Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002471)

(Analysis AN004033)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
CAR DC6:0	ME583926	0.51	1.82	0.39	0.12	0.13	0.18	0.14	12.10	0.79	5.61
Acisoga	ME583721	0.76	0.98	0.46	0.72	15.18	0.37	0.81	0.76	0.31	0.25
Proline betaine	ME583820	0.89	0.53	0.90	0.37	14.62	0.70	0.79	0.43	0.31	0.40
alpha-N-Phenylacetylglutamine	ME583814	0.09	0.91	0.26	0.86	10.98	1.16	1.29	3.70	0.01	0.05
DG 34:2	ME583874	0.47	0.22	1.25	2.44	8.74	1.20	0.37	2.27	0.60	0.14
Trigonelline	ME583834	1.06	0.42	1.13	0.59	9.91	0.92	0.98	0.63	0.31	0.06
Stearamide	ME584074	0.74	0.84	0.76	0.66	0.66	0.58	0.96	3.52	0.59	8.58
Val-Glu/Leu-Asp/Ile-Asp/Asp-Leu/Asp-Ile	ME584103	1.45	0.63	0.92	0.66	0.53	0.61	0.93	0.48	7.43	1.57
Adenosine	ME583722	6.00	0.21	0.26	0.20	0.66	0.32	0.18	0.18	0.05	0.03
DG 36:2	ME583954	0.18	0.23	0.49	2.97	6.04	3.07	0.17	2.15	0.05	0.24
Creatinine	ME583759	0.36	1.52	0.38	0.97	4.67	1.05	0.91	2.63	0.00	0.05
DG 34:1	ME583873	0.57	0.23	1.42	2.15	6.07	1.31	0.53	2.87	0.57	0.24
N-Acetylglutamine	ME584028	0.53	0.64	0.84	0.68	5.96	1.36	0.73	2.08	1.21	0.22
Ser-Trp	ME584070	0.99	2.28	0.47	0.43	6.43	0.10	0.31	0.75	0.05	0.65
Norharmane	ME584033	1.17	0.73	0.96	0.54	5.91	0.67	1.35	0.24	0.30	1.31
13-cis-Retinoic acid	ME583877	1.69	0.47	0.71	0.32	7.79	1.34	0.39	1.29	0.74	0.74
CAR DC5:0	ME583748	0.39	1.41	0.58	0.25	7.03	1.33	0.65	0.48	0.37	0.17
Guanosine	ME583718	1.20	0.97	0.68	0.24	6.86	1.07	0.79	0.74	0.19	0.46
3-Methoxytyramine	ME583884	0.22	0.66	0.66	0.90	4.81	0.81	3.14	0.02	0.17	0.04
Uric acid	ME583839	0.95	0.90	1.25	1.98	4.33	0.69	0.43	0.78	1.44	0.08
5-Hydroxyindoleacetic acid	ME583886	1.15	0.26	1.49	1.69	3.12	0.95	1.02	1.21	0.70	0.68
Ala-Phe	ME583897	0.81	0.59	1.04	1.68	2.77	1.24	1.18	0.78	1.59	0.03
1-Methyl nicotinamide	ME583878	0.15	1.89	0.48	0.70	4.16	0.55	0.56	0.46	1.06	0.17
4-Acetamidobutanoic acid	ME583708	0.80	0.67	1.38	0.65	4.05	1.10	0.87	0.57	1.30	0.56
Homocitrulline	ME583978	1.13	0.53	1.53	0.60	3.53	0.90	0.62	0.53	1.71	0.18
Cinnamoylglycine	ME583948	1.27	0.97	1.00	0.41	4.97	0.97	0.63	0.18	0.53	0.86
Protoporphyrin	ME584060	1.43	0.80	0.71	0.66	4.81	1.33	0.81	0.20	0.30	0.37
N-Acetylputrescine	ME584031	0.82	1.10	0.85	0.54	4.31	1.11	0.80	0.93	0.75	0.56
Nor-psi-tropine	ME583810	1.26	0.81	1.14	0.34	4.92	1.01	0.60	1.02	0.75	0.26
DG 36:3	ME583955	0.36	0.21	0.89	5.48	6.94	1.43	0.21	2.26	0.11	0.18
Cytidine	ME583950	0.49	0.22	1.65	3.82	4.00	1.52	0.50	0.05	0.23	0.06
DG 36:4	ME583956	0.83	0.24	1.47	3.77	4.07	1.26	0.34	1.19	0.26	0.11
glycidyl linoleate	ME583968	0.68	0.37	1.14	4.10	3.59	1.20	0.68	1.80	0.41	0.23
Agmatine	ME583724	0.35	0.80	3.49	0.02	0.13	0.05	0.26	0.31	0.02	0.03
5-Methylcytosine	ME583715	0.44	0.56	0.85	0.50	2.26	2.17	1.41	1.77	0.07	0.13
CAR 9:0	ME583925	0.74	0.89	0.27	0.06	2.50	2.66	1.82	0.57	0.01	0.07
CAR DC3:0;2Me	ME583744	0.11	0.29	0.23	0.03	2.13	2.92	2.19	0.99	0.57	0.16
CAR 4:0;OH	ME583746	0.27	0.65	0.88	0.03	0.21	4.48	1.26	1.01	NA	0.03
Thiamine	ME583832	0.55	0.20	0.70	0.57	0.66	4.00	0.44	0.13	0.88	0.17
Mesalamine	ME584019	0.64	0.19	1.80	1.03	0.06	1.64	0.99	1.91	2.33	0.00
N-acetyl-5-Aminosalicylic acid	ME584024	0.41	0.08	1.83	0.88	0.15	2.08	0.98	0.66	3.08	0.00
Dihydrocholesterol	ME583712	0.91	0.67	1.48	2.06	0.10	0.83	0.83	NA	3.01	0.20
Cer 18:1;O2/14:1	ME583928	1.02	0.61	1.30	1.97	0.01	0.32	1.47	NA	2.41	0.77
Cholestenone	ME583947	0.68	0.52	1.95	1.68	0.07	0.84	0.99	0.02	2.12	0.52
N-Methyl-proline	ME583807	1.66	0.22	1.29	0.35	0.34	1.10	1.62	0.17	3.25	0.25
Asp-Val	ME583908	0.71	1.84	0.69	0.35	0.91	0.42	0.73	0.37	3.19	0.81
5-Acetylamino-6-amino-3-methyluracil	ME583711	0.95	0.93	1.21	0.94	1.16	0.99	0.64	0.09	3.08	0.67
CAR 20:0	ME583754	1.33	1.00	0.64	0.47	1.47	0.97	1.16	0.32	2.53	0.98
CAR 8:0	ME583924	0.16	1.68	0.13	0.01	2.66	0.15	2.31	0.12	0.00	0.01
N2,N2-Dimethylguanosine	ME584022	0.06	3.26	0.10	0.01	2.71	0.05	0.24	0.77	0.04	0.02
Atenolol	ME583732	0.89	0.23	0.77	1.03	0.28	0.98	3.62	0.64	0.36	0.09
Anserine	ME583728	0.26	0.38	1.83	0.35	1.04	0.34	3.05	0.78	0.19	0.05
gamma-Aminobutyric acid	ME583764	0.53	0.55	0.86	0.70	1.26	1.39	2.70	0.51	0.05	0.29
N-Methylserotonin	ME583808	0.46	0.22	1.28	1.51	1.08	0.80	2.51	0.02	0.04	0.01
PE 30:0	ME584046	1.80	0.52	0.83	0.73	1.75	0.46	1.90	0.46	0.64	1.65
4-Guanidinobutanoic acid	ME583709	0.68	0.78	1.41	0.53	2.42	0.84	1.22	0.43	2.71	0.29
N-Acetylarginine	ME583800	0.82	0.87	1.16	1.05	2.06	1.05	0.82	1.53	1.73	0.32
Retinol	ME584063	0.84	0.62	1.13	0.78	1.88	1.21	1.15	1.81	1.85	0.73
Triethanolamine	ME584087	2.05	0.95	0.86	0.34	0.44	0.66	0.61	1.91	1.01	1.96
tridecylamine	ME584086	0.89	0.95	1.40	0.83	0.59	0.60	1.14	1.65	0.83	1.00
Triisopropanolamine	ME584088	0.79	1.00	1.39	0.73	1.16	0.76	0.85	1.67	0.82	1.06
Tetradecylamine	ME584075	1.11	0.97	1.08	0.70	0.56	0.62	1.20	1.28	1.19	2.02
D-N-Acetylgalactosamine	ME583960	1.26	1.17	0.72	1.15	0.36	0.74	1.04	1.31	0.84	1.68
N-Acetyl-D-galactosamine	ME583720	1.19	1.19	0.70	1.09	0.38	0.72	1.15	1.46	0.80	1.68
3-Methylhistidine	ME583706	0.80	0.65	1.29	0.77	1.11	0.71	1.84	2.18	1.12	0.13
Bilirubin	ME583736	0.96	0.29	0.85	0.80	0.14	1.22	2.08	2.17	0.72	NA
N6-Methyladenosine	ME584023	0.89	0.44	1.18	0.90	1.02	2.13	0.48	1.89	0.27	0.32
Ureidopropionic acid	ME583801	0.37	0.91	0.71	0.68	1.06	2.00	1.21	1.64	0.18	1.09
Linoleoyl-EA	ME583784	0.39	0.97	0.99	0.44	0.80	1.53	1.34	1.74	0.15	1.05
N-Oleoyl glycine	ME583811	0.62	1.02	0.64	0.34	1.04	1.72	1.30	1.80	0.26	0.77
Oleoyl-EA	ME584035	0.49	0.83	1.23	0.53	0.83	1.54	1.14	1.22	0.34	1.02
Palmitoyl-EA	ME584036	0.63	1.02	1.06	0.62	0.83	1.35	1.04	0.82	0.45	1.43
1-Methylhistamine	ME583703	0.48	1.42	0.52	0.46	1.29	1.17	1.37	1.97	0.63	0.26
N-methylhistamine	ME583806	0.48	1.41	0.52	0.45	1.27	1.16	1.36	1.96	1.25	0.25
Imidazolepropionic acid	ME583777	0.98	0.71	0.93	1.14	1.30	1.35	1.40	1.29	0.48	0.22
LPE 15:0	ME584006	1.23	0.88	0.85	1.28	1.19	0.72	1.56	2.01	0.14	0.84
LPE 14:0	ME584005	1.21	1.05	0.78	0.66	1.36	0.80	1.41	1.48	0.13	0.53
LPE 16:0	ME583853	0.95	1.30	0.75	1.10	1.35	0.82	1.04	1.87	0.13	0.43
Pro-hydroxyPro	ME584059	0.33	0.23	0.81	0.24	0.76	2.12	2.46	0.24	1.23	NA
CAR 10:2	ME583916	1.46	0.84	0.25	0.22	0.64	1.99	1.13	1.11	0.62	0.54
D-alpha-tocopherylquinone	ME583952	1.10	0.74	1.02	0.47	0.94	1.83	0.67	0.71	0.84	0.71
isoquinoline-1,5-diol	ME583990	0.56	0.60	1.11	1.44	1.01	1.84	1.09	0.86	0.87	0.25
N-Acetylhistamine	ME583797	0.54	0.79	0.83	0.90	0.84	2.27	0.91	0.62	0.75	0.42
Cer 18:1;O2/2:0	ME583938	0.50	0.92	0.86	0.24	0.49	1.85	1.71	0.57	0.57	0.83
Histamine	ME583772	0.48	1.27	0.40	0.42	0.36	2.31	0.98	0.58	0.14	0.48
Indolin-2-one	ME583989	0.98	0.81	0.79	0.91	0.20	2.44	1.00	0.06	0.17	0.16
Solanidine	ME583830	0.87	0.58	0.93	0.59	0.56	2.16	1.31	0.14	0.36	0.49
Tryptamine	ME583835	0.11	1.53	0.13	0.31	0.12	1.96	1.98	0.31	0.31	0.08
Tyramine	ME583837	0.10	1.36	0.13	0.71	0.33	2.14	1.55	0.74	0.07	1.44
Stercobilin	ME583840	1.32	0.67	1.22	2.03	0.00	1.51	0.35	NA	0.10	1.55
Trimethylbenzene	ME584089	0.94	0.60	0.91	2.89	1.44	1.13	1.36	0.59	0.81	0.51
Didanosine	ME583958	1.27	0.30	1.32	2.16	0.09	1.10	0.99	0.04	1.05	0.27
DOPA	ME583961	1.20	0.34	1.49	1.80	0.05	0.96	0.54	NA	0.55	0.37
7-Methylxanthine	ME583717	1.07	0.63	1.11	2.01	0.32	1.48	0.79	0.60	0.24	0.04
Pyridoxine	ME583823	1.31	0.49	0.78	2.00	1.08	1.83	0.95	0.41	0.76	0.17
alpha-Tocopherol	ME583899	1.23	0.81	1.17	0.76	0.54	1.07	0.86	0.64	1.00	1.93
Urocanic acid	ME583841	0.69	0.75	1.42	0.53	0.78	1.53	0.62	0.35	1.48	1.71
C16 Sphinganine	ME583909	1.27	0.83	0.95	0.65	1.64	1.34	0.70	0.38	1.25	1.50
C16 Sphingosine	ME583910	1.08	1.16	0.56	0.55	1.96	1.65	0.55	0.24	0.91	1.32
1-Methyladenosine	ME583879	1.30	0.50	0.85	1.04	1.12	1.68	0.77	0.13	1.31	2.15
5-(2-Hydroxyethyl)-4-methylthiazole	ME583885	1.12	0.55	1.13	1.01	1.30	2.01	0.44	0.03	0.48	1.75
Deoxycytidine	ME583953	0.52	0.60	1.27	1.69	1.57	1.08	1.61	0.22	0.54	0.38
Cer 18:1;O2/16:2	ME583931	1.30	0.69	1.19	1.33	1.37	0.83	1.33	0.18	0.47	0.04
N-Acetylaspartic acid	ME584025	1.25	0.97	0.88	1.66	0.77	0.79	1.36	0.61	0.32	0.11
N-Acetylglutamic acid	ME584027	1.30	0.55	1.08	1.74	1.00	1.21	1.18	0.35	0.80	0.78
Nicotinic acid	ME583803	1.05	0.61	1.25	1.41	1.22	1.23	1.12	0.52	0.66	0.58
S-Methylcysteine S-oxide	ME583829	0.99	0.70	1.20	1.23	1.06	1.26	1.01	0.71	0.92	0.62
Cer 18:1;O2/22:0	ME583942	0.81	1.18	0.99	1.13	1.07	1.16	0.91	0.19	0.49	0.60
Imidazoleacetic acid	ME583778	0.80	1.04	0.87	0.98	1.12	1.16	1.46	0.35	0.63	0.17
N-Acetylornithine	ME583799	1.15	1.19	0.66	1.07	1.57	1.00	1.07	0.65	0.75	0.62
myristoleate	ME583790	1.04	1.05	0.93	0.84	1.32	1.43	0.64	0.61	0.64	0.55
N-Acetylleucine	ME583798	1.44	0.82	0.87	0.95	1.56	1.31	0.86	0.31	0.93	0.52
N1,N12-Diacetylspermine	ME583761	0.94	1.38	0.65	1.47	2.38	0.87	1.02	0.40	0.05	0.21
N-Acetylcadaverine	ME584026	1.51	0.79	0.82	0.92	2.26	1.27	1.11	0.13	0.14	0.17
3-Dehydroxycarnitine	ME583882	0.78	0.53	0.95	0.87	2.41	1.65	1.48	1.16	0.61	0.29
Methylguanidine	ME583788	0.76	0.62	1.25	0.68	1.68	1.34	1.45	0.58	0.81	0.52
3-Methylxanthine	ME583707	0.91	0.47	1.49	1.06	1.99	1.52	0.77	0.73	0.99	0.32
3-hydroxynorvaline	ME583883	0.61	0.69	1.01	1.32	2.21	1.55	1.29	0.65	0.62	0.28
N1-Acetylspermidine	ME583791	1.32	0.82	0.97	1.03	2.05	1.17	0.93	0.63	0.50	0.30
7-Methylguanine	ME583716	0.85	0.82	1.17	1.29	2.01	1.18	0.99	0.73	0.65	0.22
Theobromine	ME584076	1.05	0.65	1.00	1.24	2.00	1.45	1.08	0.65	0.51	0.50
CAR 20:4	ME583922	1.06	0.42	1.38	1.03	2.66	1.13	1.17	0.15	0.94	0.13
N-Acetylvaline	ME584032	1.76	0.44	1.02	1.37	2.66	1.21	0.84	0.60	0.87	0.60
Cytosine	ME583760	0.84	0.40	1.13	0.78	2.81	2.23	0.87	0.17	0.54	0.11
Monoethylglycinexylidide	ME583802	0.44	1.47	0.86	0.57	2.54	1.45	0.57	0.40	1.28	0.15
Caffeine	ME583740	1.95	0.77	0.85	1.02	1.02	0.78	1.22	0.43	0.35	0.50
Cer 18:1;O2/16:1	ME583930	1.86	1.01	0.74	1.20	0.91	0.92	0.87	0.30	0.50	0.67
threosphingosine	ME583868	2.09	0.77	0.74	0.73	0.85	1.07	0.81	0.44	1.28	0.90
Cer 18:1;O2/18:1	ME583935	1.61	1.23	0.79	0.55	0.77	0.93	0.77	0.21	0.78	0.91
Cer 18:1;O2/14:0	ME583927	1.53	1.10	0.74	0.79	0.96	1.36	0.65	0.18	0.48	0.55
Cer 18:1;O2/15:0	ME583929	1.73	0.93	0.75	0.64	0.59	1.39	0.77	0.16	1.05	0.29
Cer 18:1;O2/17:0	ME583932	1.35	0.97	0.87	0.58	0.73	1.42	0.89	0.10	0.82	0.35
Cer 18:1;O2/22:2	ME583943	2.08	0.82	0.91	0.74	0.17	1.36	0.44	0.03	0.84	0.10
Cer 18:1;O2/17:1	ME583933	1.77	1.39	0.55	0.40	0.15	0.89	0.56	NA	1.60	NA
Cer 18:1;O2/20:1	ME583940	1.86	1.09	0.93	0.41	0.40	0.85	0.64	NA	1.66	0.48
Glycitein	ME583969	1.54	0.20	0.87	1.13	0.06	1.87	0.60	0.93	2.02	0.30
Cer 18:1;O2/19:0	ME583937	0.69	0.98	1.01	0.30	0.69	1.63	0.83	NA	1.37	0.07
Sphinganine	ME583870	1.57	0.66	1.14	0.53	0.83	1.31	0.79	0.23	1.77	0.29
Acetylcholine	ME583889	1.56	0.42	1.46	0.93	0.39	1.11	0.84	0.25	2.72	0.16
C20 Sphingosine	ME583913	1.18	0.73	1.26	0.85	0.42	1.09	0.92	0.38	2.42	0.57
Pyridoxamine	ME584062	1.10	0.38	1.46	1.32	1.09	1.47	0.79	0.31	1.99	0.49
7-Methyladenine	ME583888	1.16	0.62	1.13	1.32	0.67	1.41	0.54	0.02	2.20	0.14
Ribothymidine	ME583824	1.47	0.54	1.15	1.60	0.74	1.19	0.79	0.24	2.03	0.46
4-Pyridoxic acid	ME583710	0.79	0.32	1.35	1.89	0.92	1.65	1.11	0.61	1.51	0.36
Pipecolic acid	ME583817	1.20	0.42	1.27	1.33	0.50	1.49	1.04	0.30	1.51	0.72
Pterin	ME583821	0.85	0.34	1.50	1.43	0.40	1.77	0.80	0.44	1.57	0.37
3-Guanidinopropanoic acid	ME583734	0.86	0.77	1.24	0.78	0.55	0.84	1.75	0.32	0.90	0.52
Cer 18:1;O2/18:0	ME583934	1.17	0.84	1.20	0.83	0.61	1.03	1.13	0.22	1.07	0.53
Cer 18:1;O2/20:0	ME583939	0.80	1.05	1.23	0.96	0.47	1.16	0.91	0.08	1.04	0.37
Xanthine	ME583843	0.92	0.97	1.28	0.59	0.76	1.12	0.67	0.81	1.54	0.92
Kynurenic acid	ME583781	0.91	0.68	1.41	1.52	0.87	1.01	0.93	0.70	1.66	0.55
O-ethyl-homoserine	ME584034	1.00	0.98	1.05	1.04	0.93	1.04	0.98	0.53	1.47	0.55
Pantothenic acid	ME583813	0.88	0.64	1.32	1.08	0.99	1.27	1.13	0.39	1.58	0.44
2-Aminobenzoic acid	ME583880	0.79	1.18	1.39	0.49	NA	1.23	0.93	0.03	NA	0.03
Biotin	ME583738	0.69	0.93	1.95	0.69	1.05	0.57	1.01	0.10	0.38	0.32
N1-Methyl-2-pyridone-5-carboxamide	ME583792	0.47	0.85	1.93	0.86	0.90	1.12	0.53	0.40	0.73	0.59
Cryptoxanthin	ME583949	1.18	0.36	1.53	0.92	0.73	1.28	1.25	0.70	1.15	0.10
Serotonin	ME583828	1.04	0.15	1.94	0.98	0.65	0.99	0.49	1.10	1.10	0.16
Methylimidazoleacetic acid	ME583789	0.87	0.34	2.06	1.34	0.48	1.23	0.89	0.14	0.69	0.18
Piperine	ME583818	0.39	0.26	2.25	1.19	0.44	1.57	0.77	0.91	0.13	0.32
Tyr-Tyr	ME584097	1.15	2.63	0.72	0.34	0.42	0.56	0.13	1.00	1.75	0.67
Venlafaxine	ME584112	0.64	1.73	0.90	0.71	0.13	0.66	0.79	1.33	2.39	0.36
LPE 16:1	ME584007	1.16	1.85	0.22	0.45	3.25	0.14	0.74	2.44	NA	0.08
5-Hydroxymethyl-4-methyluracil	ME583887	1.45	0.97	1.03	0.26	3.02	0.74	0.63	2.30	0.25	0.70
Met-Val	ME584021	1.64	1.25	0.81	0.86	2.23	0.37	0.70	2.48	0.03	0.14
Phe-Trp	ME584055	1.56	1.78	0.26	0.48	3.67	0.12	0.38	0.18	0.00	0.03
Guanidoacetic acid	ME583770	1.22	1.88	0.36	0.18	3.48	0.36	0.45	1.10	0.14	0.21
Tyr-Leu	ME584095	1.40	2.08	0.40	0.70	3.42	0.14	0.40	0.74	0.07	0.28
Phe-Gly	ME584048	0.83	2.10	0.55	0.48	2.28	0.24	0.59	0.75	0.14	1.62
Phe-Thr	ME584054	0.98	2.04	0.52	0.45	2.68	0.33	0.57	0.53	0.44	1.00
Ser-Ile	ME584066	1.32	1.99	0.55	0.64	2.54	0.19	0.42	0.72	0.12	0.66
Tyr-Val	ME584098	0.96	2.29	0.44	0.54	2.59	0.20	0.40	0.80	0.09	0.20
Gln-Ile	ME583964	2.50	1.14	0.51	0.93	2.18	0.27	0.84	0.77	0.13	0.71
Leu-Tyr	ME583995	1.79	1.42	0.66	0.85	2.08	0.54	0.49	1.16	0.33	0.28
Phe-Tyr	ME584056	2.04	1.83	0.32	0.61	1.66	0.21	0.35	1.09	0.18	0.88
Ile-Met	ME583982	1.88	1.89	0.44	0.67	2.20	0.26	0.33	1.14	0.07	0.52
Leu-Phe	ME583994	1.89	1.85	0.38	0.68	2.32	0.19	0.42	0.78	0.08	0.52
Inosine	ME583779	0.85	1.30	0.93	0.48	2.74	0.82	0.82	1.66	0.22	0.51
N-Acetylisoputreanine	ME584030	0.76	1.07	0.97	0.82	2.91	1.00	1.01	1.02	0.51	0.67
Putrescine	ME583822	0.78	1.31	0.75	0.69	2.55	0.97	1.04	1.17	0.19	0.50
Lenticin	ME583992	1.08	1.59	0.59	1.01	2.61	0.53	0.74	0.44	0.81	1.19
Cer 18:1;O2/4:0	ME583945	1.36	1.23	0.58	0.64	2.54	0.79	1.19	0.66	0.37	0.62
Dimethylglycine	ME583762	0.99	1.40	0.63	0.81	2.74	0.71	1.04	0.62	0.62	0.75
Asn-Ala	ME583904	0.70	1.78	0.72	0.39	1.57	0.23	1.38	1.08	0.06	0.50
Glu-Gln	ME583965	0.69	1.31	1.13	0.39	1.39	0.58	1.31	1.34	0.37	0.35
Symmetric dimethyl-arginine	ME583826	0.75	1.39	0.84	0.58	2.11	0.83	0.91	1.28	0.94	0.39
Val-Lys	ME584106	1.09	1.20	0.94	1.03	1.74	0.78	0.84	1.31	0.85	0.05
PC 36:3	ME584040	0.71	1.60	0.61	0.74	1.48	1.30	0.57	1.05	0.31	0.79
Ile-Thr	ME583986	1.21	1.60	0.79	0.87	2.09	0.37	0.74	0.80	0.23	0.64
Phe-Ser	ME584053	1.05	1.67	0.69	0.61	2.02	0.55	0.66	0.84	0.38	1.11
LPE 18:3	ME583854	1.13	1.48	0.64	0.69	1.79	0.69	1.04	1.19	0.03	0.39
Xanthosine	ME584113	1.28	1.41	0.61	1.24	1.89	0.73	0.77	1.04	0.14	0.34
Ser-Arg	ME584065	1.92	1.89	0.39	0.53	0.27	0.18	0.40	2.48	0.44	0.02
sn-Glycero-3-phosphocholine	ME583727	1.62	1.83	0.29	0.61	0.22	0.55	0.40	2.60	0.03	1.12
LPC 14:0	ME583997	0.91	2.11	0.03	0.32	0.16	0.22	0.24	1.48	NA	0.27
LPC 16:1	ME583999	1.00	1.51	0.14	0.53	0.21	0.51	0.46	1.72	0.01	0.14
LPC 18:1	ME583847	1.43	1.89	0.18	1.48	0.33	0.52	0.64	1.85	0.03	0.19
LPE 18:1	ME583856	1.15	1.66	0.33	1.68	0.54	0.55	0.91	2.40	0.03	0.29
Gly-Arg	ME583967	1.70	1.50	0.77	0.81	0.30	0.46	0.51	1.86	0.23	0.20
Creatine	ME583758	1.07	1.66	0.56	0.44	0.67	0.73	1.00	1.69	0.01	0.27
LPE 17:0	ME584008	1.10	1.50	0.71	0.96	0.69	0.69	0.78	2.00	0.05	0.35
1-Methylguanine	ME583701	0.49	2.57	0.47	2.01	0.31	0.58	0.60	0.29	0.81	0.01
5-Amino-levulinic acid	ME583713	0.24	1.65	0.57	1.50	0.68	1.16	1.05	0.83	0.31	0.44
Hydroxyproline	ME583775	0.26	1.36	0.64	1.72	0.74	1.33	1.21	0.91	0.34	0.49
DG 38:5	ME583957	1.34	1.75	0.42	2.13	0.26	0.35	0.87	0.21	0.02	0.31
Lys-Tyr	ME584017	0.96	1.67	0.52	2.14	1.18	0.27	1.15	0.77	0.05	0.63
CAR 5:1	ME583923	0.04	1.52	0.42	0.00	1.50	0.95	1.49	NA	NA	NA
CAR 5:0	ME583747	0.09	1.22	0.60	0.01	0.70	0.71	2.61	0.81	NA	0.11
Aminoisobutyric acid	ME583704	0.86	1.35	0.43	0.69	0.37	0.50	1.96	0.98	0.15	0.97
CAR 14:2	ME583921	1.02	1.17	0.38	0.27	0.51	1.14	2.01	1.27	0.19	0.07
CAR 10:1	ME583915	0.24	1.72	0.32	0.02	0.83	0.92	1.45	0.51	NA	0.15
CAR 14:0	ME583749	0.60	1.67	0.41	0.52	0.68	1.04	1.56	1.07	0.04	0.04
Phe-Phe	ME584052	2.26	1.93	0.21	0.57	0.87	0.15	0.46	0.60	0.16	1.98
Carnosine	ME583755	1.67	2.28	0.13	0.13	0.08	0.12	0.59	0.19	0.01	1.05
Trp-Gly	ME584090	1.42	2.32	0.21	0.21	0.68	0.13	0.88	0.33	0.03	1.64
SM 18:1;O2/16:1	ME584072	0.64	1.79	0.30	0.56	0.71	0.36	0.51	0.45	NA	2.06
Cer 18:1;O2/18:2	ME583936	1.32	1.46	0.70	0.49	1.20	0.75	0.80	0.24	0.62	1.63
Betaine	ME583735	0.85	1.66	0.71	0.61	1.01	0.67	0.81	0.79	0.36	1.55
Choline	ME583756	1.12	1.83	0.52	0.56	0.83	0.32	1.00	1.01	0.18	1.32
Cadaverine	ME583739	1.05	1.51	0.81	0.85	1.43	0.81	0.92	0.12	0.01	0.03
Cer 18:1;O2/24:0	ME583944	1.41	1.47	0.58	0.84	1.47	0.74	0.95	0.22	0.28	0.51
Diethanolamine	ME583959	1.14	1.31	0.93	0.57	0.68	0.80	0.75	1.11	0.78	1.18
Ala-Ala	ME583725	1.20	1.34	0.94	0.85	1.10	0.50	1.02	0.82	0.59	0.37
CAR 18:0	ME583751	1.32	1.25	0.74	0.64	0.87	0.93	0.95	0.63	0.72	0.86
Cer 18:1;O2/16:0	ME583871	1.35	1.15	0.74	0.84	1.05	1.12	0.85	0.51	0.45	0.79
Cer 18:1;O2/24:1	ME583872	1.35	1.35	0.61	0.90	0.91	1.08	0.73	0.64	0.40	0.63
C20 Sphinganine	ME583912	0.97	1.12	0.96	0.74	0.84	1.21	0.83	0.65	0.84	0.78
Hypoxanthine	ME583776	0.96	1.34	0.86	0.97	0.71	0.95	0.79	0.56	0.77	0.96
N6-Acetyllysine	ME583796	0.96	1.48	0.69	1.10	1.21	0.66	1.01	0.60	0.79	0.81
C17 Sphinganine	ME583911	0.90	1.42	0.82	0.86	1.23	0.84	0.85	0.74	0.53	0.95
Phenylalanine-d8 [iSTD]	ME583699	0.93	1.46	0.81	0.76	0.99	0.83	0.84	0.75	0.55	0.90
Valine-d8 [iSTD]	ME583700	0.92	1.41	0.84	0.79	1.00	0.85	0.85	0.73	0.58	0.88
beta-Alanine	ME583733	0.86	1.38	0.77	0.54	1.20	0.86	1.29	0.69	0.34	0.55
Ser-Pro/Pro-Ser	ME584067	0.97	1.60	0.65	0.76	1.42	0.77	0.92	0.56	0.47	0.53
Valine	ME583842	0.76	1.54	0.65	0.61	1.71	0.87	1.04	0.75	0.49	0.55
Glu-Ile	ME583966	0.89	1.73	0.83	0.65	1.10	0.45	0.84	0.54	0.29	0.92
Gly-Val	ME583972	0.79	1.81	0.74	0.39	1.23	0.60	0.86	0.47	0.49	0.53
Tyr-Pro	ME584096	0.80	1.69	0.65	0.53	0.88	0.78	1.03	0.41	0.47	0.63
Ile-Pro	ME583983	0.82	1.77	0.73	0.58	1.03	0.58	1.04	0.37	0.63	0.33
Pro-Val	ME584061	0.70	1.68	0.85	0.74	0.97	0.72	0.93	0.45	0.62	0.27
Biliverdin	ME583737	0.80	1.59	0.65	0.36	0.52	0.88	1.30	0.72	0.30	0.83
Taurine	ME583831	0.59	1.63	0.76	0.70	0.56	0.74	1.31	0.82	0.02	0.70
CAR 18:2	ME583753	0.89	1.82	0.58	0.70	0.35	0.69	1.09	0.80	0.10	0.03
N-Lauroylglycine	ME583805	0.65	1.71	0.51	0.71	0.79	0.83	1.18	0.25	0.12	0.34
CAR 16:0	ME583750	0.84	1.66	0.54	0.91	0.99	0.96	0.93	0.89	0.06	0.40
Arg-Pro	ME583903	0.90	1.79	0.80	0.51	1.11	0.45	0.97	0.69	0.21	0.24
CAR 18:1	ME583752	0.97	1.63	0.68	0.54	0.80	0.78	1.08	0.80	0.17	0.28
Aspartic acid	ME583731	0.71	1.72	0.69	0.49	0.88	0.57	0.94	1.08	1.31	1.38
Methionine	ME583786	0.77	1.27	0.96	0.67	0.70	0.91	1.09	0.54	1.19	0.81
Gly-Pro	ME583970	0.58	1.67	0.90	0.44	0.82	0.64	1.07	0.53	1.04	0.52
Isoleucine	ME583780	0.72	1.58	0.89	0.48	0.88	0.80	0.84	0.38	1.18	0.67
N-Acetylhistidine	ME584029	0.79	1.52	0.73	0.50	0.24	0.85	1.04	0.38	1.06	1.77
Alanine	ME583726	0.81	1.59	0.75	0.57	0.74	0.68	1.04	0.42	0.78	1.21
Glutamic acid	ME583765	0.74	1.40	0.87	0.61	0.51	0.79	1.22	0.50	0.85	1.11
Citrulline	ME583757	0.79	1.56	0.77	0.54	0.33	0.73	1.12	0.51	0.83	1.33
Proline	ME583819	0.63	1.68	0.84	0.48	0.30	0.65	1.00	0.51	0.99	1.29
Glycine	ME583767	0.70	1.64	0.80	0.46	0.59	0.83	0.88	0.57	0.98	1.06
Threonine	ME583833	0.68	1.67	0.78	0.51	0.50	0.76	0.90	0.50	0.94	1.15
Lysine	ME583785	0.67	1.76	0.66	0.46	0.46	0.61	1.10	0.68	0.92	1.20
Serine	ME583827	0.64	1.87	0.64	0.46	0.60	0.69	0.87	0.58	0.79	1.33
Genistein	ME583963	0.38	1.75	0.93	0.82	0.37	0.74	1.28	0.75	0.63	0.09
N(6)-Methyllysine	ME583793	0.59	2.17	0.56	0.62	0.80	0.29	1.04	0.64	0.33	0.69
Targinine	ME583809	0.65	1.88	0.74	0.50	0.65	0.49	1.04	0.95	0.48	0.66
Methionine sulfoxide	ME583787	0.93	2.00	0.66	0.35	0.56	0.46	0.73	0.20	0.98	0.91
Thr-Pro	ME584082	0.78	1.96	0.53	0.50	0.62	0.67	0.97	0.36	0.61	0.39
Leucine	ME583782	0.63	2.05	0.60	0.38	0.78	0.56	0.80	0.42	0.65	0.75
Phenylalanine	ME583815	0.60	2.08	0.59	0.40	0.53	0.56	0.84	0.45	0.62	0.74
Tryptophan	ME583836	0.60	1.95	0.59	0.47	0.38	0.69	0.88	0.58	0.69	0.86
Ornithine	ME583812	0.65	1.89	0.68	0.37	0.56	0.61	1.02	0.54	0.84	0.70
Tyrosine	ME583838	0.65	1.89	0.74	0.49	0.53	0.58	0.87	0.52	0.76	0.65
Histidine	ME583773	0.48	2.44	0.36	0.26	0.13	0.24	1.27	0.37	0.27	0.26
Asparagine	ME583730	0.40	2.52	0.36	0.17	0.51	0.46	0.84	0.79	0.40	0.45
Glutamine	ME583766	0.57	2.14	0.65	0.27	0.61	0.49	0.85	0.46	0.33	0.43
Lys-Pro	ME584015	0.54	2.15	0.66	0.45	0.65	0.43	1.01	0.42	0.37	0.16
His-Pro	ME583976	0.88	2.22	0.52	0.43	0.43	0.40	0.83	0.37	0.22	0.23
Thr-Glu	ME584079	0.80	2.31	0.61	0.36	0.62	0.27	0.62	0.36	0.07	0.32
Arg-Met	ME583901	1.44	2.20	0.01	0.07	0.00	0.02	0.35	0.18	NA	NA
Ala-His	ME583893	2.28	2.10	0.09	0.24	0.02	0.07	0.26	0.28	0.00	0.14
Val-His	ME584105	1.90	2.17	0.12	0.10	0.20	0.17	0.13	0.60	0.02	0.04
Phe-Ile	ME584049	2.19	1.99	0.28	0.63	1.10	0.10	0.40	0.67	0.06	0.51
Ile-Gln	ME583980	2.15	2.03	0.46	0.45	1.20	0.09	0.23	0.40	0.03	0.13
Trp-Tyr	ME584093	1.90	2.26	0.22	0.32	1.21	0.16	0.30	0.35	0.24	0.11
His-Val	ME583977	1.85	2.06	0.32	0.40	0.28	0.23	0.70	0.28	0.12	0.39
PE 34:2	ME583862	1.76	2.30	0.33	0.20	0.58	0.24	1.19	0.01	0.03	0.37
Asn-Phe	ME583906	1.65	1.79	0.63	0.55	0.77	0.17	0.48	NA	NA	NA
His-Ile	ME583974	1.81	1.73	0.67	0.27	0.56	0.07	0.42	0.19	NA	0.29
Asn-Arg	ME583905	2.04	1.57	0.30	0.76	0.60	0.19	0.52	0.16	0.01	0.02
LPE 20:0	ME583858	1.86	1.81	0.04	1.03	0.47	0.24	0.60	0.40	0.01	0.27
Pro-Gly	ME584058	0.79	1.91	0.98	0.24	1.34	0.21	0.58	0.09	0.08	0.08
Arg-Phe	ME583902	1.02	1.81	0.00	0.01	1.72	0.03	0.71	0.01	NA	NA
Trp-Trp	ME584092	1.08	2.30	0.21	0.36	1.77	0.06	0.37	0.18	0.04	0.05
Ser-Ser	ME584068	1.22	2.28	0.38	0.70	1.75	0.14	0.32	1.21	0.01	0.13
Thr-Trp	ME584084	1.04	2.10	0.45	1.37	1.68	0.19	0.28	0.86	0.14	0.12
N(6),N(6)-Dimethyl-lysine	ME583794	1.00	1.97	0.53	0.57	1.12	0.34	0.92	0.85	0.30	0.69
SM 18:1;O2/14:0	ME583866	1.00	1.85	0.23	0.69	1.00	0.47	0.74	0.59	NA	0.88
SM 18:1;O2/16:0	ME583867	1.11	2.19	0.20	0.64	1.09	0.41	0.78	0.65	0.06	0.83
SM 18:1;O2/18:3	ME584073	1.03	2.11	0.21	0.87	1.08	0.46	0.82	0.79	0.07	0.78
Phe-Glu	ME584047	0.85	2.19	0.48	0.42	0.93	0.33	0.73	0.49	0.21	1.07
Val-Asp	ME584101	0.75	2.36	0.35	0.37	0.86	0.27	0.89	0.47	0.17	0.82
Arginine	ME583729	0.94	2.11	0.49	0.51	1.38	0.34	0.66	0.47	0.46	0.66
Asn-Val	ME583907	0.98	2.21	0.53	0.33	1.21	0.30	0.72	0.45	0.10	0.73
Lys-Val	ME584018	1.08	2.40	0.28	0.37	0.86	0.28	0.77	0.27	0.08	0.27
guanine	ME583771	0.59	2.40	0.49	0.50	1.19	0.42	0.54	0.29	0.09	0.31
Val-Pro	ME584108	0.71	2.32	0.41	0.15	1.16	0.37	0.89	0.20	0.10	0.41
Lys-Gly	ME584013	0.81	2.12	0.45	0.41	1.41	0.33	0.99	0.65	0.07	0.36
1-Methylguanosine	ME583702	0.63	2.36	0.54	0.48	1.08	0.34	0.58	0.66	0.53	0.39
Dimethylarginine	ME583723	0.46	2.29	0.47	0.26	0.98	0.31	0.79	0.89	0.03	0.42
Ile-Ser	ME583984	1.08	1.96	0.58	0.46	1.97	0.35	0.64	0.57	0.20	0.63
Ser-Val	ME584071	1.23	2.04	0.45	0.49	1.78	0.27	0.70	0.45	0.13	0.54
Thr-Ile	ME584080	1.24	2.14	0.49	0.42	1.91	0.21	0.50	0.56	0.12	0.38
Ile-Trp	ME583987	1.39	2.12	0.49	0.67	1.71	0.16	0.44	0.48	0.06	0.14
Val-Met	ME584107	1.30	2.25	0.50	0.45	1.77	0.20	0.27	0.65	0.11	0.53
Val-Tyr	ME584111	1.36	2.38	0.44	0.43	1.60	0.22	0.31	0.86	0.31	0.28
Gly-Ser	ME583971	1.61	1.81	0.63	0.67	1.79	0.13	0.35	0.80	0.01	0.49
Leu-Leu	ME583993	1.71	1.71	0.57	0.80	1.75	0.26	0.63	0.78	0.16	0.35
Ile-Asn	ME583979	1.39	1.69	0.62	0.83	1.35	0.41	0.78	0.71	0.19	0.52
Ile-Val	ME583988	1.35	1.90	0.56	0.66	1.60	0.28	0.63	0.71	0.16	0.36
Trp-Val	ME584094	1.02	1.89	0.72	0.58	1.61	0.43	0.65	0.63	0.34	0.33
Lys-Ile	ME584014	1.75	2.23	0.41	0.65	0.87	0.14	0.50	0.47	0.05	0.22
Ala-Ile	ME583894	1.40	1.83	0.67	0.66	1.06	0.25	0.66	0.79	0.19	0.34
Ala-Thr/Thr-Ala	ME583898	1.51	2.07	0.48	0.72	1.16	0.17	0.53	0.65	0.06	0.22
Val-Gly	ME584104	1.15	2.25	0.55	0.25	0.84	0.21	0.51	0.62	0.09	0.37
Val-Ala	ME583783	1.13	2.19	0.46	0.49	1.40	0.24	0.69	0.50	0.11	0.40
Val-Ser	ME584109	1.06	2.37	0.39	0.34	1.37	0.15	0.53	0.48	0.04	0.15
Val-Trp	ME584110	1.20	2.49	0.43	0.29	1.14	0.08	0.27	0.64	0.02	0.21
Ser-Thr	ME584069	1.28	2.38	0.39	0.46	1.32	0.12	0.39	0.66	0.03	0.38
Ile-Ser/Ser-Leu/Leu-Ser/Thr-Val	ME583985	1.24	2.42	0.33	0.49	1.03	0.21	0.52	0.51	0.04	0.36
Thr-Thr	ME584083	1.42	2.32	0.33	0.31	1.17	0.17	0.47	0.51	0.06	0.47
Thr-Gln	ME584078	1.51	2.06	0.47	0.36	1.24	0.26	0.37	0.76	0.18	0.69
Thr-Phe	ME584081	1.32	2.54	0.34	0.38	1.24	0.16	0.28	1.03	0.23	0.73
PC P-34:2 or PC O-34:3	ME583861	0.40	2.49	0.07	0.06	NA	1.16	0.48	1.22	NA	0.40
PC 34:2	ME584039	0.76	2.01	0.32	0.27	0.17	1.30	0.61	0.89	0.29	1.04
5-hydroxytryptophan	ME583714	0.81	1.96	0.41	0.76	0.09	0.65	1.00	0.80	0.07	0.91
PC 36:2	ME583860	0.68	2.28	0.30	0.57	0.51	0.72	0.57	1.18	0.13	0.93
PE P-34:1 or PE O-34:2	ME583864	0.36	2.78	0.19	0.07	0.04	0.04	0.74	0.67	NA	0.79
PE P-36:2 or PE O-36:3	ME583865	0.16	2.87	0.51	0.02	NA	0.20	0.70	0.53	0.04	0.91
PC P-34:1 or PC O-34:2	ME584044	0.65	2.22	0.10	0.31	0.00	0.12	0.81	1.27	NA	1.33
PC P-36:1 or PC O-36:2	ME584045	0.47	2.24	0.10	0.55	0.00	0.07	0.56	0.80	NA	1.00
Pro-Ala/Ala-Pro	ME584057	0.69	2.59	0.46	0.12	0.62	0.24	0.58	0.12	0.04	0.14
Trp-Thr	ME584091	0.57	2.49	0.03	0.00	0.35	0.22	0.37	0.01	NA	0.11
Met-Lys/Lys-Met	ME584020	1.07	2.81	0.24	0.71	0.44	0.13	0.20	0.83	0.03	0.04
Val-Asn	ME584100	0.78	2.71	0.36	0.52	1.04	0.17	0.28	0.51	0.22	0.28
Val-Gln	ME584102	0.94	2.63	0.49	0.27	0.99	0.08	0.14	0.26	0.01	0.08
Phe-Met	ME584051	0.96	2.33	0.49	0.70	0.56	0.23	0.29	0.65	0.03	0.88
Ala-Gln	ME583891	1.05	1.98	0.34	0.72	0.37	0.14	0.24	0.46	NA	0.04
Lys-Ser	ME584016	1.02	2.26	0.44	0.90	0.20	0.15	0.33	0.67	0.03	0.29
LPC P-18:0 or LPC O-18:1	ME583851	1.12	2.10	0.11	0.78	0.05	0.10	0.70	0.59	NA	0.28
LPE 20:3	ME584010	1.02	2.17	0.12	0.69	0.24	0.14	0.71	0.48	0.00	0.43
LPC 20:2	ME584000	0.96	1.99	0.06	0.70	0.01	0.07	0.53	0.92	NA	0.13
PC P-32:0 or PC O-32:1	ME584042	0.65	1.95	0.20	0.66	0.10	0.20	0.56	0.72	NA	0.42
LPC 18:3	ME583845	1.37	2.51	0.11	0.79	0.14	0.09	0.44	0.34	0.01	0.34
LPC 15:0	ME583998	1.48	2.21	0.08	0.49	NA	0.23	0.54	0.73	0.04	0.37
LPC 16:0	ME583844	1.31	2.47	0.11	0.62	0.32	0.22	0.62	0.72	0.03	0.49
PC O-18:0 (C16-PAF)	ME583848	1.35	2.46	0.10	0.51	0.34	0.19	0.66	0.67	0.01	0.64
PC 34:1	ME584038	0.97	2.50	0.16	0.44	0.20	0.24	0.77	0.94	0.05	0.88
His-Phe	ME583975	0.91	2.43	0.09	0.37	0.15	0.23	0.58	0.24	0.01	0.72
PC 34:3	ME583859	1.03	2.23	0.12	0.42	0.24	0.16	0.60	0.52	0.01	0.81
LPC(P-18:0)/LPC(O-18:1)_B	ME583852	0.74	2.10	0.12	0.61	0.64	0.24	0.79	0.74	NA	0.59
PC O-32:0	ME584041	0.80	2.38	0.16	0.70	0.56	0.16	0.63	0.60	NA	0.46
LPC O-18:0	ME584004	1.03	2.34	0.12	0.74	0.43	0.18	0.60	0.45	NA	0.64
PC 32:0	ME584037	0.92	2.43	0.12	0.56	0.43	0.13	0.64	0.66	NA	0.76
LPC O-16:0	ME584003	0.90	2.57	0.09	0.43	0.21	0.15	0.58	0.57	NA	0.33
LPE P-18:0 or LPE O-18:1	ME584011	0.73	2.68	0.14	0.53	0.27	0.17	0.69	0.72	0.02	0.56
LPE 18:0	ME583857	1.05	2.47	0.12	0.60	0.30	0.14	0.80	0.90	0.01	0.54
PC P-34:0 or PC O-34:1	ME584043	0.83	2.23	0.13	0.59	0.28	0.10	0.77	0.84	NA	0.60
LPE 20:1	ME584009	0.81	2.15	0.10	0.36	0.31	0.08	0.75	0.73	NA	0.34
LPC 20:1	ME583849	0.78	2.26	0.09	0.64	0.17	0.11	0.58	0.72	NA	0.30
LPC P-16:0 or LPC O-16:1	ME583850	0.90	2.35	0.11	0.57	0.25	0.24	0.80	0.73	NA	0.23
Phe-Lys	ME584050	1.90	2.04	0.27	0.74	0.12	0.36	0.36	0.94	0.20	0.56
Lys-Gln	ME584012	1.45	2.43	0.53	1.00	0.27	0.17	0.43	1.03	0.02	0.41
Ala-Lys	ME583895	1.29	2.07	0.58	0.97	0.71	0.18	0.58	0.95	0.06	0.12
Ala-Glu	ME583892	1.37	1.80	0.80	0.89	0.49	0.33	0.53	0.76	0.05	0.60
Ile-Lys	ME583981	1.75	1.80	0.60	0.97	0.56	0.32	0.48	0.99	0.10	0.46
3-(N-Acetyl-L-cystein-S-yl) acetaminophen	ME583881	0.10	3.31	0.30	0.05	0.01	0.26	1.36	0.08	0.06	1.46
Kestose/Maltotriose	ME583991	0.18	3.46	0.48	0.54	0.14	0.42	0.29	0.36	0.25	0.12
Loperamide	ME583996	0.02	2.92	0.20	NA	NA	0.14	0.03	0.01	0.41	0.04
PE P-34:2 or PE O-34:3	ME583863	0.12	2.99	0.45	NA	NA	0.24	0.42	0.09	NA	0.16
Glycocholic acid	ME583768	0.03	2.09	2.29	0.00	0.01	0.04	0.01	0.03	0.02	0.01
Acetaminophen	ME583719	0.13	2.03	1.31	0.07	0.05	0.25	1.06	0.06	0.31	0.34
Daidzein	ME583951	0.72	2.36	1.29	0.18	0.05	0.18	0.23	0.78	0.14	0.09
Glycodeoxycholic acid	ME583769	0.23	2.31	1.15	0.04	0.03	0.16	0.01	0.00	0.26	0.08
D-Urobilinogen	ME583962	3.03	0.37	0.87	0.78	0.28	0.96	0.40	2.46	1.43	0.00
S-Adenosylmethionine	ME584064	2.28	0.57	0.87	0.76	0.11	0.94	0.51	2.34	NA	NA
(E,E)-Trichostachine_a	ME583875	1.62	0.48	1.57	0.51	0.43	1.09	0.49	3.45	0.09	0.23
(E,E)-Trichostachine_b	ME583876	1.04	0.81	1.83	0.40	0.17	1.11	0.34	2.35	0.05	0.12
Arg-Leu	ME583900	4.55	1.25	0.21	0.77	0.35	0.06	0.29	0.60	0.01	0.10
LPC 20:4	ME584002	3.54	1.33	0.04	0.61	NA	0.07	0.28	0.04	NA	0.00
Thr-Tyr	ME584085	3.97	1.71	0.02	0.01	0.01	0.15	0.01	0.01	0.00	0.00
Ala-Met	ME583896	2.94	1.15	0.80	0.73	0.53	0.54	0.31	0.80	0.28	0.12
Deoxyadenosine	ME583705	3.37	0.75	0.97	0.64	0.16	0.53	0.36	0.17	0.05	0.10
Thr-Arg	ME584077	2.29	1.34	0.62	0.49	0.71	0.35	0.66	1.24	0.33	0.02
Val-Arg/Val-Arg	ME584099	2.29	1.35	0.53	1.09	1.20	0.27	0.86	1.09	0.24	0.22
Ala-Arg	ME583890	2.82	1.35	0.40	0.80	0.40	0.29	0.42	1.74	0.16	0.37
Choline phosphate	ME583816	2.92	0.83	0.42	0.73	0.78	0.31	1.12	1.22	NA	0.63
Cer 18:1;O2/20:2	ME583941	2.57	0.79	1.26	1.30	1.36	0.53	0.49	0.05	0.43	0.16
(R)-Salsolinol	ME583825	2.37	0.33	1.13	1.14	0.23	0.75	1.20	0.41	1.06	0.34
Nicotinuric acid	ME583804	2.56	0.09	0.88	0.83	0.67	1.22	1.07	1.33	0.88	NA
Phytosphingosine	ME583869	2.94	0.34	0.72	0.48	1.21	1.23	0.77	0.75	0.83	0.32
CAR 13:0	ME583919	0.53	0.96	0.12	0.04	0.02	1.52	1.71	4.34	0.00	0.22
CAR 12:0	ME583917	0.46	0.95	0.06	0.04	0.08	1.37	2.03	2.65	NA	NA
CAR 12:1	ME583918	0.44	0.47	0.11	0.03	0.04	2.48	2.09	2.02	NA	0.37
CAR 2:0	ME583742	0.29	1.85	0.11	0.05	0.17	0.07	3.14	2.56	0.00	0.02
CAR 14:1	ME583920	0.47	0.83	0.26	0.19	0.28	1.09	3.56	1.87	0.11	0.05
CAR 4:0	ME583745	0.08	1.10	0.23	0.02	0.45	0.27	4.11	2.51	0.00	0.00
CAR 3:0	ME583743	0.13	2.94	0.07	0.08	0.18	0.11	1.97	2.35	0.00	NA
Carnitine	ME583741	0.38	2.11	0.26	0.18	0.95	0.37	1.44	2.56	0.18	1.01
LPC 18:2	ME583846	0.64	1.98	0.27	1.92	0.32	0.85	0.37	3.25	0.12	0.10
LPE 18:2	ME583855	0.50	2.13	0.23	2.64	0.26	0.61	0.34	3.27	0.04	0.12
L-Histidinol	ME583774	2.23	0.44	0.73	2.11	1.84	0.80	0.96	2.99	0.12	0.01
Ectoine	ME583763	0.63	1.05	0.92	1.60	2.43	0.68	1.22	3.17	0.43	0.16
N-6-Trimethyllysine	ME583795	0.68	1.32	0.49	0.60	1.48	0.89	1.46	3.75	0.14	0.34
C22 Sphingosine	ME583914	1.35	0.94	1.21	0.02	0.02	0.49	0.16	3.78	2.64	4.36
LPC 20:3	ME584001	0.75	2.01	0.19	0.58	0.12	0.27	0.26	2.40	NA	4.52
Cerulenin	ME583946	1.39	1.33	0.74	1.07	0.50	0.65	0.67	0.13	0.16	3.71
hemin	ME583973	0.93	2.02	0.07	0.23	0.09	0.49	1.10	0.44	0.01	5.06

Factors:

F1	collectionWeek:0 \| PUCAI_C3_WKall:mild
F2	collectionWeek:0 \| PUCAI_C3_WKall:moderate/severe
F3	collectionWeek:12 \| PUCAI_C3_WKall:inactive
F4	collectionWeek:12 \| PUCAI_C3_WKall:mild
F5	collectionWeek:12 \| PUCAI_C3_WKall:moderate/severe
F6	collectionWeek:4 \| PUCAI_C3_WKall:inactive
F7	collectionWeek:4 \| PUCAI_C3_WKall:mild
F8	collectionWeek:4 \| PUCAI_C3_WKall:moderate/severe
F9	collectionWeek:52 \| PUCAI_C3_WKall:inactive
F10	collectionWeek:52 \| PUCAI_C3_WKall:moderate/severe

Data matrix