Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics of bovine uterine fluid at the onset of conceptus elongation (Study ST000335)

UHPLC HESI NEGATIVE ION MODE (Analysis AN000541)

Metabolite	Structure	F1	F2	F3	F4	F5
Hamamelitannin_1	ME117896	0.00	0.12	9.71	0.01	0.01
(Z)-Resveratrol 3,4^-diglucoside	ME117693	0.03	0.01	NA	7.87	0.03
Gallium nitrate	ME117879	0.09	0.08	1.34	4.12	1.01
Prostaglandin F2a_2	ME117998	0.08	0.05	0.04	4.75	0.08
Lubiprostone	ME117939	0.01	0.00	0.00	4.97	0.01
Ustiloxin C	ME118050	0.01	0.01	NA	4.95	0.02
Deoxypyridinoline	ME117842	0.00	NA	NA	2.99	0.00
KB 2	ME117923	0.01	NA	NA	3.48	0.01
8-iso-15-keto-PGE2	ME117781	4.46	0.07	0.09	0.26	0.12
Homoveratric acid_1	ME117903	4.20	0.09	0.43	0.14	0.15
Gentisic acid_2	ME117883	0.29	0.28	0.96	0.23	3.24
Hippuric acid	ME117898	0.60	0.57	0.59	0.29	2.96
Aminoparathion	ME117789	0.59	0.60	0.48	0.32	3.00
Phenylacetylglycine	ME117989	0.58	0.61	0.50	0.32	3.00
Indoxyl sulfate	ME117915	0.59	0.46	0.44	0.35	3.16
(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside	ME117689	0.54	0.43	0.55	0.23	3.25
Salicyluric acid	ME118011	0.48	0.56	0.54	0.22	3.21
Sinalbin B	ME118019	0.51	0.52	0.56	0.21	3.20
2-Methylbutyrylglycine_1	ME117720	0.73	0.47	0.64	0.45	2.71
O-methoxycatechol-O-sulphate	ME117977	0.52	0.52	0.86	0.28	2.82
Salsoline-1-carboxylate	ME118012	0.48	0.55	0.72	0.32	2.82
Emtricitabine	ME117865	0.66	0.62	0.63	0.31	2.78
Lamivudine-monophosphate	ME117926	0.67	0.64	0.63	0.29	2.76
N-Acetylvanilalanine	ME117964	0.62	0.54	0.77	0.18	2.89
Phenol sulphate	ME117988	0.68	0.58	0.73	0.23	2.78
clofarabind-5^-monophosphate	ME117826	0.64	0.53	0.72	0.27	2.84
Pseudoecgonine	ME117999	0.60	0.59	0.76	0.22	2.83
Pyrocatechol sulfate	ME118001	0.61	0.59	0.73	0.27	2.80
Nalidixic Acid	ME117965	0.24	0.36	0.19	0.10	4.43
Diphenyl disulfide	ME117856	0.37	0.36	0.58	0.19	3.52
Indolelactic acid	ME117914	0.50	0.40	0.37	0.24	3.49
5-Sulfoxymethylfurfural	ME117775	0.25	0.43	0.28	0.10	3.52
Metaxalone	ME117944	0.32	0.43	0.38	0.22	3.52
Midazolam	ME117957	0.53	0.45	0.20	0.29	3.78
Liquiritin	ME117933	0.28	0.38	0.46	0.13	4.12
3-Mercaptolactate-cysteine disulfide	ME117750	0.46	0.43	0.51	0.25	3.83
Thorium_2	ME118036	0.38	0.39	0.53	0.18	3.86
Dacarbazine_2	ME117835	0.55	1.66	0.54	0.54	1.71
Methyl 1-(1-propenylthio)propyl disulfide_1	ME117948	0.35	1.63	0.97	0.35	1.81
Thorium_1	ME118035	0.59	0.43	1.40	0.29	2.54
3-Methylcrotonylglycine	ME117754	0.57	0.97	0.60	0.63	2.23
Bergaptol	ME117804	0.91	0.49	1.04	0.28	2.29
2-Methylbutyrylglycine_3	ME117722	0.92	0.56	0.80	0.55	2.17
Oxalosuccinic acid	ME117980	0.76	0.69	0.97	0.44	2.13
p-Cresol sulfate	ME117984	0.80	0.70	0.95	0.45	2.10
2-Methylbutyrylglycine_2	ME117721	0.83	0.62	0.98	0.58	1.99
Topiramate	ME118041	0.93	0.58	1.04	0.42	2.03
3-Ethylpyridine	ME117733	0.81	2.24	0.60	0.83	0.52
3-(3-Hydroxyphenyl)propanoic acid	ME117725	0.56	0.07	0.92	2.21	1.24
p-Hydroxyphenylacetic acid_1	ME117993	0.39	0.23	1.12	1.76	1.51
Calcium Gluceptate	ME117812	0.58	0.85	1.99	1.54	0.56
2-Aminomuconic acid	ME117710	0.60	1.05	1.85	0.93	0.57
Epicatechin_3	ME117868	0.86	1.05	1.84	0.84	0.40
Zafirlukast metabolite M5	ME118057	0.87	0.99	1.81	1.01	0.45
Ergothioneine	ME117869	0.33	0.62	2.82	1.34	0.49
4-[2,2^-Bithiophen-5-yl]-3-butyn-1-ol	ME117758	0.53	0.38	2.39	1.06	0.64
Ribothymidine_2	ME118008	0.40	0.53	2.20	1.27	0.65
Lomustine	ME117937	0.43	0.90	2.87	0.61	0.19
Tetraphyllin B_2	ME118034	0.21	0.94	2.87	0.73	0.75
Tolcapone	ME118037	0.54	0.34	2.75	0.36	1.10
Dibenzyl disulfide	ME117847	1.23	0.43	2.45	0.68	0.40
7-Hydroxyticlopidine	ME117780	0.77	0.47	2.24	0.87	0.87
Sulfamethoxazole_1	ME118022	0.65	0.50	2.14	0.75	0.96
3a,7a,12b-Trihydroxy-5b-cholanoic acid	ME117728	0.75	0.81	2.12	0.63	0.69
Lucidenic acid G	ME117940	0.73	0.79	2.25	0.56	0.67
1-Isothiocyanato-8-(methylthio)octane	ME117700	0.87	0.67	2.09	0.62	0.75
Monoisobutyl phthalic acid	ME117959	0.83	0.74	1.92	0.73	0.78
Deoxycholic acid glycine conjugate	ME117841	0.83	0.74	2.38	0.31	0.73
Glycocholic acid	ME117894	0.71	0.69	2.54	0.32	0.74
Taurocholic acid	ME118030	0.82	0.52	2.55	0.30	0.70
Tauroursodeoxycholic acid	ME118031	0.95	0.62	2.52	0.18	0.67
cis-3-Chloroallyl aldehyde	ME117820	0.45	0.75	2.48	0.77	0.55
Epicatechin_2	ME117867	0.54	0.58	2.36	0.76	0.76
Isoplumbagin	ME117919	0.86	0.71	2.47	0.72	0.48
Flusilazole	ME117872	0.92	0.41	2.48	0.64	0.55
Norepinephrine_2	ME117970	0.76	0.52	2.58	0.56	0.58
Topaquinone_2	ME118039	0.83	0.52	2.52	0.53	0.60
Garcinone B	ME117880	0.60	0.50	2.55	0.80	0.39
N-Acetyl-L-aspartic acid	ME117963	0.60	0.43	2.86	0.58	0.53
Melibiose	ME117943	0.63	0.55	2.73	0.62	0.46
Potassium 2-(1^-ethoxy) ethoxypropanoate	ME117995	0.63	0.46	2.71	0.71	0.49
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	ME117704	0.79	0.67	2.77	0.42	0.54
2-Amino-5,6-dichloro-3,4,-dihydroquinazoline	ME117709	0.53	0.52	2.63	0.46	0.70
Ethylphosphate	ME117870	1.91	0.76	0.95	1.33	0.11
N-Acetylcystathionine	ME117962	1.51	1.02	0.73	1.67	0.18
I(-)	ME117908	2.34	0.10	0.69	0.82	1.05
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	ME117699	2.23	0.72	0.86	0.68	0.51
Prostaglandin F2a_1	ME117997	2.13	0.51	0.80	1.03	0.52
Diflunisal	ME117852	2.02	0.59	0.66	0.84	0.89
Glutaconic acid_1	ME117888	1.90	0.84	0.65	1.05	0.55
Carbenicillin	ME117815	1.73	0.71	0.96	0.42	1.18
9,12,13-TriHOME_3	ME117784	1.85	0.71	1.02	0.58	0.85
Imidazole acetol-phosphate_1	ME117909	1.70	0.80	0.93	0.68	0.89
Xanthine	ME118056	1.74	0.78	0.96	0.67	0.85
Oleic acid	ME117975	1.60	0.83	1.28	0.51	0.77
2,3-Diaminosalicylic acid	ME117705	1.44	0.71	1.16	0.60	1.08
Angelicin_2	ME117793	1.46	0.67	1.21	0.75	0.91
Cytidine	ME117832	1.47	0.62	1.28	0.68	0.95
Methoxsalen	ME117946	1.41	0.67	1.33	0.64	0.95
3-Fumarylpyruvate	ME117734	1.63	0.56	1.09	0.78	0.95
4-Hydroxydiphenylamine	ME117763	1.65	0.70	1.13	0.70	0.81
L-Glutamic acid	ME117929	1.53	0.72	1.18	0.80	0.77
Norfuraneol	ME117971	1.42	0.28	1.84	0.76	0.71
D-Glucose	ME117845	1.42	0.45	1.62	0.58	0.93
2-Hydroxyadipic acid	ME117713	1.37	0.56	1.70	0.47	0.90
Tetraphyllin B_1	ME118033	1.36	0.54	1.78	0.49	0.83
Dihydrolipoate	ME117853	1.46	0.48	1.39	0.52	1.15
Sulfapyridine	ME118027	1.24	0.65	1.41	0.58	1.12
Uric acid	ME118046	1.28	0.76	1.40	0.53	1.02
3-Dechloroethylifosfamide_2	ME117730	1.50	0.59	1.46	0.50	0.96
5-Acetylamino-6-formylamino-3-methyluracil	ME117770	1.38	0.57	1.47	0.66	0.92
LysoPC(15:0)	ME117941	1.34	0.66	1.53	0.55	0.92
4-Chloro-3,5-dimethoxybenzaldehyde	ME117759	1.78	0.35	1.66	0.34	0.87
Fexofenadine	ME117871	1.61	0.36	1.67	0.58	0.78
Cholesterol sulfate	ME117817	1.49	0.37	1.66	0.29	1.20
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	ME117942	1.66	0.28	1.50	0.46	1.10
Uracil	ME118045	2.27	0.36	1.23	0.61	0.53
3-keto-Digoxigenin	ME117749	1.80	0.56	1.68	0.58	0.38
5,6-Epoxy-8,11,14-eicosatrienoic acid	ME117768	1.78	0.54	1.68	0.58	0.41
Uridine_2	ME118048	0.98	0.58	1.55	0.46	1.43
2-Methoxystypandrone	ME117717	0.64	0.71	1.70	0.56	1.50
Ascorbic acid_1	ME117799	0.76	0.80	1.48	0.56	1.41
2,4-Dihydroxyacetophenone 5-sulfate	ME117706	0.87	0.70	1.25	0.64	1.54
Allantoin	ME117785	0.93	0.79	1.19	0.50	1.59
Methyl 1-(1-propenylthio)propyl disulfide_2	ME117949	0.83	0.78	1.29	0.42	1.68
4-Hydroxyproline	ME117765	1.21	0.70	1.21	0.42	1.47
6-Keto-prostaglandin F1a	ME117776	1.16	0.63	0.97	0.69	1.56
Iminoaspartic acid_1	ME117911	0.75	0.77	1.10	1.06	1.32
Galactonic acid	ME117878	0.85	0.56	1.04	1.12	1.42
Iodotyrosine	ME117916	0.83	0.61	1.18	0.96	1.42
Isovitexin 2^^-O-glucoside	ME117922	0.89	0.63	0.82	1.12	1.54
Sulfamethoxazole_3	ME118024	1.02	0.48	0.77	1.34	1.39
L-Tyrosine	ME117938	1.23	0.51	1.37	0.77	1.13
Bromazepam	ME117807	1.15	0.64	1.22	0.84	1.15
N2-Succinyl-L-glutamic acid 5-semialdehyde	ME117961	1.08	0.70	1.10	0.85	1.29
Citramalic acid	ME117822	1.02	1.12	0.86	0.74	1.27
Dodecanedioic acid_1	ME117858	0.95	0.94	1.02	0.78	1.30
Bromomethane	ME117809	1.19	1.07	1.16	0.68	0.91
Sulfurous acid	ME118028	1.20	1.05	1.14	0.69	0.92
2-Indolecarboxylic acid	ME117715	1.03	1.00	1.25	0.64	1.06
3-Hydroxycapric acid_3	ME117743	1.00	1.05	1.23	0.74	0.98
Sulfanilamide	ME118025	1.08	0.93	1.32	0.79	0.89
5-Ethynyl-5^-(1-propynyl)-2,2^-bithiophene	ME117772	1.00	0.89	1.35	0.79	0.98
cis-Aconitic acid	ME117821	1.07	0.89	1.34	0.74	0.96
Arginyl-Histidine	ME117798	1.01	0.96	1.17	0.91	0.96
N-Undecanoylglycine_1	ME117972	1.00	0.97	1.15	0.93	0.95
N-Decanoylglycine	ME117966	1.03	0.94	1.23	0.89	0.91
Undecanedioic acid	ME118044	1.06	0.89	1.20	0.89	0.96
1,11-Undecanedicarboxylic acid	ME117695	0.99	0.86	1.22	0.90	1.02
Azelaic acid	ME117801	0.95	0.88	1.30	0.85	1.00
3-Hydroxynonyl acetate_1	ME117747	1.14	0.92	1.08	0.82	1.04
Glutaconic acid_5	ME117892	1.12	0.84	1.25	0.82	0.96
Creatine	ME117827	1.22	0.79	1.21	0.83	0.95
(S)-Isowillardiine	ME117692	1.19	0.84	1.21	0.88	0.88
Daucic acid_2	ME117838	0.97	1.06	1.32	0.90	0.74
5-Methylthioribose 1-phosphate_1	ME117773	1.04	0.95	1.32	0.89	0.80
Citric acid	ME117823	1.07	0.97	1.25	0.95	0.76
L-Glutamine	ME117930	1.22	0.98	1.26	0.78	0.76
L-Cystine	ME117927	1.23	0.84	1.35	0.83	0.75
Riluzole	ME118009	1.19	0.86	1.30	0.89	0.77
Methimazole	ME117945	1.27	1.07	0.90	1.01	0.76
Pyroglutamic acid_1	ME118002	1.30	0.98	0.90	1.04	0.79
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)_1	ME117955	1.21	0.93	1.02	1.01	0.84
Beta-Citryl-L-glutamic acid	ME117805	1.12	1.04	1.08	0.99	0.77
dADP	ME117836	1.16	0.97	1.09	1.03	0.75
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide_3	ME117739	1.04	1.17	0.93	1.03	0.84
Ecabet_2	ME117863	0.89	1.24	0.81	1.16	0.89
Hypoxanthine_1	ME117906	0.92	1.13	1.18	0.87	0.89
Sulfaphenazole	ME118026	0.97	1.10	1.06	0.81	1.07
Ammonium peroxydisulfate	ME117791	0.81	0.89	1.17	1.23	0.90
3-Hydroxyisoheptanoic acid_2	ME117746	0.80	1.08	1.05	1.08	0.99
cis-2-Methylaconitate	ME117819	0.87	1.00	1.00	1.18	0.95
Iminoaspartic acid_2	ME117912	0.87	0.90	1.13	1.10	1.00
5-Chloro-6-methoxy-2(3H)-benzoxazolone	ME117771	0.97	0.97	1.04	1.10	0.92
Curcumin II	ME117829	0.97	0.89	1.10	1.17	0.88
Arabinonic acid	ME117795	1.07	1.07	0.83	0.95	1.08
L-Malic acid	ME117936	1.16	0.91	0.90	1.06	0.97
PC-M6	ME117983	1.14	1.01	0.91	1.00	0.94
4-Hydroxybenzoic acid_2	ME117762	1.21	1.00	0.96	0.92	0.91
N-Heptanoylglycine	ME117968	1.18	0.96	0.96	0.94	0.96
Gravelliferone	ME117895	0.97	0.94	0.95	1.12	1.02
Isoacitretin_2	ME117918	0.98	1.00	0.91	1.09	1.02
7-Hydroxyoctanoic acid_3	ME117779	1.06	0.92	0.86	1.18	0.98
3-Dechloroethylifosfamide_3	ME117731	1.08	1.00	0.87	1.16	0.89
Dimethyl tetrasulfide	ME117855	1.00	1.01	0.89	1.15	0.96
Phosphoric acid	ME117991	1.01	1.00	0.88	1.15	0.95
Propyl 1-(propylsulfinyl)propyl disulfide	ME117996	0.92	1.14	0.94	0.98	1.01
Benzoic acid	ME117803	0.91	1.03	1.13	0.97	0.96
MG(0:0/15:0/0:0)_2	ME117954	0.91	1.03	1.05	0.99	1.02
Perfluorooctanoic acid_2	ME117987	0.92	1.05	1.05	0.91	1.06
3-Hydroxynonyl acetate_2	ME117748	1.08	0.91	1.04	1.04	0.93
Isoacitretin_1	ME117917	1.10	1.01	1.07	0.90	0.92
3-Hydroxyisoheptanoic acid_1	ME117745	1.04	1.04	1.04	0.94	0.95
N-Undecanoylglycine_2	ME117973	1.07	1.02	1.00	0.95	0.95
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide_1	ME117737	1.06	0.93	0.98	0.97	1.06
Humulinic acid A	ME117905	1.05	0.94	0.96	0.99	1.07
Lipoyllysine	ME117931	1.05	0.94	0.94	0.99	1.08
Sebacic acid	ME118014	1.03	0.94	1.02	0.94	1.08
Traumatic acid	ME118043	1.00	0.95	1.04	0.95	1.06
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol	ME117727	1.00	0.99	1.02	0.90	1.09
7-Hydroxyoctanoic acid_1	ME117777	1.02	1.02	1.01	0.88	1.07
7-Hydroxyoctanoic acid_2	ME117778	1.03	1.04	1.00	0.90	1.02
Cadmium	ME117811	1.01	1.01	1.00	0.95	1.03
Chloral hydrate	ME117816	1.02	1.01	1.00	0.95	1.02
Laccarin	ME117925	0.98	1.07	0.98	0.97	1.00
3-Hydroxycapric acid_2	ME117742	0.97	0.97	0.99	1.04	1.04
Methyl (9Z)-10^-oxo-6,10^-diapo-6-carotenoate	ME117947	0.99	0.96	0.98	1.06	1.01
Gingerol_3	ME117886	1.03	1.03	0.99	0.97	0.98
cyclic GMP-AMP	ME117831	1.03	1.01	0.97	0.99	0.99
Miglitol	ME117958	1.05	0.99	0.96	0.99	1.01
Sarmentosin	ME118013	1.03	0.99	0.97	1.00	1.01
Angelicin_1	ME117792	1.07	1.01	0.96	0.98	0.97
3-Hydroxycapric acid_1	ME117741	1.06	1.00	0.99	0.98	0.97
9,12,13-TriHOME_2	ME117783	1.05	0.99	0.99	0.98	0.99
Canrenone	ME117813	0.99	1.01	0.97	1.04	0.99
Oltipraz	ME117976	1.02	1.00	0.96	1.06	0.96
2-Oxo-3-hydroxy-4-phosphobutanoic acid	ME117724	1.06	1.01	0.96	1.01	0.95
Decanoylcarnitine	ME117839	1.04	1.01	0.97	1.01	0.96
Creatine-D3	ME117828	1.04	1.00	0.96	1.02	0.98
D-Glyceraldehyde 3-phosphate	ME117846	1.05	1.00	0.96	1.04	0.96
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	ME117736	1.01	0.99	0.99	1.04	0.97
Urolithin B	ME118049	1.03	0.99	0.99	1.01	0.98
1,4-Ipomeadiol	ME117698	1.04	0.96	1.04	0.97	0.99
Remoxipride	ME118005	1.03	0.97	1.03	1.00	0.98
O-Phospho-4-hydroxy-L-threonine	ME117978	1.00	1.01	1.02	1.01	0.95
3-Dechloroethylifosfamide_1	ME117729	0.98	0.99	1.00	1.03	1.00
3-Hydroxyanthranilic acid	ME117740	0.97	1.00	1.02	1.03	0.98
P-Dichlorobenzene	ME117985	0.97	0.98	1.03	1.02	0.99
(�)-3-Hydroxynonanoic acid_1	ME117687	0.97	1.02	0.99	0.99	1.02
Dodecanedioic acid_2	ME117859	1.01	1.01	0.99	0.97	1.01
9,12,13-TriHOME_1	ME117782	1.02	1.01	0.98	0.99	1.01
Gingerol_2	ME117885	1.01	1.00	0.99	0.99	1.01
Imiquimod	ME117913	1.00	0.99	1.02	0.98	1.01
Perfluorooctanoic acid_1	ME117986	1.00	1.00	1.00	0.98	1.01
Dacarbazine_1	ME117834	0.99	1.00	1.00	1.00	1.02
Metyrosine	ME117951	0.99	1.00	1.00	0.99	1.01
Deoxyribose 5-phosphate	ME117843	1.01	1.01	1.00	0.99	0.99
Ribothymidine_1	ME118007	1.01	1.01	1.01	0.98	1.00
Alpha-CEHC	ME117786	1.02	1.00	1.00	0.99	1.00
Topaquinone_1	ME118038	1.01	1.00	1.00	0.98	1.00
Brompheniramine	ME117810	1.00	1.01	1.02	0.98	0.98
Secoisolariciresinol_1	ME118015	1.00	1.01	1.01	1.00	0.99
3-Methoxybenzenepropanoic acid_1	ME117751	1.00	1.01	1.01	0.99	1.00
MG(0:0/15:0/0:0)_1	ME117953	1.00	1.01	1.02	0.99	0.99
Valerenic acid	ME118051	0.99	1.00	1.01	1.02	0.99
2^,5^-Dihydroxychalcone_2	ME117708	0.99	1.00	1.01	1.00	0.99
4-Nitrophenol	ME117767	0.99	1.00	1.02	1.01	0.99
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide_2	ME117738	1.00	1.01	1.00	1.00	1.00
2-Furoylglycine	ME117712	1.00	1.00	1.00	1.00	1.00
Gingerol_1	ME117884	1.00	1.00	1.00	1.00	1.00
Mevalonic acid-5P	ME117952	1.01	0.99	1.00	1.00	1.00
1-Naphthaleneacetic acid_1	ME117701	1.01	1.00	0.99	1.00	1.00
Cytokinin B	ME117833	1.01	1.00	0.99	1.00	1.00
3-Methoxybenzenepropanoic acid_2	ME117752	1.01	1.00	1.00	1.00	0.99
Desacetyl-nitazoxanide	ME117844	1.01	1.00	1.00	1.00	0.99
Tenofovir	ME118032	1.00	1.01	0.99	1.01	0.98
Capric acid	ME117814	1.00	1.00	0.99	1.01	1.00
Rishitin	ME118010	1.00	1.00	0.99	1.01	0.99
Bromobenzene-2,3-dihydrodiol	ME117808	1.00	1.01	1.00	1.01	0.99
N-(p-Hydroxyphenethyl)actinidine	ME117960	0.99	1.00	1.00	1.01	0.99
(�)-3-Hydroxynonanoic acid_2	ME117688	0.99	0.97	1.01	0.99	1.03
2^,5^-Dihydroxychalcone_1	ME117707	1.01	0.96	1.00	1.02	1.01
Secoisolariciresinol_2	ME118016	1.02	0.98	1.00	1.00	1.01
Ammonium lactate	ME117790	1.00	0.77	1.16	1.29	0.78
Ecabet_1	ME117862	1.01	0.77	1.01	1.20	1.01
Hypoxanthine_2	ME117907	0.96	0.74	1.07	1.25	0.98
Isosakuranin	ME117920	0.94	0.86	0.95	1.15	1.10
Isosyringinoside	ME117921	0.86	0.78	1.06	1.17	1.14
3-Hydroxydodecanoic acid	ME117744	1.32	0.81	0.72	0.96	1.20
Diclofenac	ME117848	1.32	0.84	0.69	0.93	1.22
Daucic acid_1	ME117837	1.50	0.81	0.88	0.85	0.96
2-Chloromaleylacetate	ME117711	1.54	0.59	0.96	0.93	0.98
4-Hydroxy-2-oxoglutaric acid	ME117760	1.40	0.65	0.96	0.88	1.11
Palmitic acid	ME117982	1.10	0.79	1.02	0.98	1.12
Stearic acid	ME118020	1.08	0.82	1.02	1.03	1.04
3-Methyluric acid	ME117755	1.21	0.73	0.92	1.03	1.11
3-Methoxybenzenepropanoic acid_3	ME117753	1.30	0.85	0.95	0.93	0.97
Fumaric acid_1	ME117875	1.22	0.80	0.94	0.97	1.06
Fumaric acid_2	ME117876	1.30	0.80	0.90	0.96	1.03
1-(sn-Glycero-3-phospho)-1D-myo-inositol	ME117694	1.43	0.83	0.98	0.71	1.05
Epicatechin_1	ME117866	1.31	0.87	1.02	0.75	1.05
Uridine_1	ME118047	1.33	0.86	1.02	0.73	1.07
Glyceric acid	ME117893	1.43	0.79	1.03	0.84	0.91
Methylmalonic acid	ME117950	1.39	0.76	1.05	0.88	0.92
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	ME117735	1.31	0.83	1.11	0.82	0.93
Bentoquatam	ME117802	1.27	0.82	1.05	0.89	0.96
L-Lactic acid	ME117935	1.24	0.81	1.08	0.90	0.96
Phosphoramide mustard	ME117990	1.23	0.83	1.06	0.93	0.96
Zymonic acid	ME118059	1.24	0.84	1.05	0.91	0.96
2-Ketobutyric acid	ME117716	1.12	0.95	1.84	0.24	0.85
Citrulline	ME117824	1.24	0.92	1.68	0.49	0.68
p-Hydroxyphenylacetic acid_2	ME117994	0.87	0.94	1.28	1.03	0.88
Phthalic acid	ME117992	0.89	0.92	1.48	0.89	0.82
Quinolinic acid	ME118004	0.90	0.87	1.41	0.94	0.88
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene	ME117703	0.91	0.73	1.49	0.88	1.00
Liqcoumarin	ME117932	0.91	0.75	1.45	0.89	1.01
2-Methyl-3-ketovaleric acid_1	ME117718	0.96	0.66	1.51	0.94	0.92
2-Methyl-3-ketovaleric acid_2	ME117719	0.96	0.71	1.42	0.99	0.93
1-Naphthaleneacetic acid_2	ME117702	0.99	0.66	1.44	0.77	1.13
4-Hydroxybenzoic acid_1	ME117761	0.97	0.55	1.42	0.89	1.17
Clavulanate	ME117825	0.95	0.79	1.61	0.88	0.76
Alpha-ketoisovaleric acid	ME117788	1.09	0.61	1.56	0.78	0.96
3-Dehydroquinate	ME117732	1.08	0.71	1.57	0.77	0.87
Glutaconic acid_2	ME117889	1.06	0.73	1.53	0.77	0.90
2-Methylcitric acid	ME117723	0.93	0.86	1.50	0.73	0.99
Succinic anhydride	ME118021	0.95	0.81	1.54	0.68	1.03
Imidazole acetol-phosphate_2	ME117910	1.02	0.84	1.48	0.74	0.92
Taurine	ME118029	1.03	0.93	1.46	0.68	0.90
Vanillylmandelic acid_1	ME118053	0.91	0.53	1.72	0.95	0.88
Vanillylmandelic acid_2	ME118054	0.97	0.56	1.57	1.06	0.84
Kinetin	ME117924	0.94	0.57	1.77	0.76	0.96
L-Dopa	ME117928	0.91	0.55	1.84	0.75	0.95
Sertraline_1	ME118017	0.90	0.54	1.95	0.70	0.90
Dopamine	ME117860	0.85	0.49	1.97	0.77	0.92
L-Kynurenine	ME117934	0.84	0.50	1.97	0.70	0.98
Pyroglutamic acid_2	ME118003	0.88	0.76	1.70	0.70	0.96
Decitabine	ME117840	0.76	0.67	1.83	0.81	0.93
Galactitol	ME117877	0.78	0.68	1.76	0.85	0.93
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)_2	ME117956	1.21	1.33	0.62	0.49	1.34
Sertraline_2	ME118018	0.85	1.76	0.88	0.61	0.91
Glutaconic acid_3	ME117890	0.52	1.24	1.39	0.71	1.14
Glutaconic acid_4	ME117891	0.65	1.47	1.11	0.66	1.11
N-Glycolylneuraminic acid	ME117967	0.73	1.37	0.87	1.33	0.75
Gingerol_4	ME117887	0.85	0.96	0.63	1.40	1.17
alpha-Fluoro-beta-alanine	ME117787	1.04	0.76	0.60	1.70	0.91
Zeranol	ME118058	0.89	0.85	0.68	1.81	0.78
Ophthalmic acid	ME117979	0.56	0.90	0.52	1.40	1.63
Aprobarbital	ME117794	0.65	1.51	0.35	1.26	1.23
Diethylphosphate	ME117850	0.55	1.65	0.18	1.40	1.22
1,3,4-Trigalloyl-beta-D-glucopyranose	ME117696	0.00	0.43	6.51	0.01	0.02
Sulfamethoxazole_2	ME118023	0.32	0.46	4.52	0.32	0.18
Homovanillic acid	ME117902	0.05	0.04	4.81	0.05	0.04
4-Hydroxyphenylpyruvic acid	ME117764	0.05	0.07	4.75	0.05	0.08
Vanillylmandelic acid_3	ME118055	0.05	0.05	4.77	0.05	0.08
Diethylthiophosphate	ME117851	0.00	0.00	4.99	0.00	0.00
Topaquinone_3	ME118040	0.00	0.00	4.98	0.01	0.00
3,4,5-Trimethoxyphenyl acetate	ME117726	0.02	0.02	4.93	0.02	0.01
Genipinic acid	ME117881	0.03	0.01	4.93	0.02	0.00
5-Methylthioribose 1-phosphate_2	ME117774	0.03	0.03	4.89	0.03	0.03
Vanillactic acid	ME118052	0.03	0.01	4.89	0.02	0.04
Pyridoxal	ME118000	0.20	0.19	4.23	0.18	0.19
Homoveratric acid_2	ME117904	0.02	0.06	4.65	0.24	0.04
Dillapional	ME117854	0.02	0.04	4.42	0.02	0.02
4-Methoxycinnamic acid	ME117766	0.10	0.11	4.60	0.12	0.07
4^,5-Dihydroxy-7-methoxy-6-methylflavone_2	ME117757	0.13	0.13	4.51	0.10	0.12
Dipropyl trisulfide	ME117857	0.14	0.11	4.51	0.10	0.14
Arachidonic acid	ME117796	0.94	0.14	3.95	0.14	0.31
O-Demethylfonsecin	ME117974	0.25	0.66	3.66	0.46	0.21
2-Hydroxyethanesulfonate	ME117714	0.42	0.68	3.31	0.29	0.17
5-Acetylamino-6-amino-3-methyluracil	ME117769	0.25	0.33	3.39	0.30	0.13
1,3,7-Trimethyluric acid	ME117697	0.44	0.23	3.22	0.36	0.75
Droxidopa	ME117861	0.51	0.30	3.57	0.44	0.61
Gentisic acid_1	ME117882	0.53	0.20	3.55	0.23	0.49
Ascorbic acid_2	ME117800	0.25	0.50	3.48	0.27	0.50
Diethylcarbamazine N-oxide	ME117849	0.39	0.60	3.65	0.44	0.58
Cyanidin-3-galactoside	ME117830	0.42	0.45	3.33	0.85	0.48
Oxoglutaric acid	ME117981	0.30	0.29	3.32	0.61	0.48
Arecoline	ME117797	0.29	0.22	3.82	0.75	0.35
Norepinephrine_1	ME117969	0.30	0.30	3.58	0.57	0.25
Ribitol	ME118006	0.50	0.20	3.65	0.62	0.21
Bretylium	ME117806	0.00	0.00	3.32	0.00	0.00
Chorismate	ME117818	0.01	0.01	3.22	0.01	0.01
Homolanthionine_1	ME117900	0.01	0.01	3.80	0.01	0.01
4^,5-Dihydroxy-7-methoxy-6-methylflavone_1	ME117756	NA	0.00	3.99	0.00	NA
Hamamelitannin_2	ME117897	NA	0.04	3.91	NA	0.01
Ellagic acid	ME117864	0.04	0.39	3.98	0.19	0.39
Homogentisic acid	ME117899	0.24	0.30	3.94	0.22	0.31
(R)-2-Benzylsuccinate	ME117691	0.32	0.39	3.81	0.25	0.23

Factors:

F1	Main factor (1 to 5):-
F2	Main factor (1 to 5):1
F3	Main factor (1 to 5):2
F4	Main factor (1 to 5):3
F5	Main factor (1 to 5):5

Data matrix