Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003817)

(Analysis AN006275)

Metabolite	Structure	F1	F2	F3	F4
(R)-4-((7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010241	0.45	0.06	4.81	0.18
Aminocarb	ME1009178	2.98	0.13	0.33	0.11
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	ME1010311	0.93	2.98	0.35	0.19
3-Hydroxy-9Z-octadecenoylcarnitine	ME1010051	0.17	3.23	0.45	0.34
9H-Purine-9-ol	ME1008872	0.16	3.22	0.08	0.07
1-Deoxy-1-morpholino-D-fructose	ME1009360	0.34	2.79	0.25	0.25
Icosa-8,11,14-trienoylcarnitine	ME1010067	0.26	2.68	0.45	0.59
Persin	ME1009867	0.51	2.75	0.43	0.78
9-Hexadecenoylcarnitine	ME1009918	0.04	1.96	0.76	0.20
Bilirubin	ME1010198	0.08	2.52	0.77	0.09
3-Hydroxy-cis-5-tetradecenoylcarnitine	ME1009882	0.91	1.63	0.75	0.43
2-((4R)-4-((5S,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	ME1010126	0.84	1.77	0.70	0.40
Isoxaben	ME1009736	0.79	1.74	0.72	0.49
Ile-Trp	ME1009672	0.45	2.13	0.75	0.34
2,5-Dihydro-2,4-dimethyloxazole	ME1008738	0.76	1.89	0.55	0.61
3-Hydroxy-11Z-octadecenoylcarnitine	ME1010050	0.66	2.02	0.73	0.51
21-Hydroxydydrogesterone	ME1009716	0.62	2.04	0.60	0.47
LPE O-18:2	ME1010095	0.61	2.14	0.51	0.48
3, 5-Tetradecadiencarnitine	ME1009827	0.68	2.37	0.25	0.86
(4R)-4-((2S,3S,5R,7R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010307	0.87	2.40	0.32	0.75
(4Z)-Tetradec-4-enoylcarnitine	ME1009834	0.57	2.05	0.38	1.01
3,7-dimethyl-6-octenyl acetate	ME1009230	0.91	1.91	0.23	0.89
Creatine,anhydrous	ME1008848	0.76	2.04	0.27	0.86
(6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one	ME1009756	0.18	1.83	0.51	0.71
18-fluoro-9Z-octadecenoic acid	ME1009594	0.35	1.96	0.63	1.13
Myristoylglycine	ME1009525	0.34	2.05	0.62	0.99
((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)lysine	ME1010181	0.47	2.25	0.54	0.73
5-(2^-Carboxyethyl)-4,6-Dihydroxypicolinate	ME1009257	0.45	2.09	0.58	0.76
C14Tetradecanoyl-L-Carnitine	ME1009848	0.40	2.10	0.67	0.66
(4R,E)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid	ME1010293	0.33	2.38	0.41	0.76
O-arachidonoylcarnitine	ME1010064	0.21	2.31	0.54	0.87
Ceramide (18:1/16:0)	ME1010183	1.02	0.75	0.62	2.23
Norfenefrine	ME1008946	1.27	0.43	0.72	2.15
13-Docosenamide, (Z)-	ME1009749	0.58	1.13	0.85	1.87
alpha-Spinasterol	ME1009971	0.78	0.95	0.84	1.87
Bile acid	ME1010009	0.76	1.41	0.63	1.41
4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline	ME1009059	0.50	1.33	0.82	1.70
Stigmastan-3,5-diene	ME1009915	0.46	1.56	0.67	1.59
4.Phaeophorbide a	ME1010202	0.36	0.92	1.79	0.37
N-Acetylmannosamine	ME1009160	0.37	1.34	1.70	0.17
Pyridoxine	ME1009013	0.17	1.27	1.91	0.31
Carissic acid	ME1010044	0.58	2.02	1.21	0.53
10-MethylHexadecanoylcarnitine	ME1009973	0.42	1.60	1.31	0.65
Citropten	ME1009168	0.50	1.68	1.05	0.55
Cytidine	ME1009510	0.47	1.59	1.19	0.51
Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol	ME1009906	0.56	1.31	1.50	0.51
(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3 / (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epicholecalciferol	ME1009966	0.47	1.40	1.30	0.44
Guanidinobutyric acid methyl ester	ME1008969	0.59	1.44	1.25	0.44
2,5-Diethyl-3-methylpyrazine	ME1008932	1.49	0.77	1.10	0.28
3-Hydroxy-4-(Succin-2-Yl)-Caryolane Delta-Lactone	ME1009761	1.48	0.90	0.96	0.33
beta-Tocopherol	ME1009983	1.51	0.88	1.00	0.18
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine	ME1010172	0.91	1.35	1.18	0.12
4-Hydroxy-6-Methyl-2-Pyrone	ME1008824	1.00	1.14	1.11	0.33
Indole-3-acetyl-L-isoleucine	ME1009534	1.23	1.37	0.80	0.20
rac-B-tocopherol	ME1009984	1.09	1.38	0.99	0.20
Gly Pro Ile	ME1009524	1.17	1.23	0.95	0.31
PC(16:0/18:2)	ME1010225	1.24	1.18	0.93	0.42
cis-Acetylacrylate	ME1008785	1.22	1.04	1.11	0.25
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde	ME1010022	1.34	0.99	0.99	0.36
3-Hydroxykynurenamine	ME1009054	1.30	1.12	0.93	0.29
alpha-Tocopherolquinone	ME1010062	1.31	1.00	0.94	0.24
Eicosanoids_PGD1_	ME1009745	1.22	1.79	0.39	0.20
Cer(t18:0/16:0)	ME1010189	1.43	1.36	0.48	0.28
N-Methylhydantoin	ME1008788	1.63	1.14	0.50	0.44
Cholesta-5,8(9)-dien-3beta-ol	ME1009877	0.36	1.28	1.33	0.93
25-Hydroxycholesterol	ME1010003	0.37	1.19	1.47	0.94
9-Stearolic acid	ME1009680	0.45	1.18	1.38	0.97
Methyl trans-p-methoxycinnamate	ME1009107	0.40	1.34	1.13	1.25
Ser Ile Leu Leu	ME1010059	0.32	1.32	1.27	1.16
AmorolfineHCL	ME1009833	0.39	1.43	1.17	1.03
Demethyltexasin	ME1009451	0.43	1.34	1.15	0.97
2-[4-(diethylamino)phenyl]-6-hydroxy-3-azabicyclo[4.4.0]dec-3-yl 2-methoxyphen yl ketone	ME1010087	0.54	1.38	1.14	0.89
7-dehydrocholesterol	ME1009880	0.51	1.44	1.09	0.92
7-Oxocholesterol	ME1009931	0.43	1.50	1.16	0.83
9S,12S,13S-trihydroxy-10E-octadecenoic acid	ME1009727	0.50	1.46	1.12	0.83
Italipyrone	ME1009926	0.51	1.47	0.89	1.25
Ala Leu Leu	ME1009665	0.59	1.41	0.95	1.12
(R)-4-((3R,5R,6R,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009943	0.53	1.42	1.03	1.03
N8-Acetylspermidine	ME1009085	0.62	1.29	0.99	1.18
3-Oxo-5beta-chola-7,11-dien-24-oic Acid	ME1009838	0.70	1.22	0.98	1.18
Bufadienolide	ME1009802	0.76	1.23	0.91	1.19
Oxindole	ME1008862	0.72	1.25	1.01	1.03
25-hydroxy-16,17-didehydrovitamin D3 / 25-hydroxy-16,17-didehydrocholecalciferol	ME1009922	0.73	1.30	0.93	1.08
PE(16:1/0:0)	ME1010070	0.69	1.29	0.96	1.13
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009852	0.66	1.45	0.78	1.23
6-Hydroxynon-6-enoylcarnitine	ME1009663	0.73	1.33	0.82	1.25
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009801	0.71	1.55	0.68	1.12
L-Methionine sulfoxide	ME1008998	0.75	1.48	0.79	0.96
methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate	ME1009678	0.79	1.41	0.84	0.91
2-methyl-2-(3-pentadecylphenoxy)propanoic acid	ME1009969	0.84	1.40	0.74	1.03
3.alpha.,7.alpha.,12.alpha.-Trihydroxycholestanoic acid	ME1010107	0.80	1.40	0.75	1.09
calicoferol E	ME1009921	0.70	1.44	0.84	1.00
24,25-hydroxyvitamin D3	ME1009987	0.75	1.41	0.82	1.05
NCGC00380668-01_C48H78O18_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid	ME1010309	0.75	1.40	0.81	1.07
Laprafylline	ME1010151	0.84	1.24	0.99	0.85
PC(18:1/20:3)	ME1010285	0.86	1.31	0.94	0.80
Oleamide	ME1009513	0.74	1.27	1.04	0.91
Hydrocotarnine	ME1009233	0.81	1.27	0.93	0.98
Glu Pro	ME1009328	0.78	1.30	0.96	0.93
N-(6-aminohexanoyl)-6-aminohexanoic acid	ME1009333	0.75	1.34	0.94	0.94
MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)	ME1009864	0.67	1.47	0.90	0.91
N-Palmitoyl Lysine	ME1009879	0.68	1.49	0.90	0.85
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z))	ME1010186	0.63	1.43	0.99	0.92
N,N-Dimethylsphingosine	ME1009715	0.65	1.44	1.00	0.82
1-(1-Pyrrolidinyl)-2-propanone	ME1008833	0.69	1.39	1.00	0.83
Urothion	ME1009698	0.71	1.38	1.00	0.82
LysoPE(18:0/0:0)	ME1010129	0.77	1.48	0.85	0.80
PE O-14:0_4:0	ME1010128	0.81	1.40	0.88	0.82
3-Hydroxyoctadecanoylcarnitine	ME1010057	0.83	1.40	0.92	0.70
4-Heptanone	ME1008790	0.77	1.45	0.94	0.67
Arginyl-prolyl-proline	ME1009828	0.74	1.47	0.93	0.72
1-heptadecanoyl-sn-glycero-3-phosphocholine	ME1010157	0.62	1.59	0.93	0.93
L-threo-Sphingosine C-18	ME1009591	0.59	1.62	0.88	0.83
GABA-C6:0	ME1009150	0.50	1.54	0.92	1.05
PC(O-16:1/0:0)	ME1010123	0.50	1.65	0.86	0.99
LDGTS 4:0	ME1009611	0.49	1.64	0.82	1.11
PC(20:3/0:0)	ME1010187	0.54	1.65	0.77	1.07
SM(d18:1/14:0)	ME1010214	0.65	1.81	0.82	0.98
LPC O-14:1	ME1010073	0.71	1.76	0.62	0.83
LysoPC(P-18:1(9Z)/0:0)	ME1010154	0.70	1.70	0.65	0.92
Urobilinogen	ME1010200	0.64	1.76	0.62	0.96
delta-Tocotrienol	ME1009912	0.51	1.77	0.66	0.96
Octopamine	ME1008945	0.60	1.68	0.73	0.98
Xanthosine	ME1009521	0.62	1.67	0.74	0.94
Val Pro	ME1009202	0.83	1.65	0.54	0.95
3-ketosphinganine	ME1009590	0.69	1.63	0.81	0.74
Docosahexaenoic acid	ME1009719	0.71	1.61	0.78	0.81
d-Dethiobiotin	ME1009136	0.86	1.55	0.68	0.81
Succinate	ME1008749	0.83	1.65	0.74	0.82
LPC 15:0-SN1	ME1010127	0.75	1.61	0.71	0.86
PC(20:1(11Z)/14:1(9Z))	ME1010230	0.80	1.64	0.65	0.82
Lauroylcarnitine	ME1009770	0.58	1.91	0.61	0.78
Pregnenolone	ME1009585	0.54	1.89	0.74	0.65
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol	ME1010048	0.42	1.87	0.79	0.85
Milciclib	ME1010089	0.48	1.77	0.82	0.86
Saringosterol 3-glucoside	ME1010201	0.50	1.81	0.92	0.81
7 alpha,26-Dihydroxy-4-cholesten-3-one	ME1009985	0.55	1.77	0.85	0.66
Protoporphyrin IX	ME1010191	0.69	1.75	0.84	0.69
5(Z),11(Z),14(Z)-Eicosatrienoic acid	ME1009615	0.39	1.97	1.04	0.84
Psychosine	ME1010092	0.36	1.71	1.03	0.80
Vaccenyl carnitine	ME1010010	0.47	1.69	1.07	0.76
Ser Phe	ME1009376	1.23	1.12	0.50	1.30
Butyryl carnitine (isomer of 920)	ME1009279	1.40	1.40	0.25	0.91
Glu Lys His	ME1009963	1.26	1.33	0.35	1.13
3-Methyl-2-Oxindole	ME1008922	1.26	1.44	0.28	1.05
Pro Ile Asp Asn	ME1010086	1.25	1.38	0.37	1.01
1-Monopalmitin	ME1009730	0.93	1.29	1.03	0.50
2-Octen-4-one	ME1008829	0.87	1.30	1.13	0.54
1-Stearoyl-Sn-Glycerol-3-Phosphocholine	ME1010171	0.98	1.35	0.92	0.51
3-(2,4-Dihydroxyphenyl)propanoic acid	ME1009065	1.04	1.34	0.85	0.52
Pentaethylene glycol	ME1009309	0.93	1.33	0.90	0.68
PC(20:0/14:1(9Z))	ME1010235	0.94	1.38	0.88	0.60
PC(20:1(11Z)/14:0)	ME1010234	0.90	1.36	0.93	0.60
4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	ME1010021	0.90	1.12	1.18	0.61
beta-Alanine	ME1008725	0.95	1.10	1.13	0.63
MG(O-18:0/0:0/0:0)	ME1009777	0.91	1.01	1.20	0.73
N-Linoleoyl Lysine	ME1009953	0.86	1.10	1.18	0.72
Dopamine	ME1008869	1.04	1.19	1.10	0.64
PC(18:1(11Z)/18:1(9Z))	ME1010269	0.89	1.28	1.02	0.63
Cyclohepta-1,3,5-trione	ME1008891	0.92	1.16	1.07	0.71
N-Fructosyl isoleucine	ME1009473	0.93	1.18	1.07	0.62
Sarcosine	ME1008860	0.85	1.23	1.07	0.70
Glycylleucine	ME1009089	0.88	1.25	1.00	0.75
5,6-dihydrothymine	ME1008836	0.95	1.21	0.98	0.72
Tibolone	ME1009645	0.91	1.21	1.02	0.72
PC(18:2/20:4)	ME1010274	1.03	1.15	1.01	0.66
1,2-dipalmitoyl-sn-glycero-3-PC	ME1010220	0.98	1.18	1.01	0.67
(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.02,1?.0?,?.01?,1?]icosane-5,15-dicarboxylic acid	ME1010136	0.99	1.14	1.04	0.67
PC(16:1(9Z)/18:0)	ME1010237	1.02	1.11	0.98	0.77
2-Methylimidazole	ME1008720	0.97	1.13	1.02	0.76
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	ME1010304	1.00	1.15	0.98	0.73
piperettine	ME1009747	1.00	1.15	0.99	0.71
PC 16:0_16:0	ME1010222	1.00	1.22	0.95	0.64
PC(18:0/20:4)	ME1010291	1.05	1.19	0.91	0.72
1-Palmitoylphosphatidylcholine	ME1010147	0.97	1.26	0.89	0.76
Nona-trans-2-cis-6-dien-1-al	ME1008883	0.98	1.24	0.93	0.71
VitB12	ME1009322	0.97	1.23	0.94	0.72
cyclo(L-Leu-L-4-hydroxy-Pro)	ME1009255	0.94	1.30	0.71	1.11
taurohyodeoxycholic acid	ME1010094	1.00	1.24	0.75	1.04
1alpha-hydroxy-24-oxo-26,27-cyclovitamin D3 / 1alpha-hydroxy-24-oxo-26,27-cyclocholecalciferol	ME1009967	0.94	1.28	0.67	1.22
Imperialine	ME1010071	0.94	1.22	0.73	1.22
Baikiain	ME1008831	1.02	1.23	0.67	1.16
Benzaldehyde	ME1008766	1.06	1.19	0.64	1.22
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	ME1009004	1.23	1.24	0.54	1.00
Val-DCA	ME1010140	1.18	1.25	0.58	0.96
2-Hydroxy cinnamic acid	ME1008991	1.29	1.14	0.56	1.04
4-(2,5-Diethoxy-4-nitrophenyl)morpholine	ME1009565	1.24	1.17	0.55	1.10
Ethephon	ME1008905	1.17	1.10	0.78	0.92
2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde	ME1008929	1.16	1.09	0.76	0.98
Sodium taurodeoxycholate	ME1010150	1.14	1.11	0.75	1.00
PC(16:0/18:2(9Z,12Z))	ME1010224	1.21	1.05	0.70	1.08
Seritranolides C	ME1009427	1.23	1.05	0.67	1.10
4-Methylpentanoylcarnitine	ME1009406	1.24	1.11	0.69	0.92
Hecogenin	ME1010025	1.27	1.09	0.64	1.00
Valine	ME1008796	1.25	1.03	0.71	1.01
Genistein	ME1009450	1.21	1.09	0.71	0.98
N-(3-oxo-hexanoyl)-homoserine lactone	ME1009195	1.24	1.08	0.69	0.99
LPC 14:0-SN1	ME1010106	1.20	1.18	0.70	0.85
LPE O-18:3	ME1010091	1.14	1.18	0.75	0.86
LysoPC(16:1(9Z)/0:0)	ME1010144	1.10	1.25	0.71	0.87
Isoelemicin	ME1009175	1.04	1.25	0.76	0.90
Methylimidazole acetaldehyde	ME1008820	1.07	1.21	0.76	0.93
Methylimidazoleacetic acid	ME1008894	1.14	1.14	0.69	1.06
1,1^-[1,11-Undecanediylbis(oxy)]bisbenzene	ME1009757	1.08	1.18	0.70	1.07
(3R)-3-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid	ME1009812	1.07	1.18	0.70	1.10
Taccagenin	ME1010061	1.04	1.15	0.78	1.05
Thr Val Ile	ME1009733	1.04	1.18	0.75	1.05
2-((4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	ME1010119	1.08	1.15	0.75	1.04
N-decanoyl-L-Homoserine lactone	ME1009390	1.11	1.16	0.72	1.02
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)	ME1009863	1.10	1.25	0.63	1.03
Triethylamine	ME1008755	1.16	1.22	0.66	0.92
Glycitein	ME1009520	1.14	1.16	0.71	0.98
SC-514	ME1009242	1.12	1.22	0.68	0.97
Sotrastaurin	ME1010041	1.13	1.20	0.66	1.01
4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzoic acid	ME1009501	0.98	1.33	0.79	0.79
Match to DEET Diethyltoluamide)	ME1009100	1.03	1.28	0.78	0.81
MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)	ME1010028	0.93	1.27	0.88	0.85
PC(16:0/0:0)	ME1010149	0.98	1.27	0.82	0.84
Taurocholate	ME1010163	0.94	1.32	0.82	0.84
3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid	ME1009840	0.93	1.31	0.79	0.95
LPC O-16:1	ME1010124	0.88	1.32	0.82	0.95
16-Dehydroepicalcitriol	ME1009979	0.98	1.28	0.75	0.97
1-Naphthylmethanol	ME1008893	0.98	1.32	0.73	0.93
L-2-Aminoadipic acid	ME1008982	0.98	1.48	0.56	0.96
Sedanonic acid	ME1009186	0.96	1.44	0.57	1.08
Creatinine,anhydrous	ME1008779	1.05	1.34	0.63	0.95
Hydroxyamobarbital	ME1009324	1.01	1.33	0.67	0.98
1,4-Methylimidazoleacetic acid	ME1008892	0.93	1.44	0.67	0.93
PC O-18:0	ME1010174	0.88	1.42	0.73	0.92
Cer(d18:0/16:0(2OH))	ME1010188	1.21	1.38	0.56	0.54
(9E)-octadec-9-enedioic acid	ME1009646	1.21	1.28	0.67	0.70
Deoxyelephantopin	ME1009773	1.20	1.25	0.67	0.77
PC(18:3/20:1)	ME1010288	1.04	1.34	0.74	0.75
LysoPC(P-16:0/0:0)	ME1010152	1.07	1.33	0.72	0.77
Ser Leu Ile	ME1009732	1.08	1.35	0.70	0.75
1-Hexadecanoyl-sn-glycero-3-phosphocholine	ME1010165	1.09	1.26	0.83	0.64
PC(20:3(8Z,11Z,14Z)/16:0)	ME1010252	1.13	1.33	0.74	0.61
2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine	ME1009452	0.97	1.47	0.72	0.69
3-Palmitoyl-sn-glycerol	ME1009652	1.13	1.45	0.58	0.68
Panaxynol	ME1009437	1.13	1.41	0.55	0.81
Leu Asp Val	ME1009778	1.01	1.49	0.60	0.80
N-acetyl-tryptophan	ME1009343	1.04	1.49	0.56	0.84
Glutaryl-carnitine; AIF; CE00; CorrDec	ME1009472	1.15	0.55	1.00	1.61
PC(20:2(11Z,14Z)/16:1(9Z))	ME1010258	1.04	0.80	0.86	1.58
3a,7a-Dihydroxycholanoic acid	ME1010260	1.03	0.83	0.96	1.35
gamma-Glutamylvaline	ME1009345	1.11	0.79	0.96	1.28
Meta-Tyrosine	ME1009060	1.12	0.70	0.98	1.39
9(S)-HpOTrE	ME1009550	1.06	0.72	1.01	1.41
PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	ME1010245	1.07	0.71	1.01	1.41
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol	ME1009555	1.19	0.72	0.88	1.43
(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one	ME1008996	1.09	0.78	0.91	1.44
7S,8S-DiHOTrE	ME1009634	1.20	0.79	0.78	1.45
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid	ME1009991	1.07	0.89	0.87	1.32
Bis(2-ethylhexyl)-phthalate	ME1009964	1.05	0.91	0.83	1.43
His Asn Ile	ME1009870	1.12	0.86	0.81	1.41
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009851	0.69	1.05	1.05	1.42
N-Acetyl-DL-leucine	ME1008953	0.62	1.12	1.09	1.35
poriferasta-5,22E-dien-3beta-ol	ME1009972	0.68	1.23	0.91	1.37
Cuelure	ME1009169	0.69	1.25	0.82	1.48
Diplodiatoxin	ME1009621	0.68	1.15	0.91	1.51
calicoferol A	ME1009913	1.02	1.12	0.75	1.22
D-Leucine	ME1008850	1.07	1.02	0.82	1.18
Ile Phe	ME1009492	1.05	1.05	0.78	1.24
25-hydroxy-1-oxo-3-epiprevitamin D3 / 25-hydroxy-1-oxo-3-epiprecholecalciferol	ME1009978	0.84	1.11	0.95	1.20
(2S,2^S)-Pyrosaccharopine	ME1009402	0.85	1.12	0.90	1.26
Asn His Leu	ME1009871	0.98	0.98	0.92	1.24
Mono(1-ethylhexyl) phthalate	ME1009490	0.99	0.99	0.90	1.25
PC(18:1/20:4)	ME1010280	0.98	0.99	0.90	1.27
N-Methyl-2-pyrrolidone	ME1008742	0.93	1.07	0.88	1.23
Violet-leaf aldehyde	ME1008884	0.97	1.03	0.91	1.20
1-Phenyl-1-cyclohexene	ME1008965	0.90	1.04	0.91	1.30
PC(16:0/20:3)	ME1010254	0.92	1.07	0.84	1.35
Hyocholic acid	ME1009951	1.02	1.13	0.62	1.47
Schidigeragenin B	ME1010019	0.97	1.14	0.62	1.53
Acetyl tributyl citrate	ME1009932	0.93	0.99	0.82	1.52
Bemegride	ME1008954	0.84	1.17	0.74	1.50
Spirostane-3,6-dione	ME1010018	0.89	1.09	0.76	1.52
5-Aminolevulinic acid	ME1008943	1.29	0.72	1.18	0.62
Atenolol-desisopropyl	ME1009247	1.28	0.74	1.10	0.77
PC(14:1(9Z)/0:0)	ME1010098	1.23	0.80	1.09	0.77
Scopoletin	ME1009112	1.25	0.79	1.13	0.73
estrane-3alpha,17alpha-diol	ME1009493	1.24	0.81	1.11	0.67
Phenol, 4-(2-aminoethyl)-	ME1008806	1.17	0.81	1.18	0.68
Tributyl Phosphate	ME1009438	1.21	0.78	1.18	0.66
1-Stearoyl-2-Arachidonoyl PC	ME1010290	1.26	0.98	0.97	0.60
PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	ME1010302	1.26	0.95	0.98	0.64
PC(16:0/16:0)	ME1010221	1.28	0.91	1.04	0.53
NCGC00347704-02_C24H32O7_2H-Oxireno[1,10a]phenanthro[3,2-b]furan-10(11bH)-one, 5,7-bis(acetyloxy)-3,3a,4,5,6,7,7a,7b,8,8a-decahydro-4,4,7a,11-tetramethyl-, (1aS,3aR,5S,7S,7aR,7bS,8aR,11bR)-	ME1009975	1.16	0.93	1.10	0.62
LPE O-15:1	ME1009994	1.22	0.92	1.06	0.59
PC(16:1(9Z)/18:1(11Z))	ME1010231	1.23	0.91	1.05	0.61
4-Vinylphenol	ME1008808	1.12	1.00	1.06	0.64
Chimyl alcohol	ME1009671	1.11	1.01	1.02	0.70
(4E,14Z)-2-Aminooctadeca-4,14-diene-1,3-diol	ME1009577	1.22	0.96	1.04	0.70
Deoxycorticosterone	ME1009726	1.17	0.98	0.97	0.76
15(S)-Hydroxyeicosatrienoic acid	ME1009609	1.03	1.02	1.17	0.56
D-(+)-dihydrocarvone	ME1008941	1.00	1.00	1.17	0.64
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009800	1.06	1.09	1.10	0.48
L-Histidinol	ME1008818	1.11	1.02	1.11	0.54
Ser Ser Ile	ME1009610	1.12	1.02	1.09	0.55
9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester	ME1009616	1.18	0.84	1.16	0.55
DL-Lauroylcarnitine	ME1009925	1.07	0.86	1.27	0.62
PC(15:0/0:0)	ME1010130	1.05	0.94	1.23	0.56
4-Ethoxybenzaldehyde	ME1008931	1.05	0.63	1.52	0.58
C18(Plasm)-18:1 PC	ME1009518	1.03	0.67	1.46	0.67
Ala-DCA	ME1010096	1.10	0.77	1.33	0.61
Cer(d18:0/16:0)	ME1010184	1.07	0.75	1.37	0.62
amyl amine-C14:1	ME1009564	1.10	0.63	1.33	0.65
DG 33:3	ME1010204	1.05	0.68	1.33	0.69
PC(16:0/20:4)	ME1010250	1.23	0.68	1.29	0.59
PC(18:2/22:5)	ME1010299	1.16	0.71	1.33	0.59
Carbetapentane	ME1009738	1.12	0.77	1.26	0.69
Laurocapram	ME1009512	1.20	0.70	1.26	0.70
1-(hydroxyamino)pentadecan-2-ol	ME1009408	1.38	0.62	1.22	0.55
Coprostanone	ME1009832	1.38	0.51	1.31	0.59
Enallylpropymal	ME1009245	1.26	0.68	1.33	0.45
LysoPS(18:0/0:0)	ME1010176	1.28	0.79	1.21	0.44
PC(0:0/18:0)	ME1010175	0.88	1.09	1.32	0.42
PE(18:1(9Z)/0:0)	ME1010122	0.79	1.06	1.48	0.35
Lys Thr His	ME1009875	0.81	0.73	1.55	0.82
1-Phenyl-1,3-docosanedione	ME1009982	0.84	0.74	1.51	0.78
Heptadecasphinganine	ME1009530	0.86	0.75	1.50	0.79
amyl amine-C16:0	ME1009702	0.92	0.76	1.45	0.74
beta-Thujaplicin	ME1008995	0.90	0.80	1.46	0.70
PC(18:0/18:2(9Z,12Z))	ME1010270	0.93	0.81	1.43	0.68
5-Hydroxyoxindole	ME1008928	0.83	0.90	1.45	0.65
1-Hexadecanoyl-2-Octadecadienoyl-Sn-Glycero-3-Phosphocholine	ME1010259	0.79	0.89	1.46	0.73
N-(1-Deoxy-1-fructosyl)alanine	ME1009369	0.85	0.85	1.43	0.72
7alpha-Hydroxycholesterol	ME1009826	0.74	1.15	1.32	0.58
Brassicasterol	ME1009868	0.91	1.01	1.32	0.54
PC(16:1/0:0)	ME1010143	0.84	0.98	1.37	0.61
Terbucarb	ME1009485	0.82	1.01	1.37	0.62
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate	ME1010060	0.97	0.85	1.40	0.57
5-hydroxyculmorin	ME1009303	0.92	0.96	1.27	0.68
1-Octadecanamine	ME1009449	0.87	0.94	1.31	0.75
(2^R,4R,5^R,6aR,6bS,8aS,8bR,9S,11aS,12aR,12bS)-5^,6a,8a,9-tetramethyl-1,3,3^,4,4^,5,5^,6,6a,6b,6^,7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2^,1^:4,5]indeno[2,1-b]furan-10,2^-pyran]-4-ol	ME1010037	0.91	0.95	1.27	0.74
PC(18:3(9Z,12Z,15Z)/18:0)	ME1010256	0.98	0.85	1.33	0.70
Ser-Leu	ME1009221	0.99	0.86	1.26	0.75
9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid	ME1009635	1.24	1.14	0.80	0.65
Pivaloylcarnitine	ME1009341	1.25	1.21	0.72	0.65
Isoalantolactone	ME1009284	1.23	1.10	0.80	0.75
5-Ethyl-2-methylthiazole	ME1008830	1.17	1.12	0.88	0.65
Pro Val	ME1009203	1.15	1.16	0.86	0.67
PC(16:0/22:4)	ME1010286	1.21	1.05	0.92	0.64
Cer(d18:0/12:0)	ME1010131	1.25	1.04	0.87	0.69
Oseltamivir acid	ME1009522	1.19	1.09	0.86	0.71
N1,N12-Diacetylspermine	ME1009527	1.14	1.10	0.85	0.82
PC(18:2/20:3)	ME1010281	1.11	1.09	0.87	0.88
Diosgenin	ME1009981	1.15	1.04	0.87	0.87
N-Acetyl-Dl-Glutamic Acid	ME1009187	1.13	1.05	0.88	0.86
PC(18:1(11Z)/16:1(9Z))	ME1010226	1.13	1.08	0.90	0.78
alpha-Humulene	ME1009165	1.09	1.10	0.92	0.75
PC(P-18:1(9Z)/18:2(10E,12Z)+=O(9))	ME1010249	1.08	1.09	0.95	0.76
5-5^-Dehydrodiferulic acid	ME1009884	1.05	1.07	0.95	0.84
(Z)-3-Hexenal	ME1008730	1.05	1.09	0.95	0.83
Cyclohexylamine	ME1008747	1.09	1.02	0.96	0.86
RisedondrateNa	ME1009607	1.10	1.02	0.94	0.89
PC(18:1(11Z)/18:3(6Z,9Z,12Z))	ME1010247	1.10	1.00	0.98	0.83
2-Heptanone	ME1008793	1.11	1.03	0.95	0.82
4-Hydroxy-6-Methylpyran-2-One	ME1008825	1.10	1.03	0.97	0.79
2-Amino-4-methylpentanoic acid	ME1008851	1.19	0.97	0.88	0.90
5,5-Dimethyl-2-phenylmorpholine	ME1009101	1.18	1.00	0.89	0.87
1-hydroxyhexanoylglycine	ME1009095	1.22	0.95	0.89	0.86
Citrulline	ME1008963	1.22	0.97	0.88	0.85
PC(18:1/18:1)	ME1010266	1.20	0.96	0.92	0.83
PC(18:1(11Z)/18:1(11Z))	ME1010262	1.18	0.97	0.92	0.86
Trehalose	ME1009822	1.18	0.97	0.92	0.84
4-Methoxybenzyl chloride	ME1008957	1.25	0.91	0.87	0.92
Phenethylamine	ME1008813	1.29	0.91	0.87	0.88
TOP19 Psoriasis feature - Unknown FeatureID=3668	ME1010102	1.27	0.92	0.89	0.84
Met His Arg	ME1010052	1.28	1.03	0.78	0.83
LPE O-16:1	ME1010040	1.25	1.01	0.81	0.87
1-Ethylpyrrolidine	ME1008746	1.22	1.03	0.79	0.92
3-Methyl-1-pentyn-3-ol	ME1008733	1.24	1.00	0.80	0.92
Ethyl trans-p-methoxycinnamate	ME1009170	1.24	1.00	0.80	0.92
(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid	ME1009841	1.20	1.00	0.84	0.92
PC(0:0/14:0)	ME1010103	1.16	1.04	0.83	0.93
N-acetyl-beta-D-galactosamine	ME1009161	0.86	1.08	1.12	0.87
Isopentylideneisopentylamine	ME1008956	0.78	1.14	1.13	0.89
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane	ME1009236	0.86	1.17	1.03	0.89
L-Tryptophan	ME1009079	0.82	1.17	1.08	0.85
Octyl phenylacetate	ME1009359	0.83	1.14	1.08	0.90
Isoprocarb	ME1009119	0.96	1.15	0.96	0.84
Stearoylethanolamide	ME1009714	0.94	1.11	1.01	0.89
Urobilin	ME1010199	0.93	1.10	1.01	0.92
6,11-dioxododecanoic acid	ME1009183	0.92	1.14	1.00	0.90
Norepinephrine	ME1009014	0.91	1.16	0.97	0.91
[(2E,6Z,10Z)-7,11-bis(acetyloxymethyl)-3,15-dimethylhexadeca-2,6,10,14-tetraenyl] acetate	ME1010065	0.99	1.09	0.97	0.90
Neodihydroprotolichesterinic acid	ME1009709	0.97	1.12	0.94	0.94
Nalpha-Acetyl-L-lysine	ME1009087	0.90	1.09	1.05	0.93
1-Phenyl-1-pentanone	ME1008986	0.95	1.07	1.00	0.98
Cyclopentasiloxane, decamethyl-	ME1009837	0.94	1.08	1.00	0.95
trans-Allo-ocimene	ME1008768	0.93	1.08	1.01	0.97
Diisopropylphosphate	ME1009066	0.93	1.06	1.03	0.96
13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate	ME1009923	0.92	1.08	1.03	0.95
Arg Tyr Ser	ME1009999	0.91	1.09	1.02	0.94
D-Lysine	ME1008919	0.92	1.06	1.00	1.03
Nuatigenin	ME1010023	0.90	1.08	1.01	1.01
NCGC00385955-01_C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)-2-propanyl]oxy}-2-methoxybenzene	ME1009823	0.90	1.06	1.06	0.97
Ile His Arg Arg	ME1010196	0.91	1.02	1.08	1.00
1-Dodecyl-2-pyrrolidinone	ME1009384	0.90	1.04	1.06	1.01
Octaethylene glycol	ME1009901	0.89	1.05	1.05	1.02
[12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate	ME1009780	0.93	1.12	0.94	1.03
Val Trp	ME1009604	0.94	1.13	0.92	1.02
2-heptylhexanedioic acid	ME1009531	0.96	1.08	0.94	1.03
Val Val Ile	ME1009723	0.95	1.09	0.92	1.06
N-Methylpiperidine	ME1008748	0.90	1.17	0.94	0.98
(Z)-4-Hepten-1-ol	ME1008791	0.90	1.14	0.96	0.99
4-(Butylamino)benzoic acid	ME1009113	0.88	1.15	0.97	1.01
tetradeca-3,5,7-trienedioic acid	ME1009377	0.89	1.14	0.96	1.02
Hexaethylene glycol	ME1009514	0.86	1.14	1.02	0.98
(1S,2S,6R,7R,9R)-6-methyl-10,12-dioxatricyclo[7.2.1.0<2,7>]dodec-4-en-8-one	ME1009122	0.89	1.11	0.99	1.01
Acadesine	ME1009321	0.89	1.11	1.01	0.98
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid	ME1009792	0.86	1.18	0.88	1.15
Spirosta-3,5-diene	ME1009914	0.86	1.24	0.87	1.04
25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 25-hydroxy-23,23,24,24-tetradehydrocholecalciferol	ME1009910	0.87	1.19	0.91	1.07
8-Azabicyclo[3.2.1]octane	ME1008774	0.85	1.20	0.93	1.05
1-Pyrroline-5-carboxylic acid	ME1008778	1.00	1.07	0.89	1.07
Asn Leu	ME1009340	0.99	1.05	0.91	1.08
(4R)-4-((3R,5S,6R,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010001	1.04	1.09	0.85	1.05
L-Serine	ME1008783	1.01	1.08	0.86	1.08
2,4-Hexadien-1-ol	ME1008727	0.93	1.19	0.84	1.06
Phenylacetaldehyde	ME1008809	0.97	1.13	0.87	1.06
(2R,3R,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid	ME1010026	0.98	1.18	0.80	1.10
Ser Leu	ME1009220	0.98	1.14	0.83	1.10
Leu Pro Val	ME1009713	1.07	1.16	0.80	0.94
PC(18:1(9Z)/16:1(9Z))	ME1010228	1.02	1.19	0.84	0.91
Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-	ME1008942	1.03	1.17	0.83	0.94
2-Methyl-1,3-cyclohexadiene	ME1008726	1.08	1.12	0.81	1.00
MG(P-18:0/0:0/0:0)	ME1009765	1.10	1.09	0.85	0.94
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine	ME1010168	1.03	1.12	0.87	0.96
Diisopropylethylamine	ME1008842	1.05	1.11	0.86	0.97
Brassinolide	ME1010125	0.92	1.26	0.86	0.94
Serylvaline	ME1009164	0.91	1.22	0.88	0.98
Pipecolinic Acid	ME1008841	0.97	1.21	0.87	0.89
(2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid	ME1009977	0.99	1.12	0.90	0.98
PC 16:0e	ME1010148	0.97	1.15	0.89	0.97
1-Oleoyl-Sn-Glycero-3-Phosphocholine	ME1010169	0.96	1.18	0.90	0.93
(2E,4Z)-2,4-nonadienal	ME1008885	0.94	1.16	0.93	0.93
4-Hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidine	ME1009152	1.12	0.82	1.10	0.92
2,4,6-Tris(2-pyridyl)-s-triazine	ME1009644	1.14	0.82	1.09	0.89
16-Hydroxyhexadecanoic acid	ME1009387	1.15	0.84	1.07	0.88
3-ethyl-4-hydroxy-5,7-dimethylhydroquinolin-2-one	ME1009417	1.15	0.83	1.07	0.90
3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al	ME1010024	1.15	0.92	1.04	0.79
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	ME1010298	1.14	0.93	1.01	0.85
3,3^-Iminodipropionitrile	ME1008819	1.10	0.91	1.06	0.85
4-Methylethcathinone	ME1009099	1.12	0.89	1.05	0.90
Acetylcimigenol arabinoside	ME1010215	1.15	0.89	1.03	0.87
(R)-N-Methylsalsolinol	ME1009114	0.97	1.07	1.06	0.79
5-Hydroxykynurenamine	ME1009055	0.98	0.99	1.11	0.83
4-Ethoxy-4-oxobut-2-enoic acid	ME1008906	1.02	0.98	1.07	0.87
PC(18:1(9Z)/18:1(11Z))	ME1010263	1.02	0.98	1.05	0.88
2-Methoxy-5-prop-1-enylphenol	ME1008994	1.01	1.02	1.04	0.85
PC(22:1(13Z)/14:1(9Z))	ME1010268	1.03	1.03	1.02	0.85
Pro Asp Leu	ME1009768	1.03	1.01	1.03	0.85
Cyclopentamine	ME1008898	1.06	0.96	1.02	0.93
Isoamyl 2-furonpropionate	ME1009182	1.05	0.95	1.01	0.95
2-Ethyl-3,4-dihydroxyfuran	ME1008835	1.09	0.98	0.99	0.89
Leucyl-Alanine	ME1009158	1.06	0.99	1.00	0.90
2,4-Pentanedione	ME1008750	1.11	0.94	1.00	0.90
(2S,3S,7S,10S)-3,7,10-trimethyldodecahydrocyclopenta[b]quinolizine-2-carbaldehyde	ME1009363	1.08	0.94	1.03	0.88
Piperdial	ME1009364	1.07	0.89	1.10	0.88
NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid	ME1010135	1.05	0.92	1.10	0.87
cyclo(glycylprolyl)	ME1008948	1.06	0.93	1.10	0.83
Isophorone	ME1008882	1.06	0.93	1.09	0.85
Austrobuxusin J	ME1010210	1.05	0.91	1.08	0.92
Lys Val Tyr Lys	ME1010178	1.03	0.92	1.09	0.90
Etiracetam	ME1009016	1.02	0.91	1.12	0.89
N,2,3-Trimethyl-2-(1-methylethyl)butanamide	ME1009019	1.01	0.90	1.13	0.93
Nefopam N-oxide	ME1009447	1.08	0.71	1.28	0.86
Palmitamide	ME1009393	1.12	0.74	1.25	0.80
Glyceryl monolinoleate	ME1009804	1.09	0.80	1.21	0.79
Octadecanamide	ME1009517	1.06	0.79	1.24	0.84
D-Alloisoleucine	ME1008853	1.06	0.94	1.10	0.79
Hapalindole A	ME1009751	1.06	0.98	1.10	0.73
PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	ME1010282	1.09	0.94	1.10	0.74
N-Oleoyl Leucine	ME1009908	1.02	0.93	1.19	0.69
Dehydrophytosphingosine	ME1009666	1.08	0.92	1.16	0.69
PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	ME1010305	1.07	0.94	1.17	0.64
Glutaric acid	ME1008786	1.15	0.78	1.16	0.82
Uracil	ME1008777	1.16	0.79	1.15	0.81
PC(20:0/18:4(6Z,9Z,12Z,15Z))	ME1010292	1.14	0.86	1.12	0.76
1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene	ME1009403	1.11	0.88	1.16	0.71
1-Phenylheptane	ME1009041	1.13	0.86	1.15	0.74
5,8,11-Eicosatrienoic acid	ME1009720	1.12	0.87	1.15	0.74
2,6-Dimethyl-4-hydroxybenzaldehyde	ME1008930	1.02	0.88	1.19	0.81
Putative (3-hydroxyheptadecanoyl)glycine	ME1009771	1.08	0.86	1.15	0.82
Glucosamine-1P	ME1009404	1.01	0.81	1.13	1.11
Amantadine	ME1008864	0.99	0.81	1.13	1.15
Thionin	ME1008873	0.97	0.82	1.14	1.15
alpha-Methylstyrene	ME1008798	0.98	0.89	1.08	1.11
Ethyl isobutyl ketone	ME1008792	0.98	0.84	1.11	1.12
trans-Zeatin	ME1009224	0.96	0.87	1.12	1.12
Lys-C5:0 minus a CH2	ME1009210	1.03	0.75	1.14	1.15
Gentiatibetine	ME1009001	0.94	0.80	1.22	1.10
PC(20:2/20:4)	ME1010300	0.95	0.80	1.16	1.20
tetradeca-2,4,6-trienoic acid	ME1009239	0.96	0.79	1.16	1.17
6-(Dipropylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol	ME1009424	0.95	0.77	1.21	1.15
Pyridazine-3,6-diol	ME1008776	0.99	0.76	1.18	1.15
Thymine	ME1008826	0.97	0.79	1.18	1.13
4-Deoxypyridoxine	ME1008944	1.07	0.88	0.95	1.20
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid	ME1009331	1.10	0.84	0.97	1.19
6-Methylgingediol	ME1009630	1.09	0.73	1.08	1.20
PE(17:1(9Z)/0:0)	ME1010100	1.10	0.76	1.04	1.21
3-hydroxytetradeca-6,8,10-trienoic acid	ME1009310	1.06	0.82	1.06	1.13
Octadeca-2,4-dienedioic acid	ME1009629	1.05	0.80	1.08	1.12
(R)-4-((3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009810	1.04	0.81	1.07	1.14
2-isopropylcyclopentanone	ME1008828	1.08	0.79	1.03	1.18
4-[3]-ladderane-butanoic acid	ME1009357	1.07	0.81	1.04	1.16
E-64c	ME1009658	1.03	0.94	1.03	1.00
(3-Methyl-2-butenyl)-benzene	ME1008920	1.00	0.96	1.04	1.00
6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole	ME1009974	1.01	0.93	1.06	1.00
2-Hexenal	ME1008731	1.06	0.88	1.07	0.99
Metacetamol	ME1008935	1.06	0.88	1.06	0.99
Citreoviridin putative annotated in Paecelomyces	ME1009995	1.06	0.90	1.05	0.98
Pinolenic acid	ME1008971	1.05	0.90	1.05	0.99
L-Citrulline	ME1009033	1.06	0.90	1.03	1.01
Normetanephrine	ME1009069	1.06	0.90	1.04	1.00
1-(1-Methylethenyl)-4-(1-methylethyl)benzene	ME1008974	1.03	0.90	1.10	0.96
3-Hydroxybenzyl alcohol	ME1008765	1.02	0.89	1.10	1.00
Fructosylvaline	ME1009497	1.08	0.88	1.07	0.94
N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline	ME1009132	1.08	0.87	1.09	0.91
3,5,5-Trimethyl-3-cyclohexen-1-one	ME1008881	1.07	0.85	1.07	1.01
D-Histidine	ME1008952	1.08	0.84	1.08	1.02
4,5-(methanoxyethano)isolongifol-4-ene	ME1009416	1.10	0.84	1.05	0.97
h_92_oxabolone	ME1009537	1.10	0.85	1.07	0.96
1,3,5,11-Bisabolatetraen-10-one	ME1009214	1.07	0.86	1.04	1.07
2-isopropyl-5-methylfuran	ME1008821	1.07	0.86	1.01	1.11
Styrene	ME1008763	1.11	0.84	1.02	1.08
Mephobarbital	ME1009342	1.13	0.83	1.03	1.03
5-Aminovaleric acid	ME1008739	1.09	0.84	1.05	1.04
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid	ME1009936	1.11	0.83	1.03	1.06
2-(2-Hydroxy-4-methylphenyl)-3-pentanone	ME1009108	1.10	0.84	1.03	1.05
Asparenyol	ME1009500	1.11	0.84	1.03	1.04
Walleminone	ME1009378	1.09	0.85	1.00	1.06
9-OxoOTrE	ME1009468	1.09	0.87	1.01	1.04
Thr-Leu	ME1009282	1.11	0.87	1.00	1.04
PC(20:2(11Z,14Z)/16:0)	ME1010267	1.11	0.88	0.97	1.08
4-Aminobenzoic acid	ME1008878	1.09	0.88	1.00	1.07
4-oxo-2-Nonenal	ME1008949	1.10	0.86	0.99	1.09
(R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009752	1.13	0.80	1.00	1.14
2-Hydroxycinnamic acid	ME1008992	1.18	0.78	0.99	1.12
LysoPC(14:1(9Z)/0:0)	ME1010099	1.17	0.80	0.99	1.10
Cytosine deoxyribonucleoside	ME1009258	1.17	0.81	1.00	1.03
Isoleucyl-Aspartate	ME1009344	1.18	0.82	1.00	1.00
3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid	ME1009937	1.16	0.80	1.02	1.06
Leu-Glu	ME1009411	1.18	0.80	0.99	1.06
Prostaglandin lactone-diol	ME1009444	1.20	0.79	0.99	1.05
Linamarin	ME1009350	1.13	0.85	0.96	1.13
Salicylaldehyde	ME1008816	1.13	0.87	0.97	1.05
N-Fructosyl phenylalanine	ME1009711	1.17	0.84	0.97	1.05
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid	ME1009798	1.16	0.86	0.96	1.05
N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine	ME1009162	1.17	0.84	0.94	1.08
Enterolactone	ME1009584	1.14	0.83	0.99	1.07
Beta-Tyrosine	ME1009058	1.16	0.83	0.97	1.09
Diisopropyl sulfide	ME1008801	1.15	0.83	0.97	1.08
Dethiobiotin	ME1009137	1.16	0.92	0.92	1.00
Phenylalanylproline	ME1009421	1.18	0.90	0.91	1.01
Pregnenolone acetate	ME1009813	1.20	0.89	0.91	0.99
Cinnamic acid	ME1008844	1.11	0.91	0.98	0.99
Dodecanedioic acid	ME1009191	1.12	0.90	0.97	1.02
Dichloromethane	ME1008721	1.11	0.92	0.96	1.03
shandong university	ME1008904	1.11	0.92	0.97	1.01
2,5-Dihydro-2,4,5-trimethyloxazole	ME1008781	1.15	0.92	0.91	1.05
Prenyl isobutyrate	ME1008959	1.13	0.90	0.94	1.05
Suberylglycine	ME1009276	1.14	0.91	0.94	1.03
Enoxolone	ME1010112	1.15	0.95	0.94	0.94
Gentianine	ME1009030	1.14	0.90	0.98	0.97
Hept-3-enoylcarnitine	ME1009458	1.14	0.91	0.97	0.95
7-Hydroxy-2^,4^,5^-trimethoxyisoflavan	ME1009667	1.11	0.95	0.96	0.95
ferulic acid	ME1009035	1.11	0.93	0.98	0.96
2-octyltridecanedioic acid	ME1009754	1.10	0.88	1.01	1.00
2-Phenylethanol	ME1008761	1.11	0.88	1.01	0.99
N-(4-Aminobenzoyl)-L-glutamic acid	ME1009432	1.11	0.88	1.04	0.94
Trachelanthamine oxide	ME1009595	1.12	0.88	1.01	0.96
N-Acetylthreonine	ME1008980	1.16	0.86	0.99	0.98
p-Acetaminobenzaldehyde	ME1008987	1.15	0.84	1.03	0.95
Imidocarb	ME1009784	1.03	1.02	0.95	1.00
Valylproline	ME1009204	1.01	1.01	0.98	1.00
(Z)-4-Hexenal	ME1008735	1.02	1.02	0.97	1.01
Tromethamine	ME1008812	1.02	1.02	0.94	1.03
p-tert-Octylphenol decaglycol ether	ME1010211	1.00	1.03	0.96	1.02
p-tert-Octylphenol heptaglycol ether	ME1010161	0.99	1.02	0.96	1.04
PC(20:2(11Z,14Z)/14:0)	ME1010229	1.01	0.97	1.01	1.02
Communesin-B	ME1010156	1.02	0.98	0.99	1.02
N-Methylthreonine	ME1008863	1.02	0.97	1.00	1.02
(±)-2,2^-Iminobispropanoic acid	ME1008981	1.00	0.99	1.00	1.02
p-tert-Octylphenol hexaglycol ether	ME1010111	0.99	0.99	1.00	1.04
PC(18:0/18:3)	ME1010257	1.05	0.97	1.00	0.99
Arachidonoylthio-PC	ME1010253	1.04	0.98	0.97	1.03
Pempidine	ME1008955	1.06	0.97	0.97	1.01
3-Propyl-1H-pyrazole	ME1008770	0.95	1.05	1.01	0.99
Hemimellitene	ME1008810	0.96	1.04	1.00	1.00
Ser Arg Ser	ME1009785	0.96	1.03	1.01	1.00
1-Methylcyclohexanol	ME1008795	0.96	1.01	1.03	1.00
4-Methyl-4-penten-2-one	ME1008729	0.98	1.01	1.00	1.01
Cuminyl alcohol	ME1008858	0.98	1.05	1.01	0.93
1-Ethylpiperidine	ME1008784	0.98	1.05	0.98	0.98
p-tert-Octylphenol nonaglycol ether	ME1010205	0.99	1.06	0.97	0.97
PC(22:2(13Z,16Z)/14:0)	ME1010264	0.96	1.01	1.05	0.95
Porphobilinogen	ME1009253	0.97	1.01	1.05	0.95
(2E,6E)-2,6-Nonadienal	ME1008886	1.01	0.98	1.04	0.94
p-tert-Octylphenol undecaglycol ether	ME1010216	1.03	0.99	1.00	0.97
alpha-Ionene	ME1009029	1.01	0.99	1.01	0.99
Methyl ferulate	ME1009174	1.00	1.01	1.01	0.97
9-methoxycarbonyldec-9-enoic acid	ME1009263	1.09	0.95	0.91	1.11
Butyrophenone	ME1008924	1.07	0.92	0.97	1.09
Norleucine	ME1008852	1.08	0.91	0.95	1.10
(S)-p-Mentha-1,8-dien-10-yl acetate	ME1009126	1.07	0.96	0.94	1.06
Clovanediol Diacetate	ME1009774	1.09	0.94	0.95	1.03
Diferuloyl putrescine	ME1010046	1.07	0.95	0.96	1.04
3-propyl acrolein	ME1008732	1.02	1.01	0.93	1.08
(1R,4R)-Dihydrocarvone	ME1008940	1.06	0.99	0.91	1.10
Pyridoxamine dihydrochloride	ME1009012	1.05	0.99	0.94	1.05
4-acetamidobutanoate	ME1008740	1.04	0.98	0.94	1.08
Deoxycholic acid	ME1009859	1.06	0.98	0.92	1.07
2-Hexenoylcarnitine	ME1009397	1.03	1.04	0.96	0.94
3-(Octyloxy)propan-1-amine	ME1009086	1.05	1.02	0.96	0.94
Cyclohexanone oxime	ME1008782	1.06	1.01	0.95	0.96
Isoleucyl-Threonine	ME1009281	1.09	1.03	0.90	0.98
1,2-Diethyl-3-hydroxypyridin-4-one	ME1009008	1.07	1.01	0.91	1.01
Homocysteine thiolactone	ME1008926	1.07	0.99	0.92	1.03
Indane	ME1008799	1.06	0.98	0.94	1.02
1-L-Leucyl-L-Proline	ME1009265	1.12	0.99	0.90	0.99
(4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009853	1.11	0.96	0.93	0.99
(7R,8R,E)-6-((R,4E,6E)-2,5-dimethylocta-4,6-dien-1-ylidene)-8-methyloctahydroindolizine-7,8-diol	ME1009613	1.10	0.98	0.92	1.00
(R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009850	0.91	0.95	1.07	1.13
Divinylbenzene	ME1008845	0.96	0.90	1.10	1.09
1,2-Dihydro-1,1,6-trimethylnaphthalene	ME1009021	0.94	0.92	1.09	1.09
3.beta.-Hydroxy-5-cholenoic acid	ME1009809	0.94	0.91	1.11	1.09
(3R)-3-((3R,5R,6S,8S,9S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid	ME1009762	0.90	0.92	1.13	1.09
5beta-Chola-3,8(14),11-trien-24-oic Acid	ME1009799	0.91	0.94	1.09	1.11
1,2-Dihydronaphthalene	ME1008846	0.92	0.92	1.11	1.10
1R_2R_5R_hydroxy_3_pinanone	ME1008857	0.91	0.94	1.11	1.09
DEET (Diethyltoluamide)	ME1009104	0.90	1.00	1.05	1.09
N-Methylproline	ME1008840	0.90	1.02	1.04	1.07
Lys Tyr Val Lys	ME1010179	0.93	1.01	1.04	1.05
Isovalerylglutamic acid	ME1009277	0.93	1.00	1.04	1.06
Pyridoxal	ME1008927	0.94	1.00	1.04	1.06
19(R)-HETE	ME1009684	0.93	1.03	1.02	1.05
(E)-undec-2-enedioic acid	ME1009200	0.92	1.04	1.01	1.06
1-Amino-2-ethoxybenzene	ME1008807	0.90	1.03	1.01	1.12
Didrovaltratum	ME1009998	0.92	0.99	1.03	1.12
L-Glutamic acid	ME1008921	1.01	0.87	1.05	1.13
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one	ME1009302	1.02	0.90	1.02	1.11
Arg Ser Tyr	ME1009996	1.02	0.89	1.03	1.11
PyroglutamylIsoleucine (isomer of 1005)	ME1009323	1.01	0.92	1.03	1.08
2-Keto-6-acetamidocaproate	ME1009081	1.02	0.93	1.03	1.06
4-hydroxysphinganine	ME1009675	1.02	0.92	1.03	1.05
Chenodeoxycholic Acid	ME1009857	1.05	0.90	1.00	1.10
Lysylisoleucine	ME1009407	1.03	0.93	0.99	1.10
Thr Leu	ME1009280	1.03	0.93	1.01	1.08
3-Methylbenzyl alcolhol	ME1008762	0.97	0.96	1.05	1.03
gamma- 9,10-DiHODE	ME1009649	0.96	0.96	1.06	1.05
Coniine	ME1008834	0.98	0.94	1.05	1.05
PC(18:1(9Z)/18:1(9Z))	ME1010261	0.98	0.94	1.06	1.06
2-Pyrrolidinone, 1-methyl-	ME1008741	0.99	0.97	1.02	1.05
Isodeoxycholic acid	ME1009856	0.98	0.96	1.03	1.06
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-	ME1009948	0.98	0.96	1.04	1.06
Pentedrone	ME1009102	0.98	0.96	1.04	1.04
Sumaresinolic acid	ME1009267	0.98	0.95	1.04	1.05
Mono-ethylhexylphthalate	ME1009489	1.00	0.97	1.00	1.08
p-tert-Octylphenol tetraglycol ether	ME1009873	1.00	0.97	0.98	1.09
M 344	ME1009617	0.97	1.00	1.01	1.06
PC(18:0/18:2)	ME1010265	0.96	0.99	1.01	1.09
(3R)-3-((3R,5S,7R,8R,9S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid	ME1009763	0.92	0.94	1.04	1.19
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite	ME1009062	0.90	0.99	1.03	1.16
amyl amine-C17:1	ME1009750	0.89	0.99	1.02	1.20
PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	ME1010277	0.94	1.04	0.95	1.15
p-tert-Octylphenol pentaglycol ether	ME1010011	1.00	1.00	0.94	1.12
Ser Tyr Arg	ME1009997	1.01	0.99	0.92	1.16
Asn His Ile	ME1009872	0.96	0.95	1.01	1.15
2-Acetylpyrrolidine	ME1008780	0.97	0.96	1.00	1.13
Aspergillusenes A	ME1009296	0.99	0.95	0.99	1.14
D-Homoserine	ME1008803	1.03	0.90	0.98	1.19
Glycyl-L-valine	ME1009027	1.01	0.94	0.95	1.18
fuzhuanin A	ME1009682	1.31	0.57	1.25	0.74
9(S)-HOTrE	ME1009481	1.22	0.64	1.20	0.87
Alpha-Linolenoyl ethanolamide	ME1009687	1.29	0.60	1.16	0.89
Linoleoyl Ethanolamide	ME1009693	1.33	0.50	1.21	0.91
Oleyl sarcosine	ME1009795	1.34	0.55	1.17	0.85
(11E,13Z)-10-hydroxyoctadeca-11,13-dienoic acid	ME1009571	1.32	0.54	1.21	0.87
Leu Ala	ME1009156	1.34	0.53	1.21	0.84
Octadecadienoate	ME1009508	1.24	0.57	1.26	0.86
TG 8:0_9:0_15:0	ME1010207	1.24	0.47	1.26	0.89
Phenylpropionylglycine	ME1009246	1.28	0.64	1.09	0.98
1-Isothiocyanato-9-(methylsulfinyl)-nonane	ME1009351	1.31	0.57	1.13	0.97
Esculentic acid (Diplazium)	ME1010113	1.31	0.57	1.12	0.99
8,12-octadecadienoic acid	ME1009505	1.25	0.50	1.22	1.06
1H-Imidazole-4-carboxamide	ME1008772	1.23	0.55	1.20	1.04
Oleanane -4H, + 2O	ME1010049	1.26	0.53	1.21	1.01
5-Acetamidovalerate	ME1008968	1.31	0.51	1.15	1.07
Histidinol	ME1008895	1.25	0.59	1.12	1.06
Hydroxy Tyrosol -Acetate	ME1009250	1.25	0.58	1.14	1.07
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	ME1010115	1.31	0.44	1.24	1.00
(12E)-9-hydroxyoctadec-12-enoic acid	ME1009587	1.33	0.42	1.21	1.08
NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)-	ME1009244	1.38	0.37	1.22	1.07
Ethyl phenylacetate	ME1008993	1.29	0.42	1.21	1.16
2-Deoxyguanosine	ME1009441	1.22	0.50	1.21	1.14
(S)-MALATE	ME1008933	1.19	0.50	1.23	1.15
5.6-dimethoxy-3-methyl-2- hydroxypropylpyridin-4-ol	ME1009259	1.21	0.71	1.12	0.92
(R)-2-Nitro-p-mentha-1,5-diene	ME1009063	1.20	0.71	1.12	0.92
Rivastigmine tartrate (Exelon)	ME1009367	1.20	0.73	1.12	0.90
(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate	ME1009127	1.21	0.74	1.10	0.89
p-Aminobenzoic acid	ME1008876	1.21	0.75	1.10	0.89
6-Hydroxynon-4-enoylcarnitine	ME1009664	1.19	0.77	1.06	0.95
3-Hydroxy-4-methoxycinnamic acid	ME1009037	1.24	0.77	1.05	0.88
PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	ME1010278	1.21	0.80	1.05	0.89
PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	ME1010242	1.26	0.72	1.10	0.85
(5Z,7E)-9,10-Seco-5,7,10(19)-cholestatriene	ME1009831	1.30	0.68	1.08	0.87
Farnesyl acetone	ME1009422	1.28	0.67	1.09	0.91
1-Palmitoyl-2-oleoyl-sn-glycerol	ME1009753	1.33	0.71	1.03	0.86
PC(18:1(9Z)/20:3(8Z,11Z,14Z))	ME1010287	1.31	0.76	1.02	0.80
Imazapyr	ME1009418	1.22	0.71	1.05	1.04
1-Methyl-4-isobutylbenzene	ME1008925	1.23	0.71	1.04	1.02
2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline	ME1009194	1.24	0.71	1.04	1.02
Dehydroabietamide	ME1009686	1.20	0.73	1.05	1.04
L-allo-Threonine	ME1008802	1.20	0.75	1.02	1.04
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	ME1009271	1.21	0.78	1.01	1.01
Pesticide3_Pirimicarb_C11H18N4O2_2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate	ME1009409	1.21	0.77	1.01	1.02
Monolinolenin (9c,12c,15c)	ME1009794	1.24	0.74	1.01	1.03
(Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid	ME1009704	1.25	0.75	0.99	1.01
N-(2-hydroxyethyl)nicotinamide	ME1009003	1.26	0.73	0.93	1.05
3-Oxohexadecanoic acid	ME1009453	1.26	0.74	0.96	1.08
Peiminine	ME1010072	1.26	0.75	0.96	1.05
gamma-Glutamyl-beta-aminopropiononitrile	ME1009144	1.25	0.73	0.99	1.08
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid	ME1009623	1.22	0.76	0.98	1.09
(7,8-dimethoxy-2,2,3-trimethyl-2,3-dihydro-1H-benzo[d]azepin-4-yl)(3,4-dimethoxyphenyl)methanone	ME1009961	1.22	0.74	1.00	1.08
Epoxydocosapentaenoic acid	ME1009775	1.20	0.79	0.96	1.09
Ubiquinone (Q2)	ME1009679	1.23	0.78	0.96	1.06
Sebacic acid monomethyl ester	ME1009140	1.12	0.78	1.03	1.05
1-Methyladenosine	ME1009511	1.11	0.76	1.09	1.08
Chamuvaritin	ME1010075	1.12	0.76	1.08	1.08
4,6-Dihydroxyquinoline	ME1008978	1.10	0.79	1.08	1.06
dodec-4-enedioic acid	ME1009262	1.12	0.78	1.07	1.07
(-)-Jasmonic acid	ME1009184	1.12	0.78	1.07	1.06
4-(2-Aminophenyl)-2,4-dioxobutanoic acid	ME1009172	1.13	0.79	1.05	1.07
4-Pyridoxate	ME1009067	1.12	0.78	1.05	1.08
Lotaustralin	ME1009419	1.10	0.77	1.12	1.03
6-ethoxypyridine-3-carboxylic acid	ME1009007	1.13	0.74	1.12	1.02
Cropropamide	ME1009316	1.13	0.75	1.10	1.02
dodeca-4,7,10-trienoic acid	ME1009123	1.13	0.76	1.11	1.02
Indole-3-carboxyaldehyde	ME1008909	1.16	0.75	1.08	1.02
(Z)-6-Tetradecene-1,3-diyne-5,8-diol	ME1009228	1.15	0.76	1.08	1.02
Exaprolol	ME1009541	1.16	0.78	1.04	1.04
N-(1-Deoxy-1-fructosyl)phenylalanine	ME1009710	1.17	0.76	1.05	1.04
Norambreinolide	ME1009462	1.16	0.76	1.07	1.04
Asparaginylhydroxyproline	ME1009337	1.15	0.79	1.06	1.01
2-isopentyl-3,6-dimethyl pyrazine	ME1009049	1.18	0.77	1.05	0.99
N-Acetylisoleucine	ME1009024	1.18	0.76	1.05	1.01
NVE_247.1330_17.3	ME1009346	1.05	0.81	1.11	1.08
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid	ME1009208	1.04	0.84	1.09	1.07
Glycerol 1-hexadecanoate	ME1009729	1.03	0.83	1.10	1.09
(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid	ME1009766	1.09	0.78	1.11	1.06
Suberic acid	ME1008958	1.08	0.76	1.12	1.08
Methioninesulfoxide	ME1008997	1.06	0.75	1.16	1.06
5-Acetyl-2,4-dimethyloxazole	ME1008889	1.06	0.80	1.13	1.03
5-Phosphoribosylamine	ME1009268	1.06	0.78	1.14	1.04
5-Hydroxyindole-2-carboxylic acid	ME1009045	1.22	0.70	1.01	1.13
13(S)-HOTrE	ME1009478	1.22	0.67	1.04	1.14
Azelaic acid	ME1009015	1.22	0.69	1.04	1.11
8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.02,?]undec-2-en-9-one	ME1009366	1.16	0.72	1.06	1.11
(R)-ar-Turmerone	ME1009213	1.16	0.70	1.09	1.11
8-HETE	ME1009602	1.20	0.73	1.03	1.09
NCGC00380930-01_C15H26O4_1H-Indene-4-carboxylic acid, octahydro-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-	ME1009379	1.19	0.71	1.07	1.07
Curcumanolide A	ME1009298	1.18	0.71	1.06	1.08
tetradeca-4,7,10-trienoic acid	ME1009240	1.19	0.71	1.06	1.09
4-Hydroxybenzaldehyde	ME1008815	1.15	0.67	1.12	1.13
Glucuronic_acid,_8CI,_9CI_6-Aminohexyl_glycoside	ME1009552	1.18	0.67	1.09	1.12
Koninginin A	ME1009523	1.18	0.65	1.12	1.11
NCGC00347586-02_C30H46O6_3,19-Dihydroxyurs-12-ene-23,28-dioic acid	ME1010153	1.09	0.71	1.13	1.13
2-Methylthio-N6-(delta2-isopentenyl)adenosine	ME1009869	1.13	0.68	1.14	1.09
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	ME1009143	1.14	0.72	1.11	1.06
alpha-Campholonic acid	ME1009072	1.13	0.73	1.11	1.08
4-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyric acid	ME1009287	1.12	0.71	1.17	1.00
Kainic Acid	ME1009193	1.18	0.69	1.14	0.98
N-Ethyl-2-methyl-2-propen-1-amine	ME1008745	1.17	0.71	1.14	0.95
Norpandamarilactonine A	ME1009009	1.16	0.70	1.16	0.96
9,12-Octadecadiynoic Acid	ME1009475	1.16	0.66	1.17	1.03
Neotigogenin Acetate	ME1010088	1.17	0.65	1.16	1.02
Ethyl 4-phenylbutanoate	ME1009109	1.16	0.63	1.16	1.09
1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid	ME1009083	1.20	0.61	1.16	1.05
9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]	ME1009718	1.19	0.61	1.17	1.06
Pro Pro	ME1009190	1.22	0.69	1.08	1.00
Anisomycin	ME1009430	1.19	0.73	1.09	0.99
9-Oxoode	ME1009558	1.19	0.71	1.09	1.02
Carnosine	ME1009249	1.17	0.72	1.10	1.02
Quinamide Isopropylidene	ME1009275	1.16	0.73	1.11	1.01
Tetranor 12-HETE	ME1009439	1.22	0.65	1.08	1.09
(4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid	ME1009358	1.20	0.67	1.10	1.06
5-Hydroxyindole-3-acetic acid	ME1009098	1.19	0.67	1.12	1.06
Urocanic acid	ME1008879	1.18	0.68	1.11	1.06
12(13)Ep-9-KODE	ME1009631	1.21	0.68	1.08	1.05
4-Pyridoxic acid	ME1009068	1.20	0.68	1.10	1.03
Glyceryl 5-hydroxydecanoate	ME1009499	1.21	0.67	1.11	1.03
Tyr-C4:0	ME1009373	1.23	0.65	1.12	1.00
(R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009949	1.21	0.64	1.12	1.05
D-Tyrosine	ME1009061	1.22	0.65	1.11	1.03
NCGC00380833-01_C20H28O5_Gibbane-1,10-dicarboxylic acid, 2-hydroxy-1,4a-dimethyl-8-methylene-, (1alpha,2beta,4aalpha,4bbeta,10beta)-	ME1009786	1.22	0.65	1.12	1.03
N-Palmitoyl Leucine	ME1009836	1.19	0.67	1.29	0.80
N-Palmitoyl Valine	ME1009807	1.16	0.56	1.36	0.83
2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-	ME1009640	1.12	0.60	1.29	0.86
LPE 18:2	ME1010117	1.12	0.59	1.34	0.89
8-Heptadecenal	ME1009381	1.11	0.63	1.25	0.90
(±)8,9-DHET	ME1009683	1.16	0.64	1.26	0.88
Irisone	ME1009110	1.16	0.60	1.28	0.91
L-Thyronine	ME1009463	1.13	0.65	1.21	1.01
Phenethylamine glucuronide	ME1009575	1.10	0.66	1.23	1.02
Glucosaminic acid	ME1009130	1.13	0.61	1.27	0.98
Isoferulic acid	ME1009121	1.13	0.64	1.25	0.97
trans-Ferulic Acid	ME1009036	1.12	0.65	1.25	0.97
beta-Methylstyrene	ME1008800	1.17	0.60	1.23	0.99
3-Oxobutanoylcarnitine	ME1009339	1.14	0.60	1.25	1.02
Tetrahydrodipicolinate	ME1009017	1.14	0.61	1.25	1.01
3alpha,12alpha-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid	ME1009894	1.10	0.51	1.37	1.04
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009842	1.12	0.52	1.35	1.03
6-aminochromen-2-one	ME1008979	1.14	0.54	1.29	1.07
(11Z)-8,18-propano-retinal	ME1009697	1.19	0.49	1.31	1.03
Glochidone putative	ME1009993	1.20	0.54	1.25	1.02
8-Hydroxyadenine	ME1008934	1.15	0.55	1.29	1.01
5-keto stearic acid	ME1009589	1.16	0.55	1.30	0.97
NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione	ME1010164	1.18	0.53	1.29	0.99
Sinapic acid	ME1009243	0.99	0.70	1.25	1.11
(3R,5S,7R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol	ME1010055	1.05	0.67	1.23	1.11
4-Quinolinecarboxylic Acid	ME1009022	1.02	0.67	1.25	1.11
NCGC00385923-01_C15H22O4_2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(3-hydroxy-2-methoxypropyl)-2-methyl-3(2H)-furanone	ME1009356	1.04	0.65	1.26	1.11
1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one	ME1009689	1.09	0.70	1.17	1.08
Idrapril	ME1009401	1.07	0.71	1.18	1.09
2-Phenylethyl hexanoate	ME1009229	1.05	0.71	1.18	1.11
Quinoline N-oxide	ME1008912	1.05	0.70	1.20	1.09
3,3^,5,5^-Tetramethylbenzidine	ME1009315	1.08	0.67	1.22	1.06
butamben	ME1009116	1.09	0.67	1.19	1.10
Sebacic acid	ME1009155	1.12	0.66	1.19	1.07
Methyldopate	ME1009313	1.07	0.70	1.24	0.99
NCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydroxy-3-oxo-, (5xi,9xi,18xi)-	ME1010080	1.07	0.69	1.23	1.02
2,3-dinor-PGE1	ME1009703	1.02	0.71	1.26	1.02
Indole-3-ethanol	ME1008901	1.04	0.72	1.26	0.97
Tryptophol	ME1008983	1.04	0.72	1.25	0.98
Geranylacetone	ME1009044	1.04	0.61	1.33	1.05
15-HETE	ME1009601	1.02	0.66	1.31	1.02
4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	ME1010056	0.98	0.70	1.32	1.02
Imidazoleacetic acid	ME1008827	1.10	0.64	1.17	1.19
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one	ME1009636	1.12	0.67	1.13	1.17
Hirsutin	ME1009286	1.14	0.65	1.11	1.21
ε-Caprolactone	ME1008789	1.07	0.57	1.24	1.24
NCGC00380735-01_C15H22O4_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9,9a-dihydroxy-3,4a,5-trimethyl-, (4aR,5S)-	ME1009436	1.08	0.57	1.28	1.14
3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid	ME1009311	1.08	0.58	1.21	1.12
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate	ME1009637	1.11	0.59	1.22	1.15
Panaquinquecol 1	ME1009547	1.34	0.71	0.99	0.93
Conjugated Linoleic Acid (10E,12Z)	ME1009336	1.30	0.77	0.97	0.92
Methyl citronellate	ME1009073	1.32	0.75	0.97	0.93
13-HOTrE	ME1009546	1.31	0.83	0.91	0.90
Sugeonol	ME1009295	1.32	0.80	0.96	0.84
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid	ME1009782	1.20	0.91	0.93	0.93
3,5-dimethoxyphenyl 4-(phenylcarbonyl)piperazinyl ketone	ME1009861	1.23	0.88	0.94	0.90
Glycerylmonooleate	ME1009843	1.20	0.88	0.97	0.89
PC(16:0/18:1)	ME1010236	1.22	0.85	0.94	0.98
1-Hydroxyisoquinoline	ME1008910	1.23	0.85	0.94	0.95
N-Acetyl-L-histidine	ME1009138	1.25	0.86	0.92	0.95
Methyltyrosinate	ME1009131	1.23	0.89	0.89	0.98
Gly Ile	ME1009088	1.26	0.85	0.89	1.00
Leucylphenylalanine	ME1009491	1.28	0.86	0.88	0.97
4,8-Dimethyl-3,7-nonadien-2-one, cis-	ME1009006	1.30	0.80	0.92	0.94
L-Allo-Isoleucine	ME1008856	1.32	0.78	0.92	0.97
NCGC00385795-01_C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]-	ME1009470	1.32	0.79	0.89	1.00
Isoleucine (Not validated)	ME1008855	1.29	0.81	0.91	0.99
NCGC00169889-02_C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid	ME1009294	1.30	0.82	0.89	0.98
2,2^-[(4-Methylphenyl)imino]diethanol	ME1009135	1.36	0.78	0.89	0.93
Indole-3-acetamide	ME1009026	1.37	0.79	0.84	0.99
Lys Pro Pro Gly	ME1009916	1.33	0.82	0.87	0.96
MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)	ME1009790	1.34	0.84	0.84	0.94
Tropic acid	ME1008923	1.29	0.78	0.91	1.04
Trans-Cinnamate	ME1008843	1.28	0.81	0.90	1.04
Phenylethanolamine	ME1008804	1.27	0.80	0.90	1.05
Dl-Phenylalanine	ME1008756	1.26	0.81	0.90	1.06
5-(3-Pyridyl)-2-hydroxytetrahydrofuran	ME1009000	1.26	0.81	0.91	1.05
Nicotinamide, N-(2-hydroxyethyl)-	ME1009005	1.26	0.80	0.91	1.05
Angelic acid	ME1008751	1.24	0.79	0.97	0.99
1-Naphthylamine	ME1008902	1.26	0.78	0.97	0.99
Dicyclohexylcarbodiimide	ME1009171	1.27	0.78	0.96	0.99
Cholic acid	ME1009803	1.25	0.78	0.96	1.02
(2S)-2-(4-Chloroanilino)propanoic acid	ME1009141	1.24	0.80	0.95	1.03
Ile Thr Pro	ME1009722	1.24	0.81	0.94	1.02
1-beta-D-Glucopyranosyl-L-tryptophan	ME1009824	1.27	0.82	0.93	0.96
3-[4-Methyl-1-(2-Methylpropanoyl)-3-Oxocyclohexyl]Butanoic Acid	ME1009365	1.27	0.80	0.95	0.95
MG(18:2(9Z,12Z)/0:0/0:0)[rac]	ME1009805	1.27	0.77	0.99	0.95
Photopyrone G	ME1009746	1.25	0.81	0.98	0.94
Ala-Ile	ME1009157	1.28	0.84	0.82	1.13
Fellutanine A	ME1009849	1.30	0.86	0.78	1.11
methionine glutamate	ME1009554	1.32	0.80	0.84	1.09
(R)-Salsolinol	ME1009053	1.36	0.76	0.85	1.05
2-Methyl-3-methoxy-4-phenylbutyric acid	ME1009177	1.36	0.78	0.82	1.06
NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid	ME1009254	1.35	0.78	0.84	1.07
Gly Leu Leu	ME1009596	1.34	0.74	0.87	1.09
Indole-3-carboxaldehyde	ME1008911	1.34	0.74	0.88	1.08
8-Desmethyleucalyptin	ME1009643	1.33	0.76	0.87	1.07
Leu Leu Val	ME1009769	1.33	0.78	0.86	1.07
Thr Leu Phe	ME1009865	1.28	0.85	0.85	1.03
1,5-Naphthalenediamine	ME1008964	1.32	0.87	0.81	1.01
18a-Glycyrrhetinic acid	ME1010081	1.33	0.84	0.81	1.04
Abrine	ME1009080	1.33	0.84	0.83	1.01
Taglutimida	ME1009474	1.33	0.83	0.83	1.03
Val	ME1008797	1.33	0.82	0.84	1.04
Nicotinoylcholine	ME1009180	1.37	0.73	0.85	1.11
Pirimicarb-desamido	ME1009010	1.40	0.69	0.87	1.07
Delgocitinib	ME1009628	1.37	0.70	0.88	1.11
Phenyl glucuronide	ME1009542	1.38	0.68	0.89	1.11
alpha-licanic acid	ME1009549	1.44	0.69	0.87	1.02
12,13-DiHOME	ME1009659	1.38	0.68	0.92	1.04
Palmitoleic acid	ME1009388	1.40	0.72	0.89	1.00
(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid	ME1009633	1.39	0.71	0.89	1.04
5-Methoxytryptophan	ME1009293	1.39	0.70	0.89	1.03
Eicosanoids_18-HEPE_	ME1009743	1.46	0.65	0.84	1.09
ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate	ME1009231	1.46	0.70	0.80	1.09
Leu Phe Leu Pro	ME1010139	1.44	0.76	0.77	1.04
Pipecolic acid ethyl ester	ME1008962	1.46	0.77	0.76	1.04
Ethyl N2-acetyl-L-argininate	ME1009332	1.37	0.77	0.78	1.07
(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid	ME1009887	1.41	0.73	0.82	1.06
Pro Lys Lys	ME1009845	1.41	0.75	0.80	1.07
Trigonelline	ME1008877	1.24	0.70	0.95	1.23
12-Ketodeoxycholic acid	ME1009965	1.23	0.71	0.98	1.17
(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid	ME1009538	1.20	0.74	0.96	1.19
Dibutyl phthalate	ME1009488	1.20	0.81	0.87	1.24
cis-12-Oxophytodienoic acid	ME1009544	1.26	0.79	0.87	1.15
12-Oxodihydrophytodienoic acid	ME1009476	1.27	0.73	0.90	1.21
Dioctyl phthalate	ME1010017	1.26	0.76	0.88	1.19
Methyl oxindole-3-acetate	ME1009166	1.32	0.72	0.95	1.02
1-Benzylpiperazine	ME1009040	1.36	0.64	0.98	1.04
Ala Asn Trp	ME1009899	1.34	0.67	0.98	1.02
Biopterin	ME1009305	1.35	0.69	0.95	1.02
Vanillin	ME1008938	1.45	0.64	0.95	0.94
Benzoic acid	ME1008814	1.42	0.67	0.95	0.92
Corchorifatty acid A	ME1009622	1.41	0.68	0.93	0.96
LPC 18:2-SN1	ME1010167	1.40	0.67	0.95	0.96
Ethosuximide M5	ME1008951	1.40	0.64	0.95	1.02
(Morpholinoimino)acetonitrile	ME1008890	1.38	0.65	0.98	0.97
N-(3-Indolylacetyl)-L-isoleucine	ME1009533	1.36	0.63	0.93	1.16
(9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acid	ME1009560	1.36	0.61	0.98	1.11
Crotonoside	ME1009516	1.37	0.64	0.95	1.10
5^-Hydroxy-3^-methoxysativan	ME1009735	1.29	0.65	0.99	1.16
1-Phenyl-1,3-dodecanedione	ME1009469	1.29	0.68	0.96	1.15
Piperidine	ME1008722	1.29	0.68	0.97	1.11
NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid	ME1009467	1.27	0.69	1.02	1.05
Salsolinol 1-carboxylate	ME1009241	1.27	0.67	1.04	1.06
7-Epijasmonic acid	ME1009185	1.25	0.67	1.03	1.10
Aspartic acid	ME1008861	1.28	0.65	1.02	1.10
1a,1b-dihomo-15-deoxy-δ-12,14-PGD2	ME1009820	1.31	0.64	1.02	1.06
L-Norleucine	ME1008854	1.33	0.63	1.02	1.04
Colnelenic acid	ME1009545	1.31	0.65	0.99	1.09
gamma-Asarone	ME1009176	1.31	0.68	0.98	1.07
4,1-Benzoxazepine	ME1008914	1.32	0.60	1.03	1.09
Rilmenidine	ME1009056	1.31	0.60	1.04	1.09
3-(2-methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-one	ME1009039	1.32	0.57	1.06	1.10
Mangiferic acid	ME1009504	1.34	0.57	1.04	1.09
Indole-3-carboxylic acid	ME1008977	1.32	0.60	1.00	1.16
Pro Val Ile	ME1009712	1.28	0.59	1.03	1.20
Durandro	ME1009968	1.36	0.89	0.74	1.02
Furanodiene	ME1009212	1.37	0.87	0.74	1.04
(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrocholecalciferol	ME1009970	1.39	0.90	0.68	1.05
N,N-dimethyl-proline-proline betaine	ME1009314	1.36	0.91	0.68	1.11
lycoperodine I	ME1009207	1.28	0.96	0.76	1.00
Calendic acid	ME1009494	1.29	0.92	0.79	0.99
Gly-Phe	ME1009238	1.28	0.92	0.80	1.00
Cyclo(Leu-Phe)	ME1009413	1.30	0.98	0.70	1.03
Glycerol 1,2-dimethacrylate	ME1009338	1.35	0.95	0.70	1.00
(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010276	1.34	0.96	0.72	0.96
(±)-2-Methylthiazolidine	ME1008758	1.35	0.91	0.80	0.87
NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-	ME1009699	1.32	0.95	0.83	0.81
3-isobutyl-6-(1-hydroxy-2-methylpropyl)-2(1H)-pyrazinone	ME1009248	1.42	0.96	0.72	0.90
p-Cymene	ME1008866	1.38	0.89	0.76	0.93
Dicoumaroyl Spermidine	ME1010039	1.37	0.86	0.79	0.96
PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	ME1010301	1.38	0.83	0.81	0.96
Prolylproline	ME1009189	1.13	1.00	0.87	1.01
Threonylvaline	ME1009219	1.15	0.98	0.88	1.00
1,7-Octadiene	ME1008771	1.18	0.96	0.86	1.01
(2R,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid	ME1010027	1.17	0.98	0.84	1.03
Glycyl-L-proline	ME1009020	1.19	0.98	0.79	1.09
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	ME1010160	1.20	0.98	0.79	1.05
PRI_273.1234_9.3	ME1009460	1.21	0.99	0.78	1.03
Maltol	ME1008823	1.09	1.04	0.83	1.08
Dihydrocapsaicin	ME1009618	1.16	1.01	0.82	1.02
Pro Pro Pro	ME1009626	1.15	1.03	0.80	1.05
Lys Lys Pro	ME1009846	1.17	1.04	0.76	1.07
N-(1-Deoxy-1-fructosyl)valine	ME1009498	1.12	1.07	0.77	1.07
15-Ketoprostaglandin F2alpha	ME1009854	1.14	1.06	0.79	1.04
a	ME1008999	1.11	1.07	0.80	1.05
PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	ME1010275	1.15	0.97	0.81	1.13
(2R)-2-Amino-6-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]hexanoic acid	ME1009619	1.16	0.92	0.84	1.15
Centperazine	ME1009139	1.17	0.91	0.85	1.15
3-Polyprenyl-4-hydroxy-5-methoxybenzoate	ME1009608	1.19	0.90	0.88	1.08
Ile Pro	ME1009264	1.18	0.93	0.86	1.07
PC(18:3/20:2)	ME1010283	1.17	0.92	0.87	1.10
(S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME1008947	1.21	0.94	0.82	1.06
Dl-Isoleucine	ME1008849	1.21	0.90	0.86	1.05
Tyr-Pro	ME1009486	1.21	0.92	0.86	1.02
Apigenin 7,4^-dimethyl ether	ME1009582	1.22	0.86	0.90	1.05
2-Pyrrolidone-5-carboxylic acid, methyl ester	ME1008900	1.24	0.87	0.85	1.09
medrysone	ME1009706	1.24	0.84	0.86	1.11
Pro Gly Val	ME1009457	1.31	0.83	0.76	1.21
Spermidine	ME1008916	1.30	0.87	0.74	1.19
Isoleucylhydroxyproline	ME1009330	1.29	0.91	0.69	1.23
Serine	ME1008764	1.27	0.92	0.72	1.18
1,5-Isoquinolinediol	ME1008975	1.17	0.99	0.73	1.22
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009900	1.22	0.85	0.77	1.32
DEET Diethyltoluamide)	ME1009103	1.15	0.89	0.82	1.28
NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate	ME1010036	1.16	0.89	0.80	1.28
Monooctyl phthalate	ME1009487	1.15	0.87	0.86	1.23
PS 21:0	ME1010206	1.14	0.91	0.85	1.20
7-Ketocholesterol	ME1009930	0.64	1.08	1.38	0.81
Glycochenodeoxycholate	ME1010031	0.66	1.17	1.28	0.78
N,N-dimethyl-Safingol	ME1009725	0.64	1.13	1.33	0.79
1alpha,25-dihydroxy-9,11-didehydro-3-deoxyvitamin D3 / 1alpha,25-dihydroxy-9,11-didehydro-3-deoxycholecalciferol	ME1009924	0.73	1.30	1.12	0.69
N-Methyldioctylamine	ME1009394	0.73	1.19	1.18	0.81
Propham	ME1009050	0.68	1.23	1.24	0.71
Threoninyl-Valine	ME1009218	0.47	1.14	1.35	1.07
4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid	ME1009288	0.50	1.08	1.39	1.04
3-Heptylpyridine	ME1009047	0.55	1.10	1.34	1.01
4-Pentylaniline	ME1008990	0.52	1.10	1.35	1.04
5-hydroxycalamenene	ME1009222	0.52	1.22	1.27	0.99
25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol	ME1009905	0.57	1.14	1.30	0.99
(4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl)methyl acetate	ME1009642	0.60	1.12	1.25	1.04
1-(1-methylethenyl)-3-(1-methylethyl)-benzene	ME1008973	0.65	0.99	1.29	1.15
o-Tyrosine	ME1009057	0.69	1.00	1.25	1.12
beta-N-Acetylglucosamine	ME1009232	0.60	1.00	1.33	1.11
NCGC00253541-03_C27H40O2_(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol	ME1009988	0.66	1.04	1.28	1.05
(3S,5S,5aR,8aR)-3,5,7-trimethyl-2,2a,3,4,5,5a,6,8a-octahydro-1H-pyrrolo[2,1,5-de]quinolizine	ME1009167	0.63	1.03	1.32	1.03
(5R,8R)-5-((E)-but-2-en-1-yl)-8-propyl-1,2,3,5,8,8a-hexahydroindolizine	ME1009225	0.64	1.05	1.30	1.02
1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene	ME1009028	0.65	1.04	1.26	1.10
NCGC00381404-01_C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl-	ME1009227	0.62	1.04	1.30	1.08
Kynurenic acid	ME1009091	0.70	1.08	1.24	0.97
Phe-C4:0	ME1009299	0.67	1.06	1.32	0.91
Cannabinol	ME1009543	0.49	1.24	1.20	1.14
Putative (3-hydroxyhexadecanoyl)lysine	ME1009929	0.58	1.29	1.10	1.09
2,4,6-Triethyl-1,3,5-trithiane	ME1009234	0.55	1.27	1.18	1.00
1-Isothiocyanato-8-(methylsulfinyl)-octane	ME1009285	0.59	1.23	1.15	1.06
Diterpene alkaloid	ME1009940	0.57	1.22	1.19	1.06
1alpha-hydroxy-22-oxovitamin D3 / 1alpha-hydroxy-22-oxocholecalciferol	ME1009976	0.69	1.11	1.12	1.16
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009895	0.71	1.14	1.09	1.13
(3S,5S)-3,5-Diaminohexanoate	ME1008917	0.65	1.16	1.20	0.97
N-Acetyl-L-leucine	ME1009023	0.66	1.22	1.15	0.94
Adenosine	ME1009440	0.66	1.21	1.12	1.03
Tryptophan Conjugated Muricholic Acid	ME1010203	0.64	1.19	1.16	1.03
m-Tolual acid	ME1008874	0.70	1.17	1.12	1.03
Decaethylene Glycol	ME1010116	0.71	1.16	1.09	1.08
Nonaethylene Glycol	ME1010030	0.72	1.18	1.08	1.04
25-hydroxy-23-oxovitamin D3 / 25-hydroxy-23-oxocholecalciferol	ME1009980	0.84	1.08	1.06	1.04
NCGC00385885-01_C15H22O4_(3aS,4S,7aR)-4-Hydroxy-5-[(2S)-5-hydroxy-2-pentanyl]-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one	ME1009532	0.85	1.10	1.03	1.03
2-Methyl-2-pentenal	ME1008734	0.82	1.11	1.08	0.98
N-Acetyl-L-phenylalanine	ME1009173	0.79	1.15	1.06	1.00
GABA-C5:0	ME1009082	0.83	1.08	1.02	1.14
N,N-Diethylbenzeneacetamide	ME1009106	0.77	1.13	1.05	1.09
(4R)-4-((3R,5R,6R,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010295	0.72	1.04	1.22	1.04
o-Cymene	ME1008865	0.73	1.01	1.21	1.09
23,24-didehydro-25-hydroxyvitamin D3 / 23,24-didehydro-25-hydroxycholecalciferol	ME1009919	0.75	1.13	1.14	0.97
N-Linoleoyl Glutamine	ME1009952	0.72	1.12	1.16	1.01
7a,12a-Dihydroxy-cholestene-3-one	ME1009986	0.76	1.07	1.13	1.07
25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / 25-hydroxy-16,17,23,24-tetradehydrocholecalciferol	ME1009909	0.78	1.04	1.17	1.02
DEET	ME1009105	0.80	1.08	1.13	0.98
22-Dehydroclerosterol	ME1009958	0.77	0.92	1.22	1.18
Salsoline	ME1009115	0.75	0.93	1.19	1.27
Val Val Ala	ME1009529	0.88	0.87	1.18	1.15
Zerumbone oxide	ME1009297	0.86	0.88	1.15	1.21
bufalin	ME1009885	0.81	1.00	1.11	1.17
2,5-Diamino-2-methylpentanoic acid	ME1008918	0.83	0.94	1.11	1.24
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009933	0.83	0.95	1.13	1.18
Ser Arg Tyr	ME1010000	0.81	0.92	1.14	1.20
Coproporphyrin I	ME1010212	0.76	1.06	1.06	1.25
3h-Sialic acid	ME1009625	0.81	0.99	1.07	1.27
(4R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010294	0.85	1.00	1.04	1.23
albaflavenone	ME1009223	0.87	0.91	1.07	1.32
N-Valylphenylalanine	ME1009428	0.93	0.92	1.00	1.28
Pyroglutamate	ME1008837	0.73	0.82	1.30	1.31
Valylisoleucine	ME1009274	0.75	0.73	1.31	1.43
L-Homoserine	ME1008754	0.77	0.88	1.17	1.35
Serotonin	ME1009038	0.81	0.81	1.27	1.22
6,8-Dihydroxypurine	ME1008937	0.89	0.79	1.18	1.26
2-Acetamidophenol	ME1008936	0.84	0.82	1.21	1.27
Phenacylamine	ME1008870	0.84	0.79	1.24	1.27
2,3-dihydroxypropyl hexadecanoate	ME1009651	0.96	0.76	1.16	1.26
3-Methylcytidine	ME1009396	0.89	0.80	1.15	1.35
Lauric isopropanolamide	ME1009399	0.98	0.87	1.18	0.95
1_proprionylpyrrolidine_2_carboxylic_acid	ME1009018	0.97	0.90	1.17	0.94
3-hexenedioic acid	ME1008907	0.98	0.91	1.16	0.91
Tributylamine	ME1009076	0.98	0.91	1.15	0.92
N-Methyldodecylamine	ME1009146	0.92	0.90	1.22	0.91
N,N-Dimethyldecylamine oxide	ME1009153	0.91	0.91	1.22	0.89
(22E,24R)-Stigmasta-4,22-diene-3,6-dione	ME1010007	0.94	0.88	1.21	0.95
Xestoaminol C	ME1009270	0.94	0.90	1.19	0.94
amyl amine-C11:0	ME1009392	0.91	0.92	1.20	0.95
amyl amine-C15:0	ME1009641	0.89	0.90	1.21	0.97
2-pentyl-6-propylpiperidin-4-ol	ME1009197	0.94	0.81	1.24	1.00
N-acetyl-D-galactosamine	ME1009326	0.98	0.77	1.27	0.98
3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid	ME1009148	0.97	0.79	1.25	0.96
Felbamate monocarboxylate	ME1009181	0.96	0.82	1.24	0.95
amyl amine-C14:0	ME1009578	0.90	0.86	1.27	0.94
Cer(d18:0/14:0)	ME1010159	0.98	0.84	1.22	0.88
heptan-2-one	ME1008794	0.96	0.84	1.25	0.91
3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid	ME1009897	1.05	0.77	1.23	0.92
DG 8:0_16:4	ME1010110	1.03	0.79	1.21	0.95
Halaminol A	ME1009260	1.06	0.79	1.16	0.98
2-(-)-Carvone	ME1008859	1.11	0.76	1.15	0.97
(2S,6R,7S,8S)-2-allyl-7-(but-3-en-1-yl)-1-azaspiro[5.5]undecan-8-ol	ME1009425	1.09	0.78	1.16	0.94
(5R,8R)-5-((E)-hepta-4,6-dien-1-yl)-8-methyloctahydroindolizine	ME1009292	1.00	0.85	1.16	0.99
4-methyl-3^-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9^-pyrrolo[1,2-a]azepin]-5-one	ME1009685	0.99	0.87	1.13	1.03
Glycocholic acid	ME1010063	0.95	0.88	1.15	1.04
Physoperuvine	ME1008896	1.03	0.78	1.19	1.01
Pyrogallol	ME1008822	1.01	0.78	1.20	1.01
1-Acetylproline	ME1008960	0.97	0.78	1.23	1.05
Methylnoradrenaline	ME1009070	0.99	0.79	1.19	1.06
3a-hydroxy-5b-cholan-24-oate	ME1009815	0.95	0.94	1.10	1.01
N-deoxyfructosylacetyllysine_isomer2	ME1009788	0.96	0.96	1.09	0.99
tigogenin	ME1010042	0.98	0.95	1.08	1.00
C16 Sphingosine	ME1009459	0.91	0.99	1.09	1.02
Lys-C4:0	ME1009211	0.93	0.97	1.08	1.03
2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid	ME1009074	0.90	0.97	1.14	0.98
Alanylproline	ME1009077	0.92	0.99	1.10	0.98
Gamma-Butyrolactone	ME1008723	0.92	0.98	1.11	0.98
(E)-10-Oxo-8-decenoic acid	ME1009071	0.98	0.97	1.10	0.90
Melevodopa	ME1009188	0.96	0.96	1.11	0.95
3-Oxo-5beta-chola-8(14),11-dien-24-oic Acid	ME1009839	0.92	1.03	1.09	0.93
2-Oxovaleric acid	ME1008787	0.92	0.98	1.14	0.91
PC(18:1(9Z)/16:0)	ME1010239	0.90	1.01	1.13	0.93
3-O-Acetyldiosgenin	ME1010084	0.87	0.85	1.23	1.09
Hecogenin Acetate	ME1010114	0.86	0.88	1.22	1.08
1-Methyl-2-n-hexylbenzene	ME1009042	0.91	0.88	1.19	1.04
5-(hydroxyimino)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadecan-14-o l	ME1009614	0.93	0.85	1.19	1.05
alpha-Methyl-m-tyrosine	ME1009133	0.89	0.87	1.23	1.03
Pygenic acid C b	ME1010134	0.90	0.88	1.23	0.99
LysoPA(19:0/0:0)	ME1010077	0.85	0.92	1.22	1.02
Erianin	ME1009677	0.82	0.95	1.21	1.04
PC 15:0	ME1010146	0.82	0.93	1.24	1.03
beta-tocotrienol	ME1009955	0.80	0.92	1.24	1.08
NAE 16:4	ME1009540	0.79	0.96	1.22	1.07
N1,N8-Diacetylspermidine	ME1009269	0.87	0.91	1.19	1.06
Tyr Asp Arg	ME1010076	0.89	0.94	1.16	1.04
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009950	0.87	0.92	1.16	1.11
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol	ME1009688	0.82	0.96	1.16	1.12
1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine	ME1010033	0.85	0.95	1.15	1.10
2-Isopropylphenyl methylcarbamate	ME1009118	0.83	0.96	1.17	1.09
Hyodeoxycholic acid	ME1009855	0.86	0.98	1.11	1.09
Fusaric acid	ME1009052	0.84	0.98	1.15	1.06
(+)-Marmasmic acid	ME1009420	0.85	1.00	1.13	1.04
Palmitoleic Acid ethyl ester	ME1009515	0.92	0.76	1.34	0.96
TG 8:0_9:0_17:1	ME1010209	0.88	0.73	1.33	0.95
24-Norursa-3,12-diene	ME1009907	0.92	0.79	1.37	0.83
5(Z),8(Z),11(Z)-Eicosatrienoic acid methyl ester	ME1009349	0.95	0.81	1.34	0.81
9-Octadecenamide, (Z)-	ME1009429	0.91	0.79	1.35	0.90
Capsiamide	ME1009448	0.96	0.79	1.29	0.92
N-(3-Hydroxypropyl)valine	ME1009034	0.93	0.82	1.32	0.86
Cetrimonium	ME1009519	0.95	0.81	1.29	0.88
MG(16:0/0:0/0:0)	ME1009728	0.94	0.80	1.31	0.89
Spisulosine	ME1009526	0.85	0.77	1.44	0.88
Thujyl 19-trachylobanoate	ME1010043	0.84	0.78	1.41	0.95
Tetradecylamine	ME1009198	0.83	0.90	1.33	0.88
Hexadecylamine	ME1009318	0.87	0.92	1.27	0.89
Tridemorph	ME1009579	0.86	0.90	1.29	0.88
6,3^,4^-Trimethoxyflavanone	ME1009656	0.87	0.81	1.37	0.91
(±)-Tembamide	ME1009456	0.85	0.82	1.37	0.91
gamma-Tocotrienol	ME1009956	0.85	0.84	1.36	0.90
NAE 20:1	ME1009796	0.86	0.85	1.34	0.91
N,N-Dimethyltetradecylamine-N-oxide	ME1009400	0.83	0.87	1.35	0.91
n-Pentadecylamine	ME1009261	0.85	0.87	1.33	0.89
Cer(d18:0/0:0)	ME1009598	0.81	0.87	1.34	0.95
Lithocholic acid	ME1009814	0.81	0.82	1.37	0.99
Palmitoylethanolamide	ME1009592	0.80	0.96	1.33	0.82
1-Hexadecylamine	ME1009317	0.79	1.00	1.30	0.81
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one	ME1010015	0.78	1.00	1.33	0.78
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolyl)propan-1-ol	ME1009374	0.74	1.00	1.40	0.73
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	ME1010029	0.72	1.00	1.38	0.81
(R)-b-amino-isobutyric acid	ME1008759	0.85	1.03	1.18	0.87
PC(20:4(5Z,8Z,11Z,14Z)/18:0)	ME1010284	0.89	0.98	1.21	0.85
Nicotinic acid	ME1008817	0.84	1.01	1.23	0.83
N,N-Dimethyldodecylamine	ME1009199	0.86	0.98	1.24	0.84
Tolpropamine	ME1009383	0.73	0.94	1.33	1.00
sphingosin C16 (Artifact)-emf	ME1009465	0.86	0.94	1.22	0.97
(1R,4S)-1-methyl-4-((E)-pent-2-en-4-yn-1-yl)octahydro-2H-quinolizine	ME1009217	0.81	0.94	1.26	0.97
Ethyl 2-pyrrolecarboxylate	ME1008888	0.81	0.94	1.29	0.93
FruLeuIle	ME1009942	0.82	0.99	1.22	0.92
Lys Phe	ME1009553	0.79	1.00	1.26	0.90
Methyl methacrylate	ME1008753	0.75	1.00	1.30	0.87
Ser Leu Leu Leu	ME1010058	0.75	0.99	1.32	0.87
MG(i-17:0/0:0/0:0)	ME1009819	0.77	0.95	1.33	0.90
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic Acid	ME1009935	0.77	0.98	1.29	0.92
Phytosphingosine (not validated, isomer of 1697)	ME1009676	0.78	0.97	1.30	0.92
Daidzein	ME1009385	0.94	0.67	1.39	1.00
Glutamylproline	ME1009329	0.84	0.73	1.42	1.02
LysoPA(i-19:0/0:0)	ME1010078	0.86	0.71	1.42	1.02
alpha-Tocotrienol	ME1010005	0.86	0.63	1.49	1.04
N-(5-Methyl-3-oxohexyl)alanine	ME1009151	0.79	0.66	1.49	1.12
Avocadyne Acetate	ME1009707	0.85	0.73	1.31	1.21
beta-Lonone	ME1009111	0.92	0.69	1.31	1.15
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid	ME1009307	0.92	0.72	1.30	1.12
undec-5-enedioic acid	ME1009201	0.90	0.72	1.31	1.14
(1R,3aS,9bS,11aR)-7-hydroxy-1-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one	ME1010085	0.89	0.76	1.30	1.11
dec-4-enedioic acid	ME1009147	0.86	0.80	1.29	1.11
Pseudoecgonine	ME1009075	0.85	0.76	1.32	1.14
Stigmast-4,22-diene-3,6-dione	ME1010004	0.86	0.76	1.34	1.09
NCGC00091907-03_C15H22O3_(2E)-3-[(1R,4S,7R,7aR)-1-Hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid	ME1009461	0.82	0.86	1.30	1.05
3alpha-Hydroxy-15-oxo-5beta-chol-8-en-24-oic Acid	ME1009896	0.82	0.83	1.32	1.07
2^-Deoxyinosine	ME1009375	0.83	0.83	1.32	1.05
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009758	0.83	0.81	1.33	1.05
4-Hexyloxyaniline	ME1009120	0.89	0.79	1.29	1.05
Anabaseine	ME1008972	0.87	0.79	1.31	1.06
3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid	ME1009934	0.85	0.84	1.31	1.00
Phenylalanylthreonine	ME1009434	0.88	0.82	1.30	1.01
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran	ME1009347	0.73	0.91	1.32	1.09
Corchorifatty acid F	ME1009717	0.77	0.86	1.32	1.11
trans-EKODE-(E)-Ib	ME1009632	0.81	0.86	1.28	1.11
gamma-Glutamylisoleucine	ME1009410	0.70	0.72	1.52	1.11
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,?.02,?.01?,1?]nonadec-18-en-13-ol	ME1010068	0.61	0.81	1.53	1.10
Glu-bMCA	ME1010182	0.58	0.76	1.57	1.17
7-Ethyl-5,6-dihydro-1,4-dimethylazulene	ME1009078	0.72	0.75	1.57	0.92
11beta-Prostaglandin F2alpha	ME1009862	0.74	0.78	1.53	0.90
PE O-15:1_3:0	ME1010120	0.76	0.78	1.52	0.90
MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	ME1009938	0.72	0.80	1.55	0.85
PE O-14:1_4:0	ME1010121	0.73	0.77	1.56	0.87
(R)-4-((1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009945	0.70	0.80	1.50	0.99
13-epi-12-oxo Phytodienoic Acid	ME1009548	0.76	0.73	1.49	1.04
PC(16:1/18:1)	ME1010227	0.79	0.71	1.47	1.04
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-	ME1009043	0.78	0.76	1.48	0.96
3beta,7alpha-Dihydroxy-12-oxo-5alpha-cholan-24-oic Acid	ME1009946	0.79	0.72	1.52	0.95
Lys-gMCA	ME1010180	0.68	0.85	1.41	1.11
N-Methylisoleucine	ME1008915	0.71	0.81	1.44	1.07
3alpha-Hydroxy-12-oxo-5beta-chola-7,9(11)-dien-24-oic Acid	ME1009886	0.73	0.85	1.41	1.02
dodecanamide	ME1009145	0.76	0.84	1.41	0.98
5alpha-Stigmastan-3,6-dione	ME1010020	0.70	0.89	1.43	0.96
Lycopene 1,2,1^,2^-diepoxide	ME1010194	0.71	0.90	1.43	0.89
Deoxycholate	ME1009808	0.84	0.56	1.33	1.54
2-Pentyl-3-phenyl-2-propenal	ME1009159	0.88	0.59	1.20	1.38
4-Methyl-3-penten-2-one, 9CI	ME1008728	1.00	0.57	1.26	1.34
Ethyl isopropyl disulfide	ME1008871	0.99	0.66	1.23	1.24
p-Benzoquinone dioxime	ME1008875	0.97	0.67	1.25	1.24
5-Hydroxytryptophol	ME1009046	1.01	0.52	1.37	1.20
cyclohexylammonium	ME1008744	0.99	0.60	1.32	1.16
2,4-dihydroxyheptadecyl acetate	ME1009650	1.09	0.51	1.47	0.87
8-HETrE	ME1009691	1.07	0.57	1.47	0.79
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid	ME1009696	1.07	0.56	1.40	0.94
(5Z)-4,4-difluoro-1alpha,25-dihydroxyvitamin D3 / (5Z)-4,4-difluoro-1alpha,25-dihydroxycholecalciferol	ME1010079	1.09	0.54	1.39	0.94
11^-Carboxy-gamma-tocotrienol	ME1009928	1.03	0.58	1.45	0.87
4,4-Dimethylcholesta-8,14,24-trienol	ME1009903	1.05	0.57	1.44	0.88
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009893	0.96	0.62	1.44	0.94
delta8,14-Sterol	ME1009957	1.01	0.57	1.46	0.94
PE O-11:0_6:0	ME1010105	1.01	0.60	1.43	0.93
Stearidonic acid	ME1009480	0.94	0.58	1.49	0.97
N-Acetyl-L-aaline	ME1008967	1.02	0.53	1.41	1.07
(2R,3R)-2-Aminooctadecane-1,3-diol	ME1009597	0.96	0.60	1.42	1.03
(7R,8R,E)-8-methyl-6-(2-methylpropylidene)octahydroindolizine-7,8-diol	ME1009252	1.00	0.56	1.43	1.02
Congressane	ME1009090	1.02	0.58	1.39	1.01
Quinuclidine	ME1008775	1.05	0.67	1.33	0.92
15(S)-HETE	ME1009600	1.01	0.65	1.37	0.94
2,2,6,6-Tetramethylpiperidine	ME1008897	0.99	0.69	1.35	0.95
TG(8:0/i-14:0/10:0)	ME1010197	1.03	0.57	1.33	0.85
2-(5,8-Tetradecadienyl)cyclobutanone	ME1009423	1.07	0.63	1.36	0.88
Putative (3-hydroxyhexadecanoyl)glycine (aka Commendamide)	ME1009724	1.06	0.65	1.36	0.85
PE O-13:1_3:0	ME1010069	1.01	0.74	1.34	0.81
2-Aminoethyl oleate	ME1009700	1.01	0.65	1.40	0.87
HexCer 11:0;3O/23:0;(2OH)	ME1010223	0.96	0.68	1.42	0.87
cis-7,10,13,16-Docosatetraenoic acid	ME1009215	1.00	0.64	1.48	0.81
PC(18:1/22:5)	ME1010303	0.99	0.68	1.43	0.80
Glycoursodeoxycholic acid	ME1010066	0.80	0.54	1.60	1.12
12alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid	ME1009888	0.72	0.61	1.62	1.12
Valylhydroxyproline	ME1009272	0.72	0.59	1.66	1.07
24-Norursa-3,12-dien-11-one	ME1009954	0.84	0.44	1.63	1.16
Madecassic Acid	ME1010137	0.91	0.42	1.67	1.00
N-(1,3-Dihydroxyoctadec-4-en-2-yl)acetamide	ME1009760	0.81	0.50	1.71	0.78
Stigmast-22-ene-3,6-dione	ME1010014	0.79	0.52	1.76	0.84
2,3-dihydroxypropyl 13-methyltetradecanoate	ME1009669	0.75	0.65	1.62	0.84
(5R)-5-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)hexanoic acid	ME1009891	0.78	0.64	1.60	0.95
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	ME1009890	0.78	0.69	1.58	0.90
Pro Asp Ile	ME1009767	0.91	0.55	1.62	0.86
Cytosine	ME1008773	0.87	0.58	1.58	0.95
delta-tocopherol	ME1010006	0.90	0.61	1.56	0.87
N-Oleoylethanolamine	ME1009701	0.86	0.67	1.54	0.87
(4E,8E,10E-d18:3)sphingosine	ME1009563	1.68	0.21	1.53	0.50
LPE 16:0	ME1010082	1.37	0.38	1.33	0.84
13^-Hydroxy-alpha-tocotrienol	ME1010047	1.40	0.34	1.38	0.76
LysoPE(0:0/15:0)	ME1010045	1.35	0.36	1.41	0.75
nona-3,5-dienoic acid	ME1008950	1.39	0.48	1.24	0.79
PC(16:0/PGF2alpha)	ME1010296	1.46	0.43	1.19	0.85
PE O-12:0_2:0	ME1010008	1.48	0.32	1.29	0.83
trans-11,cis-15-Octadecadienoic acid	ME1009506	1.49	0.40	1.25	0.72
LPE 13:0	ME1009962	1.80	0.26	1.01	0.86
13^-Hydroxy-gamma-tocotrienol	ME1010013	1.78	0.36	1.08	0.56
2-Propylisonicotinic acid	ME1009002	1.66	0.53	0.99	0.64
5-Hydroxymaltol	ME1008899	1.44	0.84	0.80	0.83
1,2-Dihydroxy-3-keto-5-methylthiopentene	ME1008984	1.41	0.82	0.87	0.81
LPC O-18:1	ME1010155	1.40	0.82	0.85	0.86
Pro Pro Lys Gly	ME1009917	1.47	0.72	0.85	0.69
LPE O-17:1	ME1010074	1.48	0.78	0.85	0.77
Flufenacet ESA	ME1009471	1.46	0.75	0.91	0.77
NCGC00347620-02_C22H34O4_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 4-(hydroxymethyl)-1-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-	ME1009776	1.50	0.74	0.89	0.73
P-Chlorophenylalanine	ME1009142	1.46	0.80	1.01	0.46
Glu Leu	ME1009412	1.46	0.79	1.01	0.62
Ac-Tyr-OEt	ME1009372	1.38	0.79	1.06	0.54
PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	ME1010279	1.36	0.82	1.03	0.58
9-acetyl-17-hydroxy-10,14-dimethyl-20-oxahexacyclo[11.9.0.0<2,10>.0<4,9>.0<14, 19>.0<19,21>]docosane	ME1009830	1.54	0.68	0.93	0.68
PC(20:3/20:4)	ME1010297	1.49	0.69	0.96	0.72
PC(16:0/18:1(11Z))	ME1010238	1.53	0.63	1.03	0.61
9(Z),11(E)-Conjugated Linoleic Acid	ME1009502	1.50	0.65	1.01	0.68
Pimibendan	ME1009391	1.49	0.65	1.03	0.66
N-Linoleoyl Leucine	ME1009904	1.43	0.63	1.10	0.67
PC(18:2(9Z,12Z)/16:0)	ME1010233	1.35	0.70	1.09	0.71
N-Acetyl-5-methoxykynuramine	ME1009300	1.58	0.86	0.80	0.52
PA(8:0/13:0)	ME1010145	1.72	0.90	0.61	0.54
Methylenecyclopropylglycine	ME1008832	1.50	0.99	0.67	0.67
PC(17:0/18:2)	ME1010240	1.30	0.97	0.90	0.67
PC(20:4(5Z,8Z,11Z,14Z)/16:0)	ME1010251	1.36	0.94	0.85	0.69
Pro Gly Leu Asp	ME1009927	1.46	0.94	0.81	0.59
PC(18:1/20:5)	ME1010271	1.43	1.05	0.72	0.60
2-(ethylamino)-4^-hydroxy-Propiophenone	ME1009117	1.38	1.04	0.79	0.60
Ile Val Ser	ME1009673	1.31	1.05	0.83	0.62
4-hydroxyestradiol	ME1009535	1.36	1.21	0.63	0.62
Dihydromuronic acid	ME1009829	1.36	1.16	0.64	0.69
Dehydrotumulosic acid	ME1010133	1.36	1.11	0.76	0.86
NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one	ME1009599	1.35	1.16	0.52	0.93
Val-val	ME1009209	1.41	1.13	0.58	0.83
5-Aminopentanoate	ME1008736	1.62	0.98	0.47	0.86
Jasmonoyl-S-Isoleucine	ME1009692	1.69	0.97	0.44	1.03
1,2,5,8,15,19,19-heptamethyl-13,18-dioxopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15 ,20>]docos-11-ene-8-carboxylic acid	ME1010109	1.54	0.73	0.66	1.13
Glu Ala Ser Ser Thr	ME1010142	1.62	0.76	0.59	1.08
(10Z,12E)-hexadeca-10,12-dienoic acid	ME1009380	1.61	0.76	0.63	1.02
8S-HODE	ME1009569	1.56	0.79	0.62	1.06
(8Z)-10-hydroxyhexadec-8-enoic acid	ME1009454	1.57	0.78	0.63	1.03
7,4^-Dimethoxy-6-C-methylflavanone	ME1009583	1.49	0.88	0.63	1.01
(.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid	ME1009705	1.51	0.85	0.64	1.02
(+/-)-Equol	ME1009320	1.50	0.92	0.60	0.95
Hypotaurine	ME1008767	1.51	0.88	0.63	0.95
Mefenacet	ME1009581	1.47	0.90	0.60	1.07
11-hydroxyhexadeca-6,12-dienoic acid	ME1009446	1.48	0.81	0.67	1.10
2-Hydroxyquinoline	ME1008913	1.44	0.86	0.65	1.09
delta-Valerolactone	ME1008752	1.46	1.04	0.45	1.09
2-Piperidone	ME1008737	1.51	1.01	0.47	1.04
Taurocholic acid	ME1010090	1.53	1.02	0.41	1.06
[4]-Gingerdiol	ME1009445	1.46	0.98	0.56	1.01
Isoleucyl-Valine	ME1009273	1.51	0.93	0.51	1.05
3-Hydroxyquinolin-2(1h)-One	ME1008976	1.43	1.00	0.61	0.93
3-Hydroxy-N,N,N-trimethyl-1-propanaminium chloride	ME1008760	1.39	1.03	0.59	0.99
6-Hydroxynicotinic acid	ME1008887	1.38	1.00	0.63	0.98
Cimetidine sulfoxide	ME1009443	1.36	1.03	0.64	0.96
2-((R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	ME1010162	1.39	1.08	0.48	1.10
Methacholine	ME1008970	1.34	1.05	0.57	1.09
Melibiose	ME1009866	1.42	0.81	0.64	1.25
PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	ME1010306	1.45	0.80	0.65	1.19
3-Oxocholic acid	ME1009944	1.36	0.71	0.78	1.30
Possible Lac-Val	ME1009096	1.38	0.76	0.73	1.23
SM 8:0;2O/22:1	ME1010213	1.36	0.74	0.79	1.23
(4R)-4-((1R,3S,5S,7R,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1009892	1.54	0.61	0.75	1.19
Lathyrol	ME1009740	1.60	0.51	0.75	1.28
12,13-DiHODE	ME1009647	1.38	0.57	0.91	1.30
2,5-Diisopropylphenol	ME1009048	1.37	0.57	0.94	1.23
3-Methyldioxyindole	ME1008989	1.46	0.57	0.77	1.40
5-Hydroxy-3,4-dihydrocarbostyryl	ME1008988	1.40	0.59	0.76	1.51
Biotin	ME1009327	1.68	0.42	0.85	1.10
D-Pinitol	ME1009206	1.69	0.43	0.83	1.11
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid	ME1009764	1.76	0.40	0.84	1.01
5^-Amino-5^-deoxyadenosine	ME1009433	1.68	0.45	0.87	0.98
17beta-hydroxy-5beta-estran-3-one	ME1009479	1.63	0.55	0.76	1.12
(9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid	ME1009570	1.67	0.51	0.76	1.12
Avocadene 2-acetate	ME1009721	1.82	0.43	0.73	1.04
12-Cytisineacetamide	ME1009352	1.78	0.51	0.73	0.97
7,2^-Dihydroxy-5,8-dimethyl-4^,5^-methylenedioxyflavan	ME1009657	1.76	0.47	0.76	1.02
Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N^-phenyl-	ME1009064	1.67	0.59	0.74	0.99
DAG 15:0	ME1009781	1.73	0.56	0.72	0.98
(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid	ME1009690	1.71	0.59	0.70	1.01
Indole-3-methyl acetate	ME1009093	1.73	0.56	0.70	1.02
Gonal	ME1009415	1.70	0.49	0.80	1.00
korseveriline	ME1010083	1.65	0.55	0.79	1.02
5-hydroxytrideca-7,9-dienoic acid	ME1009256	1.54	0.57	0.86	1.06
N-deoxyfructosylleucylisoleucine	ME1009941	1.55	0.57	0.84	1.08
Nicotinic acid ribonucleoside	ME1009395	1.54	0.61	0.85	1.01
Ibuprofen piconol	ME1009576	1.51	0.59	0.88	1.03
L-beta-homoleucine-HCl	ME1008903	1.51	0.61	0.85	1.05
3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid	ME1009557	1.51	0.61	0.90	0.95
LPC 18:0-SN1	ME1010173	1.54	0.58	0.89	0.97
indole-3-glycol aldehyde	ME1009031	1.53	0.67	0.82	0.98
4,8,12,15-Octadecatetraenoic acid	ME1009482	1.51	0.66	0.86	0.94
Dihydrojasmonic Acid	ME1009125	1.50	0.65	0.86	0.98
2-Phenyl-1,3-propanediyl monocarbamate	ME1009134	1.62	0.63	0.73	1.04
1,1-Dimethyl-4-phenylpiperazinium	ME1009097	1.62	0.58	0.76	1.06
N-(1-Adamantyl)urea	ME1009129	1.58	0.62	0.77	1.05
lapidin	ME1009741	1.57	0.68	0.72	1.05
9,10-DiHOME	ME1009660	1.54	0.72	0.71	1.06
Phloionolic acid	ME1009737	1.56	0.74	0.69	1.03
Cadabicine	ME1010034	1.55	0.68	0.76	1.00
Vinylcyclohexene	ME1008769	1.57	0.68	0.76	0.98
10-hydroperoxy-8E,12Z-octadecadienoic acid	ME1009648	1.60	0.69	0.71	1.01
NCGC00180746-02_C30H48O6_Olean-12-en-28-oic acid, 2,3,19,24-tetrahydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-	ME1010138	1.62	0.66	0.72	1.00
(12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid	ME1009567	1.49	0.75	0.80	0.91
Tyr Leu	ME1009556	1.59	0.75	0.73	0.87
Indole-3-carbinol	ME1008838	1.57	0.72	0.76	0.90
Quinoline	ME1008839	1.59	0.68	0.76	0.93
Opthalmic acid	ME1009536	1.73	0.70	0.66	0.82
Methyl [6]-paradol	ME1009551	1.68	0.65	0.76	0.84
1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline	ME1009562	1.69	0.62	0.72	0.94
13-OxoODE	ME1009559	1.66	0.66	0.73	0.92
methyl 1-methylpiperidine-3-carboxylate	ME1008961	1.76	0.44	0.88	0.84
TG(10:0/8:0/i-13:0)	ME1010195	1.66	0.44	0.84	0.77
dodeca-6,8,10-trienoic acid	ME1009124	1.60	0.55	0.89	0.93
9R,10S-EpOME	ME1009496	1.65	0.56	0.83	0.91
N-Demethyltramadol	ME1009361	1.64	0.53	0.84	0.97
cis-7-Hexadecenoic Acid	ME1009386	1.62	0.60	0.85	0.85
cis-9-Hexadecenoic acid	ME1009304	1.67	0.57	0.86	0.80
Octadeca-6,9,12,15-tetraenoic acid	ME1009477	1.65	0.58	0.89	0.77
Ethyl butylacetylaminopropionate	ME1009205	1.39	0.55	1.06	1.01
1-Carboxyethylvaline	ME1009094	1.39	0.45	1.11	1.10
3-hydroxytetradeca-5,8,11-trienoic acid	ME1009312	1.37	0.51	1.09	1.07
9,10-Dihydroxystearic acid	ME1009668	1.38	0.51	1.08	1.08
(±)-Myrtenyl acetate	ME1009128	1.39	0.52	1.05	1.08
1,2,4,5-Tetramethylbenzene	ME1008867	1.39	0.51	1.05	1.10
(+)-cucurbic acid	ME1009192	1.39	0.50	1.06	1.10
13-HODE	ME1009568	1.38	0.53	1.03	1.12
Falipamil	ME1010016	1.42	0.52	1.01	1.09
N-Lauroylglycine	ME1009398	1.42	0.60	0.95	1.08
2-Ethylhexyl 4-(dimethylamino)benzoate	ME1009483	1.46	0.61	0.90	1.05
N-(2-(1-naphthalenyl)ethyl)cyclobutanecarboxamide	ME1009382	1.46	0.62	0.90	1.05
2R-hydroxy-oleic acid	ME1009586	1.44	0.51	0.97	1.16
4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone	ME1008985	1.48	0.48	0.99	1.10
1,2,4-Tris(methylene)cyclohexane	ME1008811	1.52	0.51	0.95	1.03
2^-deoxyadenosine	ME1009371	1.48	0.52	0.98	1.05
Heptanoylcarnitine	ME1009464	1.49	0.53	0.97	1.03
Ethyl ecgonine	ME1009196	1.42	0.51	0.96	1.06
12,13-EpOME	ME1009495	1.43	0.55	1.00	1.03
1,2-dihydroxyheptadec-16-en-4-yl acetate	ME1009779	1.43	0.57	0.97	1.05
(2R,3S)-1-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol	ME1009484	1.52	0.40	0.99	1.19
9(E),11(E)-Conjugated Linoleic Acid	ME1009509	1.50	0.40	1.03	1.14
N-Acetylcadaverine	ME1008908	1.57	0.49	0.92	1.04
NCGC00347703-02_C30H44O5_Lup-20(29)-ene-27,28-dioic acid, 3-oxo-, (5xi,9xi,18xi)-	ME1010132	1.51	0.46	1.02	1.02
5^-Deoxyadenosine	ME1009370	1.53	0.47	0.97	1.07
Monopropionylcadaverine	ME1008966	1.55	0.44	0.98	1.05
3S,7,11-Trimethyl-6,10-dodecadienoic acid	ME1009588	1.53	0.40	1.04	1.05
(1R,3aS,9bS,11aR)-7-hydroxy-1-[(2R)-4-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one	ME1009989	1.58	0.42	1.00	0.99
Abiraterone	ME1009789	1.55	0.41	1.04	0.98
PC(18:2/0:0)	ME1010166	1.53	0.58	0.95	0.89
Malvalic acid	ME1009503	1.39	0.61	1.10	0.80
Monoelaidin	ME1009811	1.45	0.62	1.04	0.79
Fludioxonil	ME1009354	1.46	0.61	1.00	0.85
isomaltulose	ME1009821	1.44	0.66	0.98	0.85
1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholecalciferol	ME1009817	1.62	0.42	1.01	0.90
D-Glucose	ME1009154	1.46	0.50	1.13	0.82
Farnesylacetone	ME1009335	1.50	0.50	1.09	0.82
1,4-dihydroxyheptadec-16-en-2-yl acetate	ME1009639	1.51	0.52	1.02	0.89
Salsoline-1-carboxylate	ME1009306	1.52	0.44	1.07	0.95
(+)-Butaclamol	ME1009818	1.51	0.49	1.06	0.89
N-Lactoylleucine	ME1009163	1.52	0.45	1.08	0.90
TOP9 Psoriasis feature - Unknown FeatureID=656	ME1009681	1.51	0.46	1.09	0.88
Pyropheophorbide a	ME1010177	0.14	0.33	2.33	0.66
methyl (4R)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	ME1009898	0.27	0.33	2.50	0.80
methyl (4R)-4-((5R,9S,10S,12S,13R,17R)-12-hydroxy-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	ME1009844	0.14	0.33	2.60	0.87
Cis-11-Eicosenoic acid	ME1009539	0.45	0.20	2.77	0.52
5-Butyl-3,4-dimethyl-2-furannonanoic acid	ME1009624	0.60	0.35	2.33	0.43
Polyoxyethylene (600) monoricinoleate	ME1009759	0.53	0.37	2.35	0.49
(2R)-2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol	ME1009911	1.16	0.96	1.34	0.07
cyclic 3-Hydroxymelatonin	ME1009355	1.30	0.66	1.48	0.13
9,11-methane-epoxy PGF1alpha	ME1009793	1.13	0.66	1.56	0.30
LPE 17:1	ME1010101	1.07	0.71	1.65	0.12
5-Hydroxy-L-tryptophan	ME1009226	1.23	0.41	1.83	0.65
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol	ME1010038	1.04	0.45	1.62	0.65
Linoelaidic acid	ME1009507	1.22	0.47	1.47	0.68
LPE 17:0	ME1010104	1.12	0.44	1.58	0.72
MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)	ME1009947	1.16	0.46	1.50	0.76
5beta-Cholestane-3alpha,7alpha,26-triol	ME1009990	1.26	0.34	1.49	0.54
Methyl 16-hydroxyhexadecanoate	ME1009528	1.34	0.34	1.46	0.40
Solasodine	ME1010035	1.13	0.49	1.80	0.22
Tyramine glucuronide	ME1009654	1.11	0.42	1.83	0.29
MG(0:0/16:0/0:0)	ME1009653	1.23	0.35	1.67	0.48
Phytosphingosine	ME1009755	1.27	0.47	1.65	0.44
Desmosterol	ME1009881	1.25	0.46	1.70	0.28
phenylethylamide 359	ME1009816	1.39	0.42	1.77	0.36
cis-12-Octadecenoic Acid methyl ester	ME1009573	1.30	0.55	1.95	0.13
Forskolin	ME1010032	1.46	0.15	1.81	0.16
25(27)-Dehydroporiferasterol	ME1009959	0.76	0.33	1.75	1.32
Docosatetraenoyl Ethanolamide	ME1009860	0.60	0.57	2.01	0.49
Dihydroceramide C2	ME1009772	0.77	0.63	1.99	0.47
PC(16:1(9Z)/18:1(9Z))	ME1010232	0.72	0.57	2.04	0.34
Adenine	ME1008868	0.74	0.53	2.13	0.62
Nicotinamide N-oxide	ME1008880	0.70	0.56	1.94	0.60
N,N-Dimethyloctadecylamine	ME1009580	0.73	0.50	1.87	0.57
(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol	ME1010012	0.77	0.43	1.98	0.63
Roccellaric acid	ME1009708	0.69	0.44	2.00	0.73
Heptadecanoyl Ethanolamide	ME1009655	0.67	0.83	1.75	0.50
PC(18:2/18:2)	ME1010248	0.65	0.81	1.77	0.53
1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)-	ME1009334	0.70	0.67	1.81	0.80
PC(16:0/20:3(5Z,8Z,11Z))	ME1010255	0.70	0.66	1.79	0.68
(2R,2aR,2^R,4R,5R,5^R,6aR,8aS,8bR,9S,11aS,12bS)-5^,6a,8a,9-tetramethyldocosahydrospiro[naphtho[2^,1^:4,5]indeno[2,1-b]furan-10,2^-pyran]-2,2a,4,5-tetraol	ME1010097	0.62	0.76	1.75	0.74
Dihydroxystearic acid	ME1009670	0.70	0.76	1.64	0.73
Isozeaxanthin	ME1010193	0.85	0.71	1.55	0.49
PC(18:2/20:2)	ME1010289	0.83	0.82	1.68	0.35
Tridodecylamine	ME1010170	0.93	0.70	1.70	0.34
amyl amine-C18:2	ME1009787	0.96	0.46	1.83	0.50
NAE 20:4	ME1009783	0.89	0.42	1.89	0.62
amyl amine-C18:1	ME1009791	0.93	0.60	1.64	0.56
Fistulosin	ME1009883	0.95	0.54	1.70	0.53
Methylhexahydrophthalic anhydride	ME1009011	0.81	0.71	1.66	0.65
4a-Methylzymosterol-4-carboxylic acid	ME1010054	0.86	0.56	1.63	0.74
2-Isopropyl-6-methyl-4-pyrimidone	ME1008939	0.87	0.60	1.71	0.65
PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	ME1010243	0.87	0.57	1.74	0.64
Benzalkonium chloride (C12)	ME1009605	0.13	0.73	2.26	0.76
2,4,12-Octadecatrienoic acid isobutylamide	ME1009739	0.36	0.58	2.11	0.57
Benzyltetradecyldimethylammonium	ME1009734	0.45	0.53	2.18	0.69
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	ME1009889	0.54	0.51	2.07	0.76
Benzalkonium	ME1009606	0.36	0.63	2.12	0.78
Glycerol 1-myristate	ME1009603	0.49	0.75	2.12	0.70
DG 16:0	ME1009825	0.77	0.35	1.92	0.92
(2R,5S)-2-(6-Aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol	ME1009574	0.37	0.44	2.17	1.03
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010246	0.54	0.40	2.03	1.06
LysoPA(O-18:0/0:0)	ME1010002	0.46	0.70	1.92	0.84
13-Docosenamide	ME1009748	0.53	0.52	1.97	0.94
(R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	ME1010310	0.51	0.49	1.83	0.84
PC(P-16:0/20:4(6E,8Z,11Z,14Z)+=O(5))	ME1010244	0.58	0.51	1.84	1.12
Costunolide	ME1009283	0.41	0.58	1.95	1.12
ethyl 4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracy clo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate	ME1010053	0.34	0.69	1.94	1.06
24-Norursa-3,9(11),12-triene	ME1009902	0.35	1.28	1.66	0.60
Anandamide (20:l, n-9)	ME1009797	0.58	1.01	1.57	0.68
MG 18:2	ME1009847	0.63	1.03	1.51	0.66
N-Acetylneuraminate	ME1009731	0.64	1.14	1.45	0.54
PC(16:1/22:5)	ME1010272	0.61	1.08	1.55	0.52
(2R)-2-Hydroxy-2-methylbutanenitrile	ME1008743	0.44	0.97	1.67	0.84
3-Methylbutylamine	ME1008724	0.44	0.98	1.71	0.73
Episarsasapogenin	ME1009920	0.55	0.99	1.55	0.81
Lys-C18:1	ME1009960	0.54	1.08	1.46	0.86
2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol	ME1009674	0.13	1.01	1.85	1.01
Cholest-4,6-Dien-3-One	ME1009939	0.28	1.04	1.67	1.02
Euscaphic acid	ME1010158	0.35	1.03	1.66	0.93
DG(PGJ2/8:0/0:0)	ME1010190	0.47	0.96	1.56	1.01
7-Hydroxy-4-cholesten-3-one	ME1009992	0.51	0.93	1.53	1.07
Phantasmidine	ME1009237	0.51	0.92	1.53	1.07
12(13)-Epoxy-9Z-octadecenoic acid	ME1009325	0.58	0.95	1.41	1.10
Dihydroxycarteolol M1	ME1009694	0.52	0.95	1.43	1.18
(3S,4R,8S,10R,13R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol	ME1009878	0.62	0.79	1.62	0.92
Oleoyl Ethyl Amide	ME1009627	0.66	0.68	1.68	0.96
(5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine	ME1010118	0.44	0.77	1.74	1.10
(+)-Samandarine	ME1009612	0.55	0.72	1.71	1.04
Enterodiol	ME1009435	0.17	0.76	1.78	1.58
3alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid	ME1009858	0.31	1.06	1.47	1.31
N-(4-Amino-2,5-diethoxyphenyl)benzamide	ME1009593	0.36	0.96	1.46	1.46
n-decanohydroxamic acid	ME1009084	1.32	NA	NA	0.36
N-Methylschinifoline	ME1009389	2.58	0.11	0.21	0.91
Eicosanoids_8-HEPE_	ME1009742	2.60	0.18	0.19	1.06
Dihydroxycarteolol M2	ME1009695	2.51	0.17	0.27	1.11
Lidocaine-N-Oxide	ME1009368	2.52	0.19	0.26	1.06
Batelapine	ME1009566	2.42	0.18	0.10	1.58
Cadaverine	ME1008757	2.37	0.21	0.22	1.40
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one	ME1010192	1.74	0.99	0.20	1.13
Carylophyllene Oxide	ME1009266	1.77	0.56	0.17	0.83
SM(d18:1/16:0)	ME1010218	1.69	0.84	0.22	0.84
(2R)-2-[[(2S,3R)-3-Amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid	ME1009620	2.19	0.34	0.36	1.22
Dropropizine	ME1009301	2.22	0.36	0.38	1.10
7-Oxomeptazinol	ME1009353	2.19	0.55	0.25	1.01
Tridec-8-enoylcarnitine	ME1009806	2.14	0.51	0.38	0.93
4-(quinuclidin-2-ylmethyl)benzene-1,2-diol	ME1009291	1.91	0.48	0.63	0.97
MG(0:0/18:3(6Z,9Z,12Z)/0:0)	ME1009835	1.93	0.40	0.70	0.94
Avocadene Acetate	ME1009638	1.90	0.40	0.70	0.99
N6-Succinyl adenosine	ME1009874	1.88	0.41	0.66	1.00
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid	ME1009661	1.99	0.41	0.55	1.10
Eicosanoids_12,13diHOME_C18H34O4	ME1009744	1.97	0.44	0.49	1.01
5-(1-oxopropan-2-yl)isolongifol-5-ene	ME1009414	2.11	0.42	0.46	1.02
Dimorphecolic acid	ME1009572	2.12	0.39	0.49	1.01
2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine	ME1009149	2.13	0.28	0.58	1.02
4-Piperidinemethanol, a,a-diphenyl-	ME1009442	2.16	0.29	0.56	0.97
Liquidambaric lactone	ME1010108	1.68	0.68	0.58	1.11
Lumichrome	ME1009319	1.65	0.61	0.64	1.21
Gly Pro Ser	ME1009405	1.82	0.59	0.57	1.04
Leu Ser Trp His	ME1010185	1.80	0.66	0.52	1.05
methyl indole-3-acetic acid	ME1009092	1.73	0.71	0.60	0.92
Indeloxazine	ME1009278	1.71	0.67	0.63	0.98
Metolachlor morpholinone	ME1009290	1.69	0.70	0.60	1.02
Thalictroidine	ME1009289	1.98	0.55	0.52	0.91
N-Benzyladenine	ME1009251	1.94	0.58	0.47	1.03
N-acetyl putrescine hydrochloride	ME1008847	1.90	0.64	0.47	0.99
Propionylcarnitine	ME1009216	1.89	0.63	0.50	0.95
Atractylon	ME1009308	1.85	0.49	0.58	1.17
Estradiol dipropionate	ME1009876	1.77	0.55	0.61	1.13
1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one	ME1009051	1.91	0.49	0.49	1.21
(+)-Isopilocarpine	ME1009179	1.84	0.59	0.46	1.22
taurochenodeoxycholic acid	ME1010093	1.91	0.60	0.43	1.12
1-ethyl-4-(4-methylpiperidyl)-3-nitrohydroquinolin-2-one	ME1009662	2.11	0.59	0.43	0.73
PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	ME1010273	2.16	0.71	0.45	0.59
Thiamine cation	ME1009426	2.02	0.52	0.69	0.53
4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-	ME1009025	1.91	0.68	0.57	0.69
8-hydroxy-6,7-dimethoxychromen-2-one	ME1009235	1.94	0.58	0.64	0.69
Dl-Citrulline	ME1009032	1.87	0.59	0.69	0.72
Desf-08	ME1010141	2.43	0.11	0.50	0.63
Lenticin	ME1009348	2.25	0.35	0.62	0.56
L-Kynurenine	ME1008805	2.29	0.46	0.48	0.55
IAA-Val	ME1009466	2.33	0.33	0.42	0.84
(R)-Higenamine	ME1009455	2.12	0.11	0.45	0.76
5-Butyl-4-hydroxy-3-methyl-6-(3-methyl-2-buten-1-yl)-2(1H)-pyridinone	ME1009362	2.07	0.36	0.68	0.80
TG 8:0_9:0_16:1	ME1010208	2.16	0.29	0.62	0.76
9,12-Octadecadienoic acid (Z,Z)-, methyl ester	ME1009561	2.11	0.16	2.05	0.07
(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione	ME1009431	1.90	0.34	1.17	0.19
LysoPE(16:0/0:0)	ME1010308	2.03	0.14	1.15	0.23
DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/i-19:0)	ME1010217	1.71	0.52	1.12	0.37
TG 9:0_13:1_18:4	ME1010219	1.87	0.54	0.97	0.22

Factors:

F1	Sample source:feces \| Treatment:OVX + normal saline
F2	Sample source:feces \| Treatment:OVX + r-irisin
F3	Sample source:feces \| Treatment:Sham + normal saline
F4	Sample source:QC \| Treatment:Quality Control

Data matrix