Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for TC and B6 untreated plasma in lupus-prone mice (Study ST000311)

POSITIVE ION MODE (Analysis AN000496)

Metabolite	Structure	F1	F2
Biotin sulfoxide	ME112610	2.62	0.19
2-Hydroxyethylphosphonate	ME112440	0.30	2.40
Prostaglandin H2_2	ME112937	0.20	2.12
Virol B	ME113030	0.26	2.18
Leukotriene A4_2	ME112774	0.19	1.97
L-Olivosyl-oleandolide_2	ME112800	0.10	2.02
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3	ME112458	0.26	1.46
Retinoate_5	ME112955	0.22	1.47
gamma-L-Glutamyl-D-alanine	ME112715	0.32	1.38
Alantolactone_1	ME112557	0.29	1.39
Sannamycin A_1	ME112960	0.28	1.41
D-Lysopine_2	ME112685	0.37	1.42
Dimepiperate_2	ME112678	0.33	1.45
Promegestone_2	ME112933	0.32	1.45
Leukotriene A4_1	ME112773	0.55	1.60
Mansonone C	ME112823	0.50	1.60
Ketoprofen	ME112756	0.48	1.52
Indole_3	ME112739	0.46	1.48
Deazaflavin	ME112656	0.46	1.48
Glycyl-leucine_2	ME112723	0.46	1.48
Agroclavine_2	ME112556	0.46	1.47
Nona-2,6-dienal_1	ME112886	0.47	1.47
Linoleate_3	ME112787	0.47	1.47
Apigenin	ME112582	0.47	1.47
Cryptopleurine	ME112645	0.47	1.47
Metipranolol_1	ME112837	0.48	1.47
4-Amino-2-hydroxylamino-6-nitrotoluene_2	ME112488	0.49	1.46
4-Guanidinobutanal_1	ME112497	0.48	1.46
N5-Phenyl-L-glutamine_2	ME112848	0.48	1.46
Difenpiramide_2	ME112673	0.49	1.44
beta-Carboline	ME112606	0.50	1.45
N(6)-[(Indol-3-yl)acetyl]-L-lysine	ME112841	0.49	1.45
O-Decanoyl-L-carnitine	ME112896	0.49	1.45
3,3^-Dimethylbisphenol A	ME112450	0.40	1.47
Urocanate_2	ME113027	0.45	1.49
Vulgaxanthin-I_1	ME113031	0.43	1.49
Dethiobiotin_1	ME112661	0.44	1.50
L-Methionine S-oxide_2	ME112795	0.43	1.50
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3	ME112372	0.35	1.50
alpha-Ionone_2	ME112567	0.32	1.53
Agroclavine_1	ME112555	0.42	1.58
3-O-alpha-Mycarosylerythronolide B	ME112478	0.44	1.56
Toxyl angelate_2	ME113007	0.43	1.57
Nona-2,6-dienal_2	ME112887	0.41	1.52
Paederoside	ME112902	0.41	1.52
(9Z)-Hexadecenoic acid_2	ME112378	0.40	1.53
Latia luciferin	ME112766	0.40	1.53
L-Palmitoylcarnitine	ME112804	0.41	1.53
N-Acetylornithine_2	ME112868	0.41	1.53
Urocanate_4	ME113029	0.40	1.54
2-Methylaminoadenosine_1	ME112442	0.39	1.53
Arginine	ME112585	0.39	1.54
Schizandrin C	ME112962	0.36	1.57
Urocanate_1	ME113026	0.36	1.57
Serotonin	ME112964	0.38	1.55
(6Z,9Z,12Z)-Octadecatrienoic acid_2	ME112375	0.38	1.55
alpha-Ionone_3	ME112568	0.38	1.55
(9Z)-Octadecenoic acid	ME112381	0.37	1.56
Indole-3-acetaldehyde_1	ME112741	0.37	1.56
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1	ME112370	0.25	1.59
Wyerone	ME113033	0.27	1.55
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1	ME112368	0.24	1.68
Bufadienolide_2	ME112617	0.24	1.68
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_4	ME112373	0.28	1.64
Nitrilacarb	ME112882	0.28	1.64
(8Z,11Z,14Z)-Icosatrienoic acid	ME112376	0.26	1.65
Arnebinol	ME112586	0.26	1.65
Abacavir	ME112551	0.27	1.65
Beclomethasone	ME112594	0.27	1.65
Methohexital	ME112828	0.26	1.66
Sphingosine_1	ME112970	0.25	1.66
Anthopleurine	ME112580	0.36	1.64
Pimelate	ME112923	0.36	1.64
Retinoate_4	ME112954	0.37	1.63
Zearalenone	ME113036	0.37	1.63
5alpha-Androstan-17beta-ol propionate	ME112522	0.31	1.61
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	ME112716	0.31	1.61
5-L-Glutamyl-taurine	ME112533	0.29	1.63
Linoleate_2	ME112786	0.30	1.62
4-Dodecylphenol_1	ME112493	0.30	1.62
Linoleate_1	ME112785	0.30	1.62
Abietate_1	ME112552	0.33	1.60
D-Octopine	ME112687	0.33	1.59
Calystegin B2	ME112627	0.34	1.59
Glycyl-leucine_3	ME112724	0.35	1.58
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1	ME112986	0.34	1.58
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2	ME112987	0.34	1.58
(+)-Bornane-2,5-dione_2	ME112363	0.33	1.76
Retinoate_2	ME112952	0.46	1.75
Benz[a]acridine_2	ME112597	0.04	1.48
Felbamate	ME112701	0.06	1.52
Glycocholate_2	ME112721	0.08	1.53
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1	ME112456	0.17	1.55
Himbacine	ME112731	0.17	1.55
Biochanin A	ME112608	0.13	1.58
GV 150013X	ME112726	0.15	1.61
Pregnenolone acetate_2	ME112928	0.06	1.63
Glycocholate_1	ME112720	0.02	1.73
Taurodeoxycholate_1	ME112984	0.03	1.73
3-Dehydroecdysone_1	ME112463	0.04	1.69
Dimethisterone	ME112679	0.04	1.68
Taurodeoxycholate_2	ME112985	0.05	1.68
Abietate_2	ME112553	0.15	1.75
Oblongolide_1	ME112890	0.16	1.75
Proclavaminic acid	ME112930	0.16	1.75
Taurine_2	ME112981	0.18	1.71
Bakkenolide A_1	ME112591	0.20	1.71
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	ME112467	0.19	1.72
Myriocin	ME112839	0.19	1.72
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_3	ME112422	0.13	1.68
3-tert-Butyl-5-methylcatechol_2	ME112483	0.12	1.68
(S)-ATPA_1	ME112389	0.19	1.63
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1	ME112412	0.17	1.64
(+)-Bornane-2,5-dione_3	ME112364	0.16	1.65
Mebenil	ME112824	0.13	1.87
L-Olivosyl-oleandolide_1	ME112799	0.11	1.89
Taurocholate_2	ME112983	0.11	1.89
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	ME112466	0.09	1.80
Lythramine_2	ME112818	0.11	1.79
Fusicoccin H	ME112712	0.09	1.78
L-Olivosyl-oleandolide_3	ME112801	0.10	1.78
10-Desacetyltaxuyunnanin C	ME112396	0.12	1.75
Bufadienolide_1	ME112616	0.13	1.77
Arachidonate_1	ME112583	0.12	1.78
Lythramine_1	ME112817	0.13	1.78
Taurocholate_1	ME112982	0.13	1.78
3-Ketosphingosine	ME112471	0.05	1.85
6,8-Dimethyl-6,7-didehydroergoline_1	ME112544	0.08	1.82
Fexaramine	ME112706	0.06	1.80
Lovastatin	ME112803	NA	1.00
Lemobiline	ME112772	NA	1.00
Debromoaplysiatoxin	ME112657	NA	1.00
Buprenorphine_2	ME112619	NA	1.00
Benz[a]acridine_3	ME112598	NA	1.00
Bentazone-sodium	ME112595	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2	ME112457	NA	1.00
3-Dehydroecdysone_2	ME112464	NA	1.00
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2	ME112371	0.03	1.14
gamma-Glutamyl-gamma-aminobutyraldehyde	ME112714	0.06	1.10
Diosgenin_1	ME112682	0.11	1.38
Epothilone C	ME112693	0.07	1.40
Rehmaionoside C	ME112949	0.09	1.40
Cilastatin	ME112630	0.20	1.36
Diosgenin_2	ME112683	0.11	1.25
Benzyl nicotinate	ME112605	0.14	1.29
Hoechst 33342	ME112734	0.18	1.31
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2	ME112421	0.35	1.29
Retinal	ME112950	0.37	1.21
6,8-Dimethyl-6,7-didehydroergoline_2	ME112545	0.29	1.10
Sannamycin A_2	ME112961	0.20	1.09
Retinoate_3	ME112953	0.73	1.43
N-Monomethyl-2-aminoethylphosphonate	ME112885	0.48	1.35
Butabarbital_3	ME112623	0.57	1.43
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	ME112401	0.53	1.42
alpha-Santonin	ME112573	0.52	1.42
1,8-Dinitropyrene_1	ME112394	0.52	1.42
(6Z,9Z,12Z)-Octadecatrienoic acid_1	ME112374	0.52	1.42
4-Hydroxy-4-methylglutamate	ME112502	0.52	1.43
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate	ME112411	0.51	1.43
Nona-2,6-dienal_3	ME112888	0.51	1.43
2-Methylaminoadenosine_2	ME112443	0.53	1.41
6,8-Dimethyl-6,7,8,9-tetradehydroergoline	ME112543	0.54	1.41
4-Hydroxy-3-nitrosobenzamide	ME112501	0.55	1.40
Fludrocortisone acetate	ME112708	0.54	1.40
alpha-Ergocryptine	ME112563	0.54	1.36
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME112397	0.61	1.35
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME112877	0.60	1.35
Alantolactone_2	ME112558	0.60	1.35
N1-Methyl-2-pyridone-5-carboxamide_2	ME112846	0.60	1.35
1-Palmitoylglycerophosphocholine	ME112405	0.60	1.36
2,3,5-Trihydroxytoluene	ME112414	0.59	1.36
Toxyl angelate_1	ME113006	0.57	1.39
Albafuran A	ME112559	0.56	1.39
Prostaglandin B1	ME112935	0.56	1.39
Butabarbital_1	ME112621	0.57	1.38
L-Threonine_1	ME112811	0.57	1.38
4-Dodecylphenol_2	ME112494	0.58	1.38
5-Hydroxy-L-tryptophan_1	ME112529	0.58	1.38
Timolol	ME113002	0.58	1.37
Methyleugenol_2	ME112834	0.58	1.37
Phthalate	ME112920	0.58	1.37
Aspartame_2	ME112590	0.58	1.12
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2	ME112413	0.63	1.21
Buprenorphine_3	ME112620	0.65	1.23
D-Ribitol 5-phosphate	ME112691	0.69	1.28
Methyl methanesulfonate	ME112832	0.68	1.28
L-2-Aminoadipate_1	ME112758	0.68	1.28
9,12,13-TriHOME_2	ME112550	0.68	1.28
Inulicin	ME112748	0.68	1.28
Nicotianamine	ME112879	0.67	1.29
Fexofenadine	ME112707	0.68	1.29
L-Serine_1	ME112809	0.68	1.29
N-(3,4-Dichlorophenyl)-malonamate	ME112840	0.72	1.25
Streptobiosamine	ME112974	0.72	1.25
Heteropyrithiamine	ME112728	0.71	1.26
1,8-Dinitropyrene_2	ME112395	0.71	1.25
Pyrene-4,5-dione	ME112940	0.71	1.25
Riboflavin	ME112957	0.70	1.26
Pulcherriminic acid	ME112939	0.70	1.26
Diethyl sulfate	ME112668	0.70	1.26
Benzoyl phosphate	ME112603	0.70	1.26
Bixin	ME112612	0.70	1.26
Imazaquin	ME112736	0.70	1.27
Otonecine_3	ME112901	0.69	1.27
N-Methylpelletierine	ME112884	0.69	1.27
alpha-Ribazole	ME112572	0.69	1.27
L-Lysine	ME112792	0.69	1.27
Xylobiose	ME113035	0.59	1.30
Trp-P-1_1	ME113013	0.66	1.30
Dodemorph	ME112689	0.66	1.30
L-Ornithine	ME112802	0.66	1.30
Prostaglandin H2_1	ME112936	0.65	1.31
Diacetylaminoazotoluene	ME112666	0.65	1.31
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1	ME112420	0.65	1.31
Allantoate	ME112560	0.65	1.31
Karwinaphthol B	ME112755	0.66	1.31
Metipranolol_2	ME112838	0.66	1.31
9,12,13-TriHOME_1	ME112549	0.62	1.34
Gymnodimine	ME112727	0.62	1.34
Sphingosine_2	ME112971	0.64	1.32
Methyl acetyl ricinoleate	ME112831	0.64	1.32
4-Amino-2-hydroxylamino-6-nitrotoluene_1	ME112487	0.64	1.32
5-Sulfosalicylate_2	ME112539	0.64	1.32
THTC	ME112998	0.63	1.33
Retinoate_1	ME112951	0.63	1.33
Betamethasone	ME112607	0.63	1.33
Fenoprofen	ME112702	0.63	1.33
Nordazepam	ME112889	0.72	1.14
Corticosterone_2	ME112638	0.77	1.17
S-Methyl-L-methionine	ME112965	0.79	1.18
N-Amidino-L-glutamate_1	ME112869	0.78	1.19
Tremetone	ME113011	0.79	1.19
Otonecine_2	ME112900	0.79	1.19
Botrydial_1	ME112613	0.79	1.19
3-Sulfocatechol	ME112479	0.79	1.19
2-Ethylhexyl phthalate_4	ME112436	0.79	1.19
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME112404	0.79	1.19
2,3,6-Trihydroxypyridine	ME112415	0.79	1.19
L-Citrulline_2	ME112769	0.81	1.17
N-Acetyl-L-leucine_6	ME112863	0.81	1.17
Pseudopelletierine	ME112938	0.80	1.18
2-Oxoglutaramate	ME112446	0.80	1.18
Indole-3-acetaldehyde_2	ME112742	0.80	1.18
Terbufos	ME112989	0.80	1.17
Fagomine_1	ME112699	0.80	1.17
L-Asparagine_2	ME112764	0.80	1.17
(S)-Malate	ME112391	0.73	1.24
Peganine_2	ME112908	0.73	1.24
L-Threonine_2	ME112812	0.73	1.24
Dienestrol	ME112667	0.73	1.24
5-Hydroxy-L-tryptophan_2	ME112530	0.73	1.24
Buprenorphine_1	ME112618	0.73	1.24
5-Hydroxy-L-tryptophan_3	ME112531	0.75	1.23
THTA	ME112997	0.74	1.23
Oblongolide_2	ME112891	0.74	1.23
Bakkenolide A_2	ME112592	0.74	1.23
(9Z)-Hexadecenoic acid_4	ME112380	0.74	1.23
(9Z)-Hexadecenoic acid_1	ME112377	0.74	1.23
3-Chloro-D-alanine_1	ME112460	0.74	1.23
5-N-Methyloxaluric acid	ME112536	0.74	1.23
Ipazine	ME112749	0.78	1.22
Sphingosine 1-phosphate	ME112972	0.79	1.21
Terpendole K	ME112992	0.76	1.19
4-Phenethylphenol_2	ME112511	0.78	1.20
1-Phenylethylamine	ME112406	0.77	1.21
N6-(delta2-Isopentenyl)-adenine_1	ME112849	0.77	1.21
4-Oxoproline_2	ME112509	0.77	1.20
5-Methylthiopentanaldoxime	ME112534	0.77	1.20
L-Octanoylcarnitine_1	ME112797	0.76	1.21
Indole-3-acetate_2	ME112744	0.76	1.21
Glutamine	ME112717	0.76	1.21
5-Nitro-ortho-anisidine	ME112535	0.76	1.21
Arachidonate_2	ME112584	0.76	1.21
4-Hydroxybutanoic acid_1	ME112503	0.76	1.22
4-Oxoproline_1	ME112508	0.75	1.22
alpha-Ionone_1	ME112566	0.75	1.22
2-Chloro-cis,cis-muconate	ME112432	0.98	1.01
Uridine_1	ME113024	0.99	1.01
Tolmetin	ME113003	0.99	1.01
Phenylethyl alcohol_2	ME112918	0.99	1.01
Phenmetrazine	ME112913	0.99	1.01
N,N^-Diethylthiourea	ME112843	0.99	1.01
L-Methionine S-oxide_3	ME112796	0.99	1.01
Isoquinoline_1	ME112750	0.99	1.01
Creatine	ME112641	0.99	1.01
Butabarbital_2	ME112622	0.99	1.01
Angelicin	ME112578	0.99	1.01
2,5-Dichloro-4-oxohex-2-enedioate	ME112424	0.99	1.01
3-Chloro-D-alanine_2	ME112461	0.99	1.01
Dodecanamide	ME112688	1.01	1.00
Zinnimidine_1	ME113039	1.00	1.00
Uracil_3	ME113022	1.00	1.00
Tussilagine	ME113015	1.00	1.00
Rhodanine	ME112956	1.00	1.00
Phensuximide_2	ME112915	1.00	1.00
N-Dimethyl-2-aminoethylphosphonate_1	ME112874	1.00	1.00
Linoleate_4	ME112788	1.00	1.00
Lichenin_1	ME112781	1.00	1.00
Glutarate_2	ME112719	1.00	1.00
Glutarate_1	ME112718	1.00	1.00
Dihydro-4,4-dimethyl-2,3-furandione_3	ME112676	1.00	1.00
D-Galactose 6-sulfate	ME112663	1.00	1.00
Dethiobiotin_2	ME112662	1.00	1.00
Cinnamaldehyde_3	ME112633	1.00	1.00
3-Methyleneoxindole_1	ME112473	1.00	1.00
3-Methyl-2-oxobutanoic acid	ME112472	1.00	1.00
3,4-Methylenedioxymethamphetamine_2	ME112455	1.00	1.00
2-Furoate	ME112437	1.00	1.00
11H-Benz[bc]aceanthrylene	ME112398	1.00	1.00
2,3-Dimethylmaleate	ME112416	1.00	1.00
Succinic anhydride_1	ME112977	0.99	1.00
3-Hydroxyanthranilate_1	ME112468	0.99	1.00
4-Hydroxyphenylacetate	ME112505	0.99	1.00
Pyrimethanil	ME112947	0.96	1.03
2,2^,3-Trihydroxybiphenyl	ME112410	0.96	1.03
L-Serine_2	ME112810	0.96	1.03
Trp-P-1_2	ME113014	0.97	1.03
Pyridoxal_2	ME112942	0.97	1.03
Promegestone_1	ME112932	0.97	1.03
Oblongolide_3	ME112892	0.97	1.03
N-Hydroxy-L-valine	ME112878	0.97	1.03
Cyclohexylsulfamate	ME112651	0.97	1.03
Cyclohexane-1,3-dione_2	ME112649	0.97	1.03
5-Acetamidopentanoate_3	ME112521	0.97	1.03
4-Guanidinobutanoate_2	ME112500	0.97	1.03
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol	ME112418	0.97	1.03
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	ME112459	0.97	1.03
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3	ME112988	0.98	1.02
Pyridoxal_1	ME112941	0.98	1.02
Phendimetrazine_2	ME112912	0.98	1.02
Lycodine	ME112816	0.98	1.02
L-Leucine_2	ME112791	0.98	1.02
Indoleamine	ME112745	0.98	1.02
Bakkenolide A_3	ME112593	0.98	1.02
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2	ME112369	0.98	1.02
2-Thiophenesulfonamide	ME112448	0.98	1.02
2-Ethylhexyl phthalate_3	ME112435	0.98	1.02
2-Hydroxymethylclavam	ME112441	0.98	1.02
Tetralin_2	ME112995	0.97	1.02
Pentachloroethane	ME112909	0.97	1.02
Benzimidazole	ME112599	0.97	1.02
Homostachydrine	ME112735	0.97	1.02
3-(2-Hydroxyphenyl)propanoate	ME112449	1.04	0.97
5-Sulfosalicylate_1	ME112538	1.04	0.96
N6-(delta2-Isopentenyl)-adenine_2	ME112850	1.04	0.96
(S)-ATPA_2	ME112390	1.05	0.95
Uracil_1	ME113020	1.05	0.96
Terbutaline_1	ME112990	1.05	0.96
Sodium chlorate	ME112966	1.05	0.96
alpha-Sinensal_1	ME112574	1.05	0.96
Aminoimidazole ribotide	ME112576	1.05	0.96
N-Acetyl-L-leucine_5	ME112862	1.06	0.95
Vulgaxanthin-I_2	ME113032	1.06	0.96
Thymine_2	ME113001	1.02	0.99
Mercury(2+)	ME112826	1.02	0.99
gamma-Coniceine	ME112713	1.02	0.99
Bis(chloromethyl) ether	ME112611	1.02	0.99
5-Hydroxyindoleacetate_2	ME112528	1.02	0.99
1,2,3-Trihydroxybenzene	ME112392	1.02	0.99
2-Aceto-2-hydroxybutanoate_2	ME112427	1.02	0.99
Taurine_1	ME112980	1.01	0.99
(S)-2-Hydroxypropylphosphonate	ME112388	1.01	0.99
(R)-2,3-Dihydroxypropane-1-sulfonate	ME112383	1.01	0.99
Pyridoxamine_1	ME112945	1.01	0.99
Phosphodimethylethanolamine	ME112919	1.01	0.99
N-Acetylmethionine	ME112866	1.01	0.99
Ethephon	ME112696	1.01	0.99
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2	ME112496	1.01	0.99
1-Methyladenosine	ME112403	1.01	0.99
2,4-DP	ME112423	1.01	0.99
3-Dehydroshikimate	ME112465	1.02	0.98
Deisopropyldeethylatrazine	ME112660	1.02	0.98
Zingerone	ME113038	1.03	0.97
Phytuberin_1	ME112921	1.03	0.97
L-Cysteate_2	ME112771	1.03	0.97
L-2-Aminoadipate_2	ME112759	1.03	0.97
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME112402	1.03	0.97
Furfural diethyl acetal_2	ME112710	1.03	0.97
Thymidine	ME112999	1.03	0.98
Hexadecasphinganine	ME112729	1.03	0.98
Cucurbic acid_1	ME112646	1.03	0.98
2,4,6-Trichloro-4^-biphenylol	ME112419	1.03	0.98
Calcidiol	ME112624	1.03	0.98
Sphinganine	ME112969	0.82	1.16
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2	ME112387	0.82	1.16
Dobutamine	ME112686	0.82	1.16
Cinnamaldehyde_1	ME112631	0.82	1.16
3,4-Dihydroxyphenylethyleneglycol_2	ME112452	0.82	1.16
Benzofuran	ME112601	0.82	1.16
Urocanate_3	ME113028	0.83	1.15
p-Benzoquinone_2	ME112906	0.83	1.15
N6-Methyl-L-lysine	ME112853	0.83	1.15
Hexylamine	ME112730	0.83	1.15
Ferimzone	ME112703	0.83	1.15
3-Hydroxy-L-glutamate	ME112470	0.83	1.15
7,8-Diaminononanoate	ME112546	0.83	1.15
Tyrosine	ME113018	0.87	1.12
Maculosin	ME112819	0.87	1.12
Mannitol	ME112822	0.87	1.12
N(pi)-Methyl-L-histidine	ME112842	0.86	1.13
Lichenin_2	ME112782	0.86	1.13
Diethylene glycol_2	ME112670	0.86	1.13
1,2,6-Hexanetriol	ME112393	0.86	1.13
alpha-Erythroidine	ME112564	0.86	1.13
Succinate_1	ME112975	0.86	1.12
O-Methylptelefolonium	ME112897	0.86	1.12
N-Cyclopropylammeline	ME112873	0.86	1.12
N6-Acetyl-N6-hydroxy-L-lysine	ME112851	0.86	1.12
Ethanolamine phosphate	ME112695	0.86	1.12
D-Lysopine_1	ME112684	0.86	1.12
Diethylpropion	ME112671	0.86	1.12
2-Amino-9H-pyrido[2,3-b]indole	ME112429	0.86	1.12
3-tert-Butyl-5-methylcatechol_1	ME112482	0.86	1.12
S-Allyl-L-cysteine	ME112959	0.84	1.14
p-Benzoquinone_1	ME112905	0.84	1.14
Glycyl-leucine_4	ME112725	0.84	1.14
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol	ME112565	0.84	1.14
Buclizine	ME112615	0.84	1.14
Otonecine_1	ME112899	0.85	1.13
3,4-Methylenedioxymethamphetamine_1	ME112454	0.85	1.13
Ammeline	ME112577	0.85	1.13
Glycyl-leucine_1	ME112722	0.85	1.14
Xanomeline	ME113034	0.85	1.14
Tolylacetonitrile	ME113005	0.93	1.06
Tetralin_1	ME112994	0.93	1.06
SR95531	ME112973	0.93	1.06
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_2	ME112385	0.93	1.06
N-Ethylglycocyamine	ME112876	0.93	1.06
N-Acetyl-D-tryptophan	ME112855	0.93	1.06
L-Leucine_1	ME112790	0.93	1.06
L-Homocysteic acid	ME112780	0.93	1.06
L-Aspartate 4-semialdehyde	ME112765	0.93	1.06
Furfural diethyl acetal_3	ME112711	0.93	1.06
Aspartame_1	ME112589	0.93	1.06
5-Aminolevulinate_1	ME112523	0.93	1.06
1-Aminocyclopropane-1-carboxylate	ME112400	0.93	1.06
5,6-Dihydrothymine_1	ME112516	0.93	1.06
Methomyl	ME112829	0.94	1.06
Isoquinoline_3	ME112752	0.94	1.06
L-Methionine	ME112793	0.94	1.06
L-Valine_1	ME112814	0.93	1.07
Furfural diethyl acetal_1	ME112709	0.92	1.08
Methyleugenol_1	ME112833	0.92	1.07
L-2,4-Diaminobutanoate	ME112757	0.92	1.07
(E)-4-(Trimethylammonio)but-2-enoate	ME112382	0.92	1.07
Dimepiperate_1	ME112677	0.92	1.07
D-Glucarate	ME112664	0.92	1.07
Dehydrospermidine	ME112659	0.92	1.07
Cyclohexane-1,3-dione_3	ME112650	0.92	1.07
Anthranilate	ME112581	0.92	1.07
3-Methylguanine_1	ME112476	0.92	1.07
2-Naphthylamine_1	ME112444	0.92	1.07
3,4-Dihydroxyphenylethyleneglycol_1	ME112451	0.92	1.07
N-Amidino-L-glutamate_2	ME112870	0.96	1.04
Isoquinoline_4	ME112753	0.96	1.04
Etodolac	ME112698	0.96	1.04
Aromatic aldehyde_1	ME112587	0.96	1.04
2-Aceto-2-hydroxybutanoate_1	ME112426	0.96	1.04
4-Phenethylphenol_1	ME112510	0.96	1.04
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	ME113008	0.95	1.04
Pantetheine	ME112903	0.95	1.04
L-Phenylalanine	ME112805	0.95	1.04
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1	ME112495	0.95	1.04
Indole_1	ME112737	0.95	1.04
trans-Cinnamate_2	ME113010	0.94	1.05
Octylamine	ME112895	0.94	1.05
epsilon-Caprolactam	ME112694	0.94	1.05
D-Ribose	ME112692	0.94	1.05
Difenpiramide_1	ME112672	0.94	1.05
4-Prenylresveratrol	ME112512	0.94	1.05
4-Acetamidobutanoate_2	ME112486	0.94	1.05
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	ME112484	0.94	1.05
Phensuximide_3	ME112916	0.95	1.05
N-Acetylornithine_1	ME112867	0.95	1.05
Magnoshinin	ME112820	0.95	1.05
Capillanol	ME112628	0.95	1.05
Histamine	ME112733	0.95	1.05
trans-Cinnamate_1	ME113009	0.91	1.08
Phytuberin_2	ME112922	0.91	1.08
Methyl 2-diazoacetamidohexonate	ME112830	0.91	1.08
Benzyl 2-methyl-3-oxobutanoate	ME112604	0.91	1.08
Aromatic aldehyde_2	ME112588	0.91	1.08
5-exo-Hydroxy-1,2-campholide	ME112525	0.91	1.08
7-Chloroemodin	ME112547	0.91	1.08
N-Acetyl-D-fucosamine	ME112854	0.90	1.09
L-Tryptophan	ME112813	0.90	1.09
Indospicine	ME112747	0.90	1.09
Indole_2	ME112738	0.90	1.09
Dihydro-4,4-dimethyl-2,3-furandione_1	ME112674	0.90	1.09
Deethylatrazine	ME112658	0.90	1.09
Creatine-D3	ME112642	0.90	1.09
Botrydial_2	ME112614	0.90	1.09
2-Oxosuberate	ME112447	0.90	1.09
4-Amino-5-hydroxymethyl-2-methylpyrimidine	ME112489	0.90	1.09
Zeatin	ME113037	0.90	1.08
L-Valine_2	ME112815	0.90	1.08
N-Carbamoylputrescine	ME112871	0.90	1.08
Proline	ME112931	0.87	1.11
L-Glutamate_2	ME112777	0.87	1.11
Ferricyanide_1	ME112704	0.87	1.11
3-Methyleneoxindole_2	ME112474	0.87	1.11
Benzoate	ME112600	0.87	1.11
Pregnenolone acetate_1	ME112927	0.88	1.11
N6-Hydroxy-L-lysine	ME112852	0.88	1.11
L-Carnitine	ME112767	0.88	1.11
L-Histidine	ME112779	0.88	1.11
3-Sulfomuconate	ME112480	0.88	1.10
Tyramine_1	ME113016	0.88	1.10
Phendimetrazine_1	ME112911	0.89	1.10
L-Rhamnose	ME112808	0.89	1.10
Dihydro-4,4-dimethyl-2,3-furandione_2	ME112675	0.89	1.10
Benzotrichloride	ME112602	0.89	1.10
(9Z)-Hexadecenoic acid_3	ME112379	0.89	1.10
alpha-Methylstyrene_1	ME112569	0.89	1.10
Quinoxaline-2-carboxylic acid	ME112948	1.16	0.86
Propofol	ME112934	1.16	0.86
5-Hydroxyindoleacetate_1	ME112527	1.16	0.86
Indolelactate	ME112746	1.16	0.86
2,5-Dioxopentanoate	ME112425	1.15	0.86
Sebacic acid	ME112963	1.15	0.87
Levetiracetam	ME112775	1.15	0.87
5,6-Dihydrothymine_2	ME112517	1.15	0.87
alpha-Oxo-benzeneacetic acid	ME112571	1.15	0.87
2-Hydroxycyclohexan-1-one_1	ME112438	1.14	0.88
Etidronic acid	ME112697	1.14	0.88
Peganine_1	ME112907	1.14	0.87
N-Acetyl-L-leucine_4	ME112861	1.14	0.87
3-Methylguanine_2	ME112477	1.14	0.87
L-Iduronate 2-sulfate_2	ME112784	1.14	0.87
Coumarin_2	ME112640	1.07	0.93
Pirbuterol	ME112924	1.07	0.94
3-Chloro-D-alanine_3	ME112462	1.07	0.94
4-Aminobiphenyl	ME112490	1.07	0.94
(3-Arylcarbonyl)-alanine_2	ME112367	1.08	0.92
Saccharin sodium anhydrous	ME112958	1.08	0.93
Pyridoxal_3	ME112943	1.08	0.93
N5-Phenyl-L-glutamine_1	ME112847	1.08	0.93
L-Kynurenine	ME112789	1.08	0.93
Cucurbic acid_2	ME112647	1.08	0.93
Clopyralid	ME112636	1.08	0.93
5-Hydroxypentanoate	ME112532	1.08	0.93
4-Hydroxybutanoic acid_2	ME112504	1.08	0.93
4-Cumylphenol	ME112492	1.08	0.93
2-Ethylhexyl phthalate_1	ME112433	1.08	0.93
4-Acetamidobutanoate_1	ME112485	1.08	0.93
Ubenimex	ME113019	1.09	0.93
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1	ME112386	1.09	0.92
N,N^-Diphenyl-p-phenylenediamine	ME112844	1.09	0.92
L-Pipecolate_2	ME112807	1.09	0.92
L-Methionine S-oxide_1	ME112794	1.09	0.92
Diethylene glycol_1	ME112669	1.09	0.92
D-Glucose	ME112665	1.09	0.92
Cinnamaldehyde_2	ME112632	1.09	0.92
Allidochlor	ME112562	1.09	0.92
alpha-Methylstyrene_2	ME112570	1.09	0.92
Nicotinate	ME112881	1.13	0.88
5-Sulfosalicylate_3	ME112540	1.13	0.88
CCCP	ME112629	1.13	0.88
5-Aminolevulinate_2	ME112524	1.13	0.89
Octanoic acid	ME112894	1.12	0.89
N-Acetyl-L-leucine_3	ME112860	1.12	0.89
Calcium glycerophosphate	ME112625	1.12	0.89
Dinitrochlorobenzene_1	ME112680	1.12	0.89
Tetrahydropteridine	ME112993	1.10	0.91
Sulcatone	ME112979	1.10	0.91
Precocene II	ME112926	1.10	0.91
Indole_4	ME112740	1.10	0.91
Hippurate	ME112732	1.10	0.91
4-Vinylcyclohexene	ME112514	1.10	0.91
Coumarin_1	ME112639	1.10	0.91
4-Nitrophenol	ME112506	1.12	0.90
Zinnimidine_2	ME113040	1.12	0.90
4-Aminobutanoate	ME112491	1.11	0.91
Pyridoxamine_2	ME112946	1.11	0.90
L-Glutamate_3	ME112778	1.11	0.90
5-Ureido-4-imidazole carboxylate_1	ME112541	1.11	0.90
2-Hydroxycyclohexan-1-one_2	ME112439	1.11	0.90
3-Methyleneoxindole_3	ME112475	1.11	0.90
L-Octanoylcarnitine_2	ME112798	1.20	0.80
L-Citrulline_1	ME112768	1.22	0.81
Pantothenate	ME112904	1.22	0.81
3-Hydroxyanthranilate_2	ME112469	1.21	0.82
Biotin	ME112609	1.21	0.82
Pyridoxal_4	ME112944	1.21	0.81
L-Glutamate_1	ME112776	1.21	0.81
Dopamine	ME112690	1.21	0.81
Dinitrochlorobenzene_2	ME112681	1.21	0.81
Cytidine	ME112652	1.21	0.81
Cytosine_2	ME112654	1.21	0.81
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2	ME112635	1.20	0.82
4-Oxocyclohexanecarboxylate	ME112507	1.19	0.83
Cytosine_1	ME112653	1.19	0.83
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1	ME112634	1.20	0.83
O-Propanoylcarnitine	ME112898	1.20	0.83
Calcium salicylate	ME112626	1.17	0.85
N-Acetyl-L-phenylalanine_1	ME112864	1.18	0.84
L-Cysteate_1	ME112770	1.18	0.84
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	ME112417	1.18	0.84
(+)-Bornane-2,5-dione_1	ME112362	1.18	0.84
4-Guanidinobutanal_2	ME112498	1.26	0.83
Phenylethyl alcohol_1	ME112917	1.24	0.79
2-Naphthylamine_2	ME112445	1.24	0.79
alpha-Sinensal_2	ME112575	1.24	0.79
L-Adrenaline_2	ME112761	1.24	0.78
N-Acetyl-L-phenylalanine_2	ME112865	1.24	0.78
N1-Methyl-2-pyridone-5-carboxamide_1	ME112845	1.23	0.79
Thiomorpholine 3-carboxylate	ME112996	1.23	0.80
4-Guanidinobutanoate_1	ME112499	1.23	0.80
Nicotinamide	ME112880	1.23	0.80
Tolmetin sodium	ME113004	1.24	0.76
Urate	ME113023	1.25	0.78
5-Acetamidopentanoate_2	ME112520	1.25	0.77
Crotanecine_2	ME112644	1.26	0.77
5-Acetamidopentanoate_1	ME112519	1.35	0.69
Isoquinoline_2	ME112751	1.35	0.69
N-Acetyl-L-glutamate 5-semialdehyde	ME112856	1.34	0.70
Phensuximide_1	ME112914	1.34	0.70
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_1	ME112384	1.33	0.70
2-Ethylhexyl phthalate_2	ME112434	1.33	0.70
Benz[a]acridine_1	ME112596	1.33	0.70
Allantoin	ME112561	1.33	0.71
Succinic anhydride_2	ME112978	1.33	0.71
L-Pipecolate_1	ME112806	1.27	0.76
5,6-Dihydrouracil	ME112518	1.27	0.76
L-Asparagine_1	ME112763	1.27	0.76
O-Butanoylcarnitine	ME112893	1.28	0.75
N-Acetyl-L-leucine_2	ME112859	1.28	0.75
L-Adrenaline_1	ME112760	1.28	0.75
L-Arginine	ME112762	1.28	0.75
Isovalerylcarnitine	ME112754	1.30	0.73
Acutumidine	ME112554	1.30	0.75
Succinate_2	ME112976	1.30	0.74
3,4-Dihydroxyphenylethyleneglycol_3	ME112453	1.29	0.74
Tris(butoxyethyl)phosphate	ME113012	1.29	0.74
8-Deoxylactucin	ME112548	1.25	0.71
1^-Acetoxyeugenol acetate	ME112399	1.29	0.67
Corticosterone_1	ME112637	1.29	0.71
2-(3^-Methylthio)propylmalic acid	ME112408	1.00	NA
N-Cyclohexylformamide	ME112872	1.96	0.14
2-(6^-Methylthio)hexylmalic acid	ME112409	1.80	0.29
5-(2-Hydroxyethyl)-4-methylthiazole	ME112515	1.81	0.28
N-Dimethyl-2-aminoethylphosphonate_2	ME112875	1.81	0.28
(-)-Annonaine	ME112361	1.78	0.31
Portulacaxanthin III	ME112925	1.79	0.30
2-Aminomuconate	ME112431	1.57	0.49
Ferricyanide_2	ME112705	1.57	0.49
N-Methylhistamine	ME112883	1.56	0.50
Prinomide	ME112929	1.56	0.51
5-O-Methyl-myo-inositol	ME112537	1.63	0.44
Spermine	ME112968	1.62	0.45
Uracil_2	ME113021	1.68	0.40
Phenacetin	ME112910	1.66	0.41
(3-Arylcarbonyl)-alanine_1	ME112366	1.65	0.43
Crotanecine_1	ME112643	1.65	0.42
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME112428	1.31	0.58
Terbutaline_2	ME112991	1.28	0.63
Uridine_2	ME113025	1.44	0.61
Spermidine	ME112967	1.46	0.59
4-Pyridoxate	ME112513	1.45	0.60
5-Ureido-4-imidazole carboxylate_2	ME112542	1.45	0.60
Mandelonitrile	ME112821	1.47	0.58
L-Iduronate 2-sulfate_1	ME112783	1.48	0.58
1-Pyrroline-2-carboxylate	ME112407	1.48	0.58
Indole-3-acetate_1	ME112743	1.48	0.58
Anthocyanin	ME112579	1.49	0.57
Fagomine_2	ME112700	1.49	0.57
Melamine	ME112825	1.50	0.56
Metalaxyl	ME112827	1.50	0.56
3-Sulfopyruvate	ME112481	1.47	0.69
2-Aminoadenosine	ME112430	1.38	0.57
Cytosine_3	ME112655	1.38	0.66
Methylimidazoleacetic acid_2	ME112836	1.37	0.67
N-Acetyl-L-leucine_1	ME112858	1.38	0.67
Methylimidazoleacetic acid_1	ME112835	1.40	0.65
Thymine_1	ME113000	1.40	0.64
(1-Ribosylimidazole)-4-acetate	ME112365	1.40	0.64
Cyclohexane-1,3-dione_1	ME112648	1.40	0.64
Tyramine_2	ME113017	1.41	0.63
5-Guanidino-2-oxopentanoate	ME112526	1.42	0.63
N-Acetyl-L-histidine	ME112857	1.42	0.62

Factors:

F1	Strain:B6.Sle1.Sle2.Sle3 (TC) \| Treatment:lupus prone
F2	Strain:C57BL/6J \| Treatment:control

Data matrix