Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003179)

(Analysis AN005221)

Metabolite	Structure	F1	F2	F3	F4
LysoPS(18:2)	ME830432	NA	1.06	0.88	1.06
Se-Adenosylselenohomocysteine	ME830325	NA	1.23	0.34	0.99
benzoyl cyanide	ME830992	NA	1.13	0.67	0.95
N-Acetylisatin	ME830317	NA	1.16	0.53	0.99
Glu/Pro/Val	ME830557	1.23	0.40	1.11	0.37
Ala/Met/Met/His	ME830599	1.04	0.72	1.04	NA
Cys/Lys/Arg/Thr/Trp	ME830603	1.23	0.33	0.92	NA
Asp/His/His/Lys/Met	ME830578	1.28	0.60	0.76	NA
Gly/Pro/Arg	ME830579	1.20	0.51	0.89	NA
Ala/Cys/His/Lys/Ser	ME830561	1.47	0.21	0.90	0.22
Asn/Glu/Ile/Tyr	ME830618	1.62	0.35	0.85	0.26
Ile/Gly/Val	ME830737	1.59	0.23	0.94	0.36
Guanosine monophosphate	ME830531	1.74	NA	0.52	0.24
Phe/Thr/Pro	ME830565	1.80	0.14	0.51	0.12
Ala/Arg/Val/Tyr/Tyr	ME830753	1.62	0.17	0.73	0.17
Ala/Leu/Gly/Pro	ME830560	1.65	0.34	0.60	0.27
His/Phe	ME830562	1.66	0.27	0.61	0.25
6-O-Methylarmillaridin	ME830949	1.23	NA	0.08	NA
Cys/Cys/Cys/Asp/Gly	ME830607	1.25	NA	0.01	NA
Thr/Pro/Glu/Glu	ME830577	1.47	NA	0.37	NA
Asp/Pro/Val/Asn	ME830589	1.48	NA	0.36	NA
Ile/Pro/Ser	ME830606	1.48	NA	0.36	NA
Ala/Lys/Asn/Arg/Ser	ME830569	1.39	NA	0.22	NA
Glu/Ile/Gln/Gln	ME830584	1.41	NA	0.19	NA
Glu/Ile/Ile/Gln/Trp	ME830609	1.30	NA	0.39	NA
Met/Met/Met/Pro	ME830583	1.33	NA	0.34	NA
Ala/Asn/Ser/Tyr/Tyr	ME830576	1.34	NA	0.31	NA
Arg/Trp/Gln/Arg	ME830563	1.34	NA	0.32	NA
Ala/Ala/Glu/Ile/Gln	ME830559	1.33	NA	0.82	0.24
Ala/Lys/Gln/Thr/Tyr	ME830558	1.29	NA	0.83	0.33
Met/Met/Thr	ME830601	1.44	0.35	0.62	NA
Ala/Pro/Pro	ME830602	1.46	0.23	0.65	NA
Arg/Tyr	ME830610	1.46	0.18	0.65	NA
Glu/Gln	ME830604	1.16	NA	0.79	NA
Lys/Asp/Pro	ME830573	1.12	NA	0.84	NA
Lys/Trp/Val/Gly	ME830581	1.12	NA	0.52	NA
Glu/Ala/Gln/Pro	ME830570	1.35	NA	0.53	NA
Gln/Gln/Gln/Gln	ME830612	1.34	NA	0.55	NA
Gln/Gly/Pro/Pro	ME830585	1.34	NA	0.55	NA
His/His/Lys/Met/Val	ME830615	1.39	NA	0.48	NA
Cys/Phe/Pro/Arg/Arg	ME830616	1.37	NA	0.50	NA
Trp/Gly	ME830608	1.38	NA	0.50	NA
Asn/Leu/Thr/Pro	ME830594	1.27	NA	0.64	NA
Glu/Glu/Phe/Phe/Arg	ME830597	1.28	NA	0.62	NA
Ala/Cys/His/His/Lys	ME830598	1.27	NA	0.63	NA
Ala/Asp/Gln/Pro	ME830596	1.28	NA	0.63	NA
Glu/His	ME830614	1.28	NA	0.63	NA
Ile/Phe/Thr/Pro	ME830574	1.32	NA	0.57	NA
Lys/Gly	ME830593	1.32	NA	0.57	NA
Glu/Glu/Glu/Lys/Trp	ME830595	1.31	NA	0.59	NA
Ile/Met/Ser/Thr/Tyr	ME830591	1.30	NA	0.61	NA
Glu/Glu/Met/Ser	ME830590	1.30	NA	0.60	NA
Val/Leu/Gly/Ala	ME830611	1.30	NA	0.60	NA
Asn/Glu/Ile/Ser	ME830567	1.18	NA	0.76	NA
Glu/Glu/Gln/Ile	ME830582	1.19	NA	0.75	NA
Val/Pro/His	ME830571	1.20	NA	0.73	NA
Lys/Gly/His	ME830605	1.21	NA	0.72	NA
Pro/Glu/Asn/Phe	ME830588	1.21	NA	0.72	NA
Ala/Asp/Met/Pro/Val	ME830575	1.26	NA	0.66	NA
Ala/Glu/Asn/Ile	ME830587	1.26	NA	0.65	NA
Pro/Glu/Asn	ME830580	1.25	NA	0.66	NA
Asn/Asn/Ser/Tyr	ME830600	1.25	NA	0.67	NA
Asp/Phe/Phe/Pro/Pro	ME830613	1.25	NA	0.67	NA
His/Ile/Met/Met/Thr	ME830592	1.24	NA	0.68	NA
Val/Asp/Asp	ME830566	1.22	NA	0.70	NA
Ala/Asp/Pro/His	ME830586	1.23	NA	0.69	NA
Ala/Lys/Ala/Gln	ME830572	1.23	NA	0.70	NA
Mercaptoethanol	ME831050	2.04	0.53	0.51	0.57
2-(N-Methyl-perfluorooctane sulfanamido) acetic acid	ME830953	1.54	0.69	0.45	0.78
Ile/Gly/Met	ME830552	1.53	0.46	0.33	0.77
Pro/Pro/Val/Gln	ME830777	2.61	0.03	0.79	0.03
Adenosine monophosphate	ME830548	2.52	0.19	0.62	0.17
Val/Pro/Pro	ME830644	2.55	0.12	0.69	0.12
Cys/Lys/Pro/Pro	ME830639	2.18	0.36	0.65	0.41
Ala/Glu/Lys/Pro/Pro	ME830640	2.25	0.20	0.60	0.27
Val/Pro	ME830902	2.41	0.33	0.52	0.27
Glu/Pro/Glu	ME830628	2.15	0.19	1.10	0.17
Pro/Glu	ME830924	2.19	0.17	1.07	0.17
Pro/His	ME830744	2.21	0.16	1.08	0.14
LysoPI(13:0)	ME830414	2.21	0.25	0.98	0.16
Gly/Pro/Pro	ME830774	2.19	0.22	0.99	0.20
Phe/Asn	ME830869	2.20	0.18	1.02	0.21
Asp/His/Ser/Ser/Ser	ME830754	2.24	0.19	0.94	0.21
Asn/Leu/Gly/Pro	ME830637	2.25	0.16	1.00	0.17
Gly/Leu	ME830791	2.30	0.16	0.95	0.16
Pro/Ala/Asp	ME830564	2.22	0.12	0.84	0.12
Lys/His	ME830703	2.24	0.24	0.86	0.24
Ala/His	ME830818	2.35	0.18	0.89	0.13
Ile/Asn	ME830709	2.32	0.19	0.85	0.20
Ala/Asp/Phe/Pro/Trp	ME830631	2.30	0.18	0.91	0.18
Val/Val	ME830824	2.31	0.18	0.89	0.18
Asn/Gly/Pro/Pro	ME830779	2.36	0.08	1.04	0.07
His/Val/Asp/Asp	ME830652	2.33	0.09	1.06	0.08
Ala/Met/Met/Pro	ME830797	2.31	0.10	1.04	0.11
Lys/Pro	ME830859	2.32	0.12	1.03	0.10
Pro/Asp	ME830939	2.30	0.13	1.01	0.12
Val/Lys	ME830801	2.33	0.12	1.00	0.11
Ala/Pro	ME830936	2.28	0.09	1.12	0.09
Thr/Pro/Thr	ME830678	2.25	0.09	1.15	0.10
Ala/Val/Gly/Pro	ME830828	2.35	0.04	1.11	0.04
Pro/Val/Asn/Phe	ME830914	2.31	0.05	1.16	0.05
Pro/Trp/Thr	ME830646	2.50	0.08	0.86	0.06
Pro/Val/Asn	ME830655	2.41	0.12	0.86	0.14
Leu/His	ME830771	2.42	0.09	0.90	0.11
platensimycin	ME831043	2.42	0.12	0.88	0.11
Phe/Gly	ME830783	2.37	0.11	0.95	0.12
Leu/Leu/Pro/Ser	ME830840	2.41	0.06	1.00	0.06
Ile/Ala	ME830896	2.40	0.08	0.96	0.10
Pro/Trp	ME830817	2.41	0.08	0.97	0.07
Ala/Met/Thr/Ser	ME830878	1.97	0.22	1.30	0.19
Val/Gly/Pro	ME830661	2.06	0.21	1.18	0.20
Asn/Leu/Met/Ser	ME830642	2.12	0.19	1.15	0.16
Pro/Asn	ME830917	2.10	0.17	1.20	0.16
Ala/Leu/Met/Ser/Thr	ME830647	2.20	0.07	1.27	0.07
Ile/Met/Ser/Tyr	ME830620	2.20	0.14	1.15	0.11
Pro/Thr	ME830933	2.16	0.12	1.22	0.11
Ala/Cys/Cys/Cys/Asn	ME830825	1.93	0.47	0.86	0.43
Val/His	ME830862	1.96	0.48	0.80	0.44
Ala/Asp/Lys/Val/Tyr	ME830742	2.13	0.37	0.80	0.33
Ala/Asn/Pro/Pro	ME830676	2.00	0.39	0.85	0.43
Thr/Val	ME830819	2.04	0.40	0.78	0.42
Pro/Ala/Glu/Phe	ME830720	1.97	0.42	0.92	0.38
ADP	ME830387	2.02	0.41	0.87	0.37
Thr/Lys	ME830648	2.06	0.39	0.85	0.35
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid	ME830959	2.07	0.36	0.89	0.33
Deoxycytidine	ME830541	2.02	0.39	0.91	0.34
Mimosine	ME830974	2.07	0.26	0.97	0.34
Pipecolic acid	ME830358	2.10	0.35	0.93	0.25
Piperidine	ME831093	2.11	0.28	0.98	0.26
Val/Gly	ME830714	2.12	0.28	0.97	0.26
Phe/Gly/His	ME830630	1.91	0.25	1.00	0.28
Vindoline	ME830371	1.97	0.27	0.88	0.33
Leu/Pro	ME830907	1.96	0.35	1.14	0.24
Glu/Glu/Lys/Pro	ME830692	1.93	0.35	1.13	0.28
Pro/Pro/Ser	ME830696	1.93	0.31	1.16	0.28
Ala/Trp/Pro/Pro	ME830629	2.01	0.28	1.13	0.23
Ala/Leu/Cys/Gln	ME830693	2.04	0.31	1.06	0.25
Asn/Val/Asp/Gln	ME830636	2.00	0.33	1.06	0.28
Glu/Glu/Glu/Ile/Met	ME830626	1.95	0.45	1.02	0.27
Ala/Ala/Glu/Trp/Trp	ME830812	1.94	0.28	1.08	0.38
Ethyl carbamate	ME831028	1.96	0.34	1.04	0.34
Lysine	ME830345	1.99	0.36	0.97	0.34
Pro/Tyr	ME830768	1.97	0.36	0.98	0.38
Thr/Thr/Thr	ME830760	1.95	0.37	1.00	0.36
Tyr/His	ME830657	2.09	0.10	0.74	0.10
Ala/Lys/Ala/Ala	ME830634	1.90	0.13	0.97	0.12
Pro/Ala/Glu	ME830568	1.86	0.11	0.75	0.10
Glu/Ile/Lys/Pro/Arg	ME830635	1.58	0.36	1.55	0.32
Guanosine	ME830534	1.44	0.38	1.70	0.34
Mayolene-20	ME831010	1.64	0.80	0.70	0.65
Polyoxyethylene dioleate	ME830998	1.72	0.71	0.79	0.54
Cys/Phe/His/His/Asn	ME830734	1.46	0.45	1.37	0.57
His/His/His/Lys/Gln	ME830719	1.53	0.49	1.31	0.49
3-(Cystein-S-yl)acetaminophen	ME831092	1.43	0.59	1.31	0.53
Asp/Ile/Lys/Lys/Ser	ME830645	1.45	0.64	1.27	0.49
5^-Methylthioadenosine	ME830359	1.31	0.64	1.33	0.60
20-hydroxy-prefusarin	ME830952	1.37	0.68	1.26	0.58
Tyr/Tyr	ME830884	1.36	0.63	1.28	0.61
Asp/Asp/Ile/Lys/Pro	ME830815	1.49	0.60	1.13	0.62
"1,2-Dihydroxy-3-keto-5-methylthiopentene"	ME830319	1.46	0.60	1.15	0.63
Ala/Ala/Asn/Gln	ME830749	1.48	0.60	1.16	0.60
Trp/Val	ME830659	1.42	0.67	1.23	0.54
AK toxin I	ME831008	1.45	0.62	1.19	0.59
Arg-OEt	ME831156	1.43	0.62	1.23	0.57
Ala/Phe/Ala/Ala	ME830931	1.52	0.62	1.15	0.54
His/Lys/Trp/Ser	ME830780	1.55	0.59	1.16	0.51
Ala/Leu/Val/Ser	ME830650	1.60	0.50	1.21	0.50
Gly/Pro	ME830864	1.53	0.54	1.20	0.55
PHODiA-PG	ME831007	1.54	0.55	1.24	0.50
His/Ile/Met/Met/Trp	ME830622	1.80	0.36	1.19	0.38
Ala/Asp/Gly/Arg	ME830857	1.82	0.39	1.16	0.36
Thr/Gly	ME830664	1.80	0.40	1.15	0.38
Homo-L-arginine	ME830307	1.87	0.38	1.13	0.34
Leu/Asn/Gly	ME830701	1.84	0.38	1.18	0.32
Arg/Asp/Gly/Ser	ME830838	1.77	0.46	1.08	0.44
Cys/Thr/Thr/Thr	ME830653	1.76	0.44	1.09	0.45
Asp/Asp/Gln/Pro	ME830621	1.79	0.49	1.02	0.43
Lys/Pro/Pro	ME830705	1.81	0.45	1.04	0.43
Asn/His	ME830700	1.86	0.41	0.96	0.47
Ile/Thr	ME830827	1.85	0.45	0.98	0.44
Phe/Ala	ME830837	1.88	0.45	0.97	0.41
O-methylandrocymbine	ME830372	1.82	0.38	1.09	0.44
3-nitro-2-butanol	ME830979	1.84	0.39	1.03	0.46
Phe/Pro/His	ME830708	1.88	0.39	1.01	0.43
Ala/Val/Ser/Ser	ME830751	1.91	0.39	1.03	0.36
Pro/Val/Gln/Ala	ME830912	1.86	0.39	1.06	0.39
Val/Val/Tyr/Pro	ME830852	1.87	0.41	1.03	0.40
Pro/Asn/Ala	ME830556	1.61	0.31	1.14	0.27
Leu/Gly/Pro	ME830553	1.65	0.30	1.22	0.42
Deoxyadenosine monophosphate	ME830544	1.75	0.40	1.26	0.35
quinocarcin	ME830957	1.72	0.43	1.24	0.37
Glu/Ile/Pro/Pro	ME830802	1.65	0.45	1.27	0.41
Thr/Thr/Thr/Thr	ME830785	1.68	0.43	1.21	0.46
Ala/Tyr	ME830688	1.82	0.53	0.96	0.42
2-nitro-1-propanol	ME830960	1.73	0.61	0.95	0.46
Ala/Gln	ME830689	1.75	0.56	0.93	0.51
Leu/Pro/Ser	ME830554	1.79	0.45	0.87	0.43
Ile/Pro/Pro	ME830716	1.82	0.49	0.75	0.58
Thiamine pyrophosphate	ME830385	1.82	0.50	0.90	0.51
Cohibin A	ME830987	1.79	0.50	0.79	0.49
Catalposide	ME831040	1.87	0.49	0.81	0.54
Adenosine	ME830542	1.82	0.54	0.82	0.54
Citicoline	ME830505	1.85	0.54	0.84	0.49
Glu/Glu/Pro/Pro	ME830623	1.52	0.43	0.91	0.59
TG(50:3)	ME830434	1.69	0.54	0.84	0.70
Dieporeticenin	ME831026	1.64	0.62	0.88	0.64
2-Amino-3-(1-pyrazolyl)propanoic acid	ME831084	1.61	0.62	0.94	0.63
Ile/Lys	ME830735	1.62	0.63	0.94	0.60
Glu/Lys	ME830892	1.70	0.56	0.95	0.55
4-Acetamido-2-aminobutanoic acid	ME830315	1.68	0.53	0.96	0.60
Ile/Arg	ME830695	1.68	0.56	0.94	0.59
Asn/Met/Gln/Ser	ME830795	1.72	0.53	0.90	0.61
Histidine	ME830331	1.68	0.56	0.91	0.63
Asn/Leu/Lys/Trp	ME830625	1.58	0.59	1.02	0.62
Ala/Thr/Ala/Gln	ME830793	1.54	0.59	1.05	0.63
2-methyladenine ribotide phosphate	ME831055	1.54	0.62	1.04	0.61
Ala/Trp/Pro/Tyr	ME830790	1.52	0.62	1.06	0.62
1-dimethylarsinoyl-decane	ME830951	1.58	0.53	1.06	0.63
Cyclic AMP	ME830536	1.55	0.56	1.12	0.60
Ala/Gln/Gln/Ser	ME830643	1.60	0.50	1.01	0.53
Thr/His	ME830658	1.64	0.61	1.06	0.48
5-Methoxytryptophan	ME831029	1.65	0.55	1.05	0.53
Asp/Pro/Pro	ME830654	1.67	0.56	1.06	0.50
Pro/Pro/Pro	ME830732	1.66	0.56	1.05	0.51
Pro/Ser	ME830856	1.60	0.54	1.13	0.52
Ala/Ala/His	ME830918	1.62	0.53	1.10	0.53
Lys/Tyr	ME830806	1.61	0.55	1.10	0.53
Leu/Ser/Tyr	ME830851	1.62	0.57	1.04	0.56
"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole"	ME830978	1.63	0.57	1.02	0.56
Ile/Gly/Pro	ME830669	1.59	0.57	1.08	0.56
Phenylethylmalonamide	ME830997	1.58	0.57	1.06	0.59
Leu/Met/Thr/Ser	ME830739	1.70	0.41	1.10	0.57
"Ne,Ne dimethyllysine"	ME830995	1.65	0.50	1.15	0.48
Ala/Ala/Phe/His/Arg	ME830740	1.65	0.53	1.16	0.45
manumycin B	ME830961	1.66	0.53	1.13	0.47
Phe/Thr	ME830808	1.71	0.47	1.10	0.48
Thiamine monophosphate	ME830523	1.71	0.49	1.09	0.48
Ala/Leu/Ala/Ser	ME830717	1.70	0.48	1.13	0.45
Val/Leu	ME830891	1.72	0.45	1.14	0.45
O-Succinylhomoserine	ME830310	1.70	0.56	0.99	0.51
Ala/Ala/Thr	ME830683	1.74	0.52	1.00	0.49
Thr/Gln	ME830672	1.74	0.51	1.01	0.50
Cys/Asp/Lys/Met/Asn	ME830738	1.68	0.49	1.09	0.51
Ser/His	ME830684	1.66	0.50	1.09	0.53
Carglumic acid	ME830302	1.74	0.46	1.04	0.50
Brunfelsamidine	ME830972	1.72	0.49	1.03	0.53
Gamma-Glutamyl-Se-methylselenocysteine	ME830304	1.69	0.50	1.05	0.53
"2,3-Butanediol glucoside"	ME831069	0.99	1.02	0.46	1.82
PE(38:5)	ME830466	0.92	1.37	1.17	0.57
PC(33:1)	ME830402	1.28	1.03	1.19	0.39
PC(34:1)	ME830409	1.28	1.16	1.18	0.28
Glu/Met/Phe	ME830865	1.51	0.75	0.97	0.61
Ala/Ala/Glu/Arg/Tyr	ME830677	1.55	0.66	1.03	0.57
Ile/Met/Thr/Ser	ME830782	1.51	0.72	1.02	0.58
Pyridoxine 5^-phosphate	ME830520	1.49	0.69	1.04	0.61
Thr/Pro/Pro	ME830694	1.49	0.69	1.06	0.60
Cytidine	ME830538	1.52	0.82	0.97	0.52
Cytosine	ME830539	1.43	0.84	1.04	0.56
PE(35:1)	ME830503	1.44	0.78	1.03	0.60
PS(36:0)	ME830440	1.44	0.79	1.02	0.60
Val/Asp	ME830901	1.49	0.72	0.87	0.75
formylaminopyrimidine	ME831051	1.49	0.75	0.93	0.67
Ile/His/Ser	ME830733	1.51	0.73	0.89	0.70
Cytidine monophosphate	ME830543	1.47	0.73	0.93	0.72
Pantothenic acid	ME830524	1.49	0.72	0.91	0.72
Lys/Met/Met/Val/Tyr	ME830668	1.55	0.71	0.86	0.70
Senecionine	ME830376	1.56	0.69	0.87	0.69
"alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate"	ME830964	1.54	0.66	0.95	0.67
Cohibin C	ME831143	1.56	0.67	0.92	0.66
Ala/Leu/Asp/Ser	ME830766	1.50	0.67	0.95	0.71
Ala/Ile/Ala/Ile	ME830671	1.48	0.70	0.97	0.70
PE(33:1)	ME830472	1.49	0.69	0.96	0.68
"16-bromo-hexadecadien-5,13-diynoic acid"	ME830424	1.45	0.73	1.01	0.67
Ala/Lys/Val/Gly	ME830833	1.48	0.69	1.00	0.67
Hydroxyprolyl-Proline	ME831000	1.46	0.70	1.00	0.68
Iminoglycine	ME830517	1.47	0.65	1.01	0.72
Leu/Asp	ME830888	1.49	0.66	1.02	0.66
5^-Dehydroadenosine	ME830982	1.46	0.67	1.02	0.69
Val/Glu	ME830877	1.47	0.66	1.03	0.68
Lys/Ser	ME830752	1.43	0.77	0.97	0.69
Cys/His/His/Lys/Tyr	ME830764	1.42	0.72	1.02	0.71
Val/Gly/Ala	ME830839	1.42	0.69	1.02	0.72
Ala/Glu/Lys/Lys/Trp	ME830798	1.39	0.75	1.01	0.72
Ala/Val/Asp/Pro	ME830724	1.39	0.72	1.05	0.71
Ala/Val/Asn/Pro	ME830821	1.38	0.73	1.03	0.73
Balenine	ME831014	1.40	0.72	1.03	0.72
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME830468	1.43	0.72	0.95	0.76
Montecristin	ME831116	1.44	0.72	0.95	0.74
Ile/Ser/Val	ME830841	1.41	0.70	0.98	0.78
Val/Arg	ME830773	1.40	0.69	1.00	0.77
PE(37:3)	ME830496	1.35	0.58	1.17	0.78
"3,4-dichloro-tridecanoic acid"	ME830435	1.45	0.61	1.05	0.74
Ala/Cys/Lys/Ser/Thr	ME830727	1.46	0.60	1.07	0.71
Ala/Leu/Gly/Ser	ME830853	1.43	0.65	1.09	0.68
Leu/Gly/His	ME830748	1.47	0.63	1.07	0.68
Asp/Glu/Leu/Met/Trp	ME830713	1.43	0.60	1.15	0.67
pentetate	ME831030	1.42	0.62	1.12	0.70
Asn/Glu/Ile/Val	ME830641	1.40	0.61	1.11	0.76
Ala/Asp/Cys	ME830868	1.39	0.66	1.10	0.73
Glutathione	ME830367	1.40	0.65	1.11	0.71
Ala/Asp/Ile/Pro/Thr	ME830861	1.36	0.68	1.21	0.63
Ile/His/Val	ME830935	1.34	0.68	1.19	0.68
Ala/Val/Ala/Asn	ME830685	1.33	0.70	1.20	0.66
N-Desalkyl flurazepam	ME830970	1.34	0.71	1.19	0.64
Ala/Ala/Gly/His	ME830882	1.39	0.64	1.19	0.65
Gln/Trp/Pro/Tyr	ME830784	1.38	0.66	1.14	0.70
Pro/Gly/Gly/Pro	ME830765	1.36	0.68	1.15	0.68
Ala/Phe/His/Pro/Arg	ME830903	1.39	0.68	1.14	0.65
Cys/Gly/His/Asn/Arg	ME830725	1.37	0.71	1.14	0.66
Pro/Gly/Ala	ME830873	1.43	0.68	1.10	0.64
benzalkonium	ME831144	1.43	0.72	1.10	0.61
PC(32:2)	ME830486	1.43	0.74	1.11	0.59
Glu/Gly	ME830617	1.37	0.72	1.14	0.56
His/Leu/Lys/Pro	ME830792	1.36	0.76	1.11	0.64
PC(32:3)	ME830389	1.37	0.74	1.15	0.62
"3,4,5-trihydroxy-6-({17-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0,.0,.0,]icosa-1(12),2(9),4,10,14,16,18-heptaen-15-yl}oxy)oxane-2-carboxylic acid"	ME830967	1.30	0.69	1.18	0.73
N(6)-Methyllysine	ME830313	1.27	0.69	1.24	0.70
16-dimethylarsinoyl-hexadecenoic acid	ME830976	1.29	0.79	1.16	0.66
Tryptophan	ME830339	1.28	0.76	1.20	0.66
Aloesol 7-glucoside	ME831113	1.28	0.82	1.10	0.70
Asp/Val/Pro/Ser	ME830943	1.28	0.78	1.11	0.74
Asn/Lys/Gly/Gly	ME830832	1.26	0.79	1.13	0.74
Asp/Ile/Ile/Asn/Pro	ME830858	1.26	0.79	1.13	0.73
Ala/Thr/Ala/Pro	ME830723	1.30	0.76	1.15	0.69
Trp/Gln	ME830755	1.28	0.77	1.15	0.71
Ala/Ala/Glu/Ile/Pro	ME830938	1.27	0.76	1.16	0.72
Ala/Thr/Trp/Arg	ME830750	1.27	0.77	1.16	0.71
"6,7-Dimethyl-8-(1-D-ribityl)lumazine"	ME830529	1.32	0.73	1.14	0.71
Adenosylhomocysteine	ME830356	1.32	0.72	1.15	0.70
Ala/Lys/Val/Pro	ME830809	1.35	0.71	1.12	0.70
His/Val/Asp	ME830660	1.35	0.74	1.10	0.70
Ile/Gly/His	ME830876	1.28	0.74	1.09	0.80
Ala/Pro/Ser/Ser	ME830826	1.32	0.73	1.10	0.75
Deoxyadenosine	ME830535	1.29	0.73	1.11	0.77
Ala/Arg	ME830633	1.35	0.89	0.80	0.84
Cys/Ser/Ser/Tyr/Tyr	ME830747	1.28	0.92	0.85	0.86
Citrulline	ME830335	1.42	0.82	0.79	0.82
PC(32:1)	ME830408	1.36	0.76	0.91	0.85
2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid	ME831053	1.41	0.77	0.87	0.82
Epinephrine	ME830314	1.42	0.74	0.88	0.81
magnesium-protoporphyrin IX 13-monomethyl ester	ME830996	1.21	0.67	1.20	0.85
Gln/Leu/Thr/Gln	ME830886	1.37	0.62	1.03	0.86
Acetylhomoserine	ME830332	1.29	0.65	1.08	0.89
gamma-glutamyl-L-alaninol	ME830954	1.27	0.73	1.04	0.87
Ile/Gly/Phe	ME830656	1.25	0.73	1.07	0.87
Ala/Leu/Asp/Asp	ME830805	1.32	0.88	1.05	0.65
CDP	ME830533	1.36	0.86	1.01	0.64
Nalpha-Methylhistidine	ME830971	1.37	0.79	1.04	0.67
Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine	ME831006	1.35	0.82	1.05	0.66
Proline	ME830368	1.35	0.84	1.03	0.66
Ala/Asp/Ile/Gln/Val	ME830718	1.33	0.88	0.96	0.72
Ala/Ala/Asp	ME830775	1.36	0.80	1.01	0.72
N6-Acetyl-L-lysine	ME830327	1.34	0.84	1.00	0.71
FAD	ME830515	1.36	0.84	0.90	0.78
Termitomycesphin A	ME830493	1.30	0.88	0.93	0.80
PE(36:1)	ME830494	1.32	0.86	0.94	0.77
"threo-2-Amino-3,4-dihydroxybutanoic acid"	ME830514	1.31	0.84	0.95	0.79
1-Caffeoyl-4-deoxyquinic acid	ME831122	1.33	0.83	0.96	0.78
"dTDP-3,4-dioxo-2,6-dideoxy-D-glucose"	ME831005	1.31	0.82	0.97	0.79
Ala/Thr/Val/Val	ME830711	1.36	0.73	0.98	0.80
2-Oxoarginine	ME830316	1.35	0.78	0.97	0.79
Ala/Asp/Ser	ME830675	1.37	0.76	0.99	0.76
His/His/His/Lys/Tyr	ME830698	1.35	0.79	0.99	0.76
Leu/Ser	ME830721	1.39	0.78	0.96	0.74
O-Phosphoethanolamine	ME830337	1.38	0.79	0.93	0.77
Arginine	ME830364	1.32	0.78	0.98	0.82
Glu/Lys/Lys/Gln/Tyr	ME830789	1.28	0.80	1.02	0.80
N-a-Acetyl-L-arginine	ME831027	1.28	0.81	0.99	0.82
Ala/Ala/Ile/Pro/Gln	ME830816	1.32	0.76	1.02	0.79
"6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"	ME831013	1.34	0.75	1.04	0.75
Asn/Gly/Pro	ME830758	1.33	0.78	1.04	0.75
Ala/Pro/Pro/Ser	ME830730	1.34	0.77	1.02	0.75
Glu/Cys/Thr	ME830804	1.34	0.77	1.02	0.77
Cys/Asp/Asp/Met/Arg	ME830670	1.30	0.84	1.02	0.74
Guanosine diphosphate	ME830532	1.28	0.83	1.04	0.76
1-Methylhistidine	ME830326	1.29	0.78	1.05	0.78
Licoricone	ME830420	1.32	0.81	1.04	0.72
Asp/Phe/Gly/Gly	ME830863	1.31	0.78	1.07	0.74
LysoPC(14:0)	ME830417	1.30	0.80	1.05	0.74
Phenylalanine	ME830351	1.26	0.91	1.10	0.64
4-Guanidinobutanamide	ME830301	1.25	0.95	1.01	0.70
Asn/Glu/Asp/Ile	ME830682	1.26	0.92	0.99	0.75
TG(54:5)	ME830464	1.25	0.84	0.88	0.94
Majusculoic acid	ME830419	1.32	0.81	0.89	0.86
POV-PG	ME831073	1.27	0.81	0.93	0.89
TG(54:6)	ME830452	1.28	0.82	0.91	0.89
Ala/Gln/Gln/Tyr	ME830796	1.21	0.92	0.94	0.87
PC(35:1)	ME830487	1.20	0.92	0.94	0.87
Asp/Asn/Asn/Asn/Ser	ME830690	1.21	0.85	0.99	0.88
alpha-NADP+	ME831098	1.23	0.85	0.99	0.85
Cys/Asp/Gly/His/Pro	ME830702	1.22	0.86	0.98	0.86
PC(29:1)	ME830470	1.24	0.88	0.94	0.86
Threonine	ME830353	1.23	0.86	0.96	0.88
diamide	ME830986	1.23	0.90	0.97	0.82
Myxochelin A	ME830830	1.23	0.91	0.96	0.82
Glu/Glu/Gln/Leu	ME830707	1.26	0.86	0.99	0.80
PC(35:2)	ME830446	1.26	0.86	0.98	0.82
Ala/Asp/Gln/Gln	ME830722	1.24	0.81	0.98	0.89
N-D-Glucosylarylamine	ME831082	1.22	0.78	0.99	0.94
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphate	ME830950	1.13	0.85	0.93	0.88
"3-(3,4-Dihydroxyphenyl)lactic acid"	ME830306	1.18	0.84	0.96	0.96
Lys/Val/Pro	ME830715	1.17	0.86	0.98	0.93
Lys/Asn	ME830619	1.17	0.71	1.07	0.85
Ala/Thr/Ala/Ser	ME830665	1.20	0.78	1.15	0.81
Phe/Gly/His/Lys/Arg	ME830893	1.22	0.75	1.16	0.79
Asp/Asp/His/Asn/Asn	ME830681	1.19	0.76	1.13	0.85
Cys/Cys/Asp/Lys/Gln	ME830937	1.18	0.80	1.12	0.84
Cys/His/Lys/Asn/Pro	ME830679	1.23	0.75	1.10	0.84
Met/Phe/Asp	ME830667	1.22	0.73	1.14	0.83
Met/Thr/Thr/Thr/Thr	ME830842	1.24	0.72	1.20	0.76
5^-methylthioformycin	ME831058	1.22	0.77	1.19	0.74
Ala/Ala/Asn/Ser	ME830761	1.21	0.78	1.19	0.74
Asp/Leu/Pro/Ser	ME830699	1.22	0.83	1.14	0.74
Ala/Leu/Ala/Gln	ME830704	1.23	0.78	1.13	0.78
Ala/Leu/Ser/Ser	ME830831	1.24	0.82	1.10	0.76
Asp/Phe/Trp/Val	ME830770	1.22	0.81	1.12	0.77
1(2H)-Isoquinolinone	ME831052	1.18	0.84	1.18	0.74
Ala/Lys/Gln/Val/Tyr	ME830843	1.16	0.84	1.16	0.78
Cys/Cys/Gly/His/Lys	ME830746	1.16	0.81	1.19	0.80
Ala/Lys/Asn/Pro/Tyr	ME830880	1.12	0.84	1.06	0.94
Ala/Asp/Asp/Ile/Ile	ME830787	1.19	0.80	1.04	0.90
Ala/Val/Val/Ser	ME830887	1.18	0.84	1.05	0.87
Phosphinothricin	ME830968	1.15	0.84	1.08	0.88
Ile/Lys/Met/Met/Tyr	ME830772	1.24	0.87	1.13	0.83
Lys/Thr/Ser/Tyr	ME830895	1.18	0.83	1.10	0.82
Nicotinamide hypoxanthine dinucleotide	ME831149	1.20	0.83	1.10	0.80
Ala/Asp/Met/Thr/Thr	ME830915	1.21	0.80	1.09	0.83
Ala/Glu/Met/Pro/Thr	ME830680	1.19	0.84	1.07	0.83
"2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol"	ME830962	1.21	0.83	1.07	0.82
4-Guanidinobutanoic acid	ME830309	1.21	0.82	1.07	0.83
Asp/Gln/Arg/Val/Trp	ME830712	1.26	0.83	1.04	0.79
piperidine-3-carboxylate	ME831150	1.26	0.82	1.04	0.80
Fenugreekine	ME831166	1.24	0.82	1.06	0.80
Glu/Ile/Gln/Thr	ME830926	1.23	0.84	1.06	0.78
Isonicotineamide	ME831161	1.23	0.83	1.07	0.79
Asn/Asn	ME830741	1.22	0.83	1.04	0.84
Asp/Thr/Pro/Pro	ME830687	1.24	0.80	1.01	0.86
5^-deoxyuridine	ME831045	1.26	0.79	1.03	0.82
"N6,N6,N6-Trimethyl-L-lysine"	ME830365	1.25	0.80	1.03	0.84
Thr/Ala/Ser	ME830894	1.24	0.81	1.04	0.84
Trp/Gly/Ser	ME830662	1.21	0.89	1.02	0.81
Val/Ser/Ser	ME830905	1.18	0.89	1.03	0.83
5-Aminopentanoic acid	ME830363	1.20	0.87	1.08	0.78
Ala/Ala/Ala/Asn	ME830767	1.17	0.89	1.10	0.78
Ile/Ala/Gly	ME830666	1.31	0.63	0.80	0.74
Phe/Gly/Arg/Arg/Trp	ME830555	1.40	0.54	0.73	0.64
Ala/Glu	ME830663	1.30	0.50	0.91	0.56
Asp/His/His/Gln/Ser	ME830551	1.29	0.47	1.07	0.69
Allopurinol	ME831129	1.04	1.19	0.63	1.13
Cyclohex-2-enone	ME830965	1.09	1.32	0.77	0.79
PC(33:3)	ME830492	1.24	1.26	0.56	0.86
Glu/Trp/Trp/Cys	ME830820	1.21	1.02	0.73	0.98
Oxidized glutathione	ME830334	1.13	1.19	0.75	0.88
PE(39:1)	ME830509	1.17	1.12	0.73	0.93
PA-PI	ME831130	0.65	0.95	1.16	1.36
Demeclocycline	ME831054	0.79	0.89	1.39	1.00
Nicotinic acid	ME830525	0.79	0.95	1.45	0.88
"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside"	ME831017	0.83	1.11	1.26	0.86
Cys/Cys/Asp/Pro/Trp	ME830920	0.79	0.98	1.09	1.20
DG(39:0)	ME830439	0.80	0.96	1.17	1.15
Ala/Ala/Ala/Arg	ME830745	0.76	1.06	1.31	0.95
Glycerophosphocholine	ME830512	0.71	1.03	1.32	1.04
CMP-2-aminoethylphosphonate	ME830341	0.72	1.11	1.21	1.06
dCMP	ME830547	0.75	1.11	1.19	1.03
5^-methoxy-6^-chloroarmillane	ME831142	0.72	1.06	1.23	1.08
N-acetyl-O-acetylneuraminate	ME831104	0.76	1.05	1.25	1.03
Glu/Lys/Pro/Gln/Tyr	ME830866	0.75	1.11	1.11	1.12
PC(13:0)	ME830445	0.70	1.14	1.16	1.10
Isopentyl beta-D-glucoside	ME831112	0.99	0.82	0.83	1.36
pentaethylene glycol	ME831165	0.95	0.84	0.86	1.36
Ala/Asn/Asp/Ser	ME830889	1.18	0.85	0.78	1.13
Coproporphyrin I	ME830518	1.10	0.91	0.83	1.12
4-Pyridoxolactone	ME830516	1.07	1.12	0.93	0.86
Sarcodon scabrosus Depsipeptide	ME830983	1.06	1.12	0.98	0.83
6-allyl-8b-Carboxy-ergoline	ME831079	0.99	1.26	0.88	0.88
Tetradecene	ME830461	1.01	1.22	0.95	0.81
PC(40:7)	ME830390	0.98	1.18	1.15	0.69
Demethylated antipyrine	ME831024	0.98	1.30	0.99	0.73
PC(33:5)	ME830456	1.01	1.20	1.04	0.75
Ala/Leu/Asn/Ser	ME830934	1.04	0.85	1.27	0.82
11-nitro-1-undecene	ME831123	1.02	0.74	1.26	0.96
Asp/Glu/Lys/Met/Thr	ME830691	1.05	0.75	1.25	0.92
FeHM	ME831111	1.07	0.74	1.23	0.94
Ala/Leu/Asp/Pro	ME830550	1.14	0.76	1.11	0.91
Cys/Cys/Asp/His/His	ME830674	1.11	0.78	1.17	0.91
Methyl 2-diazoacetamidohexonate	ME831072	1.11	0.78	1.13	0.94
Thr/Trp/Cys	ME830850	1.07	0.82	1.19	0.89
"{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium"	ME831015	1.12	0.83	1.17	0.85
Ala/Glu/Ile/Pro/Thr	ME830944	1.12	0.79	1.19	0.86
His/Ile/Met/Pro/Arg	ME830848	1.13	0.78	1.21	0.83
6-Acetamido-3-aminohexanoate	ME831077	1.18	0.62	1.09	1.04
(3-Arylcarbonyl)-alanine	ME831117	1.12	0.79	1.04	1.01
Asn/Pro/Arg/Thr/Trp	ME830829	1.12	0.73	1.11	1.00
dADP	ME830537	1.17	0.83	1.23	0.71
Thiomorpholine 3-carboxylate	ME830981	1.16	0.83	1.25	0.70
Centarol	ME831066	1.02	1.06	1.11	0.82
Asp/Lys/Lys/Pro/Tyr	ME830899	1.12	0.97	1.08	0.80
Cys/His/Lys/Pro/Gln	ME830731	1.08	0.97	1.09	0.83
2-Nonenoic acid	ME830430	1.06	1.05	1.07	0.80
Isoleucine	ME830357	1.06	1.08	1.04	0.80
Kanzonol V	ME830999	1.09	1.01	1.07	0.80
N4-Acetylaminobutanal	ME830343	1.11	1.03	1.03	0.80
Asp/Ile/Pro/Pro/Ser	ME830911	1.07	0.87	1.14	0.89
Cys/Asn/Pro/Arg/Ser	ME830860	1.07	0.88	1.16	0.87
Imidazoleacetic acid	ME830308	1.06	0.90	1.16	0.86
Glu/Ser/Thr	ME830736	1.12	0.89	1.08	0.88
Gly/Ser/His	ME830778	1.11	0.92	1.09	0.84
Pro/Ala/Pro	ME830763	1.12	0.91	1.07	0.85
Glu/Phe/Lys/Gln/Val	ME830885	1.09	0.92	1.12	0.85
Pseudoconhydrine	ME831044	1.11	0.90	1.12	0.83
5-Hydroxy-N-formylkynurenine	ME830336	1.10	0.88	1.13	0.85
Cys/His/Ile/Gln/Gln	ME830932	1.12	0.87	1.12	0.85
"L,L-Cyclo(leucylprolyl)"	ME830977	1.06	0.92	1.19	0.81
2-Keto-6-acetamidocaproate	ME830305	1.11	0.91	1.17	0.77
PE(33:0)	ME830391	1.13	0.91	1.17	0.74
2-Hydroxycaproic acid	ME830448	0.92	0.85	1.15	1.11
Demethoxyfumitremorgin C	ME831109	0.93	0.90	1.13	1.07
Ethyl -3-hydroxybutyrate	ME831151	0.94	0.91	1.11	1.07
Cys/Phe/Trp/Trp/Trp	ME830638	0.96	0.80	1.12	1.14
Heterophyllin	ME830415	1.04	0.75	1.07	1.13
PE(P-38:4)	ME830489	0.88	1.06	0.87	1.23
1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosane	ME830455	0.87	1.02	0.93	1.22
Oleoylcarnitine	ME831102	0.86	1.05	0.96	1.18
Glu/Cys/Cys	ME830800	0.94	1.08	0.92	1.08
Glutamine	ME830370	0.92	1.11	0.93	1.06
PE(41:2)	ME830467	0.94	1.12	0.92	1.05
SM(d40:2)	ME830484	0.93	1.12	0.91	1.06
5-Valerolactone	ME831036	0.94	1.11	0.87	1.08
Tritoqualine	ME830988	1.00	1.09	0.86	1.05
PE(P-40:5)	ME830460	0.96	1.09	0.90	1.06
SM(d42:2)	ME830510	0.98	1.09	0.88	1.07
PE(P-40:4)	ME830454	1.00	1.01	0.88	1.10
Arg/Asp/Asp/Gly	ME830686	0.97	1.02	0.93	1.10
2-acetamidoglucal	ME831042	0.94	1.03	0.93	1.11
N-Acetyl-D-fucosamine	ME831087	0.94	1.02	0.95	1.10
Riboflavin	ME830522	0.90	1.12	0.84	1.18
Gamma-glutamyl-L-putrescine	ME830303	0.93	1.05	0.88	1.16
Asp/Phe/Lys/Gln/Tyr	ME830929	0.92	1.09	0.89	1.13
PE(O-38:5)	ME830490	0.92	1.08	0.87	1.15
Trp/Cys/Gly	ME830756	0.88	1.12	0.90	1.14
SM(d36:2)	ME830471	0.89	1.12	0.93	1.08
3-Deoxyvitamin D3	ME830444	0.90	1.14	0.89	1.10
PC(P-32:0)	ME831118	0.90	1.12	0.91	1.10
N-Hexadecanoylpyrrolidine	ME831041	0.83	1.11	0.95	1.16
17-AAG	ME831033	0.84	1.11	0.99	1.12
Hexylamine	ME831059	0.86	1.12	0.94	1.13
Mesuol	ME830426	0.87	1.13	0.95	1.10
PS(38:4)	ME830485	0.90	1.20	0.89	1.04
2-Pyrrolidinone	ME831164	0.93	1.23	0.88	0.98
gamma-Aminobutyric acid	ME830366	0.93	1.22	0.90	0.98
Cys/Gly/Arg/Arg/Tyr	ME830928	0.91	1.15	0.95	1.02
PC(33:4)	ME830473	0.88	1.14	0.99	1.03
Benzoic acid	ME830322	0.95	1.11	1.01	0.95
PC(36:4)	ME830406	0.96	1.10	1.01	0.94
Dihydrothymine	ME830545	0.98	1.17	0.94	0.92
Convicine	ME830966	0.96	1.14	0.95	0.97
Demecolcine	ME830374	0.96	1.14	0.96	0.95
N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	ME830947	0.97	1.15	0.94	0.95
SM(d36:1)	ME830469	0.97	1.16	0.92	0.96
Tetraethylene glycol	ME831159	0.91	1.17	1.00	0.95
Butyric acid	ME830386	0.92	1.19	0.95	0.96
Thr/Cys	ME830854	0.91	1.20	0.94	0.98
Barbinine	ME831153	0.84	1.23	0.95	1.03
PE(41:4)	ME830501	0.86	1.19	0.98	1.02
Acrimarine N	ME831022	0.86	1.23	0.97	0.98
Asn/Asn/Asp/Gly	ME830874	0.86	1.22	0.97	1.00
Cys/Gly/Pro	ME830904	0.83	1.20	1.02	1.01
Diethanolamine	ME830431	0.83	1.24	1.01	0.97
Leucine	ME830362	0.80	1.24	1.04	0.99
Lys/Phe	ME830697	0.85	1.18	1.07	0.95
Cys/His/Lys/Tyr/Tyr	ME830846	0.79	1.18	1.08	1.02
Nebrosteroid M	ME830457	0.82	1.15	1.09	1.00
phenyl sulfoxide	ME830985	0.83	1.06	1.08	1.08
Niacinamide	ME830530	0.84	1.14	1.03	1.05
Triethanolamine	ME831018	0.85	1.11	1.04	1.06
triethylene glycol	ME831155	0.79	1.15	1.06	1.07
Asp/Asp/Asp/Arg/Tyr	ME830875	0.82	1.13	1.01	1.10
Pipericine	ME831009	0.81	1.14	1.03	1.08
Cer(d42:2)	ME830477	1.04	1.04	0.88	1.03
SM(d40:1)	ME830497	1.04	1.06	0.85	1.03
acyl phosphatidylglycerol (n-C12:0)	ME831106	1.05	1.07	0.88	0.99
Muramic acid	ME831107	1.07	1.06	0.86	0.99
Ala/Asn/Ser	ME830624	1.07	1.06	0.90	0.96
Avenic acid A	ME831097	1.07	1.02	0.90	0.98
SM(d42:1)	ME830506	1.11	1.07	0.83	0.96
PC(31:2)	ME830483	1.06	1.10	0.86	0.96
Galactose 1-phosphate	ME830380	1.06	1.09	0.82	1.00
SM(d41:1)	ME830465	1.05	1.10	0.84	0.99
Ala/Ala	ME830879	1.17	0.99	0.91	0.88
PS(36:1)	ME830476	1.21	0.96	0.89	0.87
PE(37:2)	ME830511	1.19	1.00	0.84	0.91
Glu/Pro/Pro	ME830900	1.16	0.97	0.89	0.92
N-(hexacosenoyl)-sphinganine-1-phosphocholine	ME830442	1.19	0.96	0.86	0.92
Cys/Cys/Asp/Gly/Ser	ME830651	1.20	1.04	0.82	0.86
penem CGP31608	ME831020	1.13	1.10	0.85	0.87
PE(19:0)	ME830437	1.11	0.98	0.90	0.98
PC(32:0)	ME830403	1.12	0.99	0.90	0.95
PE(34:0)	ME830397	1.11	1.01	0.90	0.94
2-Methylbutyroylcarnitine	ME831057	1.07	0.96	0.93	1.02
SM(d44:2)	ME830463	1.07	0.98	0.90	1.03
Acetyl-CoA	ME830382	1.07	1.01	0.97	0.93
Serine	ME830333	1.09	1.00	0.94	0.94
Ala/Ala/Ala/Ser	ME830762	1.05	1.01	0.97	0.96
PC(36:2)	ME830412	1.05	1.01	0.96	0.97
dodecyltrimethylammonium	ME830991	1.03	1.03	0.95	0.97
PC(40:6)	ME830396	1.02	1.03	0.96	0.98
PE(34:1)	ME830407	1.04	1.01	0.93	1.00
2-{[1-(R)-Carboxyethyl]amino}pentanoate	ME831031	1.07	1.00	0.93	0.97
Alexine	ME831032	1.07	0.99	0.93	0.98
Ile/Lys/Ser	ME830710	1.08	0.98	0.94	0.99
LysoPC(18:2)	ME830441	1.07	0.98	0.95	0.98
Ethyl beta-D-glucopyranoside	ME831061	1.13	0.90	0.89	1.05
Glu/Met/Thr	ME830769	1.10	0.92	0.91	1.04
PE(42:5)	ME830450	1.09	0.91	1.00	0.97
gamma-glutamyl-isopropylamide	ME831012	1.07	0.95	0.99	0.96
N(alpha)-t-Butoxycarbonyl-L-leucine	ME831074	1.07	0.94	0.99	0.98
N-acetyl-L-2-aminoadipate(2-)	ME830324	1.04	0.95	0.97	1.02
Asp/Leu/Lys/Lys	ME830910	1.06	0.96	0.96	1.00
N-(3-oxooctanoyl)-L-homoserine	ME831038	1.06	0.94	0.98	1.00
Folic acid	ME830513	1.07	0.93	0.95	1.02
Cys/Cys/His/His/Trp	ME830867	1.08	0.91	0.96	1.02
PC(35:4)	ME830392	1.09	0.90	0.97	1.02
TG(56:8)	ME830427	1.14	0.91	0.93	0.97
PE(38:4)	ME830395	1.13	0.89	0.93	1.00
Sphinganine 1-phosphate	ME830421	1.13	0.89	0.92	1.01
N-(1-Deoxy-1-fructosyl)proline	ME831002	1.11	0.92	0.96	0.98
Asparagine	ME830346	1.12	0.95	0.92	0.97
9-mercaptodethiobiotin	ME830519	1.12	0.94	0.95	0.95
Ophthalmic acid	ME831091	1.11	0.95	0.95	0.95
"(2R,3R)-1,2,3-Butanetriol"	ME831023	1.06	1.04	0.99	0.89
Isosophoranone	ME830418	1.08	1.00	1.00	0.90
PE(39:4)	ME830507	1.10	0.98	1.00	0.88
Ala/Glu/Lys/Lys/Tyr	ME830849	1.09	0.99	1.02	0.87
PC(30:0)	ME830398	1.10	1.00	1.01	0.86
"(1,3-diphenylpropoxy)sulfonic acid"	ME830958	1.12	1.03	0.94	0.88
Carbidopa	ME830993	1.13	1.02	0.93	0.88
Val/Ala	ME830788	1.13	1.02	0.98	0.84
Biotin	ME830521	1.09	1.04	1.00	0.83
PC(38:5)	ME830394	1.10	1.06	0.96	0.84
2-Nitropropane	ME831037	1.16	0.98	0.98	0.82
5-Nitro-2-(3-phenylpropylamino)benzoic acid	ME831146	1.16	0.95	1.01	0.83
PE(32:1)	ME830449	1.18	0.93	1.00	0.83
PC(36:5)	ME830399	1.13	0.94	1.03	0.85
PC(38:6)	ME830388	1.14	0.96	1.01	0.85
6-Amino-9H-purine-9-propanoic acid	ME830973	1.05	0.98	1.06	0.90
Procaterol	ME830975	1.06	0.96	1.04	0.93
N-Acetylmannosamine	ME830384	1.09	0.95	1.04	0.88
Met/Ala/Gly	ME830844	1.09	0.92	1.02	0.94
PC(15:1)	ME830433	1.10	0.94	1.02	0.91
PE(41:6)	ME830462	1.08	0.94	1.03	0.92
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5^	ME831016	1.13	0.92	1.02	0.89
"erythro-(2R,3R)-dihydroxybutylamide"	ME831108	1.12	0.91	1.05	0.88
Cys/Cys/Ile/Lys/Pro	ME830799	1.15	0.89	1.03	0.88
PE(38:2)	ME830500	1.16	0.91	1.00	0.87
PE(36:2)	ME830404	1.15	0.94	0.95	0.91
Enigmol	ME830458	1.14	0.91	0.96	0.94
Ala/Asp/Phe/Pro/Arg	ME830807	1.14	0.90	0.99	0.93
Ala/Val/Gly/His	ME830834	1.13	0.92	1.00	0.91
Asp/Thr/Cys/Cys	ME830632	1.12	0.90	0.99	0.91
Ala/His/Ile/Ile/Gln	ME830913	1.11	0.93	0.99	0.93
PE(38:1)	ME830508	1.11	0.95	0.97	0.93
Inosyl-L-homocysteine	ME831081	1.12	0.95	1.01	0.88
PC(34:2)	ME830411	1.13	0.95	1.00	0.89
"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one"	ME831128	1.11	0.96	0.99	0.90
N-(1-Deoxy-1-fructosyl)leucine	ME831080	1.13	0.95	0.98	0.91
Caribine	ME831085	1.05	0.87	1.07	1.00
Roxatidine acetate	ME831011	1.03	0.91	1.06	1.00
gamma-Glutamylleucine	ME830847	1.04	0.90	1.08	0.97
N-Acetyllactosamine	ME831124	1.05	0.92	1.05	0.97
PE(34:2)	ME830504	0.97	0.94	1.00	1.10
Ala/Cys/Lys/Met/Tyr	ME830794	0.98	0.90	1.07	1.05
Ala/Ile/Lys/Lys/Trp	ME830898	0.99	0.88	1.04	1.09
"1,2,3-Tris(1-ethoxyethoxy)propane"	ME831086	1.01	0.92	1.01	1.06
Jasminine	ME831068	1.06	0.89	0.99	1.04
Tenuazonic acid	ME831049	1.04	0.88	1.02	1.05
Cichorine	ME831090	0.98	1.01	0.97	1.04
Lupinate	ME830373	0.96	1.00	0.99	1.07
Asn/Thr/Asp/Gly	ME830870	0.96	1.01	1.00	1.04
Ile/Pro	ME830921	0.96	1.01	1.00	1.04
PE(P-36:1)	ME830491	0.93	1.04	0.97	1.08
SM(d32:1)	ME830482	0.92	1.06	1.00	1.05
Asp/Gly/Asn/Asn/Asn	ME830872	0.93	1.03	1.00	1.06
N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	ME830945	0.93	1.02	1.01	1.06
Swainsonine	ME831067	0.95	1.05	1.02	0.99
"7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha -D- ribofuranosyl 5-phosphate]-D-ribitol"	ME831105	0.94	1.04	1.02	1.02
N-Methylalanine	ME831126	0.94	1.04	1.00	1.03
PE(41:1)	ME830480	0.95	1.05	0.98	1.04
alpha-D-desosamine	ME831110	0.94	1.07	0.98	1.03
Indenestrol A	ME831021	0.94	1.08	0.96	1.04
Gamma-Butyrolactone	ME831039	0.93	1.09	1.01	1.00
PE(36:4)	ME830499	0.94	1.10	0.97	1.01
fumiquinazoline F-indoline-3^-ol	ME831089	0.90	1.03	1.05	1.06
6-Methyltetrahydropterin	ME831141	0.91	1.00	1.05	1.07
Nalpha-[-3-methylhex-2-enoyl]-L-glutamine	ME831070	0.92	0.99	1.05	1.06
Ajmaline	ME830378	0.92	0.99	1.00	1.11
N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine	ME830946	0.88	1.03	1.03	1.11
LysoPC(16:0)	ME830479	0.88	1.06	1.00	1.11
PC(P-36:1)	ME831136	0.89	1.03	1.01	1.11
Cys/Asp/Glu/Phe/Tyr	ME830927	0.88	1.04	1.00	1.12
PC(P-34:1)	ME831158	0.87	1.04	1.01	1.12
Met/Thr/Asp	ME830759	1.02	0.92	1.03	1.01
Valine	ME830361	1.00	0.93	1.04	1.03
Butenylcarnitine	ME831003	0.99	0.94	1.07	1.01
Fabianine	ME831063	1.01	0.95	1.03	1.01
Ala/Leu/Lys/Pro	ME830909	0.99	0.96	1.05	0.99
Ala/Leu/Thr/Ala	ME830922	1.00	0.95	1.05	1.00
1-octyl-2-octyl-sn-glycero-3-phosphocholine	ME830436	0.96	0.98	1.03	1.05
4-Hydroxybutyric acid	ME830383	0.96	0.96	1.03	1.04
Asn/Gln/Thr/Tyr/Tyr	ME830925	0.98	0.96	1.03	1.04
"Lysine 1,6-lactam"	ME830342	0.98	0.97	1.00	1.05
4-Methylaminobutyrate	ME830528	0.99	0.97	1.01	1.03
N-Acetylputrescine	ME830360	1.00	0.97	1.00	1.03
Labienoxime	ME831071	1.01	0.97	1.00	1.01
Slaframine	ME830379	1.01	0.99	1.00	1.00
Homoglutathione	ME831148	0.99	0.97	1.03	1.02
Neotussilagine	ME831035	0.99	0.98	1.03	1.01
Histidine trimethylbetaine	ME830348	0.99	0.99	1.01	1.02
Methionine sulfoxide	ME830329	0.98	0.99	1.02	1.01
Heliamine	ME831154	0.99	1.00	1.01	1.00
Octylamine	ME831157	0.99	0.99	1.02	1.00
Phe/Thr/Thr/Tyr	ME830728	0.97	0.98	1.06	1.01
Asp/Phe/Ile/Lys/Asn	ME830941	0.97	0.99	1.04	1.01
Hypoxanthine	ME830549	0.97	0.99	1.03	1.02
Biotin amide	ME831062	1.05	0.96	1.01	0.96
Eucaglobulin	ME831046	1.02	0.98	1.02	0.96
Lenticin	ME831162	1.03	0.96	1.03	0.97
N-hydroxy-L-dihomomethionine	ME831100	1.03	1.01	1.00	0.95
2-Aminoheptanoate	ME830488	1.01	1.00	1.02	0.96
Acetylcarnitine	ME830352	1.00	1.01	1.02	0.97
"(2R,4S)-2,4-Diaminopentanoate"	ME830340	1.03	0.99	1.00	0.98
Carnitine	ME830344	1.03	0.99	1.00	0.97
Leu/Ala	ME830930	1.01	0.99	1.01	0.98
Lotaustralin	ME831160	1.02	0.99	1.01	0.98
5-Amino-3-oxohexanoate	ME830323	1.01	0.99	0.95	1.04
hydroxyisovaleroyl carnitine	ME831138	0.98	1.02	1.01	0.98
Alanine	ME830349	1.01	1.03	0.96	1.00
N6-Acetyl-N6-hydroxy-L-lysine	ME830320	0.99	1.04	0.97	1.01
Anaferine	ME830377	1.02	1.01	0.97	0.99
15(R)-hydroperoxy-EPE	ME831168	1.00	1.02	0.99	0.99
Lycoflexine	ME831127	1.01	1.01	0.99	0.99
1-Pyrroline-5-carboxylic acid	ME830318	0.98	1.03	1.00	1.00
Creatine	ME830369	0.98	1.03	0.99	1.01
DL-2-Aminooctanoic acid	ME831147	0.99	1.01	0.99	1.02
Gly/His	ME830940	0.99	1.01	0.98	1.01
4-(Trimethylammonio)but-2-enoate	ME831099	1.00	1.05	0.91	1.04
PC(40:5)	ME830401	1.00	1.07	0.91	1.03
Dopa	ME830354	1.02	1.03	0.93	1.01
PC(36:1)	ME830413	1.01	1.03	0.93	1.03
PE(35:0)	ME830410	1.01	1.04	0.92	1.02
PC(35:5)	ME830495	1.00	1.04	0.94	1.01
PC(38:3)	ME830400	1.00	1.06	0.93	1.02
PC(38:4)	ME830405	1.00	1.06	0.94	1.00
hexenedioylcarnitine	ME830989	1.02	1.07	0.92	0.98
mycaminose	ME831094	1.04	1.06	0.93	0.95
"cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)"	ME831145	1.02	1.06	0.95	0.96
Uridine 5^-diphosphate	ME830540	1.03	1.06	0.95	0.95
Tetraethylammonium	ME831060	0.99	1.06	0.97	0.98
"2-Amino-9,10-epoxy-8-oxodecanoic acid"	ME830429	0.97	1.08	0.98	0.98
LysoPC(18:1)	ME830393	0.98	1.09	0.97	0.96
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	ME831064	1.00	1.09	0.98	0.94
His/Ile/Met/Arg/Thr	ME830803	0.99	1.06	1.00	0.95
"2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine"	ME831125	1.01	1.06	0.98	0.95
Otonecine	ME831101	1.01	1.04	0.98	0.96
Ala/His/Met/Arg/Thr	ME830822	0.85	1.03	1.21	0.96
PE(P-20:0)	ME830443	0.87	0.98	1.13	1.07
LysoPE(16:0)	ME830451	0.87	0.96	1.22	1.00
sn-glycero-3-Phosphoethanolamine	ME830425	0.85	0.96	1.18	1.05
Arg/Thr/Asp/Ser	ME830673	0.88	0.99	1.17	1.01
N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine	ME830948	0.84	1.01	1.19	1.02
CTAB	ME831065	0.90	1.12	1.11	0.90
O-(17-carboxyheptadecanoyl)carnitine	ME830956	0.88	1.11	1.12	0.93
Bis(2-ethylhexyl)phthalate	ME831131	0.91	1.02	1.13	0.97
nva-FMDP	ME830990	0.89	1.02	1.14	0.99
"3,4-dihydroxybenzoate-spermidine"	ME830969	0.93	1.02	1.09	0.98
N-Acetylhistidine	ME831103	0.92	1.04	1.06	1.01
LysoPE(18:1)	ME830481	0.91	1.02	1.09	1.02
PC(14:1)	ME830453	0.92	1.02	1.09	1.01
Cys/Asp/Met/Arg/Trp	ME830906	0.90	1.06	1.04	1.03
PE(41:5)	ME830498	0.89	1.09	1.05	1.01
Stearoylcarnitine	ME831121	0.86	1.10	1.08	1.00
Asn/Thr/Thr/Tyr/Tyr	ME830823	0.87	1.06	1.10	1.02
Dopachrome	ME830328	0.87	1.08	1.11	0.99
9^-Carboxy-alpha-chromanol	ME831140	0.99	0.88	1.21	0.92
Asp/Glu/Glu/Lys/Lys	ME830919	0.98	0.93	1.20	0.90
LysoPE(O-18:0)	ME830428	1.03	0.86	1.13	0.97
PC(14:2)	ME830423	1.03	0.84	1.18	0.94
LysoPE(14:0)	ME830416	0.98	0.99	1.19	0.85
Ala/Asp/Ser/Ser/Trp	ME830835	0.96	1.03	1.13	0.90
Linamarin	ME830980	0.98	1.03	1.10	0.89
LPC	ME831004	0.95	1.00	1.18	0.89
Ala/Ala/Pro/Arg/Tyr	ME830881	0.93	1.00	1.16	0.93
Coriandrone D	ME830963	0.95	1.01	1.15	0.91
"N-Acetyl-2,3-dihydro-1H-pyrrole"	ME831047	1.00	0.97	1.12	0.90
dioctylamine	ME831135	1.04	0.95	1.09	0.91
Pyridoxine	ME830527	1.05	0.93	1.10	0.90
Thr/Ala	ME830729	1.02	0.94	1.11	0.93
Ile/Lys/Pro	ME830942	1.02	0.95	1.08	0.93
LysoPE(18:0)	ME830422	1.02	0.97	1.09	0.91
Ala/Ala/Glu/Glu/His	ME830743	1.00	0.98	1.08	0.94
Asn/Glu/Ile/Pro	ME830781	0.99	0.98	1.09	0.95
2-methylphosphinoyl-2-hydroxyacetate	ME831167	0.96	0.97	1.09	0.98
Asp/Met/Cys/Cys	ME830776	0.98	0.99	1.08	0.97
Pyrene	ME831133	0.96	0.95	1.14	0.96
Cys/Lys/Asn/Arg/Tyr	ME830706	0.94	0.98	1.08	1.02
Asp/Glu/Glu/Glu/Ile	ME830811	0.95	0.95	1.12	1.01
Phosphonoacetaldehyde	ME830355	0.94	0.98	1.11	0.99
Hexaethylene glycol	ME831163	0.89	0.35	1.78	1.01
Cys/Asp/Phe/Pro/Pro	ME830916	0.98	0.73	1.56	0.74
Aminoacetone	ME830321	1.12	0.63	1.51	0.70
Guanine	ME830546	1.16	0.58	1.56	0.65
3-nitro-2-pentanol	ME831139	1.23	0.59	1.46	0.65
Asn/Met/Thr/Thr	ME830855	1.20	0.67	1.50	0.57
3^-amino-3^-deoxyadenosine	ME830984	1.27	0.60	1.50	0.54
Acetylphosphopantetheine	ME830955	1.25	0.61	1.49	0.56
Ergothioneine	ME830330	1.14	0.57	1.24	0.99
Methocarbamol	ME831119	1.16	0.50	1.29	0.99
Allylcysteine	ME831034	0.91	0.67	1.51	1.23
3-tert-Butyl-5-methylcatechol	ME831152	0.84	0.75	1.40	1.06
tridecadienoic acid	ME830502	0.95	0.66	1.35	1.05
Val/Gly/His	ME830757	0.97	0.68	1.25	1.10
Cys/Cys/Asp/Asp/Thr	ME830649	0.66	1.43	0.07	1.11
Asp/Cys/Cys/Ser	ME830627	0.87	1.33	0.77	0.99
"3,4-Dihydroxymandelic acid"	ME830311	0.83	1.46	0.59	0.98
Cysteinyl-Hydroxyproline	ME831114	0.81	1.43	0.70	1.12
Deidaclin	ME831056	0.82	1.52	0.70	1.03
Ala/Phe/His/Ile/Lys	ME830786	0.75	1.39	0.39	0.90
bacteriochlorophyllide a	ME831048	0.92	1.33	0.42	1.11
4-Hydroxyglucobrassicin	ME831078	0.50	1.39	0.64	1.62
Met/Ser	ME830845	0.39	1.53	0.73	1.56
Avenanthramide 2s	ME831076	0.66	1.26	0.77	1.42
VIM-II(d42:1)	ME830474	0.50	1.51	0.81	1.34
His/His/Asn/Trp/Trp	ME830897	0.58	1.45	0.84	1.27
Codeine	ME830375	0.57	1.44	0.78	1.36
Glu/Arg/Arg/Arg/Tyr	ME830908	0.57	1.42	0.81	1.34
Phe/Lys/Arg/Thr/Tyr	ME830883	0.53	1.38	0.91	1.34
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside	ME831096	0.51	1.34	0.87	1.44
Erythrose 4-phosphate	ME830381	0.56	1.04	0.73	1.20
"3^,4^,5^-Trimethoxycinnamyl alcohol acetate"	ME830994	0.63	1.52	0.92	1.05
1-5-diazabicyclononane	ME830312	0.76	1.31	1.04	0.97
LysoPC(P-16:0)	ME830478	0.76	1.12	1.03	1.17
PC(P-36:2)	ME831132	0.77	1.11	1.02	1.17
PC(O-16:0)	ME830459	0.78	1.14	0.97	1.18
Pyridoxal	ME830526	0.77	1.15	1.00	1.15
thiazolidine-4-carboxylate	ME831019	0.78	1.17	0.92	1.20
Palmitoylcarnitine	ME830438	0.73	1.23	0.99	1.14
Cys/Asp/Glu/His/Trp	ME830923	0.77	1.19	0.96	1.16
Ile/Cys/Phe	ME830890	0.73	1.19	0.99	1.18
Methionine	ME830347	0.72	1.39	0.91	1.07
Agaritinal	ME831120	0.77	1.33	0.82	1.15
Cys/Phe/Gly/Gly	ME830871	0.77	1.34	0.81	1.16
Ala/Glu/Ile/Lys/Thr	ME830836	0.79	1.27	0.90	1.11
Fasoracetam	ME831075	0.81	1.30	0.86	1.09
gamma-Glutamylcysteine	ME830350	0.73	1.28	0.81	1.27
LysoPC(18:0)	ME830475	0.67	1.26	0.88	1.30
Cys/Asp/His/His/Thr	ME830726	0.69	1.31	0.98	1.13
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	ME830447	0.65	1.29	0.95	1.23
Ile/Cys/Tyr	ME830813	0.66	1.36	0.89	1.21
flutolanil	ME831134	0.30	1.95	0.43	1.13
3-Methyleneoxindole	ME831115	0.69	1.97	0.77	0.67
Asp/Met/Met/Arg/Tyr	ME830810	0.60	1.65	0.67	1.08
Cys/Tyr	ME830814	0.60	1.74	0.63	1.17
3-Indoleacetaldoxime	ME831083	0.77	1.74	0.69	0.87
3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one	ME831088	0.53	1.80	0.74	0.93
indole-3-acetonitrile oxide	ME831025	0.65	1.88	0.72	0.87
Quinaldic acid	ME831137	0.58	1.91	0.68	0.96
quinoline-4-carboxylate	ME831095	0.60	2.05	0.60	0.89
1H-Indole-3-acetamide	ME830338	0.71	1.89	0.60	0.90
6-Hydroxy-R-acenocoumarol	ME831001	0.66	1.90	0.53	1.04

Factors:

F1	Sample source:Plasmodium cells \| Treatment:DMSO
F2	Sample source:Plasmodium cells \| Treatment:KAE609_20x_IC50
F3	Sample source:Plasmodium cells \| Treatment:KAE609_5x_IC50
F4	Sample source:Plasmodium cells \| Treatment:WJM992

Data matrix