Metabolomics Workbench : NIH Data Repository

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

NEGATIVE ION MODE (Analysis AN000497)

Metabolite	Structure	F1	F2
2-Hydroxyethylphosphonate	ME113124	0.30	2.40
Buprenorphine_3	ME113327	1.00	NA
2-(3^-Methylthio)propylmalic acid	ME113095	1.00	NA
4^-Methoxychalcone	ME113207	1.00	NA
sarmentogenin	ME113688	NA	1.00
Sannamycin A_2	ME113687	NA	1.00
Sannamycin A_1	ME113686	NA	1.00
Retinal	ME113679	NA	1.00
Quassin	ME113676	NA	1.00
PGH2-EA_2	ME113644	NA	1.00
PGH2-EA_1	ME113643	NA	1.00
Pentadecanoyl-EA_2	ME113642	NA	1.00
Pentadecanoyl-EA_1	ME113641	NA	1.00
PC(18:3(9Z,12Z,15Z)/0:0)_2	ME113623	NA	1.00
Oblongolide_3	ME113594	NA	1.00
N-oleoyl glutamic acid_2	ME113584	NA	1.00
N-oleoyl glutamic acid_1	ME113583	NA	1.00
Lovastatin	ME113501	NA	1.00
Linoleamide_2	ME113485	NA	1.00
Lemobiline	ME113470	NA	1.00
(-)-Jolkinol A	ME113042	NA	1.00
Hoechst 33342	ME113435	NA	1.00
Himbacine	ME113432	NA	1.00
hexadecanedioic acid mono-L-carnitine ester	ME113429	NA	1.00
gamma-L-Glutamyl-D-alanine	ME113415	NA	1.00
gamma-Glutamyl-gamma-aminobutyraldehyde	ME113414	NA	1.00
Epothilone C	ME113396	NA	1.00
Diosgenin_2	ME113387	NA	1.00
Diosgenin_1	ME113386	NA	1.00
Decoside	ME113361	NA	1.00
Debromoaplysiatoxin	ME113360	NA	1.00
Cholesterol sulfate	ME113334	NA	1.00
Buprenorphine_2	ME113326	NA	1.00
(+)-Bornane-2,5-dione_2	ME113044	NA	1.00
Benz[a]acridine_3	ME113307	NA	1.00
Benz[a]acridine_2	ME113306	NA	1.00
Bentazone-sodium	ME113304	NA	1.00
Aspartame_2	ME113299	NA	1.00
Alantolactone_2	ME113269	NA	1.00
9,12,15-Octadecatrien-1-ol	ME113259	NA	1.00
6,8-Dimethyl-6,7-didehydroergoline_2	ME113251	NA	1.00
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3	ME113052	NA	1.00
3-Oxochola-1,4-dien-24-oic Acid_2	ME113173	NA	1.00
3-Dehydroecdysone_2	ME113157	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_5	ME113149	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_4	ME113148	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3	ME113147	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2	ME113146	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1	ME113145	NA	1.00
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_4	ME113144	NA	1.00
3,3^-Dimethylbisphenol A	ME113136	NA	1.00
16-bromo-9E-hexadecenoic acid	ME113085	NA	1.00
14^-apo-beta-Carotenal	ME113084	NA	1.00
10-fluoro-capric acid_4	ME113079	NA	1.00
10-fluoro-capric acid_2	ME113077	NA	1.00
10-fluoro-capric acid_3	ME113078	NA	1.00
11-Chloro-8E,10E-undecadien-1-ol	ME113082	0.05	1.24
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2	ME113099	0.19	1.13
Glycocholate_1	ME113419	0.02	1.73
Taurodeoxycholate_1	ME113712	0.03	1.73
3-Dehydroecdysone_1	ME113156	0.03	1.69
Taurodeoxycholate_2	ME113713	0.04	1.68
Mebenil	ME113522	0.14	1.86
Taurocholate_2	ME113711	0.11	1.89
3-Ketosphingosine	ME113164	0.05	1.85
6,8-Dimethyl-6,7-didehydroergoline_1	ME113250	0.08	1.82
Leukotriene A4_2	ME113472	0.19	1.81
Abietate_1	ME113263	0.15	1.76
Oblongolide_2	ME113593	0.14	1.76
3-Oxochola-1,4-dien-24-oic Acid_3	ME113174	0.16	1.73
Pregnenolone acetate_2	ME113661	0.17	1.74
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_2	ME113142	0.16	1.75
Proclavaminic acid	ME113663	0.16	1.75
10-Desacetyltaxuyunnanin C	ME113074	0.12	1.75
Arachidonate_1	ME113293	0.12	1.78
MG(16:0/0:0/0:0)[rac]	ME113534	0.12	1.78
Lythramine_2	ME113516	0.13	1.78
Taurocholate_1	ME113710	0.13	1.78
Fusicoccin H_1	ME113411	0.10	1.78
Fusicoccin H_2	ME113412	0.10	1.77
Lythramine_1	ME113515	0.11	1.79
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	ME113160	0.09	1.80
Bufadienolide	ME113324	0.10	1.80
Virol B	ME113751	0.28	1.96
Prostaglandin H2_2	ME113667	0.20	2.12
Dimethisterone	ME113382	0.05	1.95
L-Olivosyl-oleandolide_1	ME113498	0.11	2.01
L-Olivosyl-oleandolide_2	ME113499	0.10	2.02
(+)-Bornane-2,5-dione_3	ME113045	0.33	1.76
5,7,9,11,13-tetradecapentaenoic acid_2	ME113220	0.38	1.83
Retinoate_2	ME113681	0.44	1.79
Zearalenone	ME113759	0.37	1.63
Anthopleurine	ME113290	0.36	1.64
Pimelate	ME113657	0.36	1.64
Wyerone	ME113754	0.27	1.64
10-oxo-nonadecanoic acid	ME113080	0.28	1.64
Nitrilacarb	ME113578	0.28	1.64
Sphingosine_1	ME113695	0.25	1.66
(8Z,11Z,14Z)-Icosatrienoic acid	ME113057	0.27	1.65
Abacavir	ME113262	0.27	1.65
5,7,9,11,13-tetradecapentaenoic acid_3	ME113221	0.26	1.66
Methohexital	ME113525	0.26	1.66
9,12-Hexadecadienylcarnitine	ME113260	0.26	1.65
Arnebinol	ME113295	0.26	1.65
PC(18:3(9Z,12Z,15Z)/0:0)_1	ME113622	0.32	1.60
5S-HETE di-endoperoxide	ME113243	0.32	1.61
5alpha-Androstan-17beta-ol propionate	ME113225	0.31	1.61
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	ME113416	0.31	1.61
Linoleate_1	ME113486	0.30	1.62
4-Dodecylphenol_1	ME113192	0.30	1.62
Anandamide (18:3, n-6)	ME113289	0.30	1.62
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2	ME113051	0.29	1.63
5-L-Glutamyl-taurine	ME113238	0.29	1.63
N-stearoyl tyrosine	ME113591	0.30	1.54
Promegestone_2	ME113665	0.26	1.58
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1	ME113050	0.21	1.70
Bakkenolide A_3	ME113302	0.21	1.70
N-palmitoyl serine	ME113589	0.20	1.71
Bakkenolide A_1	ME113300	0.20	1.71
Myriocin	ME113535	0.20	1.71
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	ME113161	0.19	1.72
Taurine_2	ME113709	0.18	1.71
3-Oxochola-1,4-dien-24-oic Acid_1	ME113172	0.21	1.68
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1	ME113048	0.24	1.68
Biochanin A	ME113317	0.17	1.55
Sulfoglycolithocholic acid	ME113707	0.20	1.60
GV 150013X	ME113424	0.15	1.61
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1	ME113098	0.17	1.64
(S)-ATPA_1	ME113068	0.19	1.63
Felbamate	ME113402	0.07	1.62
Isodomedin	ME113450	0.13	1.65
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2	ME113107	0.13	1.68
3-tert-Butyl-5-methylcatechol_2	ME113180	0.12	1.68
Leukotriene A4_1	ME113471	0.56	1.58
Mansonone C	ME113521	0.50	1.60
alpha-Ionone_2	ME113279	0.33	1.45
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_4	ME113053	0.35	1.51
Stearoylcarnitine_2	ME113700	0.38	1.55
Serotonin	ME113690	0.38	1.55
PC(16:1(9E)/0:0)	ME113619	0.38	1.55
(6Z,9Z,12Z)-Octadecatrienoic acid_3	ME113056	0.38	1.55
alpha-Ionone_1	ME113278	0.38	1.55
N-stearoyl serine	ME113590	0.37	1.56
Coumestrol 3-O-glucoside	ME113346	0.37	1.56
Indole-3-acetaldehyde_1	ME113442	0.37	1.56
(9Z)-Octadecenoic acid	ME113062	0.36	1.57
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2	ME113715	0.35	1.57
D-Octopine	ME113390	0.33	1.58
Calystegin B2	ME113331	0.34	1.59
Schizandrin C	ME113689	0.35	1.58
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1	ME113714	0.34	1.58
Abietate_2	ME113264	0.34	1.58
PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	ME113626	0.34	1.58
Ketoprofen	ME113456	0.48	1.52
Toxyl angelate_2	ME113731	0.46	1.54
Agroclavine_1	ME113266	0.47	1.53
Agroclavine_2	ME113267	0.47	1.53
Vomitoxin	ME113752	0.43	1.57
L-Methionine S-oxide_2	ME113495	0.43	1.50
3-O-alpha-Mycarosylerythronolide B	ME113171	0.42	1.51
PC(20:3(8Z,11Z,14Z)/0:0)	ME113624	0.43	1.51
Urocanate_R3	ME113749	0.40	1.54
Glycyl-leucine_3	ME113423	0.39	1.54
L-Arginine	ME113461	0.39	1.54
(9Z)-Hexadecenoic acid_2	ME113059	0.40	1.53
Latia luciferin	ME113465	0.40	1.53
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	ME113628	0.41	1.53
Paederoside	ME113609	0.41	1.53
L-Palmitoylcarnitine	ME113502	0.41	1.53
N-Acetylornithine_1	ME113561	0.41	1.53
Nona-2,6-dienal_2	ME113586	0.41	1.52
PC(20:4(5Z,8Z,11Z,14Z)/0:0)	ME113625	0.42	1.52
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_3	ME113108	0.35	1.29
Glycocholate_2	ME113420	0.08	1.53
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_3	ME113143	0.15	1.47
Benzyl nicotinate	ME113314	0.14	1.38
Rehmaionoside C	ME113678	0.12	1.39
8-Deoxylactucin	ME113256	1.25	0.71
Isovalerylcarnitine	ME113454	1.30	0.73
Succinate_2	ME113703	1.30	0.74
1^-Acetoxyeugenol acetate_1	ME113086	1.29	0.74
3,4-Dihydroxyphenylethyleneglycol_2	ME113138	1.29	0.74
Methylimidazoleacetic acid_2	ME113530	1.28	0.76
L-Pipecolate_1	ME113504	1.27	0.76
5,6-Dihydrouracil	ME113218	1.27	0.76
L-Asparagine_1	ME113462	1.27	0.76
O-Butanoylcarnitine	ME113595	1.28	0.75
Tris(butoxyethyl)phosphate	ME113736	1.29	0.75
1^-Acetoxyeugenol acetate_2	ME113087	1.29	0.67
2-Aminoadenosine	ME113115	1.30	0.66
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2	ME113339	1.30	0.65
3-Sulfopyruvate_2	ME113178	1.36	0.72
N-Acetyl-L-leucine_2	ME113554	1.35	0.69
5-Acetamidopentanoate_1	ME113222	1.35	0.69
Isoquinoline_1	ME113451	1.35	0.69
N-Acetyl-L-glutamate 5-semialdehyde	ME113551	1.34	0.70
Phensuximide_1	ME113649	1.34	0.70
Benz[a]acridine_1	ME113305	1.33	0.70
Succinic anhydride_2	ME113705	1.33	0.71
2-Ethylhexyl phthalate_1	ME113119	1.33	0.71
Allantoin	ME113272	1.33	0.71
PA(17:2(9Z,12Z)/0:0)	ME113608	1.38	0.66
Cytosine_2	ME113358	1.38	0.66
Methylimidazoleacetic acid_1	ME113529	1.38	0.66
Methylimidazoleacetic acid_3	ME113531	1.37	0.67
N-Acetyl-L-leucine_1	ME113553	1.38	0.67
Cyclohexane-1,3-dione_1	ME113352	1.40	0.64
Thymine_1	ME113724	1.40	0.64
Tyramine_R1	ME113739	1.41	0.63
5-Guanidino-2-oxopentanoate	ME113230	1.42	0.63
N-Acetyl-L-histidine	ME113552	1.42	0.62
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME113113	1.39	0.55
Fagomine_2	ME113401	1.49	0.57
L-Iduronate 2-sulfate_1	ME113482	1.49	0.56
Mandelonitrile	ME113519	1.47	0.58
1-Pyrroline-2-carboxylate	ME113093	1.48	0.58
Indole-3-acetate_1	ME113444	1.48	0.58
Uridine_R2	ME113746	1.44	0.61
Spermidine	ME113692	1.46	0.59
2R-aminoheptanoic acid_2	ME113132	1.46	0.59
5-Hydroxyindoleacetate_1	ME113231	1.46	0.59
4-Pyridoxate	ME113213	1.45	0.60
5-Ureido-4-imidazole carboxylate_2	ME113248	1.45	0.60
Spermine	ME113693	1.62	0.45
Uracil_R2	ME113742	1.68	0.40
Phenacetin	ME113645	1.66	0.41
(3-Arylcarbonyl)-alanine_1	ME113046	1.65	0.43
5-O-Methyl-myo-inositol	ME113242	1.65	0.42
Crotanecine_1	ME113348	1.65	0.42
4,6^-Epoxyorotiniflavan-4-ol	ME113183	1.51	0.54
Metalaxyl	ME113524	1.54	0.52
2-Aminomuconate	ME113116	1.57	0.49
Ferricyanide_2	ME113405	1.57	0.49
N-Methylhistamine	ME113580	1.56	0.50
Prinomide	ME113662	1.56	0.51
N-Cyclohexylformamide	ME113567	1.97	0.14
5-(2-Hydroxyethyl)-4-methylthiazole	ME113215	1.81	0.28
N-Dimethyl-2-aminoethylphosphonate_2	ME113570	1.81	0.28
2-(6^-Methylthio)hexylmalic acid	ME113096	1.79	0.30
(-)-Annonaine	ME113041	1.78	0.31
PS(O-18:0/0:0)_2	ME113669	0.74	1.26
1,8-Dinitropyrene	ME113073	0.71	1.25
N-(3,4-Dichlorophenyl)-malonamate	ME113536	0.72	1.25
Streptobiosamine	ME113701	0.72	1.25
(S)-Malate	ME113070	0.73	1.24
Peganine_2	ME113639	0.73	1.24
PC(O-1:0/16:0)	ME113629	0.73	1.24
L-Threonine_2	ME113509	0.73	1.24
Fexofenadine	ME113406	0.73	1.24
Dienestrol_2	ME113372	0.73	1.24
Buprenorphine_1	ME113325	0.73	1.24
5-Hydroxy-L-tryptophan_2	ME113234	0.73	1.24
(6Z,9Z,12Z)-Octadecatrienoic acid_1	ME113054	0.73	1.24
5-Hydroxy-L-tryptophan_3	ME113235	0.75	1.23
THTA	ME113722	0.74	1.23
PE(18:2(9Z,12Z)/0:0)	ME113634	0.74	1.23
Oblongolide_1	ME113592	0.74	1.23
(9Z)-Hexadecenoic acid_4	ME113061	0.74	1.23
(9Z)-Hexadecenoic acid_1	ME113058	0.74	1.23
3-Chloro-D-alanine_1	ME113153	0.74	1.23
5-N-Methyloxaluric acid	ME113241	0.74	1.23
Ipazine	ME113449	0.78	1.22
Sphingosine 1-phosphate	ME113697	0.79	1.21
Bixin_2	ME113321	0.75	1.22
3-Sulfocatechol	ME113175	0.75	1.22
4-Oxoproline_1	ME113209	0.75	1.22
PE(20:3(8Z,11Z,14Z)/0:0)	ME113635	0.76	1.22
4-Hydroxybutanoic acid_2	ME113203	0.76	1.22
Arachidonate_2	ME113294	0.76	1.22
L-Octanoylcarnitine	ME113497	0.76	1.21
L-Glutamine	ME113477	0.76	1.21
5-Nitro-ortho-anisidine	ME113240	0.76	1.21
Batrachotoxin	ME113303	0.76	1.21
1-Phenylethylamine	ME113092	0.77	1.21
Indole-3-acetate_2	ME113445	0.77	1.21
4-Oxoproline_2	ME113210	0.77	1.20
5-Methylthiopentanaldoxime	ME113239	0.77	1.20
Sphingosine_2	ME113696	0.64	1.32
Methyl acetyl ricinoleate	ME113527	0.64	1.32
L-2-Aminoadipate_1	ME113459	0.64	1.32
4-Amino-2-hydroxylamino-6-nitrotoluene_1	ME113187	0.64	1.32
5-Sulfosalicylate_3	ME113246	0.64	1.32
Trp-P-1_1	ME113737	0.66	1.30
PA(15:1(9Z)/0:0)	ME113607	0.66	1.30
L-Ornithine	ME113500	0.66	1.30
Dodemorph	ME113392	0.66	1.30
Karwinaphthol B	ME113455	0.66	1.30
Metipranolol_2	ME113533	0.66	1.31
Retinoate_1	ME113680	0.65	1.31
Prostaglandin H2_1	ME113666	0.65	1.31
PC(18:0/0:0)	ME113620	0.65	1.31
PC(13:0/0:0)	ME113614	0.65	1.31
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1	ME113106	0.65	1.31
Allantoate	ME113271	0.65	1.31
Riboflavin	ME113682	0.70	1.26
Pulcherriminic acid	ME113671	0.70	1.26
Benzoyl phosphate	ME113312	0.70	1.26
Bixin_1	ME113320	0.70	1.26
Otonecine_5	ME113606	0.69	1.27
N-Methylpelletierine	ME113581	0.69	1.27
L-Lysine	ME113492	0.69	1.27
alpha-Ribazole	ME113283	0.69	1.27
Corticosterone_2	ME113343	0.69	1.27
Imazaquin	ME113437	0.70	1.27
PC(15:1(9Z)/0:0)	ME113617	0.70	1.27
D-Ribitol 5-phosphate	ME113394	0.69	1.28
Methyl methanesulfonate	ME113528	0.68	1.28
Heneicosanedioic acid_1	ME113427	0.68	1.28
3-amino-octanoic acid_2	ME113151	0.68	1.28
9,12,13-TriHOME_2	ME113258	0.68	1.28
L-Serine	ME113507	0.68	1.29
Nicotianamine	ME113575	0.67	1.29
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME113081	0.61	1.35
Linoleamide_1	ME113484	0.61	1.35
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME113573	0.60	1.35
Alantolactone_1	ME113268	0.60	1.35
N1-Methyl-2-pyridone-5-carboxamide_2	ME113542	0.60	1.35
Fludrocortisone acetate	ME113407	0.59	1.36
2,3,5-Trihydroxytoluene	ME113100	0.60	1.36
N-linoleoyl taurine	ME113579	0.60	1.36
Gymnodimine_1	ME113425	0.62	1.34
9,12,13-TriHOME_1	ME113257	0.62	1.34
Dienestrol_1	ME113371	0.62	1.34
Diacetylaminoazotoluene	ME113370	0.61	1.34
Otonecine_3	ME113604	0.61	1.34
THTC	ME113723	0.62	1.33
Betamethasone	ME113316	0.63	1.33
Fenoprofen	ME113403	0.63	1.33
alpha-Ergocryptine	ME113275	0.56	1.35
Xestoaminol C_R1	ME113756	0.57	1.38
Butabarbital_1	ME113328	0.57	1.38
PC(18:2(2E,4E)/0:0)	ME113621	0.57	1.38
PC(O-16:0/3:0)	ME113630	0.58	1.38
Coumarin_1	ME113344	0.58	1.38
4-Dodecylphenol_2	ME113193	0.58	1.38
5-Hydroxy-L-tryptophan_1	ME113233	0.58	1.38
Timolol	ME113726	0.58	1.37
PC(16:0/0:0)	ME113618	0.58	1.37
Phthalate	ME113655	0.58	1.37
4-Hydroxy-3-nitrosobenzamide	ME113200	0.55	1.40
Toxyl angelate_1	ME113730	0.57	1.39
Albafuran A	ME113270	0.56	1.39
Stearoylcarnitine_1	ME113699	0.56	1.39
N-Monomethyl-2-aminoethylphosphonate	ME113582	0.48	1.35
Urocanate_R4	ME113750	0.45	1.49
Deazaflavin	ME113359	0.45	1.49
Dethiobiotin_1	ME113365	0.45	1.49
Nona-2,6-dienal_1	ME113585	0.47	1.47
Apigenin	ME113292	0.47	1.47
Indole_3	ME113440	0.47	1.47
Heneicosanedioic acid_2	ME113428	0.46	1.48
PC(15:0/0:0)_1	ME113615	0.46	1.48
Xylobiose	ME113758	0.52	1.48
Linoleate_2	ME113487	0.49	1.46
4-Guanidinobutanal_1	ME113196	0.48	1.46
N5-Phenyl-L-glutamine_2	ME113544	0.48	1.46
beta-Carboline	ME113315	0.50	1.45
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	ME113636	0.50	1.45
PC(22:4(7Z,10Z,13Z,16Z)/0:0)	ME113627	0.49	1.45
Metipranolol_1	ME113532	0.49	1.45
O-Decanoyl-L-carnitine	ME113598	0.49	1.45
Difenpiramide_2	ME113377	0.49	1.44
Nona-2,6-dienal_3	ME113587	0.50	1.44
Butabarbital_2	ME113329	0.57	1.43
PC(O-16:1(11Z)/2:0)	ME113631	0.52	1.43
4-Hydroxy-4-methylglutamate	ME113201	0.52	1.43
N(6)-[(Indol-3-yl)acetyl]-L-lysine	ME113537	0.52	1.43
4-Amino-2-hydroxylamino-6-nitrotoluene_2	ME113188	0.51	1.44
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate	ME113097	0.51	1.43
(6Z,9Z,12Z)-Octadecatrienoic acid_2	ME113055	0.51	1.43
alpha-Santonin	ME113284	0.52	1.42
Gymnodimine_2	ME113426	0.53	1.42
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	ME113089	0.53	1.42
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid	ME113128	0.53	1.42
PC(O-18:2(9Z,12Z)/2:0)	ME113633	0.53	1.41
PS(O-18:0/0:0)_1	ME113668	0.54	1.41
PC(O-18:1(10E)/2:0)	ME113632	0.54	1.41
6,8-Dimethyl-6,7,8,9-tetradehydroergoline	ME113249	0.54	1.41
9-amino-nonanoic acid	ME113261	0.54	1.41
N-Acetyl-L-leucine_5	ME113557	1.06	0.95
Uracil_R1	ME113741	1.05	0.96
Tolmetin sodium	ME113728	1.05	0.96
Sodium chlorate	ME113691	1.05	0.96
Aminoimidazole ribotide	ME113287	1.05	0.96
3-Sulfopyruvate_1	ME113177	1.05	0.96
alpha-Sinensal_1	ME113285	1.05	0.96
(S)-ATPA_2	ME113069	1.05	0.95
Tridecanamide	ME113735	1.05	0.95
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1	ME113065	1.09	0.92
N,N^-Diphenyl-p-phenylenediamine	ME113540	1.09	0.92
L-Pipecolate_2	ME113505	1.09	0.92
L-Methionine S-oxide_1	ME113494	1.09	0.92
Diethylene glycol_1	ME113373	1.09	0.92
D-Glucose	ME113369	1.09	0.92
Cinnamaldehyde_3	ME113337	1.09	0.92
alpha-Methylstyrene_2	ME113281	1.09	0.92
3-Deoxyvitamin D3	ME113159	1.09	0.92
5,7,9,11,13-tetradecapentaenoic acid_1	ME113219	1.09	0.92
Coumarin_2	ME113345	1.07	0.93
Pirbuterol	ME113658	1.07	0.94
3-Chloro-D-alanine_3	ME113155	1.07	0.94
4-Aminobiphenyl	ME113189	1.07	0.94
(3-Arylcarbonyl)-alanine_2	ME113047	1.08	0.92
Saccharin sodium anhydrous	ME113683	1.08	0.93
N5-Phenyl-L-glutamine_1	ME113543	1.08	0.93
L-Kynurenine	ME113489	1.08	0.93
Clopyralid	ME113340	1.08	0.93
5-Hydroxypentanoate_2	ME113237	1.08	0.93
4-Hydroxybutanoic acid_3	ME113204	1.08	0.93
4-Cumylphenol	ME113191	1.08	0.93
4-Acetamidobutanoate_1	ME113185	1.08	0.93
4,10-undecadiynal	ME113182	1.08	0.93
2E,4Z-Heptadien-1-ol	ME113118	1.08	0.93
2-Ethylhexyl phthalate_2	ME113120	1.08	0.93
Tetrahydropteridine	ME113718	1.10	0.91
Sulcatone	ME113706	1.10	0.91
Quinoxaline-2-carboxylic acid	ME113677	1.10	0.91
Precocene II	ME113659	1.10	0.91
Indole_4	ME113441	1.10	0.91
4-Vinylcyclohexene	ME113214	1.10	0.91
Hippurate	ME113433	1.10	0.91
4-Aminobutanoate	ME113190	1.11	0.91
L-Glutamate_3	ME113476	1.11	0.90
Dinitrochlorobenzene_3	ME113385	1.11	0.90
5-Ureido-4-imidazole carboxylate_1	ME113247	1.11	0.90
2-Hydroxycyclohexan-1-one	ME113123	1.11	0.90
3-Methyleneoxindole_2	ME113167	1.11	0.90
Nicotinate	ME113577	1.13	0.88
CCCP	ME113333	1.13	0.88
5-Sulfosalicylate_1	ME113244	1.13	0.88
Allidochlor_2	ME113274	1.13	0.88
Octanoic acid	ME113596	1.12	0.89
N-Acetyl-L-leucine_3	ME113555	1.12	0.89
Magnoshinin	ME113518	1.12	0.89
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	ME113103	1.12	0.89
Calcium glycerophosphate	ME113330	1.12	0.89
Zinnimidine_R2	ME113763	1.12	0.90
4-Nitrophenol	ME113208	1.12	0.90
N6-(delta2-Isopentenyl)-adenine_2	ME113546	1.12	0.90
Peganine_1	ME113638	1.14	0.87
N-Formimino-L-glutamate	ME113572	1.14	0.87
3-Methylguanine_2	ME113170	1.14	0.87
L-Iduronate 2-sulfate_2	ME113483	1.14	0.87
2,5-Dioxopentanoate	ME113111	1.15	0.86
5,6-Dihydrothymine_2	ME113217	1.15	0.86
N-Acetyl-L-leucine_4	ME113556	1.15	0.87
alpha-Oxo-benzeneacetic acid	ME113282	1.15	0.87
Levetiracetam	ME113473	1.15	0.87
Indolelactate	ME113447	1.18	0.84
4-Ketocyclophosphamide	ME113206	1.18	0.84
(+)-Bornane-2,5-dione_1	ME113043	1.18	0.84
Dinitrochlorobenzene_2	ME113384	1.17	0.85
Urocanate_R1	ME113747	1.17	0.85
4-Guanidinobutanal_2	ME113197	1.26	0.83
Pantothenate	ME113611	1.22	0.81
L-Citrulline_1	ME113467	1.22	0.81
O-hexanoyl-R-carnitine	ME113599	1.22	0.81
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1	ME113338	1.21	0.82
3-Hydroxyanthranilate	ME113162	1.21	0.82
Biotin	ME113318	1.21	0.82
Pyridoxal_3	ME113674	1.21	0.81
L-Glutamate_1	ME113474	1.21	0.81
Dopamine	ME113393	1.21	0.81
Cytidine	ME113356	1.21	0.81
Cytosine_1	ME113357	1.21	0.81
N-Acetyl-L-phenylalanine	ME113559	1.20	0.82
Phensuximide_2	ME113650	1.20	0.82
Etidronic acid	ME113398	1.19	0.83
O-Propanoylcarnitine	ME113601	1.20	0.83
Crotanecine_2	ME113349	1.26	0.77
5-Acetamidopentanoate_2	ME113223	1.25	0.77
3-amino-octanoic acid_1	ME113150	1.25	0.78
Urate	ME113744	1.25	0.78
Thiomorpholine 3-carboxylate	ME113721	1.23	0.80
Nicotinamide	ME113576	1.23	0.80
4-Guanidinobutanoate_1	ME113198	1.23	0.80
Corticosterone_1	ME113342	1.23	0.80
N1-Methyl-2-pyridone-5-carboxamide_1	ME113541	1.23	0.79
Phenylethyl alcohol_1	ME113652	1.24	0.79
2-Naphthylamine_2	ME113127	1.24	0.79
alpha-Sinensal_2	ME113286	1.24	0.79
Nordazepam	ME113588	0.77	1.10
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol	ME113277	0.84	1.14
S-Allyl-L-cysteine	ME113685	0.84	1.14
Otonecine_1	ME113602	0.85	1.13
3,4-Methylenedioxymethamphetamine_1	ME113139	0.85	1.13
Ammeline	ME113288	0.85	1.13
Glycyl-leucine_2	ME113422	0.85	1.14
Xanomeline	ME113755	0.85	1.14
N(pi)-Methyl-L-histidine	ME113538	0.86	1.13
Lichenin_2	ME113481	0.86	1.13
Diethylene glycol_2	ME113374	0.86	1.13
1,2,6-Hexanetriol	ME113072	0.86	1.13
alpha-Erythroidine	ME113276	0.86	1.13
Succinate_1	ME113702	0.86	1.12
Otonecine_4	ME113605	0.86	1.12
O-Methylptelefolonium	ME113600	0.86	1.12
N-Cyclopropylammeline	ME113568	0.86	1.12
N6-Acetyl-N6-hydroxy-L-lysine	ME113547	0.86	1.12
D-Lysopine	ME113388	0.86	1.12
Diethylpropion	ME113375	0.86	1.12
Aspartame_1	ME113298	0.86	1.12
2-Amino-9H-pyrido[2,3-b]indole	ME113114	0.86	1.12
3-tert-Butyl-5-methylcatechol_1	ME113179	0.86	1.12
Pregnenolone acetate_1	ME113660	0.88	1.11
L-Carnitine	ME113466	0.88	1.11
L-Histidine	ME113478	0.88	1.11
Mannitol	ME113520	0.87	1.12
Maculosin	ME113517	0.87	1.12
2R-aminoheptanoic acid_3	ME113133	0.87	1.12
L-Tyrosine	ME113511	0.87	1.12
L-Proline	ME113506	0.87	1.11
L-Glutamate_2	ME113475	0.87	1.11
Ferricyanide_1	ME113404	0.87	1.11
Buclizine	ME113323	0.87	1.11
3-Methyleneoxindole_3	ME113168	0.87	1.11
Benzoate	ME113309	0.87	1.11
Urocanate_R2	ME113748	0.83	1.15
p-Benzoquinone_2	ME113613	0.83	1.15
N6-Methyl-L-lysine	ME113548	0.83	1.15
Hexylamine	ME113431	0.83	1.15
7,8-Diaminononanoate	ME113252	0.83	1.15
2R-aminoheptanoic acid_1	ME113131	0.83	1.15
3-Hydroxy-L-glutamate	ME113163	0.83	1.15
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2	ME113066	0.82	1.16
N-Acetyl-L-leucine_6	ME113558	0.82	1.16
Dobutamine	ME113389	0.82	1.16
Benzofuran	ME113310	0.82	1.16
Cinnamaldehyde_1	ME113335	0.82	1.16
Botrydial	ME113322	0.79	1.19
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME113091	0.79	1.19
2,3,6-Trihydroxypyridine	ME113101	0.79	1.19
N6-(delta2-Isopentenyl)-adenine_1	ME113545	0.78	1.19
N-Amidino-L-glutamate_1	ME113563	0.78	1.19
L-Citrulline_2	ME113468	0.81	1.17
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	ME113637	0.81	1.17
Sphinganine	ME113694	0.80	1.18
Pseudopelletierine	ME113670	0.80	1.18
PC(15:0/0:0)_2	ME113616	0.80	1.18
2-Oxoglutaramate	ME113129	0.80	1.18
Indole-3-acetaldehyde_2	ME113443	0.80	1.18
Otonecine_2	ME113603	0.80	1.17
Fagomine_1	ME113400	0.80	1.17
L-Asparagine_2	ME113463	0.80	1.17
L-Valine_1	ME113512	0.93	1.07
Furfural diethyl acetal_1	ME113408	0.92	1.08
Pantetheine	ME113610	0.92	1.07
L-2,4-Diaminobutanoate_2	ME113458	0.92	1.07
L-2,4-Diaminobutanoate_1	ME113457	0.92	1.07
(E)-4-(Trimethylammonio)but-2-enoate	ME113063	0.92	1.07
Dimepiperate	ME113381	0.92	1.07
D-Glucarate	ME113368	0.92	1.07
Dehydrospermidine	ME113363	0.92	1.07
Cyclohexane-1,3-dione_3	ME113354	0.92	1.07
Anthranilate	ME113291	0.92	1.07
3-Methylguanine_1	ME113169	0.92	1.07
2-Naphthylamine_1	ME113126	0.92	1.07
3,4-Dihydroxyphenylethyleneglycol_1	ME113137	0.92	1.07
Tolylacetonitrile	ME113729	0.93	1.06
Tetralin_1	ME113719	0.93	1.06
SR95531	ME113698	0.93	1.06
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	ME113064	0.93	1.06
N-Ethylglycocyamine	ME113571	0.93	1.06
N-Acetyl-D-tryptophan	ME113550	0.93	1.06
L-Leucine_1	ME113490	0.93	1.06
L-Homocysteic acid	ME113479	0.93	1.06
L-Aspartate 4-semialdehyde	ME113464	0.93	1.06
Furfural diethyl acetal_3	ME113410	0.93	1.06
5-Aminolevulinate_1	ME113226	0.93	1.06
1-Aminocyclopropane-1-carboxylate	ME113088	0.93	1.06
5,6-Dihydrothymine_1	ME113216	0.93	1.06
L-Methionine	ME113493	0.94	1.06
1-Tridecene-3,5,7,9,11-pentayne	ME113094	0.94	1.06
Isoquinoline_2	ME113452	0.94	1.06
trans-Cinnamate_2	ME113734	0.94	1.05
p-Benzoquinone_1	ME113612	0.94	1.05
Octylamine	ME113597	0.94	1.05
Glycyl-leucine_1	ME113421	0.94	1.05
D-Ribose	ME113395	0.94	1.05
Difenpiramide_1	ME113376	0.94	1.05
Codeinone	ME113341	0.94	1.05
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	ME113181	0.94	1.05
4-Prenylresveratrol	ME113212	0.94	1.05
Phensuximide_3	ME113651	0.95	1.05
N-Acetylornithine_2	ME113562	0.95	1.05
Capillanol	ME113332	0.95	1.05
Histamine	ME113434	0.95	1.05
Tyramine_R2	ME113740	0.88	1.10
3-Sulfomuconate	ME113176	0.88	1.10
L-Threonine_1	ME113508	0.88	1.10
Phendimetrazine_1	ME113646	0.89	1.10
Dihydro-4,4-dimethyl-2,3-furandione_2	ME113379	0.89	1.10
Benzotrichloride	ME113311	0.89	1.10
(9Z)-Hexadecenoic acid_3	ME113060	0.89	1.10
alpha-Methylstyrene_1	ME113280	0.89	1.10
trans-Cinnamate_1	ME113733	0.91	1.08
Methyl 2-diazoacetamidohexonate	ME113526	0.91	1.08
Benzyl 2-methyl-3-oxobutanoate	ME113313	0.91	1.08
Aromatic aldehyde_2	ME113297	0.91	1.08
5-exo-Hydroxy-1,2-campholide	ME113229	0.91	1.08
7-Chloroemodin	ME113253	0.91	1.08
N-Carbamoylputrescine_2	ME113566	0.89	1.09
N-Acetyl-D-fucosamine	ME113549	0.90	1.09
L-Tryptophan	ME113510	0.90	1.09
Indospicine	ME113448	0.90	1.09
Indole_2	ME113439	0.90	1.09
Dihydro-4,4-dimethyl-2,3-furandione_1	ME113378	0.90	1.09
2-Oxosuberate	ME113130	0.90	1.09
Deethylatrazine	ME113362	0.90	1.09
Zeatin	ME113760	0.90	1.08
Terbufos	ME113717	0.90	1.08
L-Valine_2	ME113513	0.90	1.08
N-Carbamoylputrescine_1	ME113565	0.90	1.08
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	ME113732	0.95	1.04
L-Phenylalanine	ME113503	0.95	1.04
Indole_1	ME113438	0.95	1.04
10-fluoro-capric acid_1	ME113076	0.95	1.04
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1	ME113194	0.95	1.04
N-Amidino-L-glutamate_2	ME113564	0.96	1.04
Isoquinoline_3	ME113453	0.96	1.04
Etodolac	ME113399	0.96	1.04
4-Phenethylphenol	ME113211	0.96	1.04
Aromatic aldehyde_1	ME113296	0.96	1.04
Trp-P-1_R2	ME113738	0.97	1.03
Pyridoxal_2	ME113673	0.97	1.03
Cyclohexylsulfamate	ME113355	0.97	1.03
Cyclohexane-1,3-dione_2	ME113353	0.97	1.03
5-Acetamidopentanoate_3	ME113224	0.97	1.03
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2	ME113049	0.97	1.03
4-Guanidinobutanoate_2	ME113199	0.97	1.03
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol	ME113104	0.97	1.03
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	ME113152	0.97	1.03
Promegestone_1	ME113664	0.96	1.03
4-Acetamidobutanoate_2	ME113186	0.96	1.03
5-Hydroxypentanoate_1	ME113236	0.96	1.03
Pyridoxal_1	ME113672	0.98	1.02
Phendimetrazine_2	ME113647	0.98	1.02
N-Hydroxy-L-valine	ME113574	0.98	1.02
Lycodine	ME113514	0.98	1.02
L-Leucine_2	ME113491	0.98	1.02
Indoleamine	ME113446	0.98	1.02
Bakkenolide A_2	ME113301	0.98	1.02
Acutumidine	ME113265	0.98	1.02
5-Aminolevulinate_3	ME113228	0.98	1.02
2-Thiophenesulfonamide	ME113134	0.98	1.02
2-Ethylhexyl phthalate_3	ME113121	0.98	1.02
2-Hydroxymethylclavam	ME113125	0.98	1.02
Tetralin_2	ME113720	0.97	1.02
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3	ME113716	0.97	1.02
Pentachloroethane	ME113640	0.97	1.02
Benzimidazole	ME113308	0.97	1.02
Homostachydrine	ME113436	0.97	1.02
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME113090	0.98	1.01
2-Chloro-cis,cis-muconate	ME113117	0.98	1.01
Uridine_R1	ME113745	0.99	1.01
Tolmetin	ME113727	0.99	1.01
Phenylethyl alcohol_2	ME113653	0.99	1.01
Phenmetrazine	ME113648	0.99	1.01
N,N^-Diethylthiourea	ME113539	0.99	1.01
Mercury(2+)	ME113523	0.99	1.01
L-Methionine S-oxide_3	ME113496	0.99	1.01
Linoleate_3	ME113488	0.99	1.01
Creatine	ME113347	0.99	1.01
2,5-Dichloro-4-oxohex-2-enedioate	ME113110	0.99	1.01
3-Chloro-D-alanine_2	ME113154	0.99	1.01
Dodecanamide	ME113391	1.01	1.00
Zinnimidine_R1	ME113762	1.00	1.00
Uracil_R3	ME113743	1.00	1.00
S-Acetylthioethanolamine	ME113684	1.00	1.00
N-Dimethyl-2-aminoethylphosphonate_1	ME113569	1.00	1.00
Lichenin_1	ME113480	1.00	1.00
Glutarate_2	ME113418	1.00	1.00
Glutarate_1	ME113417	1.00	1.00
Dihydro-4,4-dimethyl-2,3-furandione_3	ME113380	1.00	1.00
D-Galactose 6-sulfate	ME113367	1.00	1.00
Dethiobiotin_2	ME113366	1.00	1.00
Cinnamaldehyde_2	ME113336	1.00	1.00
7-oxo-11E,13-Tetradecadienoic acid_1	ME113254	1.00	1.00
4-Hydroxybutanoic acid_1	ME113202	1.00	1.00
3-Methyleneoxindole_1	ME113166	1.00	1.00
3-Methyl-2-oxobutanoic acid	ME113165	1.00	1.00
3,4-Methylenedioxymethamphetamine_2	ME113140	1.00	1.00
2-Furoate	ME113122	1.00	1.00
11H-Benz[bc]aceanthrylene	ME113083	1.00	1.00
2,3-Dimethylmaleate	ME113102	1.00	1.00
4-Hydroxyphenylacetate	ME113205	0.99	1.00
Succinic anhydride_1	ME113704	0.99	1.00
Taurine_1	ME113708	1.01	0.99
(S)-2-Hydroxypropylphosphonate	ME113067	1.01	0.99
Pyridoxamine	ME113675	1.01	0.99
Phosphodimethylethanolamine	ME113654	1.01	0.99
N-Acetylmethionine	ME113560	1.01	0.99
Ethephon	ME113397	1.01	0.99
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2	ME113195	1.01	0.99
4,7-dioxo-octanoic acid	ME113184	1.01	0.99
10E,12E-tetradecadiene-4,6-diynoic acid	ME113075	1.01	0.99
2,4-DP	ME113109	1.01	0.99
Thymine_2	ME113725	1.02	0.99
gamma-Coniceine	ME113413	1.02	0.99
Bis(chloromethyl) ether	ME113319	1.02	0.99
5-Hydroxyindoleacetate_2	ME113232	1.02	0.99
1,2,3-Trihydroxybenzene	ME113071	1.02	0.99
2-Aceto-2-hydroxybutanoate	ME113112	1.02	0.99
Deisopropyldeethylatrazine	ME113364	1.02	0.98
Cucurbic acid_2	ME113351	1.02	0.98
Allidochlor_1	ME113273	1.02	0.98
5-Aminolevulinate_2	ME113227	1.02	0.98
3-Dehydroshikimate	ME113158	1.02	0.98
2,4,6-Trichloro-4^-biphenylol	ME113105	1.02	0.98
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_1	ME113141	1.02	0.98
Hexadecasphinganine	ME113430	1.03	0.98
7-oxo-11E,13-Tetradecadienoic acid_2	ME113255	1.03	0.98
Cucurbic acid_1	ME113350	1.03	0.98
3-(2-Hydroxyphenyl)propanoate	ME113135	1.04	0.97
Dinitrochlorobenzene_1	ME113383	1.04	0.97
Zingerone	ME113761	1.03	0.97
Xestoaminol C_R2	ME113757	1.03	0.97
Phytuberin	ME113656	1.03	0.97
L-Cysteate	ME113469	1.03	0.97
L-2-Aminoadipate_2	ME113460	1.03	0.97
5-Sulfosalicylate_2	ME113245	1.03	0.97
Furfural diethyl acetal_2	ME113409	1.03	0.97

Factors:

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

Data matrix