Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000546)

(Analysis AN000832)

Metabolite	Structure	F1	F2	F3	F4
3,3^,4^,5,7-Pentahydroxy-8-methoxyflavone	ME160589	0.85	2.07	0.15	0.94
L-Pipecolate	ME160781	0.94	2.21	1.16	0.02
Amurensine	ME160656	0.67	0.88	1.45	NA
Ala-Asp-Gly-Arg	ME160632	0.78	0.88	1.34	NA
Asp-Asp-Gln-Pro	ME160669	0.76	0.84	1.40	NA
O-Phospho-L-serine	ME160851	0.78	0.82	1.40	NA
p-aminobenzoyl glutamate	ME160854	0.94	0.78	1.29	NA
Ala-Leu-Asn-Ser	ME160641	0.91	0.86	1.23	NA
Thiamin monophosphate	ME160923	0.84	0.93	1.23	NA
Ethanolamine phosphate	ME160706	1.01	1.18	1.46	0.02
Thiamin diphosphate	ME160922	1.02	1.14	1.08	0.28
NG,NG-Dimethyl-L-arginine	ME160840	1.05	1.27	1.27	0.11
CDP-ethanolamine	ME160683	1.02	1.07	1.20	0.12
Glu-Glu	ME160726	1.02	1.19	1.11	0.03
Lys-Asn	ME160788	1.08	1.10	0.83	NA
Narceinone	ME160832	1.10	1.10	0.80	NA
5-6-Dihydrouridine	ME160608	1.08	1.04	0.88	NA
Asp-Val-Pro-Ser	ME160677	1.05	1.08	0.88	NA
Ser-Ser	ME160898	1.06	1.08	0.86	NA
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	ME160607	1.00	1.09	0.92	NA
6,7-Dimethyl-8-(1-D-ribityl)lumazine	ME160615	1.07	1.00	0.92	NA
Phe-Thr	ME160877	1.08	0.99	0.93	NA
N-Acetyl-aspartyl-glutamate	ME160826	1.04	1.03	0.94	NA
PS(52:0)	ME160889	1.03	1.05	0.92	NA
Ala-Pro-Ser-Ser	ME160648	1.18	0.94	0.89	NA
Pyridoxamine phosphate	ME160892	1.16	0.93	0.91	NA
Riboflavin	ME160894	1.14	0.89	0.97	NA
serinol phosphate	ME160897	1.17	0.90	0.94	NA
Asn-Asn	ME160657	1.15	0.99	0.86	NA
Isolinderanolide	ME160755	1.21	1.00	0.79	NA
[PI(36:0)	ME160581	1.07	0.94	0.99	NA
Polyoxyethylene dioleate	ME160883	0.99	0.90	1.12	NA
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one	ME160583	1.01	0.93	1.06	NA
Ala-Lys-Asp-Gly	ME160645	0.99	0.95	1.06	NA
Ala-Thr-Thr-Ala	ME160652	0.89	1.01	1.09	NA
Epsilon-(gamma-Glutamyl)-lysine	ME160705	0.84	1.02	1.14	NA
Ala-Ala-Asp-Tyr	ME160625	0.88	1.14	0.97	NA
Thr-Ala-Pro	ME160924	0.90	1.14	0.96	NA
Lys-Gly	ME160789	0.95	1.08	0.97	NA
Glu-Ala-Asp	ME160719	0.95	1.06	0.99	NA
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate	ME160819	0.95	1.07	0.98	NA
Lys-Val	ME160804	0.98	1.02	1.00	NA
Valganciclovir	ME160930	0.98	1.00	1.02	NA
Asn-Thr-Cys-His	ME160665	0.85	1.11	1.04	NA
Glu-Arg	ME160724	0.92	1.06	1.03	NA
Lys-His	ME160791	0.89	1.06	1.05	NA
Ala-Asn-Asn-Asp	ME160628	1.31	0.99	0.69	NA
Lys-Ser-Tyr	ME160801	1.23	1.10	0.68	NA
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine	ME160814	1.17	1.13	0.70	NA
Asn-Asn-Asp	ME160658	1.38	0.83	0.79	NA
Phosphinothricin	ME160878	1.30	0.82	0.88	NA
Phosphonoacetaldehyde	ME160879	1.30	0.91	1.08	0.14
psicoselysine	ME160890	1.27	1.07	0.98	0.04
Ala-Thr-Asp-Asp	ME160651	0.58	1.55	0.87	NA
Glu-Glu-Pro	ME160729	0.63	1.21	1.16	NA
Lys-Gly-His	ME160790	0.54	1.25	1.21	NA
Ile-Ser-Val	ME160750	0.63	1.08	1.17	NA
Asn-Leu-Pro-Pro	ME160662	0.68	1.08	1.24	NA
Ala-Gly-Gly	ME160638	0.68	1.12	1.21	NA
Lys-Thr	ME160802	0.70	1.10	1.19	NA
Asn-Asp-Pro	ME160661	0.76	1.07	1.17	NA
Ala-Ala-Ser	ME160627	0.78	1.10	1.12	NA
N-hydroxy DAP	ME160842	0.79	1.10	1.11	NA
Ala-Gly-Ser	ME160640	0.78	1.19	1.03	NA
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin	ME160571	0.80	1.15	1.05	NA
(S,S)-Np-Histidinylalanine	ME160575	0.81	1.17	1.02	NA
L-Lysine 1,6-lactam	ME160776	0.70	1.17	1.12	NA
Phe-Asp	ME160876	0.75	1.19	1.09	NA
Dihydroclavaminic acid	ME160699	0.76	1.16	1.08	NA
gamma-Glutamyl-gamma-aminobutyraldehyde	ME160710	0.76	1.14	1.10	NA
Ala-Ala-Ala-Asp	ME160624	0.88	1.24	0.88	NA
Ala-Glu-Glu-His	ME160637	0.91	1.22	0.86	NA
Glu-Ala-Glu	ME160720	0.92	1.20	0.88	NA
Glu-Ser-Val	ME160730	0.81	1.27	0.92	NA
O-beta-D-Glucopyranosyl-cis-zeatin	ME160847	0.84	1.26	0.90	NA
Ala-Glu-Gln-Glu	ME160636	0.79	1.25	0.96	NA
Val-Asp-His	ME160929	0.80	1.23	0.97	NA
Asp-Lys-Asp-Pro	ME160673	0.82	1.19	0.98	NA
Glu-Glu-Gln-His	ME160727	0.84	1.21	0.95	NA
Lys-Pro	ME160799	0.84	1.21	0.95	NA
Febrifugine	ME160708	0.92	1.36	0.71	NA
Ile-Lys	ME160747	0.89	1.36	0.75	NA
3-ureidoacrylate	ME160601	0.75	1.41	0.83	NA
Ala-Lys-Lys-Asp	ME160646	0.80	1.33	0.87	NA
Asn-Lys-Gly-Pro	ME160663	0.86	1.31	0.83	NA
Ala-Gly-Pro	ME160639	0.84	1.37	1.09	0.09
Ala-Leu-Trp-Ser	ME160644	0.71	1.35	0.94	NA
Ala-Asp-Pro	ME160634	0.73	1.32	0.94	NA
Temurin	ME160920	0.72	1.33	0.95	NA
Glu-Ala-Val	ME160723	0.68	1.31	1.02	NA
Ala-Asp-Gly-Pro	ME160633	0.61	1.33	1.06	NA
Glu-Ala-Pro	ME160721	0.64	1.31	1.06	NA
Ala-Asn-Pro	ME160629	0.75	1.25	1.00	NA
Dihydrozeatin-O-glucoside	ME160702	0.69	1.26	1.05	NA
Glu-Glu-Lys-Pro	ME160728	0.69	1.23	1.07	NA
(S)-AMPA	ME160574	0.88	1.47	1.07	0.38
Sphinganine	ME160918	1.05	1.51	0.95	0.24
Asn-Pro	ME160664	0.97	1.59	1.28	0.36
Proclavaminic acid	ME160884	1.12	1.42	1.38	0.08
Brunfelsamidine	ME160681	1.00	1.48	1.32	0.20
Gammaglutamylornithine	ME160712	1.07	1.51	1.47	0.22
dihydrothymidine	ME160701	0.95	1.78	1.26	0.01
Ala-Pro	ME160647	1.02	1.82	1.47	0.01
Asn-Asp	ME160660	1.03	1.85	1.36	0.07
L-beta-aspartyl-L-asparticacid	ME160763	1.39	1.59	1.07	0.22
Aspartyl-L-proline	ME160668	1.26	1.79	1.25	0.03
L-beta-aspartyl-L-glutamicacid	ME160764	1.27	1.68	1.16	0.17
N-Carbamyl-L-glutamate	ME160834	1.13	1.72	1.19	0.21
Pyridoxine	ME160893	1.87	1.03	1.20	0.17
N-Carbamoyl-L-aspartate	ME160833	1.60	1.17	1.48	0.07
Choline phosphate	ME160685	1.69	1.15	1.46	0.03
Diacetyl	ME160696	1.72	1.13	1.43	0.04
4-Aminobutanoate	ME160604	1.63	1.13	1.35	0.17
L-Cystine	ME160767	1.55	1.07	1.49	0.17
gamma-L-Glutamyl-L-cysteine	ME160714	1.46	1.48	0.87	0.39
PE(15:0/20:0)	ME160866	1.27	1.32	1.15	0.44
Asp-Leu-Lys-Asp	ME160672	1.18	1.33	1.21	0.47
Glu-Thr	ME160733	1.15	1.32	1.19	0.50
Gamma-Glutamylglutamine	ME160711	1.16	1.33	1.17	0.34
L-beta-aspartyl-L-threonine	ME160765	1.21	1.44	1.25	0.32
Glycerophosphoglycerol	ME160735	1.48	1.20	1.11	0.20
sn-glycero-3-Phospho-1-inositol	ME160916	1.29	1.24	1.01	0.20
2-Aminoacrylate	ME160587	1.49	1.05	1.29	0.17
Piperidine	ME160882	1.50	1.13	1.31	0.29
Trp-Trp-Tyr-Tyr	ME160926	1.46	1.19	1.27	0.31
PE(38:0)	ME160871	1.21	1.20	1.32	0.27
Lys-Ser	ME160800	1.32	1.31	1.33	0.28
PE(24:1(15Z)/15:0)	ME160868	1.34	1.30	1.31	0.29
CDP-choline	ME160682	1.41	1.39	1.20	0.24
PS(36:3)	ME160888	1.45	1.28	1.24	0.27
Choline	ME160684	1.58	0.65	0.76	1.01
Ile-Lys-Ser	ME160749	1.43	0.70	1.30	0.67
N2-Fructopyranosylarginine	ME160818	1.29	0.68	1.13	0.69
Kievitone hydrate	ME160758	1.12	0.87	1.45	0.67
Asp-Cys-Cys-Ser	ME160670	1.37	0.95	1.30	0.53
N2-(D-1-Carboxyethyl)-L-lysine	ME160816	1.32	0.93	1.31	0.58
FA oxo(19:0)	ME160707	1.43	1.18	1.00	0.54
PC(40:5)	ME160863	1.38	1.20	1.03	0.54
NAD+	ME160830	1.28	1.19	1.02	0.64
PS(36:2)	ME160887	1.30	1.15	1.11	0.58
S-Adenosyl-L-methionine	ME160895	1.48	1.10	1.13	0.47
[FA oxo(21:0)] 2-oxo-heneicosanoic acid	ME160577	1.52	1.03	0.97	0.61
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole	ME160933	1.43	1.04	1.08	0.59
Ala-Ala-Gln-Ser	ME160626	1.10	1.24	1.11	0.66
L-gamma-glutamyl-L-isoleucine	ME160769	1.06	1.16	1.08	0.78
Corydaline	ME160688	1.20	0.85	1.23	0.79
Montecristin	ME160810	1.11	1.06	1.33	0.63
PS(34:0)	ME160886	1.15	1.01	1.24	0.71
Cohibin A	ME160686	1.12	0.97	1.13	0.78
Ala-Asp-Cys-Ser	ME160631	1.29	0.97	1.08	0.74
5^-Methylthioadenosine	ME160613	1.22	1.05	1.06	0.76
epsilon-aminocaproamide	ME160569	1.26	1.03	1.12	0.70
PE(38:1)	ME160872	1.20	1.07	1.15	0.68
Ala-Leu-Lys-Asp	ME160642	1.04	0.94	1.10	0.94
Met-Ser	ME160809	0.96	0.90	1.05	1.07
Procollagen 5-(D-galactosyloxy)-L-lysine	ME160885	0.92	0.95	1.13	1.00
PC(32:1)	ME160857	1.04	1.04	1.02	0.92
PE(32:1)	ME160869	1.06	1.09	0.98	0.91
Asn-Val-Asn-Asn	ME160666	1.13	0.98	1.00	0.92
Thiamin	ME160921	1.14	1.04	0.94	0.91
4-Aminobutanal	ME160603	1.24	0.98	0.93	0.89
N6,N6,N6-Trimethyl-L-lysine	ME160823	1.16	1.11	0.85	0.91
PC(34:1)	ME160858	0.98	0.94	0.88	1.15
PC(40:6)	ME160864	1.05	0.95	0.86	1.10
DG(P-32:1)	ME160695	1.09	1.06	0.76	1.07
PC(30:0)	ME160856	1.04	1.03	0.85	1.06
PC(38:5)	ME160862	1.05	1.03	0.88	1.03
6-Hydroxyl-1,6-dihydropurine ribonucleoside	ME160618	1.01	1.09	0.82	1.07
Ala-Asp-Asp	ME160630	1.02	1.08	0.85	1.04
3-nitro-2-pentanol	ME160599	1.08	0.86	0.98	1.06
Ne,Ne dimethyllysine	ME160836	1.08	0.95	0.95	1.02
Acetone cyanohydrin	ME160620	1.10	0.78	0.90	1.17
Ala-Asp-Ser	ME160635	1.15	0.86	0.86	1.10
Glu-Ala-Ser	ME160722	1.19	0.83	0.82	1.12
Isovalerylglutamicacid	ME160757	0.85	1.24	1.03	0.64
GDP-3,6-dideoxy-D-galactose	ME160717	0.96	1.18	0.99	0.90
Glu-Asp-Val	ME160725	0.77	1.30	0.97	0.90
Cytidine	ME160691	0.84	1.20	1.05	0.86
GMP	ME160736	0.79	1.26	1.13	0.87
Guanine	ME160737	0.67	1.16	1.32	0.89
Asp-Thr-Cys-Cys	ME160676	0.87	1.05	1.34	0.81
Nicotinamide	ME160843	0.96	1.06	1.30	0.76
Dieporeticenin	ME160698	0.62	0.69	0.86	3.46
Glycerone phosphate	ME160734	0.19	0.18	0.25	2.79
Ile-Cys-Gly	ME160746	0.36	0.28	0.23	2.60
2,3-Dimethylmaleate	ME160585	0.21	0.24	0.28	2.70
6-deoxy-5-ketofructose-1-phosphate	ME160617	0.27	0.25	0.29	2.63
L-proline amide	ME160783	0.29	0.26	0.65	2.34
3-Methyl-2-oxobutanoic acid	ME160597	0.29	0.18	0.35	2.46
2-Oxobutanoate	ME160588	0.29	0.23	0.31	2.45
3-deoxy-D-galactose	ME160594	0.29	0.20	0.29	2.49
Aloesin	ME160654	0.31	0.22	0.25	2.49
Ile-Ala	ME160745	0.35	0.37	0.40	2.41
IMP	ME160751	0.34	0.34	0.41	2.43
N6-Acetyl-L-lysine	ME160824	0.34	0.31	0.43	2.44
AMP	ME160655	0.30	0.39	0.34	2.49
O-Propanoylcarnitine	ME160853	0.27	0.39	0.38	2.46
[FA (5:2)] 2,4-pentadienoic acid	ME160576	0.29	0.36	0.38	2.48
L-Citrulline	ME160766	0.28	0.35	0.40	2.48
Benzene-1,2,4-triol	ME160680	0.31	0.29	0.34	2.54
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	ME160568	0.38	0.28	0.37	2.48
ADP	ME160622	0.36	0.35	0.28	2.51
3-Ethylmalate	ME160595	0.40	0.34	0.33	2.44
D-erythro-D-galacto-octitol	ME160693	0.39	0.34	0.31	2.47
GDP-L-fucose	ME160718	0.54	0.34	0.37	2.31
PE(P-38:5)	ME160874	0.44	0.41	0.33	2.36
N-Acetyl-D-glucosamine	ME160827	0.38	0.44	0.33	2.39
dibenzothiophene-5-oxide	ME160697	0.40	0.40	0.35	2.39
Slaframine	ME160899	0.40	0.38	0.36	2.39
Leu-Pro	ME160768	0.46	0.40	0.40	2.30
L-Ornithine	ME160779	0.44	0.42	0.39	2.31
N-acetyl -D- glucosaminitol	ME160825	0.46	0.43	0.34	2.32
PE(P-40:5)	ME160875	0.47	0.44	0.37	2.29
Hypaphorine	ME160743	0.35	0.43	0.41	2.36
4-(Trimethylammonio)but-2-enoate	ME160602	0.37	0.45	0.39	2.34
Hydroxybutyrylcarnitine	ME160742	0.38	0.45	0.40	2.33
4-Trimethylammoniobutanoate	ME160606	0.42	0.40	0.40	2.34
6-Acetyl-D-glucose	ME160616	0.41	0.39	0.40	2.35
N-Ethylmaleimide	ME160837	0.42	0.44	0.44	2.27
(S)-1-Pyrroline-5-carboxylate	ME160572	0.40	0.42	0.43	2.31
(S)-2-Acetolactate	ME160573	0.40	0.42	0.43	2.31
N5-acetyl-N5-hydroxy-L-ornithine	ME160822	0.35	0.32	0.50	2.37
N-Formyl-L-methionine	ME160839	0.31	0.35	0.45	2.25
Ophthalmicacid	ME160852	0.33	0.37	0.45	2.39
Methacholine	ME160807	0.35	0.42	0.45	2.34
Creatine	ME160689	0.31	0.42	0.42	2.38
O-Palmitoyl-R-carnitine	ME160850	0.31	0.42	0.46	2.36
Hercynine	ME160739	0.35	0.41	0.52	2.29
O-Butanoylcarnitine	ME160848	0.31	0.50	0.46	2.30
5-Acetamidopentanoate	ME160609	0.31	0.47	0.47	2.31
Oleoylcarnitine	ME160849	0.32	0.46	0.46	2.31
P-DPD	ME160865	1.00	0.43	0.48	1.81
D-Erythrose 4-phosphate	ME160694	0.85	0.50	0.35	1.99
sn-glycero-3-Phosphocholine	ME160917	0.83	0.50	0.49	1.89
L-Alanine	ME160760	0.61	0.63	0.54	1.91
Pantothenate	ME160855	0.61	0.60	0.52	1.95
Avenic acid A	ME160679	0.60	0.65	0.62	1.85
L-Asparagine	ME160762	0.66	0.62	0.57	1.86
L-Tyrosine	ME160787	0.67	0.60	0.63	1.82
Nicotinate D-ribonucleoside	ME160845	0.75	0.64	0.53	2.07
Glutathione	ME160731	0.66	0.63	0.37	2.00
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	ME160582	0.67	0.62	0.43	1.96
Pyridoxal	ME160891	0.63	0.45	0.48	1.95
GDP	ME160716	0.60	0.51	0.52	2.03
Mycosporine	ME160812	0.58	0.51	0.48	2.07
Asn-Asn-Gln-Ser	ME160659	0.70	0.48	0.47	2.01
gamma-Glutamyl-Se-methylselenocysteine	ME160713	0.68	0.49	0.49	2.00
Lys-Thr-Ser	ME160803	0.65	0.55	0.44	2.02
Neuraminic acid	ME160838	0.68	0.54	0.45	2.00
Asp-Gly-Arg	ME160671	0.66	0.53	0.51	1.97
Furfural	ME160709	0.63	0.53	0.51	2.00
Convicine	ME160687	0.63	0.54	0.48	2.01
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))	ME160867	0.65	0.54	0.48	2.00
Glutathione disulfide	ME160732	0.57	0.33	0.63	2.10
LysoPE(20:0)	ME160798	0.50	0.56	0.48	2.10
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME160586	0.44	0.54	0.51	2.13
LysoPC(16:0)	ME160792	0.46	0.57	0.53	2.09
Stearoylcarnitine	ME160919	0.45	0.58	0.55	2.06
Creatinine	ME160690	0.45	0.37	0.39	2.20
3-propylphosphoenolpyruvate	ME160600	0.47	0.47	0.44	2.22
Urocanate	ME160928	0.45	0.48	0.45	2.21
L-Phenylalanine	ME160780	0.50	0.43	0.45	2.22
SM(d36:2)	ME160903	0.47	0.44	0.44	2.24
Heme	ME160738	0.50	0.50	0.39	2.20
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	ME160596	0.50	0.48	0.45	2.17
Vinylacetylglycine	ME160932	0.51	0.49	0.42	2.18
3,5/4-Trihydroxycyclohexa-1,2-dione	ME160591	0.52	0.38	0.44	2.25
Met-Ala-Gly	ME160806	0.44	0.39	0.48	2.27
3-Butynoate	ME160592	0.46	0.42	0.52	2.20
Hypoxanthine	ME160744	0.48	0.40	0.49	2.22
Methyl 2-diazoacetamidohexonate	ME160808	0.49	0.46	0.35	2.11
S-Cysteinosuccinic acid	ME160896	0.66	0.47	0.41	2.10
EPC(d38:1)	ME160704	0.57	0.49	0.41	2.15
PE(P-36:3)	ME160873	0.59	0.48	0.39	2.15
EPC(d35:1)	ME160703	0.56	0.52	0.42	2.12
SM(d40:2)	ME160907	0.54	0.52	0.45	2.12
SM(d42:1)	ME160910	0.55	0.53	0.45	2.10
PC(34:2)	ME160859	0.42	0.51	1.18	1.67
5-Hydroxytryptophan	ME160612	0.66	0.59	0.99	1.57
Inosine	ME160754	0.58	0.56	0.97	1.66
Histidinyl-Histidine	ME160741	1.00	0.90	0.84	1.78
5-Guanidino-2-oxopentanoate	ME160611	0.74	0.72	0.98	1.42
dCMP	ME160692	0.76	0.73	0.78	1.55
L-Threonine	ME160785	0.79	0.74	0.82	1.49
LysoPC(18:1(9Z))	ME160793	0.64	0.81	0.86	1.51
SM(d38:1)	ME160904	0.69	0.82	0.77	1.54
SM(d33:1)	ME160901	0.82	0.90	0.65	1.47
SM(d41:1)	ME160908	0.78	0.90	0.72	1.45
Ala-Val-Asp-Ser	ME160653	0.83	0.78	0.81	1.43
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine	ME160579	0.87	0.83	0.72	1.43
Asp-Arg	ME160667	0.81	0.81	0.73	1.49
PE(34:3)	ME160870	0.83	0.82	0.74	1.46
N2-Acetyl-L-aminoadipate	ME160817	0.81	0.95	0.78	1.34
N-Ribosylhistidine	ME160846	0.78	0.94	0.76	1.39
PC(38:4)	ME160861	0.92	0.85	0.74	1.38
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	ME160578	0.89	0.92	0.72	1.35
Nicotinamide D-ribonucleotide	ME160844	0.87	0.90	0.71	1.40
1H-Imidazole-4-ethanamine	ME160584	0.88	0.61	0.69	1.61
L-2-Aminoadipate	ME160759	0.89	0.63	0.77	1.53
4-Hydroxy-4-methylglutamate	ME160605	1.00	0.69	0.60	1.53
Ala-Leu-Thr-Ala	ME160643	0.83	0.73	0.72	1.54
SM(d42:2)	ME160911	0.80	0.73	0.68	1.58
Hexylamine	ME160740	0.86	0.74	0.65	1.56
L-Glutamine	ME160772	0.84	0.72	0.65	1.59
Adenine	ME160621	0.86	0.80	0.65	1.52
Ala-Thr-Ala-Ser	ME160650	0.87	0.77	0.67	1.52
PI(34:0)	ME160880	0.94	0.74	0.62	1.52
SM(d39:1)	ME160906	0.92	0.77	0.61	1.53
L-gamma-glutamyl-L-valine	ME160770	0.93	0.94	0.76	1.27
L-Lysine	ME160775	0.91	0.98	0.84	1.21
N2-(D-1-Carboxyethyl)-L-arginine	ME160815	0.94	0.79	0.94	1.24
Ala-Thr-Ala-Asp	ME160649	0.87	0.90	0.88	1.26
L-Histidine	ME160773	0.92	0.84	0.85	1.29
aeruginosin A	ME160623	1.23	0.79	0.68	1.22
UDP	ME160927	1.15	0.78	0.73	1.25
LysoPC(O-18:0)	ME160797	1.00	0.79	0.76	1.34
L-Arginine	ME160761	1.08	0.74	0.65	1.40
NADP+	ME160831	1.03	0.71	0.73	1.40
LysoPC(22:5)	ME160796	0.62	1.01	0.81	1.65
gamma-thiomethyl glutamate	ME160570	0.48	0.78	0.78	1.72
[PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine	ME160580	0.52	0.68	0.73	1.80
L-Methionine S-oxide	ME160778	0.59	0.46	0.77	1.89
LysoPC(20:4)	ME160795	0.59	0.52	0.74	1.87
Asp-Met-Asp-Gly	ME160674	0.62	0.64	0.87	1.74
5-Aminolevulinate	ME160610	0.68	0.57	0.78	1.73
L-Leucine	ME160774	0.68	0.58	0.76	1.73
Asp-Ser-Ser	ME160675	0.61	0.58	0.75	1.79
L-Methionine	ME160777	0.64	0.54	0.73	1.82
N-(L-Arginino)succinate	ME160813	0.92	0.62	0.53	1.70
3-Methyleneoxindole	ME160598	0.79	0.66	0.59	1.72
PI(34:1)	ME160881	0.85	0.67	0.53	1.72
Isoquinoline	ME160756	0.76	0.55	0.50	1.71
Muramic acid	ME160811	0.71	0.65	0.50	1.85
N-dimethylethanolamine	ME160835	0.76	0.65	0.53	1.80
ATP	ME160678	0.80	0.58	0.53	1.82
Vicine	ME160931	0.80	0.62	0.49	1.82
SM(d41:2)	ME160909	0.74	0.90	0.66	1.52
SM(d18:2/24:1)	ME160900	0.76	0.81	0.65	1.59
SM(d44:2)	ME160915	0.73	0.85	0.65	1.58
SM(d34:1)	ME160902	0.73	0.88	0.62	1.58
SM(d43:1)	ME160912	0.72	0.86	0.61	1.61
Ile-Lys-Pro	ME160748	0.71	0.75	0.62	1.68
SM(d38:2)	ME160905	0.72	0.80	0.60	1.66
N-Acetyllactosamine	ME160828	0.61	0.83	0.64	1.69
SM(d44:1)	ME160914	0.66	0.85	0.64	1.65
N-Acetyl-L-phenylalanine	ME160829	0.72	0.68	0.82	1.59
Dihydroferuloylglycine	ME160700	0.70	0.64	0.79	1.65
L-Proline	ME160782	0.67	0.66	0.84	1.63
3-Carbamoyl-2-phenylpropionaldehyde	ME160593	0.65	0.74	0.74	1.65
N4-(Acetyl-beta-D-glucosaminyl)asparagine	ME160820	0.68	0.76	0.70	1.65
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha -D- ribofuranosyl 5-phosphate]-D-ribitol	ME160619	0.66	0.66	0.72	1.73
LysoPC(18:3(6Z,9Z,12Z))	ME160794	0.61	0.67	0.70	1.67
Indoleacrylicacid	ME160753	0.72	0.64	0.67	1.72
L-Tryptophan	ME160786	0.73	0.63	0.64	1.75
SM(d43:2)	ME160913	0.67	0.69	0.66	1.73
PC(36:4)	ME160860	0.71	0.68	0.63	1.73
N5-(L-1-Carboxyethyl)-L-ornithine	ME160821	0.70	0.65	0.65	1.75
Thr-Trp-Cys	ME160925	0.69	0.67	0.64	1.75
5-Nitro-2-(3-phenylpropylamino)benzoic acid	ME160614	0.73	0.69	0.56	1.77
MES	ME160805	0.68	0.68	0.57	1.80
3,4-Dihydroxy-L-phenylalanine	ME160590	0.81	0.67	0.68	1.62
L-Glutamate	ME160771	0.77	0.70	0.70	1.62
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	ME160715	0.75	0.66	0.74	1.64
L-Serine	ME160784	0.75	0.67	0.69	1.66
Indole	ME160752	0.77	0.61	0.70	1.69
N-Glycosyl-L-asparagine	ME160841	0.78	0.57	0.66	1.74

Factors:

F1	Artemisinin resistant:Resistant \| PfKelch13 mutation:C580Y
F2	Artemisinin resistant:Resistant \| PfKelch13 mutation:R539T
F3	Artemisinin resistant:Sensitive \| PfKelch13 mutation:WT
F4	Artemisinin resistant:Uinfected red blood cells \| PfKelch13 mutation:Control

Data matrix