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/Peak Area (Analysis AN000495)

Metabolite	Structure	F1	F2
Buprenorphine_3	ME111924	1.00	NA
2-(3^-Methylthio)propylmalic acid	ME111692	1.00	NA
4^-Methoxychalcone	ME111804	1.00	NA
4-Guanidinobutanal_2	ME111794	2.32	0.12
N-Methylpelletierine	ME112178	1.59	0.47
(6Z,9Z,12Z)-Octadecatrienoic acid_3	ME111653	1.61	0.45
Benzotrichloride	ME111908	1.61	0.46
Coumarin_2	ME111942	1.61	0.46
Botrydial	ME111919	1.68	0.39
4-Hydroxy-4-methylglutamate	ME111798	1.65	0.42
(3-Arylcarbonyl)-alanine_1	ME111643	1.65	0.43
4,6^-Epoxyorotiniflavan-4-ol	ME111780	1.64	0.43
8-Deoxylactucin	ME111853	1.62	0.29
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1	ME111695	1.75	0.42
Dodemorph	ME111989	1.77	0.31
Xanomeline	ME112352	1.76	0.32
Isoquinoline_3	ME112050	1.74	0.34
D-Glucarate	ME111965	1.71	0.37
Calystegin B2	ME111928	1.72	0.36
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	ME112225	1.72	0.36
Cyclohexane-1,3-dione_3	ME111951	1.84	0.25
2-Oxoglutaramate	ME111726	1.86	0.24
Nitrilacarb	ME112175	1.86	0.24
Maculosin	ME112114	1.87	0.23
4-Phenethylphenol	ME111808	1.87	0.23
5-(2-Hydroxyethyl)-4-methylthiazole	ME111812	1.87	0.23
1-Phenylethylamine	ME111689	2.01	0.10
3-amino-octanoic acid_2	ME111748	2.05	0.07
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3	ME112313	2.03	0.08
N-Cyclohexylformamide	ME112164	1.99	0.12
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1	ME111791	1.98	0.13
Glutarate_2	ME112015	1.98	0.13
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1	ME111703	1.97	0.14
L-Methionine S-oxide_2	ME112092	1.97	0.13
L-2,4-Diaminobutanoate_2	ME112055	1.95	0.16
(3-Arylcarbonyl)-alanine_2	ME111644	1.94	0.16
Karwinaphthol B	ME112052	1.94	0.16
N-Dimethyl-2-aminoethylphosphonate_2	ME112167	1.91	0.19
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	ME111686	1.93	0.17
4-Nitrophenol	ME111805	1.92	0.18
Quinoxaline-2-carboxylic acid	ME112274	1.19	0.83
5-Aminolevulinate_3	ME111825	1.19	0.83
1-Tridecene-3,5,7,9,11-pentayne	ME111691	1.19	0.83
5,6-Dihydrouracil	ME111815	1.19	0.83
Pregnenolone acetate_1	ME112257	1.19	0.84
N6-Methyl-L-lysine	ME112145	1.18	0.84
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME111687	1.18	0.84
L-Glutamate_1	ME112071	1.18	0.84
S-Acetylthioethanolamine	ME112281	1.20	0.82
PC(16:1(9E)/0:0)	ME112216	1.20	0.82
Allidochlor_2	ME111871	1.20	0.82
Methyl methanesulfonate	ME112125	1.20	0.82
L-Arginine	ME112058	1.21	0.82
(9Z)-Hexadecenoic acid_4	ME111658	1.21	0.81
N-Acetyl-L-phenylalanine	ME112156	1.21	0.81
Pyridoxal_3	ME112271	1.22	0.81
O-Propanoylcarnitine	ME112198	1.22	0.81
9,12,13-TriHOME_2	ME111855	1.22	0.81
L-Serine	ME112104	1.22	0.81
Nicotinamide	ME112173	1.22	0.80
Abacavir	ME111859	1.22	0.80
Corticosterone_1	ME111939	1.22	0.80
Thiomorpholine 3-carboxylate	ME112318	1.23	0.79
Xestoaminol C_2	ME112354	1.23	0.80
Pantothenate	ME112208	1.23	0.80
Cucurbic acid_1	ME111947	1.23	0.80
L-Asparagine_2	ME112060	1.23	0.80
O-Butanoylcarnitine	ME112192	1.30	0.73
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2	ME112312	1.30	0.73
9,12,13-TriHOME_1	ME111854	1.29	0.74
L-Octanoylcarnitine	ME112094	1.29	0.74
4-Dodecylphenol_1	ME111789	1.29	0.75
N1-Methyl-2-pyridone-5-carboxamide_1	ME112138	1.28	0.75
L-Asparagine_1	ME112059	1.28	0.75
5-Acetamidopentanoate_2	ME111820	1.28	0.75
Bixin_1	ME111917	1.28	0.75
4-Hydroxy-3-nitrosobenzamide	ME111797	1.24	0.79
Isoquinoline_2	ME112049	1.24	0.78
Magnoshinin	ME112115	1.24	0.78
Urate	ME112341	1.27	0.76
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME111688	1.27	0.76
Prinomide	ME112259	1.27	0.76
Zinnimidine_2	ME112360	1.26	0.77
PA(17:2(9Z,12Z)/0:0)	ME112205	1.26	0.77
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	ME111700	1.26	0.77
3-Methyl-2-oxobutanoic acid	ME111762	1.26	0.77
2-Hydroxyethylphosphonate	ME111721	1.28	0.45
Phensuximide_1	ME112246	1.34	0.70
L-Methionine S-oxide_1	ME112091	1.34	0.70
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	ME112233	1.34	0.70
2-Naphthylamine_1	ME111723	1.36	0.68
Aromatic aldehyde_1	ME111893	1.36	0.68
N-Acetyl-L-glutamate 5-semialdehyde	ME112148	1.35	0.69
Clopyralid	ME111937	1.35	0.69
Allantoin	ME111869	1.35	0.69
4-Ketocyclophosphamide	ME111803	1.35	0.69
9,12-Hexadecadienylcarnitine	ME111857	1.35	0.69
3-Sulfopyruvate_2	ME111775	1.34	0.74
Succinic anhydride_2	ME112302	1.32	0.72
Phensuximide_3	ME112248	1.32	0.72
Pregnenolone acetate_2	ME112258	1.32	0.72
L-Pipecolate_1	ME112101	1.33	0.71
3-Methyleneoxindole_3	ME111765	1.33	0.71
Isovalerylcarnitine	ME112051	1.33	0.71
(+)-Bornane-2,5-dione_1	ME111640	1.32	0.71
CCCP	ME111930	1.32	0.71
2,5-Dioxopentanoate	ME111708	1.37	0.67
Biotin	ME111915	1.37	0.67
Peganine_1	ME112235	1.39	0.65
L-Iduronate 2-sulfate_1	ME112079	1.39	0.65
N-Acetyl-L-leucine_1	ME112150	1.39	0.65
N-Acetyl-L-leucine_2	ME112151	1.39	0.66
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1	ME112311	1.38	0.66
2-Aminomuconate	ME111713	1.38	0.66
(S)-2-Hydroxypropylphosphonate	ME111664	1.38	0.66
Uridine_2	ME112343	1.44	0.61
Butabarbital_1	ME111925	1.43	0.62
Metalaxyl	ME112121	1.43	0.62
2-(6^-Methylthio)hexylmalic acid	ME111693	1.40	0.64
Methylimidazoleacetic acid_2	ME112127	1.40	0.64
Otonecine_5	ME112203	1.41	0.64
Phenylethyl alcohol_2	ME112250	1.41	0.64
Phenylethyl alcohol_1	ME112249	1.42	0.63
5-Acetamidopentanoate_1	ME111819	1.42	0.63
3-Chloro-D-alanine_1	ME111750	1.42	0.63
4-Pyridoxate	ME111810	1.42	0.63
5-Guanidino-2-oxopentanoate	ME111827	1.41	0.63
Xestoaminol C_1	ME112353	1.41	0.63
N-Acetyl-L-histidine	ME112149	1.45	0.60
Spermidine	ME112289	1.46	0.59
1^-Acetoxyeugenol acetate_1	ME111683	1.46	0.59
3-Hydroxy-L-glutamate	ME111760	1.46	0.59
Phensuximide_2	ME112247	1.49	0.56
Crotanecine_2	ME111946	1.47	0.58
Mandelonitrile	ME112116	1.48	0.58
5-O-Methyl-myo-inositol	ME111839	1.48	0.57
Cyclohexane-1,3-dione_1	ME111949	1.48	0.57
1^-Acetoxyeugenol acetate_2	ME111684	1.40	0.54
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME111710	1.38	0.57
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_4	ME111650	1.57	0.56
Indole_2	ME112036	1.57	0.50
N5-Phenyl-L-glutamine_2	ME112141	1.56	0.50
5-Sulfosalicylate_3	ME111843	1.56	0.50
D-Galactose 6-sulfate	ME111964	1.56	0.50
Serotonin	ME112287	1.51	0.55
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol	ME111701	1.55	0.51
Dinitrochlorobenzene_2	ME111981	1.54	0.52
Pirbuterol	ME112255	1.54	0.52
N-Acetyl-D-tryptophan	ME112147	1.52	0.54
alpha-Sinensal_2	ME111883	1.53	0.53
Dienestrol_2	ME111969	1.53	0.53
2-Aminoadenosine	ME111712	1.48	0.45
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2	ME111936	1.44	0.50
N6-(delta2-Isopentenyl)-adenine_1	ME112142	0.92	1.08
Zeatin	ME112357	0.91	1.08
Pseudopelletierine	ME112267	0.91	1.08
N-Dimethyl-2-aminoethylphosphonate_1	ME112166	0.91	1.08
Deisopropyldeethylatrazine	ME111961	0.91	1.08
L-Leucine_1	ME112087	0.91	1.08
Uracil_2	ME112339	0.89	1.09
Promegestone_1	ME112261	0.90	1.08
Tyramine_2	ME112337	0.90	1.09
Phendimetrazine_1	ME112243	0.90	1.09
PE(20:3(8Z,11Z,14Z)/0:0)	ME112232	0.90	1.09
N-Acetylornithine_1	ME112158	0.90	1.09
N-Acetyl-D-fucosamine	ME112146	0.90	1.09
L-Tryptophan	ME112107	0.90	1.09
L-Homocysteic acid	ME112076	0.90	1.09
Fexofenadine	ME112003	0.90	1.09
Dimepiperate	ME111978	0.90	1.09
Deethylatrazine	ME111959	0.90	1.09
Cyclohexane-1,3-dione_2	ME111950	0.90	1.09
5-exo-Hydroxy-1,2-campholide	ME111826	0.90	1.09
5-Aminolevulinate_1	ME111823	0.90	1.09
2-Oxosuberate	ME111727	0.90	1.09
2R-aminoheptanoic acid_2	ME111729	0.90	1.09
Tetralin_1	ME112316	0.93	1.07
Benzimidazole	ME111905	0.93	1.07
(9Z)-Hexadecenoic acid_1	ME111655	0.93	1.07
1,2,6-Hexanetriol	ME111669	0.93	1.07
3-Sulfopyruvate_1	ME111774	0.93	1.07
N-Amidino-L-glutamate_1	ME112160	0.92	1.07
N-Acetylornithine_2	ME112159	0.92	1.07
N-Acetylmethionine	ME112157	0.92	1.07
Glutarate_1	ME112014	0.92	1.07
(-)-Annonaine	ME111638	0.92	1.07
Buclizine	ME111920	0.92	1.07
Succinic anhydride_1	ME112301	0.94	1.06
Sphingosine 1-phosphate	ME112294	0.94	1.06
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	ME111661	0.94	1.06
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	ME112234	0.94	1.06
N-Acetyl-L-leucine_6	ME112155	0.94	1.06
Methohexital	ME112122	0.94	1.06
(E)-4-(Trimethylammonio)but-2-enoate	ME111660	0.94	1.06
Dihydro-4,4-dimethyl-2,3-furandione_2	ME111976	0.94	1.06
2-Ethylhexyl phthalate_2	ME111717	0.94	1.06
Cyclohexylsulfamate	ME111952	0.94	1.06
N-Ethylglycocyamine	ME112168	0.93	1.06
L-Methionine	ME112090	0.93	1.06
L-Histidine	ME112075	0.93	1.06
4-Amino-2-hydroxylamino-6-nitrotoluene_1	ME111784	0.93	1.06
D-Ribose	ME111992	0.93	1.06
Urocanate_2	ME112345	0.94	1.05
Nicotinate	ME112174	0.94	1.05
N-Carbamoylputrescine_1	ME112162	0.94	1.05
L-Valine_1	ME112109	0.94	1.05
Calcium glycerophosphate	ME111927	0.94	1.05
Furfural diethyl acetal_1	ME112005	0.94	1.05
2-Chloro-cis,cis-muconate	ME111714	0.95	1.04
5-Hydroxypentanoate_1	ME111833	0.95	1.04
Spermine	ME112290	0.95	1.05
Phosphodimethylethanolamine	ME112251	0.95	1.05
Octylamine	ME112194	0.95	1.05
L-Phenylalanine	ME112100	0.95	1.05
Allantoate	ME111868	0.95	1.05
4-Prenylresveratrol	ME111809	0.95	1.05
5,6-Dihydrothymine_2	ME111814	0.95	1.05
Trp-P-1_2	ME112335	0.98	1.02
Tetralin_2	ME112317	0.98	1.02
Succinate_1	ME112299	0.98	1.02
L-Threonine_1	ME112105	0.98	1.02
L-Citrulline_1	ME112064	0.98	1.02
Indoleamine	ME112043	0.98	1.02
Difenpiramide_1	ME111973	0.98	1.02
11H-Benz[bc]aceanthrylene	ME111680	0.98	1.02
3,4-Dihydroxyphenylethyleneglycol_2	ME111735	0.98	1.02
Tolmetin	ME112324	0.97	1.02
L-Leucine_2	ME112088	0.97	1.02
3-Deoxyvitamin D3	ME111756	0.97	1.02
Dopamine	ME111990	0.97	1.02
trans-Cinnamate_2	ME112331	0.97	1.03
trans-Cinnamate_1	ME112330	0.97	1.03
Thymine_1	ME112321	0.97	1.03
Mercury(2+)	ME112120	0.97	1.03
Glycyl-leucine_1	ME112018	0.97	1.03
Furfural diethyl acetal_2	ME112006	0.97	1.03
7,8-Diaminononanoate	ME111849	0.97	1.03
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	ME111749	0.97	1.03
3-Methyleneoxindole_1	ME111763	0.97	1.03
Diethylpropion	ME111972	0.96	1.03
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	ME111778	0.96	1.03
4-Guanidinobutanoate_2	ME111796	0.96	1.03
4-Hydroxybutanoic acid_1	ME111799	0.96	1.03
Prostaglandin H2_2	ME112264	0.96	1.05
p-Benzoquinone_1	ME112209	0.96	1.04
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME112170	0.96	1.04
Metipranolol_2	ME112130	0.96	1.04
alpha-Methylstyrene_2	ME111878	0.96	1.04
Homostachydrine	ME112033	0.96	1.04
N-Acetyl-L-leucine_5	ME112154	1.01	0.99
L-Valine_2	ME112110	1.01	0.99
Diethylene glycol_1	ME111970	1.01	0.99
L-2-Aminoadipate_2	ME112057	1.01	0.99
Thymine_2	ME112322	1.02	0.99
Saccharin sodium anhydrous	ME112280	1.02	0.98
O-Methylptelefolonium	ME112197	1.02	0.98
N-Acetyl-L-leucine_4	ME112153	1.02	0.98
Lichenin_2	ME112078	1.02	0.98
L-Glutamate_3	ME112073	1.02	0.98
Dodecanamide	ME111988	1.02	0.98
3,4-Methylenedioxymethamphetamine_2	ME111737	1.02	0.98
Benzoyl phosphate	ME111909	1.02	0.98
Zingerone	ME112358	1.00	1.00
Uridine_1	ME112342	1.00	1.00
Sodium chlorate	ME112288	1.00	1.00
Phenmetrazine	ME112245	1.00	1.00
L-2,4-Diaminobutanoate_1	ME112054	1.00	1.00
Codeinone	ME111938	1.00	1.00
Bis(chloromethyl) ether	ME111916	1.00	1.00
Acutumidine	ME111862	1.00	1.00
7-oxo-11E,13-Tetradecadienoic acid_2	ME111852	1.00	1.00
2-Naphthylamine_2	ME111724	1.00	1.00
4-Hydroxyphenylacetate	ME111802	1.00	1.00
3-Sulfomuconate	ME111773	0.98	1.01
Uracil_1	ME112338	0.99	1.01
Phendimetrazine_2	ME112244	0.99	1.01
N,N^-Diphenyl-p-phenylenediamine	ME112137	0.99	1.01
N,N^-Diethylthiourea	ME112136	0.99	1.01
Lichenin_1	ME112077	0.99	1.01
Deazaflavin	ME111956	0.99	1.01
Creatine	ME111944	0.99	1.01
Cinnamaldehyde_2	ME111933	0.99	1.01
Bakkenolide A_2	ME111898	0.99	1.01
Capillanol	ME111929	0.99	1.01
Nordazepam	ME112185	1.05	0.98
alpha-Sinensal_1	ME111882	1.04	0.96
alpha-Methylstyrene_1	ME111877	1.04	0.96
4-Aminobiphenyl	ME111786	1.04	0.96
2-Thiophenesulfonamide	ME111731	1.04	0.96
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate	ME111694	1.04	0.96
2,3-Dimethylmaleate	ME111699	1.04	0.96
Phytuberin	ME112253	1.05	0.96
Dinitrochlorobenzene_1	ME111980	1.05	0.96
5-Hydroxy-L-tryptophan_1	ME111830	1.05	0.96
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid	ME111725	1.05	0.96
4-Guanidinobutanal_1	ME111793	1.05	0.96
Timolol	ME112323	1.03	0.97
Ipazine	ME112046	1.03	0.97
Aminoimidazole ribotide	ME111884	1.03	0.97
Dehydrospermidine	ME111960	1.03	0.97
Uracil_3	ME112340	1.04	0.97
Tolylacetonitrile	ME112326	1.04	0.97
N-stearoyl tyrosine	ME112188	1.04	0.97
Prostaglandin H2_1	ME112263	1.04	0.97
Etidronic acid	ME111995	1.06	0.94
(6Z,9Z,12Z)-Octadecatrienoic acid_1	ME111651	1.06	0.94
Dihydro-4,4-dimethyl-2,3-furandione_1	ME111975	1.06	0.94
3-Chloro-D-alanine_3	ME111752	1.05	0.95
Ethephon	ME111994	1.05	0.95
Levetiracetam	ME112070	1.06	0.95
Allidochlor_1	ME111870	1.06	0.95
(8Z,11Z,14Z)-Icosatrienoic acid	ME111654	1.06	0.95
4-Aminobutanoate	ME111787	1.06	0.95
5-Sulfosalicylate_2	ME111842	1.06	0.95
Dihydro-4,4-dimethyl-2,3-furandione_3	ME111977	1.08	0.93
Crotanecine_1	ME111945	1.08	0.93
4-Guanidinobutanoate_1	ME111795	1.08	0.93
10-fluoro-capric acid_1	ME111673	1.08	0.93
4,10-undecadiynal	ME111779	1.08	0.93
7-Chloroemodin	ME111850	1.07	0.93
L-Kynurenine	ME112086	1.07	0.93
Riboflavin	ME112279	1.07	0.94
N5-Phenyl-L-glutamine_1	ME112140	1.07	0.94
Dethiobiotin_2	ME111963	1.07	0.94
Indospicine	ME112045	1.07	0.94
THTC	ME112320	1.13	0.88
Pyridoxamine	ME112272	1.13	0.88
L-Methionine S-oxide_3	ME112093	1.13	0.88
L-Palmitoylcarnitine	ME112099	1.13	0.88
5-Hydroxy-L-tryptophan_2	ME111831	1.14	0.87
N-Cyclopropylammeline	ME112165	1.14	0.88
Methyl acetyl ricinoleate	ME112124	1.14	0.88
Methyl 2-diazoacetamidohexonate	ME112123	1.14	0.88
10E,12E-tetradecadiene-4,6-diynoic acid	ME111672	1.14	0.88
Furfural diethyl acetal_3	ME112007	1.14	0.88
3-amino-octanoic acid_1	ME111747	1.15	0.87
N-Methylhistamine	ME112177	1.15	0.87
O-Decanoyl-L-carnitine	ME112195	1.15	0.86
Tolmetin sodium	ME112325	1.15	0.86
3-Chloro-D-alanine_2	ME111751	1.16	0.86
2-Ethylhexyl phthalate_1	ME111716	1.17	0.85
Pyridoxal_2	ME112270	1.17	0.85
3-Methylguanine_2	ME111767	1.16	0.85
Cucurbic acid_2	ME111948	1.16	0.85
Leukotriene A4_1	ME112068	1.10	0.87
L-Aspartate 4-semialdehyde	ME112061	1.12	0.89
Hippurate	ME112030	1.12	0.89
3,4-Methylenedioxymethamphetamine_1	ME111736	1.12	0.89
5-Sulfosalicylate_1	ME111841	1.12	0.89
Pentachloroethane	ME112237	1.12	0.90
N-Acetyl-L-leucine_3	ME112152	1.12	0.90
N6-(delta2-Isopentenyl)-adenine_2	ME112143	1.12	0.90
alpha-Erythroidine	ME111873	1.12	0.90
Aromatic aldehyde_2	ME111894	1.12	0.90
Indole_1	ME112035	1.11	0.91
Zinnimidine_1	ME112359	1.11	0.90
THTA	ME112319	1.11	0.90
Tetrahydropteridine	ME112315	1.11	0.90
N-stearoyl serine	ME112187	1.11	0.90
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1	ME111935	1.11	0.90
5-Ureido-4-imidazole carboxylate_1	ME111844	1.11	0.90
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_1	ME111738	1.11	0.90
5,7,9,11,13-tetradecapentaenoic acid_1	ME111816	1.11	0.90
Precocene II	ME112256	1.09	0.92
Lycodine	ME112111	1.09	0.92
L-Cysteate	ME112066	1.09	0.92
Indole_4	ME112038	1.09	0.92
Anthranilate	ME111888	1.09	0.92
alpha-Oxo-benzeneacetic acid	ME111879	1.09	0.92
5-L-Glutamyl-taurine	ME111835	1.09	0.92
4-Vinylcyclohexene	ME111811	1.09	0.92
2,4,6-Trichloro-4^-biphenylol	ME111702	1.09	0.92
4-Cumylphenol	ME111788	1.09	0.92
3-tert-Butyl-5-methylcatechol_1	ME111776	1.10	0.92
Tridecanamide	ME112332	1.10	0.91
PC(O-16:0/3:0)	ME112227	1.10	0.91
Octanoic acid	ME112193	1.10	0.91
L-Iduronate 2-sulfate_2	ME112080	1.10	0.91
7-oxo-11E,13-Tetradecadienoic acid_1	ME111851	1.10	0.91
5-Hydroxypentanoate_2	ME111834	1.10	0.91
1,2,3-Trihydroxybenzene	ME111668	1.10	0.91
3-Methylguanine_1	ME111766	1.10	0.91
PC(15:0/0:0)_2	ME112213	0.88	1.11
3-Ketosphingosine	ME111761	0.88	1.11
D-Lysopine	ME111985	0.88	1.11
Histamine	ME112031	0.87	1.11
L-Proline	ME112103	0.87	1.11
L-Glutamate_2	ME112072	0.88	1.10
N-Hydroxy-L-valine	ME112171	0.89	1.10
Isodomedin	ME112047	0.85	1.11
Pulcherriminic acid	ME112268	0.85	1.13
Indole-3-acetaldehyde_2	ME112040	0.85	1.13
L-Carnitine	ME112063	0.85	1.13
N(pi)-Methyl-L-histidine	ME112135	0.86	1.13
Mannitol	ME112117	0.86	1.13
L-Tyrosine	ME112108	0.86	1.13
Diethylene glycol_2	ME111971	0.86	1.13
2R-aminoheptanoic acid_3	ME111730	0.86	1.13
5-Aminolevulinate_2	ME111824	0.86	1.13
Peganine_2	ME112236	0.86	1.12
Otonecine_1	ME112199	0.86	1.12
Hexadecasphinganine	ME112027	0.86	1.12
Heneicosanedioic acid_1	ME112024	0.86	1.12
3-O-alpha-Mycarosylerythronolide B	ME111768	0.86	1.12
Etodolac	ME111996	0.86	1.12
Otonecine_4	ME112202	0.81	1.17
N-Formimino-L-glutamate	ME112169	0.81	1.17
Fludrocortisone acetate	ME112004	0.81	1.17
Fenoprofen	ME112000	0.81	1.17
Fagomine_1	ME111997	0.81	1.17
2,3,5-Trihydroxytoluene	ME111697	0.81	1.17
3-Methyleneoxindole_2	ME111764	0.81	1.17
Retinoate_1	ME112277	0.82	1.16
Pyridoxal_1	ME112269	0.82	1.16
p-Benzoquinone_2	ME112210	0.82	1.16
Pantetheine	ME112207	0.82	1.16
Indolelactate	ME112044	0.82	1.16
Ammeline	ME111885	0.82	1.16
3-Dehydroshikimate	ME111755	0.82	1.16
4-Hydroxybutanoic acid_3	ME111801	0.82	1.16
S-Allyl-L-cysteine	ME112282	0.83	1.15
L-Citrulline_2	ME112065	0.83	1.15
Hexylamine	ME112028	0.83	1.15
Dinitrochlorobenzene_3	ME111982	0.83	1.15
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2	ME111648	0.83	1.15
2R-aminoheptanoic acid_1	ME111728	0.83	1.15
2,5-Dichloro-4-oxohex-2-enedioate	ME111707	0.83	1.15
2-Amino-9H-pyrido[2,3-b]indole	ME111711	0.83	1.15
N-linoleoyl taurine	ME112176	0.84	1.14
N-Amidino-L-glutamate_2	ME112161	0.84	1.14
Linoleate_3	ME112085	0.84	1.14
Indole-3-acetaldehyde_1	ME112039	0.84	1.14
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME111678	0.84	1.14
Betamethasone	ME111913	0.84	1.14
N-(3,4-Dichlorophenyl)-malonamate	ME112133	0.85	1.14
Glycyl-leucine_2	ME112019	0.85	1.14
N1-Methyl-2-pyridone-5-carboxamide_2	ME112139	0.85	1.14
Oblongolide_2	ME112190	0.80	1.18
(9Z)-Hexadecenoic acid_3	ME111657	0.80	1.18
Indole-3-acetate_2	ME112042	0.80	1.18
Streptobiosamine	ME112298	0.79	1.19
L-Pipecolate_2	ME112102	0.79	1.19
Gymnodimine_1	ME112022	0.79	1.19
4-Amino-2-hydroxylamino-6-nitrotoluene_2	ME111785	0.79	1.19
D-Ribitol 5-phosphate	ME111991	0.79	1.19
Stearoylcarnitine_2	ME112297	0.79	1.18
5-N-Methyloxaluric acid	ME111838	0.79	1.18
alpha-Ribazole	ME111880	0.79	1.18
SR95531	ME112295	0.77	1.20
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1	ME111662	0.77	1.20
Dobutamine	ME111986	0.77	1.20
L-Lysine	ME112089	0.77	1.20
Benz[a]acridine_1	ME111902	0.76	1.22
PE(18:2(9Z,12Z)/0:0)	ME112231	0.76	1.21
5,6-Dihydrothymine_1	ME111813	0.76	1.21
5-Nitro-ortho-anisidine	ME111837	0.76	1.21
PC(O-1:0/16:0)	ME112226	0.77	1.21
5-Methylthiopentanaldoxime	ME111836	0.77	1.21
L-Glutamine	ME112074	0.77	1.21
Agroclavine_1	ME111863	0.73	1.27
PC(22:4(7Z,10Z,13Z,16Z)/0:0)	ME112224	0.72	1.24
L-Threonine_2	ME112106	0.73	1.24
Imazaquin	ME112034	0.73	1.24
Arachidonate_2	ME111891	0.73	1.24
2E,4Z-Heptadien-1-ol	ME111715	0.73	1.24
5-Acetamidopentanoate_3	ME111821	0.73	1.24
Benzofuran	ME111907	0.71	1.25
Cinnamaldehyde_1	ME111932	0.72	1.25
Zearalenone	ME112356	0.76	1.24
Ferricyanide_1	ME112001	0.74	1.23
4-Oxoproline_1	ME111806	0.74	1.23
Buprenorphine_1	ME111922	0.74	1.23
4-Acetamidobutanoate_1	ME111782	0.75	1.22
4-Oxoproline_2	ME111807	0.75	1.23
Trp-P-1_1	ME112334	0.52	1.43
(9Z)-Hexadecenoic acid_2	ME111656	0.52	1.42
Cytidine	ME111953	0.52	1.42
Otonecine_2	ME112200	0.53	1.42
Terbufos	ME112314	0.53	1.42
D-Octopine	ME111987	0.54	1.40
Urocanate_1	ME112344	0.54	1.41
Sulcatone	ME112303	0.54	1.41
Indole_3	ME112037	0.54	1.41
2-Furoate	ME111719	0.54	1.41
3,4-Dihydroxyphenylethyleneglycol_1	ME111734	0.54	1.41
L-2-Aminoadipate_1	ME112056	0.56	1.40
Phthalate	ME112252	0.55	1.40
9-amino-nonanoic acid	ME111858	0.55	1.40
Batrachotoxin	ME111900	0.55	1.40
Butabarbital_2	ME111926	0.60	1.40
Aspartame_1	ME111895	0.59	1.36
1-Aminocyclopropane-1-carboxylate	ME111685	0.60	1.36
N(6)-[(Indol-3-yl)acetyl]-L-lysine	ME112134	0.60	1.36
PC(15:1(9Z)/0:0)	ME112214	0.59	1.37
PC(O-18:1(10E)/2:0)	ME112229	0.59	1.37
Otonecine_3	ME112201	0.58	1.38
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2	ME111646	0.58	1.38
2,3,6-Trihydroxypyridine	ME111698	0.58	1.38
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1	ME111645	0.58	1.38
Coumestrol 3-O-glucoside	ME111943	0.58	1.37
L-Ornithine	ME112097	0.58	1.37
Albafuran A	ME111867	0.57	1.39
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	ME112329	0.56	1.39
alpha-Santonin	ME111881	0.56	1.39
Methylimidazoleacetic acid_1	ME112126	0.56	1.39
3-Oxochola-1,4-dien-24-oic Acid_1	ME111769	0.56	1.38
Tris(butoxyethyl)phosphate	ME112333	0.57	1.37
Oblongolide_1	ME112189	0.57	1.38
2-Hydroxymethylclavam	ME111722	0.57	1.38
Metipranolol_1	ME112129	0.57	1.38
alpha-Ergocryptine	ME111872	0.62	1.29
Anthopleurine	ME111887	0.65	1.35
2,4-DP	ME111706	0.65	1.31
Tyramine_1	ME112336	0.65	1.31
Corticosterone_2	ME111940	0.64	1.32
3-Sulfocatechol	ME111772	0.64	1.32
Benzoate	ME111906	0.64	1.32
Difenpiramide_2	ME111974	0.62	1.32
Apigenin	ME111889	0.61	1.34
Taurine_2	ME112306	0.61	1.34
Succinate_2	ME112300	0.62	1.34
PC(13:0/0:0)	ME112211	0.62	1.34
PS(O-18:0/0:0)_1	ME112265	0.62	1.34
N-Monomethyl-2-aminoethylphosphonate	ME112179	0.64	1.24
Pimelate	ME112254	0.70	1.30
PS(O-18:0/0:0)_2	ME112266	0.71	1.29
Dienestrol_1	ME111968	0.66	1.30
Toxyl angelate_1	ME112327	0.66	1.30
Benzyl 2-methyl-3-oxobutanoate	ME111910	0.67	1.30
2-Hydroxycyclohexan-1-one	ME111720	0.67	1.29
4-Acetamidobutanoate_2	ME111783	0.67	1.29
4,7-dioxo-octanoic acid	ME111781	0.70	1.27
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol	ME111874	0.69	1.27
N6-Acetyl-N6-hydroxy-L-lysine	ME112144	0.69	1.27
Sphingosine_1	ME112292	0.68	1.29
N-Carbamoylputrescine_2	ME112163	0.68	1.29
Sphinganine	ME112291	0.68	1.29
Nicotianamine	ME112172	0.68	1.28
6,8-Dimethyl-6,7,8,9-tetradehydroergoline	ME111846	0.68	1.28
1,8-Dinitropyrene	ME111670	0.68	1.28
4-Dodecylphenol_2	ME111790	0.68	1.28
5-Hydroxy-L-tryptophan_3	ME111832	0.69	1.28
alpha-Ionone_1	ME111875	0.69	1.28
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2	ME111696	0.12	1.15
sarmentogenin	ME112285	NA	1.00
Sannamycin A_2	ME112284	NA	1.00
Sannamycin A_1	ME112283	NA	1.00
Retinal	ME112276	NA	1.00
Quassin	ME112273	NA	1.00
PGH2-EA_2	ME112241	NA	1.00
PGH2-EA_1	ME112240	NA	1.00
Pentadecanoyl-EA_2	ME112239	NA	1.00
Pentadecanoyl-EA_1	ME112238	NA	1.00
PC(18:3(9Z,12Z,15Z)/0:0)_2	ME112220	NA	1.00
Oblongolide_3	ME112191	NA	1.00
N-oleoyl glutamic acid_2	ME112181	NA	1.00
N-oleoyl glutamic acid_1	ME112180	NA	1.00
Lovastatin	ME112098	NA	1.00
Linoleamide_2	ME112082	NA	1.00
Lemobiline	ME112067	NA	1.00
(-)-Jolkinol A	ME111639	NA	1.00
Hoechst 33342	ME112032	NA	1.00
Himbacine	ME112029	NA	1.00
hexadecanedioic acid mono-L-carnitine ester	ME112026	NA	1.00
gamma-L-Glutamyl-D-alanine	ME112012	NA	1.00
gamma-Glutamyl-gamma-aminobutyraldehyde	ME112011	NA	1.00
Epothilone C	ME111993	NA	1.00
Diosgenin_2	ME111984	NA	1.00
Diosgenin_1	ME111983	NA	1.00
Decoside	ME111958	NA	1.00
Debromoaplysiatoxin	ME111957	NA	1.00
Cholesterol sulfate	ME111931	NA	1.00
Buprenorphine_2	ME111923	NA	1.00
(+)-Bornane-2,5-dione_2	ME111641	NA	1.00
Benz[a]acridine_3	ME111904	NA	1.00
Benz[a]acridine_2	ME111903	NA	1.00
Bentazone-sodium	ME111901	NA	1.00
Aspartame_2	ME111896	NA	1.00
Alantolactone_2	ME111866	NA	1.00
9,12,15-Octadecatrien-1-ol	ME111856	NA	1.00
6,8-Dimethyl-6,7-didehydroergoline_2	ME111848	NA	1.00
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3	ME111649	NA	1.00
3-Oxochola-1,4-dien-24-oic Acid_2	ME111770	NA	1.00
3-Dehydroecdysone_2	ME111754	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_5	ME111746	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_4	ME111745	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3	ME111744	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2	ME111743	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1	ME111742	NA	1.00
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_4	ME111741	NA	1.00
3,3^-Dimethylbisphenol A	ME111733	NA	1.00
16-bromo-9E-hexadecenoic acid	ME111682	NA	1.00
14^-apo-beta-Carotenal	ME111681	NA	1.00
10-fluoro-capric acid_4	ME111676	NA	1.00
10-fluoro-capric acid_2	ME111674	NA	1.00
10-fluoro-capric acid_3	ME111675	NA	1.00
L-Olivosyl-oleandolide_1	ME112095	0.04	2.09
L-Olivosyl-oleandolide_2	ME112096	0.11	2.02
alpha-Ionone_2	ME111876	0.11	1.59
Promegestone_2	ME112262	0.12	1.68
(S)-ATPA_1	ME111665	0.14	1.67
GV 150013X	ME112021	0.13	1.62
Sulfoglycolithocholic acid	ME112304	0.15	1.64
3-Dehydroecdysone_1	ME111753	0.05	1.68
Biochanin A	ME111914	0.04	1.64
Felbamate	ME111999	0.03	1.65
3-tert-Butyl-5-methylcatechol_2	ME111777	0.05	1.74
Taurodeoxycholate_2	ME112310	0.00	1.71
Taurocholate_2	ME112308	0.24	1.76
Xylobiose	ME112355	0.24	1.76
Mebenil	ME112119	0.27	1.73
Vomitoxin	ME112349	0.26	1.74
Ferricyanide_2	ME112002	0.15	1.75
Phenacetin	ME112242	0.15	1.75
Anandamide (18:3, n-6)	ME111886	0.16	1.74
3-(2-Hydroxyphenyl)propanoate	ME111732	0.17	1.74
5-Hydroxyindoleacetate_2	ME111829	0.17	1.74
(S)-ATPA_2	ME111666	0.19	1.72
6,8-Dimethyl-6,7-didehydroergoline_1	ME111847	0.19	1.72
Nona-2,6-dienal_2	ME112183	0.19	1.72
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1	ME111647	0.20	1.71
Taurine_1	ME112305	0.21	1.70
Wyerone	ME112351	0.20	1.70
Leukotriene A4_2	ME112069	0.10	1.90
Methylimidazoleacetic acid_3	ME112128	0.11	1.79
Taurocholate_1	ME112307	0.11	1.79
MG(16:0/0:0/0:0)[rac]	ME112131	0.13	1.77
Abietate_1	ME111860	0.13	1.78
Bufadienolide	ME111921	0.12	1.78
10-Desacetyltaxuyunnanin C	ME111671	0.04	1.82
Fusicoccin H_1	ME112008	0.04	1.82
Fusicoccin H_2	ME112009	0.07	1.79
Lythramine_2	ME112113	0.06	1.84
5-Hydroxyindoleacetate_1	ME111828	0.08	1.81
Bakkenolide A_3	ME111899	0.09	1.81
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	ME111757	0.07	1.83
Lythramine_1	ME112112	0.08	1.82
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_2	ME111739	0.08	1.82
Fagomine_2	ME111998	0.08	1.82
3-Oxochola-1,4-dien-24-oic Acid_3	ME111771	0.07	1.82
Bakkenolide A_1	ME111897	0.07	1.82
Retinoate_2	ME112278	0.43	1.80
(+)-Bornane-2,5-dione_3	ME111642	0.24	1.87
Mansonone C	ME112118	0.28	1.87
gamma-Coniceine	ME112010	0.23	1.68
2-Aceto-2-hydroxybutanoate	ME111709	0.23	1.68
D-Glucose	ME111966	0.23	1.68
Cinnamaldehyde_3	ME111934	0.24	1.67
N-palmitoyl serine	ME112186	0.25	1.67
Linoleate_1	ME112083	0.26	1.66
Urocanate_4	ME112347	0.26	1.65
Proclavaminic acid	ME112260	0.27	1.65
PC(18:3(9Z,12Z,15Z)/0:0)_1	ME112219	0.27	1.65
10-oxo-nonadecanoic acid	ME111677	0.27	1.65
Abietate_2	ME111861	0.27	1.65
2-Ethylhexyl phthalate_3	ME111718	0.30	1.62
5,7,9,11,13-tetradecapentaenoic acid_3	ME111818	0.30	1.62
3-Hydroxyanthranilate	ME111759	0.29	1.63
(9Z)-Octadecenoic acid	ME111659	0.28	1.64
O-hexanoyl-R-carnitine	ME112196	0.29	1.64
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2	ME111704	0.30	1.54
PC(20:3(8Z,11Z,14Z)/0:0)	ME112221	0.32	1.60
5alpha-Androstan-17beta-ol propionate	ME111822	0.31	1.61
5S-HETE di-endoperoxide	ME111840	0.32	1.61
PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	ME112223	0.34	1.58
Paederoside	ME112206	0.35	1.58
Arachidonate_1	ME111890	0.35	1.58
Cytosine_2	ME111955	0.35	1.58
PC(16:0/0:0)	ME112215	0.34	1.59
Schizandrin C	ME112286	0.33	1.59
Agroclavine_2	ME111864	0.36	1.64
Dimethisterone	ME111979	0.39	1.61
Toxyl angelate_2	ME112328	0.39	1.61
PC(O-18:2(9Z,12Z)/2:0)	ME112230	0.40	1.53
Nona-2,6-dienal_1	ME112182	0.41	1.53
PC(20:4(5Z,8Z,11Z,14Z)/0:0)	ME112222	0.41	1.53
Alantolactone_1	ME111865	0.43	1.50
PC(15:0/0:0)_1	ME112212	0.43	1.51
Nona-2,6-dienal_3	ME112184	0.43	1.51
Diacetylaminoazotoluene	ME111967	0.43	1.51
5-Ureido-4-imidazole carboxylate_2	ME111845	0.43	1.51
(6Z,9Z,12Z)-Octadecatrienoic acid_2	ME111652	0.43	1.51
Arnebinol	ME111892	0.42	1.52
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	ME112013	0.42	1.51
Ketoprofen	ME112053	0.42	1.58
1-Pyrroline-2-carboxylate	ME111690	0.37	1.56
Glycyl-leucine_3	ME112020	0.37	1.56
Urocanate_3	ME112346	0.38	1.55
Indole-3-acetate_1	ME112041	0.38	1.55
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	ME111758	0.38	1.55
Heneicosanedioic acid_2	ME112025	0.38	1.55
Glycocholate_1	ME112016	0.42	1.43
Taurodeoxycholate_1	ME112309	0.45	1.41
PC(O-16:1(11Z)/2:0)	ME112228	0.46	1.48
Linoleamide_1	ME112081	0.46	1.48
Gymnodimine_2	ME112023	0.46	1.48
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2	ME111792	0.46	1.48
Coumarin_1	ME111941	0.46	1.48
PC(18:0/0:0)	ME112217	0.45	1.49
Linoleate_2	ME112084	0.44	1.49
Sphingosine_2	ME112293	0.44	1.49
beta-Carboline	ME111912	0.49	1.45
Dethiobiotin_1	ME111962	0.49	1.45
Cytosine_1	ME111954	0.50	1.45
Stearoylcarnitine_1	ME112296	0.50	1.45
(S)-Malate	ME111667	0.48	1.46
PC(18:2(2E,4E)/0:0)	ME112218	0.48	1.46
4-Hydroxybutanoic acid_2	ME111800	0.48	1.46
PA(15:1(9Z)/0:0)	ME112204	0.48	1.46
Bixin_2	ME111918	0.49	1.46
Latia luciferin	ME112062	0.49	1.46
Isoquinoline_1	ME112048	0.48	1.47
Myriocin	ME112132	0.47	1.47
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2	ME111663	0.47	1.47
5,7,9,11,13-tetradecapentaenoic acid_2	ME111817	0.50	1.67
Virol B	ME112348	0.57	1.57
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_3	ME111740	0.11	1.49
Glycocholate_2	ME112017	0.13	1.49
Benzyl nicotinate	ME111911	0.10	1.40
Rehmaionoside C	ME112275	0.07	1.41
11-Chloro-8E,10E-undecadien-1-ol	ME111679	0.32	1.17
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_3	ME111705	0.33	1.30

Factors:

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

Data matrix