0.90	1.14	1.54	2.09	0.99
N-acetylAspartic (3TBDMS) M+3	ME621655	0.28	0.14	0.94	1.15	0.85	0.91	1.11	1.52	2.04	1.02
GABA M+3	ME621499	0.54	0.17	1.00	0.96	1.67	0.97	1.15	1.27	1.50	0.96
GABA M+2	ME621498	0.61	0.28	0.98	0.88	1.65	1.17	1.13	1.22	1.55	1.04
GABA M+0	ME621496	0.62	0.30	0.97	0.90	1.54	1.07	1.12	1.26	1.57	1.05
GABA M+1	ME621497	0.63	0.33	0.98	0.88	1.56	1.11	1.08	1.26	1.59	1.10
Fumaric (287,329)	ME621491	0.19	0.23	1.04	0.72	1.82	1.38	1.07	1.61	1.73	1.32
Fumaric M+1	ME621492	0.20	0.23	1.03	0.76	1.74	1.36	1.06	1.63	1.72	1.23
b-alanine M+3	ME621445	0.18	NA	1.05	0.58	1.51	0.88	0.75	1.42	2.01	1.20
2-hydroxyglutaric M+2	ME621375	0.21	0.07	1.10	0.60	1.31	0.76	1.30	1.60	1.78	1.07
b-alanine M+0	ME621442	0.21	0.09	1.08	0.91	1.52	0.98	1.22	1.43	1.71	1.33
b-alanine M+1	ME621443	0.23	0.12	1.10	0.88	1.33	0.93	1.21	1.46	1.78	1.36
b-alanine M+2	ME621444	0.20	0.13	1.10	0.88	1.49	0.83	1.06	1.55	1.95	1.43
2-hydroxyglutaric (433,245)	ME621373	0.17	0.10	1.07	0.71	1.47	0.86	1.24	1.65	1.96	1.25
2-hydroxyglutaric M+1	ME621374	0.21	0.16	1.09	0.74	1.39	0.75	1.19	1.65	1.83	1.36
Adenine M+2	ME621407	0.59	0.65	0.56	NA	NA	0.51	1.25	1.71	0.71	1.24
EThanolamine M+1	ME621490	1.16	0.53	0.36	0.23	NA	0.35	1.32	1.37	1.49	1.01
Adenine 2TBDMS	ME621405	0.85	0.90	0.62	0.56	0.32	0.63	1.15	1.98	1.28	1.19
Ethanolamine (232,144)	ME621488	1.06	0.73	0.40	0.42	0.40	0.94	1.36	1.69	1.84	1.37
Ethanolamine M+2	ME621489	1.04	0.65	0.33	0.43	NA	1.02	1.35	1.60	1.39	1.26
Glycine m+2	ME621540	0.06	1.34	0.95	0.80	0.96	0.71	1.19	1.56	1.59	2.16
Glycine (246,218)	ME621538	0.06	1.32	0.95	0.81	1.00	0.71	1.17	1.57	1.60	2.16
Glycine m+1	ME621539	0.06	1.34	0.95	0.81	0.99	0.71	1.17	1.56	1.61	2.16
Hypotaurine M+2	ME621567	0.33	0.24	0.71	0.91	0.55	0.93	1.29	1.68	1.46	2.16
Hypotaruine (280,158)	ME621565	0.25	0.16	0.69	0.87	0.59	0.76	1.32	1.79	1.50	2.31
Hypotaurine M+1	ME621566	0.27	0.14	0.69	0.88	0.56	0.83	1.29	1.82	1.46	2.19
DHAP 2/2 M+2	ME621486	2.56	0.90	0.08	0.73	1.68	2.89	0.09	0.88	1.75	0.46
DHAP 2/2 (484,452,383)	ME621484	2.65	0.88	0.03	0.74	1.61	2.85	0.05	0.88	1.89	0.42
DHAP 2/2 M+1	ME621485	2.64	0.91	0.03	0.76	1.61	2.88	0.05	0.87	1.82	0.43
DHAP 1/2 M+2	ME621482	2.67	0.85	0.10	0.72	1.78	2.68	0.10	0.82	1.61	0.40
DHAP 1/2 (484,452,383)	ME621480	2.77	0.86	0.03	0.73	1.80	2.60	0.05	0.84	1.66	0.41
DHAP 1/2 M+1	ME621481	2.76	0.88	0.04	0.71	1.80	2.61	0.04	0.84	1.78	0.40
2P-Glycerol M+1	ME621380	2.47	2.99	0.13	0.61	0.92	0.94	0.34	0.93	1.01	1.18
2P-Glycerol M+0	ME621379	2.43	3.17	0.13	0.61	0.90	0.92	0.32	0.96	1.07	1.13
2P-Glycerol M+2	ME621381	2.43	3.14	0.13	0.62	1.01	0.99	0.30	0.91	1.09	1.23
3P-glycerol M+2	ME621399	2.33	3.02	0.14	0.56	0.79	1.42	0.34	0.99	1.19	1.08
3P-glycerol M+0	ME621397	2.31	2.92	0.11	0.60	0.92	1.35	0.32	1.01	1.37	1.06
3P-glycerol M+1	ME621398	2.33	2.89	0.10	0.62	0.84	1.38	0.32	1.00	1.35	1.07

Factors:

F1	Treatment:Alanine 18h and C13 Glutamine 60min
F2	Treatment:Alanine 18h and Glutamine 60min
F3	Treatment:C13 Glucose 30min
F4	Treatment:C13 Glutamine 60min
F5	Treatment:Glucose 30min
F6	Treatment:Glutamine 60min
F7	Treatment:SMACA4 repstration + C13 Glucose 30min
F8	Treatment:SMACA4 repstration + C13 Glutamine 60min
F9	Treatment:SMACA4 repstration + Glucose 30min
F10	Treatment:SMACA4 repstration + Glutamine 60min

Data matrix