Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004454)

(Analysis AN007458)

Metabolite	Structure	F1	F2	F3	F4
-Zearalanol	ME1246112	0.72	0.54	2.24	0.45
XLR11 N-(4-hydroxypentyl) metabolite	ME1246143	2.33	0.12	0.82	0.73
omeprazole n-oxide	ME1245937	1.58	NA	0.59	0.82
4-PYRIDYLTHIOUREA	ME1245890	1.68	0.11	0.95	0.82
N-Acetylvanilalanine	ME1245974	1.78	0.08	1.05	0.78
Molindone	ME1246045	1.83	0.06	0.93	1.02
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE	ME1246193	1.73	0.02	0.79	0.80
Adiphenine	ME1246098	1.75	0.07	0.79	0.92
Miltirone	ME1246089	1.54	0.35	0.83	0.95
gly-phe-phe	ME1245932	1.70	0.29	0.97	0.92
(2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate	ME1246212	1.81	0.21	0.99	1.00
4-Acetylphenylalanine	ME1245967	1.76	0.23	1.09	0.92
2-Hydroxysimazine	ME1245938	1.80	0.41	1.08	0.85
Irgafos 168	ME1246217	1.62	0.41	1.10	0.87
4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dione	ME1246020	1.16	0.80	0.07	1.97
2-{(3R,4S)-3-[(5-Butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}-N,N-diethylacetamide	ME1246157	0.94	1.02	0.12	1.92
Leucyltryptophan	ME1246105	1.02	0.95	0.22	1.82
1-butyl-5-[2-(4-cyanophenyl)hydrazono]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile	ME1246152	1.33	0.63	0.28	1.76
1-{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methanamine	ME1246088	1.09	0.74	0.42	1.66
octopamine	ME1245907	1.06	0.78	0.43	1.64
PC(16:0/0:0)	ME1246199	1.42	0.57	0.70	1.31
Cori ester	ME1246133	1.45	0.55	0.57	1.42
Ifosfamide	ME1246028	1.47	0.54	0.62	1.37
Glycylglycyl-L-valine	ME1245978	1.56	0.42	0.52	1.30
1-stearoyl-sn-glycero-3-phosphoethanolamine	ME1246202	1.54	0.44	0.70	1.32
Gly-Gly-Leu	ME1245903	1.61	0.33	0.74	1.31
2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide	ME1246207	1.53	0.46	0.29	1.54
7-Hydroxycoumarinyl arachidonate	ME1246190	1.69	0.28	0.58	1.45
1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2(1H)-one	ME1246124	1.62	0.39	0.42	1.57
3-Benzyl-5-(6-carboxyhexyl)-1-(2-cyclohexyl-2-hydroxyethylamino)hydantoin	ME1246192	1.58	0.43	0.49	1.50
Tyrosol	ME1245897	1.59	0.42	0.54	1.45
2-[(3,17-Dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]oxyacetic acid	ME1246161	1.31	0.31	0.34	1.60
porphobilinogen	ME1245972	1.61	0.08	0.31	1.66
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	ME1246220	0.92	0.69	1.06	2.02
N-STEAROYLSPHINGOMYELIN	ME1246223	0.80	0.69	1.29	1.65
N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-isopropyl-5-oxo-2-morpholinyl]phenyl}-2-methoxyacetamide	ME1246134	1.34	0.65	0.74	1.28
N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine	ME1246037	1.23	0.71	0.72	1.33
1-Cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(1-piperidinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea	ME1246153	1.29	0.71	0.77	1.23
5-Hydroxyoxindole	ME1245919	1.27	0.74	0.73	1.25
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide	ME1245951	1.27	0.71	0.75	1.27
Adenine	ME1245906	1.20	0.78	0.80	1.22
Morpholine	ME1245879	1.20	0.80	0.81	1.19
1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine	ME1246229	1.19	0.82	0.67	1.31
N,N^-(4-Methyl-1,3-phenylene)dipyrrolidine-1-carboxamide	ME1246018	1.20	0.81	0.73	1.26
2-[(1-benzothiophen-3-ylmethyl)amino]-1-phenylethan-1-ol	ME1246036	1.08	0.65	0.76	1.43
Lys-Lys	ME1245909	1.21	0.69	0.64	1.40
7-acetyl-6-[(3,3-dimethylcyclohexyl)methyl]-3-oxo-1h-2-benzofuran-1-yl acetate	ME1246158	1.30	0.65	0.59	1.46
Lucidenic acid D	ME1246210	1.29	0.70	0.56	1.44
Stearoyl-L-carnitine	ME1246186	1.33	1.09	0.83	0.83
1-tridecanoyl-2-hydroxy-sn-glycero-3-phosphocholine	ME1246191	1.05	1.17	0.96	0.86
2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate	ME1246230	1.14	1.12	0.88	0.90
Poly THF n7	ME1246215	1.22	1.13	0.91	0.82
1,N6-Etheno-adenine	ME1245910	0.96	0.98	1.08	0.98
1-(Cyclohexylmethyl)proline	ME1245892	0.98	0.95	1.06	1.01
BETA-NICOTINAMIDE MONONUCLEOTIDE (ALLCAPS7)	ME1246129	1.01	0.95	1.04	1.00
Holanamine	ME1246116	0.88	1.05	1.00	1.07
Pyrroline	ME1245867	0.91	1.03	1.04	1.02
PC(O-14:0/2:0)	ME1246200	0.91	1.08	1.00	1.00
(2S,3R,4S,5S,6R)-2-[4-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	ME1246156	0.94	1.10	0.99	0.97
beta-D-3-Ribofuranosyluric acid	ME1246081	0.93	1.10	1.01	0.96
4-Oxohexanoate	ME1245891	0.98	1.06	0.98	0.98
1,3,4-Oxadiazole	ME1245868	1.00	1.03	0.99	0.98
Dihydrodaidzein	ME1245898	1.01	1.01	0.98	1.00
N-(3-Carboxypropanoyl)methionine	ME1245920	0.98	0.95	0.93	1.14
Racemethionine	ME1245921	0.98	0.96	0.97	1.09
2-Chloro-N-(5-chloro-2-pyridinyl)acetamide	ME1245939	0.99	1.04	0.84	1.14
Metyrosine	ME1245955	0.98	1.04	0.80	1.18
1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea	ME1246100	0.94	1.07	0.90	1.09
2-Iminothiolane	ME1245883	0.99	1.04	0.90	1.07
Diethylamine	ME1245873	1.03	0.99	1.01	0.97
-Nicotinamide mononucleotide	ME1246128	1.06	0.98	0.97	0.99
3,3-Dibromo-2-n-butylacrylic acid	ME1246061	1.08	0.96	0.98	0.99
Carbamothioic acid	ME1245874	1.06	0.95	0.98	1.01
L-Kynurenine	ME1245968	1.08	0.96	1.04	0.91
1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-piperidinol	ME1245961	1.12	0.91	1.01	0.96
1-Ethylaziridine	ME1245870	1.09	0.94	1.01	0.96
MONOLINOLENIN	ME1246131	1.08	0.96	1.00	0.96
DNP-DL-Methionine	ME1245904	1.05	0.98	0.93	1.04
L-beta-homomethionine	ME1245885	1.05	0.98	0.95	1.02
Carteolol	ME1246071	1.06	0.95	0.91	1.08
1,1-Dibutyl-3-(3-chloro-2-methylphenyl)urea	ME1245901	1.07	0.95	0.93	1.05
Diisobutylphthalate	ME1246051	1.09	0.94	0.92	1.04
fudosteine	ME1245959	1.13	0.89	0.97	1.01
3,4-Diaminopyridine	ME1245888	1.14	0.88	0.98	1.00
760CU98B9K	ME1245923	1.13	0.89	0.98	1.00
8,8a-Deoxyoleandolide	ME1246167	1.11	0.92	0.95	1.02
Poly THF n5	ME1246179	1.09	0.93	0.97	1.00
1-benzhydrylazetane	ME1245991	1.11	0.91	0.91	1.07
(2R)-2-[(Methylcarbamoyl)oxy]-3-(octyloxy)propyl 2-(trimethylammonio)ethyl phosphate	ME1245936	1.17	0.86	0.93	1.03
4-(Butoxycarbonyl)benzoic acid	ME1245965	1.14	0.89	0.93	1.04
CUDA	ME1245981	1.20	0.90	1.03	0.85
Phenacyltriphenylphosphonium	ME1246050	1.21	0.77	1.03	0.98
Prolylleucine	ME1245997	1.19	0.77	1.03	1.01
Fyrol DMMP	ME1245889	1.22	0.80	0.95	1.02
N-Isobutyl-3-methylbutanamide	ME1245924	1.23	0.79	0.98	0.99
val-phe	ME1246035	1.26	0.78	0.98	0.98
2,2-dichloro-1,1-ethanediol	ME1245902	1.13	0.87	1.03	0.96
N-Butylbenzenesulfonamide	ME1245977	1.16	0.85	1.03	0.96
4-Hydroxybenzoylcholine	ME1245990	1.19	0.84	1.03	0.94
O6-MeG	ME1245927	1.20	0.82	1.03	0.94
Butyronitrile	ME1245866	1.20	0.85	0.98	0.98
L-Proline	ME1245893	1.18	0.85	1.01	0.96
Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate	ME1246012	1.19	0.84	1.00	0.97
Oleamide	ME1246057	1.18	0.85	1.00	0.98
Triethyl phosphate	ME1245935	1.17	0.83	1.08	0.92
14(S)-HDHA	ME1246118	1.14	0.90	1.04	0.92
5-[(Adamantan-1-ylmethyl)amino]-N,N,N-trimethyl-1-pentanaminium	ME1245913	1.16	0.87	1.06	0.91
3,4-Methylenedioxy PV9	ME1246106	1.16	0.98	0.70	1.19
L-Aspartic acid -benzyl ester	ME1245987	1.27	1.01	0.73	1.09
Bis(4-ethylbenzylidene)sorbitol	ME1246183	1.16	0.84	0.89	1.11
Hypoxanthine	ME1245908	1.21	0.82	0.88	1.10
1-(3-Chloro-4-fluorophenyl)-1H-pyrrole-2-carbaldehyde	ME1245986	1.22	0.81	0.90	1.07
1-heptadecanoyl-sn-glycero-3-phosphocholine	ME1246209	1.20	0.82	0.91	1.07
3-Bromo-4-quinolinamine	ME1245983	1.05	0.96	0.87	1.12
Befunolol	ME1246070	1.04	0.98	0.86	1.13
3-Fluoro-DL-phenylalanine	ME1246163	1.08	0.90	0.88	1.14
(S,E)-clovamide	ME1246159	1.11	0.92	0.84	1.13
Uridine 5_-(trihydrogen diphosphate)	ME1246181	1.07	0.94	0.84	1.14
4,6^-Epoxyorotiniflavan-4-ol	ME1246188	1.07	0.89	0.85	1.19
Platelet-activating factor	ME1246213	1.06	0.90	0.82	1.23
3^,4^-Methylenedioxy-N-tert-butylcathinone	ME1246021	1.16	0.85	0.81	1.18
2-(3,5-Dimethylphenoxy)butanoic acid	ME1245969	1.12	0.88	0.79	1.21
Adenosine monophosphate (AMP)	ME1246145	1.14	0.89	0.80	1.17
1H-Imidazol-2-amine	ME1245876	0.88	0.90	1.30	1.02
LysoPC(18:3(6Z,9Z,12Z)/0:0)	ME1246211	1.15	0.81	1.16	0.88
Methylenediphosphonic acid	ME1245931	1.16	0.86	1.14	0.85
2-Hydroxy-5-octenoylcarnitine	ME1246083	1.10	0.93	1.10	0.87
N6-METHYLLYSINE	ME1245925	1.11	0.93	1.16	0.81
9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one	ME1246086	1.08	0.86	1.21	0.85
Guanine	ME1245922	1.09	0.89	1.20	0.83
L-Tryptophyl-L-proline	ME1246082	1.01	1.01	1.17	0.81
1-Hydroxy-3-(palmitoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate	ME1246135	1.04	0.94	1.16	0.86
1-oleoyl-sn-glycero-3-phosphoethanolamine	ME1246194	0.97	0.95	1.22	0.85
3-Amino-2-pentanol	ME1245887	0.99	0.94	1.19	0.88
Monoelaidin	ME1246138	1.01	0.93	1.21	0.85
11-Ethyl-13-methyl-6-methylene-11-azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecane-4,7,16-triol	ME1246140	0.94	0.98	1.16	0.93
Fluoroacetic acid	ME1245875	0.95	1.07	1.12	0.87
N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}-3-methylbutanamide	ME1246092	1.48	0.71	1.13	0.71
N,N-dimethyl-Safingol	ME1246121	1.43	0.56	1.23	0.78
2-(METHYLTHIO)ACETOPHENONE	ME1245895	1.47	0.55	1.21	0.77
Stearic acid	ME1246085	1.47	0.53	1.23	0.76
bis-desmethoxycurcumin	ME1245916	1.47	0.55	1.15	0.82
Palmitic Acid	ME1246078	1.44	0.59	1.17	0.80
2-(3-Hexyl-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-hydroxypropanoic acid	ME1246059	1.45	0.58	0.98	0.92
N-(1-Deoxy-1-fructosyl)proline	ME1246047	1.44	0.60	1.06	0.83
LATIFOLICININ C ACID	ME1245926	1.48	0.55	1.06	0.91
N^1-[2-chloro-4-(dimethylamino)benzylidene]-3-(4-hydroxyphenyl)propanohydrazide	ME1246141	1.46	0.57	1.10	0.88
1,2-Dioleoyl-sn-glycerol	ME1246137	1.26	0.72	1.06	0.96
3-phenyl-DL--alanine	ME1245928	1.29	0.74	1.05	0.92
N6,N6,N6-Trimethyl-L-lysine	ME1245946	1.28	0.75	1.08	0.89
gamma-Glutamyltyrosine	ME1246096	1.28	0.71	1.19	0.82
N,N-Dimethyldecylamine N-oxide	ME1245962	1.30	0.71	1.16	0.83
1-(1H-Purin-6-yl)-4-piperidinamine	ME1246011	1.35	0.65	1.16	0.83
N-Acetylprocainamide	ME1246049	1.35	0.68	1.10	0.88
Glutamylvaline	ME1246019	1.30	0.71	1.34	0.65
Lauryldimethylamine oxide	ME1245999	1.32	0.68	1.28	0.72
leu-gly-leu	ME1246084	1.33	0.68	1.31	0.68
2-Acetamidooctanoic acid	ME1245960	1.21	0.79	1.19	0.81
Valylproline	ME1245979	1.24	0.79	1.22	0.76
3-hydroxy-6-[(4E)-3-hydroxy-2,4-dimethylhept-4-enamido]-2,4-dimethyl-5-oxohexanoic acid	ME1246117	1.29	0.74	1.21	0.76
2-Aminoisobutyric Acid	ME1245886	1.27	0.74	1.25	0.73
LUMICHROME	ME1246014	1.26	0.75	1.29	0.70
5-{5-[(2S)-1-Benzyl-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-N-(2-methoxyethyl)-2-pyridinamine	ME1246180	1.66	0.69	0.81	0.80
Erucamide	ME1246136	1.49	0.76	0.90	0.89
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3-phosphocholine	ME1246224	1.54	0.66	0.75	1.14
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	ME1246227	1.38	0.58	0.95	1.08
DL-3-Hydroxykyunrenine	ME1245992	1.42	0.62	0.94	1.03
C17 Sphingosine	ME1246064	1.46	0.56	0.87	1.03
ATEE	ME1245933	1.51	0.52	0.93	1.04
h-d-tyr-otbu	ME1246006	1.51	0.52	0.98	0.98
Decanamide	ME1245930	1.36	0.66	1.01	0.98
2,2,6,6-Tetramethyl-4-piperidyl Methacrylate	ME1245996	1.39	0.63	1.04	0.94
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1-methyl-1H-imidazol-5-yl)-1,3,4-oxadiazole	ME1246101	1.36	0.67	1.04	0.93
Diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate	ME1246039	1.33	0.75	0.94	0.93
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion	ME1246226	1.35	0.67	0.96	1.01
Methyl palmitate	ME1246066	1.37	0.64	0.97	1.02
3-Acetamidophenoxyacetic acid	ME1245949	1.34	0.70	0.93	1.04
dichlorvos	ME1245912	1.33	0.66	0.94	1.06
Sarcosine	ME1245882	1.35	0.66	0.94	1.05
Stearamide	ME1246060	1.29	0.73	0.93	1.05
2-{[(2Z)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]amino}-3-hydroxybenzoic acid	ME1246114	1.32	0.71	0.97	1.00
2-Propanol, 1-((1-methylethyl)amino)-3-(2,4,6-tripropylphenoxy)-	ME1246132	1.32	0.71	0.98	0.99
Monoisobutyl phthalic acid	ME1245984	1.30	0.73	0.98	0.99
Phthalic anhydride	ME1245918	1.29	0.73	0.97	1.00
5-({[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)-4-pentyl-4H-1,2,4-triazol-3-ol	ME1246171	1.35	0.61	0.84	1.20
3-Aminodecanoic acid	ME1245943	1.31	0.66	0.92	1.12
2,3-Dihydroxypropyl 2-[(9Z)-9-octadecenoylamino]ethyl hydrogen phosphate	ME1246195	1.29	0.71	0.86	1.15
acetoxyacetanilide	ME1245950	1.29	0.75	0.84	1.13
6-Ketoestriol	ME1246087	0.76	1.13	1.09	1.03
PC(17:2(9Z,12Z)/0:0)	ME1246205	0.77	1.26	1.10	0.87
5-(4-Methylphenyl)-7-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-4-amine	ME1246063	0.84	1.13	1.13	0.90
Isoamylamine	ME1245880	0.81	1.19	1.13	0.87
Secbumetone	ME1245995	0.75	1.24	0.84	1.17
Cyclopropyl fentanyl	ME1246148	0.77	1.25	0.80	1.18
RZ2670000	ME1246008	0.80	1.23	0.79	1.18
6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-1-isoindolinone	ME1246074	0.89	1.12	0.89	1.10
Methyl (2R,4S,6S,12bR)-4-(4-fluorophenyl)-2-{[2-(4-morpholinyl)ethyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate	ME1246206	0.85	1.16	0.84	1.16
Corynoxeine	ME1246174	0.64	1.47	0.79	0.92
(3-Aminopropyl)(cyclohexylmethyl)phosphinic acid	ME1246189	0.68	1.50	0.79	1.11
Amixetrine	ME1246031	0.65	1.35	0.79	1.20
(5as,5br,7as,11as,11br,13s,13ar)-2,5b,8,8,11a,13a-hexamethyl-5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-phenanthro[2,1-e]isoindol-13-yl acetate	ME1246184	1.16	1.04	0.35	1.46
N-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-morpholinecarboxamide	ME1246056	0.98	1.25	0.34	1.47
1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHATIDYLETHANOLAMINE	ME1246225	0.86	0.88	0.88	1.57
2-amino-4-{[2-({[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxy}methyl)phenyl]carbamoyl}butanoic acid	ME1246178	0.83	0.92	0.73	1.43
Ritodrine	ME1246041	0.89	0.86	0.83	1.37
4-[(E)-2-[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one	ME1246102	1.01	0.91	0.51	1.57
Cyclo-(Glycyl-L-Prolyl-L-Glutamyl)	ME1246058	0.95	0.91	0.51	1.56
desethylzaleplon	ME1246032	0.88	0.98	0.59	1.48
Ergothioneine	ME1245998	0.95	0.99	0.57	1.49
3-isopropoxy-4-morpholinocyclobut-3-ene-1,2-dione	ME1245994	1.01	0.91	0.72	1.36
Palmitoyl sphingomyelin	ME1246219	1.12	0.87	0.60	1.42
6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione	ME1246001	0.84	1.19	0.69	1.28
Cinoctramide	ME1246125	0.85	1.15	0.65	1.35
2-Ethyl-N-{4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}butanamide	ME1246109	0.94	1.06	0.67	1.33
5-O-Methylvisamminol	ME1246068	0.86	1.02	0.75	1.33
3-methyl-4-(methylamino)-1,2-diphenylbutan-2-yl propanoate	ME1246094	0.74	1.10	0.59	1.49
Ethyl 4-hydroxy-5,8-dimethoxyquinoline-3-carboxylate	ME1246046	0.80	1.08	0.66	1.41
Biopterin	ME1246005	0.88	1.13	0.52	1.47
3-(5-Isobutyl-3,6-dioxo-2-piperazinyl)propanoic acid	ME1246015	0.70	1.27	0.59	1.44
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one	ME1246033	0.77	1.20	0.54	1.49
Pinometostat	ME1246216	0.79	1.21	0.55	1.45
8H-Purin-8-one, 7-(2-butynyl)-7,9-dihydro-9-(6-methoxy-3-pyridinyl)-6-(1-piperazinyl)-	ME1246170	0.86	1.11	0.40	1.63
Pheniramine	ME1246013	0.78	1.09	0.42	1.61
Methyl N-(2-hydroxy-3-methylbutanoyl)valinate	ME1246003	0.57	1.30	0.56	1.50
4-Hydroxypenbutolol	ME1246095	0.63	1.36	0.44	1.57
O-Benzyl-D-serine	ME1246176	0.73	1.30	0.43	1.49
fingolimod-P	ME1246177	1.03	0.94	1.32	0.71
Ile-Glu	ME1246029	1.10	0.92	1.29	0.69
Putrescine	ME1245881	1.07	0.95	1.33	0.66
1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid	ME1245942	1.15	0.87	1.30	0.68
ethametsulfuron-methyl [ANSI]	ME1245954	1.16	0.85	1.37	0.62
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine	ME1246222	0.94	0.81	1.49	0.64
1-(Dimethylcarbamoyl)-3-piperidinecarboxylic acid	ME1245985	0.97	1.02	1.38	0.62
8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methyl-2-quinolinone	ME1246093	1.01	0.96	1.43	0.60
PV9	ME1246043	1.01	0.92	1.42	0.64
2-Methyl-1,2-propanediamine	ME1245871	0.91	1.03	1.49	0.58
L-Valine	ME1245894	0.97	0.95	1.56	0.53
N-oleoylsphingosine-1-phosphocholine	ME1246221	1.02	0.77	1.84	0.65
Cordycepin	ME1246022	1.12	0.81	1.65	0.42
Pyrrolidine	ME1245869	1.08	0.85	1.61	0.46
Kaurenoic acid methyl ester	ME1246103	0.87	1.03	1.76	0.34
methyl isoquinoline-3-carboxylate	ME1245940	0.72	1.24	1.68	0.36
10-Nitrolinoleate	ME1246146	0.77	1.51	1.19	0.54
D-Ornithine	ME1245905	0.89	1.10	1.34	0.67
(-)-O-desmethylvenlafaxine	ME1246034	0.80	1.21	1.33	0.66
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one	ME1245899	0.79	1.15	1.34	0.72
Tyr-Gly	ME1246007	0.85	1.14	1.29	0.72
(2S)-5-Amino-2-{[(2R)-2-ammonio-4-methylpentanoyl]amino}-5-oxopentanoate	ME1246026	0.93	1.16	1.38	0.52
3-linoleoyl-sn-glycerol	ME1246154	0.82	1.20	1.41	0.58
PC(O-16:0/3:1(2E))	ME1246214	0.78	1.23	1.46	0.54
Ala-Val	ME1245945	0.63	1.38	1.43	0.56
4-Oxododecanedioic acid	ME1245970	0.52	1.45	1.43	0.61
Lethidrone	ME1246097	0.54	1.42	1.48	0.56
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl myristate	ME1246185	0.72	1.25	1.38	0.66
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	ME1245971	0.65	1.34	1.32	0.69
LysoPC(16:1(9Z)/0:0)	ME1246198	0.63	1.36	1.35	0.66
3-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-2-carboxylic acid	ME1245956	1.20	0.28	1.67	0.06
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	ME1246231	1.53	0.71	1.38	0.42
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	ME1246228	1.50	0.68	1.29	0.61
L-Isoleucyl-L-alanine	ME1245964	1.39	0.62	1.34	0.65
Piperidine	ME1245878	1.47	0.54	1.32	0.66
Spermidine	ME1245915	1.31	0.60	1.43	0.73
3-Formylindole	ME1245914	1.37	0.61	1.55	0.47
Acetone oxime	ME1245872	1.28	0.69	1.48	0.55
L-Lysine	ME1245917	1.34	0.66	1.47	0.53
(2S,3R,4E)-2-(Dodecanoylamino)-3-hydroxy-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate	ME1246218	1.33	0.63	1.46	0.57
Tetrahydropyridine	ME1245877	1.35	0.65	1.43	0.57
N-(1-Deoxy-1-fructosyl)isoleucine	ME1246072	1.72	0.23	1.54	0.38
Cadaverine	ME1245884	1.53	0.48	1.34	0.56
L-Threonine	ME1245896	1.64	0.36	1.42	0.57
Pro-Pro	ME1245976	1.41	0.54	1.68	0.37
1-Naphthyl isocyanate	ME1245929	1.52	0.49	1.54	0.46
3-(3,4,5-trimethoxyphenyl)propanoic acid	ME1246024	1.57	0.36	1.61	0.45
C4-Carnitine	ME1246002	0.20	1.52	0.73	1.41
Methoxamine	ME1245975	0.30	1.70	0.74	1.26
4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester	ME1246144	0.53	1.54	0.48	1.22
2-[(3S)-1-(1-Methyl-4-piperidinyl)-3-pyrrolidinyl]-1H-benzimidazole	ME1246062	0.48	1.50	0.73	1.29
Benocyclidine	ME1246079	0.48	1.40	0.75	1.33
Anandamide (AEA)	ME1246147	0.52	1.65	0.21	1.72
(3R,4R)-N-Ethyl-4-hydroxy-3-[(4-methoxybenzoyl)amino]-1-azepanecarboxamide	ME1246104	0.36	1.63	0.20	1.71
N-Arachidonylglycine	ME1246175	0.39	1.58	0.27	1.66
N8-Acetylspermidine	ME1245944	0.50	1.45	0.36	1.69
AB-FUBINACA metabolite 3	ME1246165	0.38	1.50	0.43	1.60
Trilostane	ME1246149	0.41	1.60	0.39	1.60
4-Oxo-4-[(3-oxo-2-decanyl)amino]butanoic acid	ME1246073	0.27	1.74	0.58	1.41
5-Amino-2-(3-hexyl-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-oxopentanoic acid	ME1246052	0.13	1.86	0.58	1.43
Arnicolide D	ME1246123	0.05	1.72	0.34	1.42
Lecanindole B	ME1246151	0.16	1.72	0.44	1.59
1-[(1R,2S,10S,12S,13R,16R,18R)-16-hydroxy-1,13,17,17-tetramethyl-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7-trien-9-yl]ethanone	ME1246173	0.20	1.41	0.35	1.32
16-Hydroxydehydroepiandrosterone	ME1246110	NA	1.53	0.17	1.30
2,3-Dihydroxy-9,10,11-trimethoxy-5,8,13,13a-tetrahydroxy-6H-dibenzo(a,g)chinolysin	ME1246155	0.04	1.57	0.18	1.40
Ajaconine	ME1246172	0.14	1.21	NA	1.65
Hydroxy Ebastine	ME1246197	0.05	1.36	NA	1.59
4-Hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one	ME1246010	0.49	0.83	NA	1.67
N-(5-chloro-2-methoxyphenyl)-N^-(4-piperidinophenyl)urea	ME1246160	0.72	0.71	0.10	1.72
Tuberostemonine H	ME1246168	0.34	1.05	NA	1.61
11,13,14-Trihydroxyhetisan-2-yl acetate	ME1246150	0.42	1.00	0.14	1.72
N-(m-Methoxybenzyl)hexadecanamide	ME1246169	0.48	1.12	0.17	1.81
Rivastigmine	ME1245966	0.45	1.21	0.08	1.80
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	ME1246142	0.72	1.24	0.22	1.81
(7Z)-3-Oxo-N-[(3S)-2-oxotetrahydro-3-furanyl]-7-tetradecenamide	ME1246113	0.51	1.46	0.11	1.92
.gamma. Dodecalactone	ME1245958	0.62	1.27	0.06	2.06
Cetaben	ME1246162	0.05	1.45	1.72	1.31
4-N-[1-(Dimethylamino)ethyl]benzene-1,4-diamine	ME1245934	0.49	1.52	1.36	0.20
palmitoleoyl ethanolamide	ME1246055	0.25	1.71	1.79	0.25
Ile-val	ME1246000	0.19	1.80	1.62	0.38
N-(2-Hydroxy-3-methylbutanoyl)valine	ME1246009	0.29	1.66	1.64	0.41
3,3^-(1,4-Cyclohexanediyl)bis(1,1-diethylurea)	ME1246130	NA	1.55	0.90	0.56
Ohmefentanyl	ME1246164	NA	1.56	0.90	0.53
N-Octyl-2-pyrrolidone	ME1245957	NA	1.62	0.90	0.48
Salsolinol-1-carboxylic acid	ME1245988	NA	1.60	0.97	0.43
5-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-2-methylcyclohex-5-ene-1,2,4-triol	ME1245973	0.05	1.68	1.04	0.59
Dicyclomine	ME1246122	0.14	1.68	1.00	0.60
D-Seryl-L-leucine	ME1245982	0.18	1.74	1.10	0.70
N-Butyl-1H-benzimidazol-2-amine	ME1245948	0.12	1.77	1.04	0.77
Ile-Ile	ME1246016	0.25	1.62	0.90	0.72
3-Hydroxy-N-[(3S)-2-oxotetrahydro-3-furanyl]decanamide	ME1246042	0.14	1.70	0.87	0.85
Monocrotaline	ME1246115	0.14	1.70	0.84	0.89
1-pentadecanoyl-sn-glycero-3-phosphocholine	ME1246196	0.14	1.65	0.65	0.98
UR-144 N-5-HYDROXYPENTYL	ME1246119	0.31	1.62	0.68	0.82
Metoprolol	ME1246040	NA	1.57	0.42	1.01
Nalmefene	ME1246139	NA	1.55	0.52	0.93
ethyl 1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxylate	ME1246075	NA	1.61	0.48	0.91
3-Hydroxybupivicaine	ME1246090	NA	1.61	0.48	0.92
4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one	ME1246048	NA	1.61	0.47	0.92
Norbutorphanol	ME1246027	NA	1.65	0.60	0.75
4-[(6E)-3-Hydroxy-8,10-dimethyl-2-(methylamino)-6-dodecen-1-yl]phenol	ME1246127	NA	1.63	0.64	0.73
Epothilone B	ME1246208	NA	1.61	0.64	0.76
methyl 2-(dimethylamino)-3-hydroxy-14-oxo-4,10-bis(prop-1-en-2-yl)-13,15,16-trioxatetracyclo[9.2.2.1,.0,]hexadeca-5,7-diene-7-carboxylate	ME1246187	NA	1.61	0.54	0.85
17-Methyl-androstan-3-hydroxyimine-17-ol	ME1246108	NA	1.60	0.59	0.81
Piboserod	ME1246166	NA	1.62	0.57	0.80
Isoprenaline	ME1245952	0.08	1.69	0.75	0.71
4-(benzoylamino)-3-hydroxybutanoic acid	ME1245989	NA	1.61	0.73	0.66
Drofenine	ME1246107	NA	1.63	0.71	0.65
1-[(2R,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine	ME1246065	NA	1.64	0.72	0.64
3-(3,4-Dimethoxyphenyl)-2-methyl-6-methylaminohexane-3-carbonitrile	ME1246069	NA	1.65	0.71	0.64
metalaxyl-M	ME1246053	NA	1.61	0.67	0.71
(+/-)-threo-Propylphenidate	ME1246030	NA	1.62	0.69	0.69
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid	ME1246017	NA	1.62	0.69	0.68
N-(1-Adamantyl)urea	ME1245953	NA	1.63	0.69	0.68
(1S,7R)-Octahydro-1,6,7,8-indolizinetetrol	ME1245947	NA	1.64	0.67	0.70
6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate	ME1246091	NA	1.65	0.68	0.67
1-(4-Isopropoxyphenyl)-3-(1-piperidinyl)-1-propanone	ME1246044	NA	1.66	0.67	0.67
4-Methoxy PV8	ME1246067	NA	1.65	0.67	0.68
Ectoine	ME1245911	NA	1.57	0.71	0.72
Celestolide	ME1246038	NA	1.56	0.75	0.69
Stearidonoyl glycine	ME1246126	NA	1.58	0.76	0.66
hexaminolevulinate	ME1245980	0.01	1.76	1.38	0.77
4-Hydroxy-1-propionylproline	ME1245941	0.19	1.83	1.01	0.97
Metformin	ME1245900	0.04	1.95	0.87	1.14
all-cis-4,7,10,13,16-Docosapentaenoic acid	ME1246099	0.15	1.53	1.16	1.29
Isamoxole	ME1245993	0.40	1.61	1.41	0.57
Alanyl-Leucine	ME1245963	0.36	1.60	1.20	0.63
Nylidrin	ME1246080	0.39	1.58	1.30	0.74
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-4-methoxybenzamide	ME1246204	0.10	1.51	1.05	0.88
L-Isoleucyl-L-threonine	ME1246004	0.44	1.57	0.97	0.92
vitamine a acetate	ME1246120	0.44	1.48	0.99	1.10
2-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate	ME1246201	0.39	1.60	0.92	1.08
(2R)-6-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-2-hexanyl acetate	ME1246111	0.41	1.58	0.93	1.08
13-Hydroxy-6-(1-hydroxyethyl)-9-isopropyl-12,14-dimethyl-3-methylene-15-nonyl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone	ME1246203	0.47	1.40	1.21	0.95
{3-[(3-{[4-(Hydroxymethyl)cyclohexyl]amino}-3-oxetanyl)methyl]-1,2-oxazol-5-yl}methanol	ME1246076	0.35	1.49	1.15	1.01
(+/-)-threo-Ethylnaphthidate	ME1246077	0.42	1.54	1.16	0.89
Icaridin	ME1246023	0.36	1.61	1.13	0.89
Veratramine	ME1246182	0.38	1.60	1.18	0.84
4,4^-Diisocyanatodicyclohexylmethane	ME1246054	0.21	1.69	1.16	0.97
D-Homoproline	ME1246025	0.26	1.61	1.19	0.96

Factors:

F1	Sample source:insect \| Species:Arma chinensis \| Sex:F
F2	Sample source:insect \| Species:Arma chinensis \| Sex:M
F3	Sample source:insect \| Species:Halyomorpha halys \| Sex:F
F4	Sample source:insect \| Species:Halyomorpha halys \| Sex:M

Data matrix