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 AN000494)

Metabolite	Structure	F1	F2
Uracil_2	ME111618	0.89	1.09
Tyramine_1	ME111613	0.90	1.09
Phendimetrazine_1	ME111508	0.90	1.09
N-Acetylornithine_2	ME111465	0.90	1.09
N-Acetyl-D-fucosamine	ME111451	0.90	1.09
L-Tryptophan	ME111410	0.90	1.09
L-Homocysteic acid	ME111377	0.90	1.09
Deethylatrazine	ME111255	0.90	1.09
Cyclohexane-1,3-dione_2	ME111246	0.90	1.09
Creatine-D3	ME111239	0.90	1.09
Botrydial_2	ME111211	0.90	1.09
5-exo-Hydroxy-1,2-campholide	ME111122	0.90	1.09
2-Oxosuberate	ME111044	0.90	1.09
5-Aminolevulinate_1	ME111120	0.90	1.09
Corticosterone_2	ME111235	0.90	1.07
Zeatin	ME111634	0.91	1.08
Pseudopelletierine	ME111535	0.91	1.08
N-Dimethyl-2-aminoethylphosphonate_1	ME111471	0.91	1.08
Methyleugenol_1	ME111430	0.91	1.08
L-Leucine_1	ME111387	0.91	1.08
Dimepiperate_1	ME111274	0.91	1.08
Deisopropyldeethylatrazine	ME111257	0.91	1.08
(-)-Annonaine	ME110958	0.91	1.08
Aspartame_1	ME111186	0.91	1.08
Tetralin_1	ME111591	0.93	1.07
Benzimidazole	ME111196	0.93	1.07
(9Z)-Hexadecenoic acid_1	ME110974	0.93	1.07
1,2,6-Hexanetriol	ME110990	0.93	1.07
2-Thiophenesulfonamide	ME111045	0.93	1.07
Oblongolide_3	ME111489	0.92	1.07
N-Amidino-L-glutamate_1	ME111466	0.92	1.07
N-Acetylornithine_1	ME111464	0.92	1.07
Glutarate_2	ME111316	0.92	1.07
N-Acetylmethionine	ME111463	0.92	1.07
Prostaglandin H2_2	ME111534	0.95	1.07
Succinic anhydride_1	ME111574	0.94	1.06
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_2	ME110982	0.94	1.06
Methohexital	ME111425	0.94	1.06
(E)-4-(Trimethylammonio)but-2-enoate	ME110979	0.94	1.06
Cyclohexylsulfamate	ME111248	0.94	1.06
Dihydro-4,4-dimethyl-2,3-furandione_2	ME111272	0.94	1.06
N-Ethylglycocyamine	ME111473	0.93	1.06
L-Serine_2	ME111407	0.93	1.06
L-Methionine	ME111390	0.93	1.06
D-Ribose	ME111289	0.93	1.06
L-Histidine	ME111376	0.93	1.06
Urocanate_3	ME111625	0.94	1.05
Nicotinate	ME111478	0.94	1.05
N-Carbamoylputrescine	ME111468	0.94	1.05
Mercury(2+)	ME111423	0.94	1.05
L-Valine_1	ME111411	0.94	1.05
Furfural diethyl acetal_1	ME111306	0.94	1.05
2-Ethylhexyl phthalate_1	ME111030	0.94	1.05
Calcium glycerophosphate	ME111222	0.94	1.05
Spermine	ME111565	0.95	1.05
Phosphodimethylethanolamine	ME111516	0.95	1.05
Octylamine	ME111492	0.95	1.05
Allantoate	ME111157	0.95	1.05
L-Phenylalanine	ME111402	0.95	1.05
Rhodanine	ME111553	1.01	0.99
N-Acetyl-L-leucine_5	ME111459	1.01	0.99
L-Valine_2	ME111412	1.01	0.99
Diethylene glycol_1	ME111266	1.01	0.99
L-2-Aminoadipate_2	ME111356	1.01	0.99
Thymine_2	ME111598	1.02	0.99
Saccharin sodium anhydrous	ME111555	1.02	0.98
Lichenin_2	ME111379	1.02	0.98
L-Glutamate_3	ME111375	1.02	0.98
Etidronic acid	ME111294	1.02	0.98
Dodecanamide	ME111285	1.02	0.98
3,4-Methylenedioxymethamphetamine_2	ME111052	1.02	0.98
Benzoyl phosphate	ME111200	1.02	0.98
S-Methyl-L-methionine	ME111562	1.03	0.97
N-Acetyl-L-leucine_4	ME111458	1.03	0.97
Dehydrospermidine	ME111256	1.03	0.97
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate	ME111008	1.03	0.97
Aminoimidazole ribotide	ME111173	1.03	0.97
O-Methylptelefolonium	ME111494	1.03	0.98
Timolol	ME111599	1.03	0.98
Uracil_3	ME111619	1.04	0.97
Tolylacetonitrile	ME111602	1.04	0.97
Tussilagine	ME111612	1.04	0.97
L-Octanoylcarnitine_2	ME111395	1.04	0.96
Buclizine	ME111212	1.04	0.96
alpha-Sinensal_1	ME111171	1.04	0.96
alpha-Methylstyrene_1	ME111166	1.04	0.96
5-Sulfosalicylate_1	ME111135	1.04	0.96
4-Aminobiphenyl	ME111087	1.04	0.96
2,3-Dimethylmaleate	ME111013	1.04	0.96
3-Hydroxyanthranilate_1	ME111065	1.04	0.96
Phytuberin_1	ME111518	1.05	0.96
4-Guanidinobutanal_1	ME111094	1.05	0.96
5-Hydroxy-L-tryptophan_1	ME111126	1.05	0.96
Zingerone	ME111635	1.00	1.00
Uridine_1	ME111621	1.00	1.00
Sodium chlorate	ME111563	1.00	1.00
(R)-2,3-Dihydroxypropane-1-sulfonate	ME110980	1.00	1.00
Phenmetrazine	ME111510	1.00	1.00
L-2,4-Diaminobutanoate	ME111354	1.00	1.00
Difenpiramide_1	ME111269	1.00	1.00
Bis(chloromethyl) ether	ME111208	1.00	1.00
4-Hydroxyphenylacetate	ME111102	1.00	1.00
2-Aceto-2-hydroxybutanoate_1	ME111023	1.00	1.00
2-Naphthylamine_2	ME111042	1.00	1.00
Uracil_1	ME111617	0.99	1.01
Prostaglandin H2_1	ME111533	0.99	1.01
Propofol	ME111531	0.99	1.01
Phendimetrazine_2	ME111509	0.99	1.01
Pantetheine	ME111500	0.99	1.01
N,N^-Diphenyl-p-phenylenediamine	ME111441	0.99	1.01
N,N^-Diethylthiourea	ME111440	0.99	1.01
Metipranolol_2	ME111435	0.99	1.01
Linoleate_4	ME111385	0.99	1.01
Lichenin_1	ME111378	0.99	1.01
Creatine	ME111238	0.99	1.01
Capillanol	ME111225	0.99	1.01
Butabarbital_2	ME111219	0.99	1.01
3-Sulfomuconate	ME111077	0.99	1.01
Bakkenolide A_3	ME111190	0.99	1.01
Nordazepam	ME111486	0.95	1.02
Trp-P-1_2	ME111611	0.98	1.02
Tetralin_2	ME111592	0.98	1.02
Succinate_1	ME111572	0.98	1.02
Phensuximide_2	ME111512	0.98	1.02
N-Acetyl-L-leucine_6	ME111460	0.98	1.02
L-Citrulline_1	ME111365	0.98	1.02
Indoleamine	ME111342	0.98	1.02
Arachidonate_2	ME111181	0.98	1.02
3-Methyleneoxindole_1	ME111070	0.98	1.02
11H-Benz[bc]aceanthrylene	ME110995	0.98	1.02
3,4-Dihydroxyphenylethyleneglycol_3	ME111050	0.98	1.02
Tolmetin	ME111600	0.97	1.02
4-Prenylresveratrol	ME111109	0.97	1.02
L-Leucine_2	ME111388	0.97	1.02
2-Chloro-cis,cis-muconate	ME111029	0.95	1.04
p-Benzoquinone_1	ME111502	0.96	1.04
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME111474	0.96	1.04
Homostachydrine	ME111332	0.96	1.04
5,6-Dihydrothymine_2	ME111114	0.96	1.04
alpha-Methylstyrene_2	ME111167	0.96	1.04
trans-Cinnamate_2	ME111607	0.97	1.03
trans-Cinnamate_1	ME111606	0.97	1.03
Thymine_1	ME111597	0.97	1.03
Sphingosine 1-phosphate	ME111569	0.97	1.03
Sebacic acid	ME111560	0.97	1.03
Furfural diethyl acetal_2	ME111307	0.97	1.03
epsilon-Caprolactam	ME111291	0.97	1.03
4-Amino-2-hydroxylamino-6-nitrotoluene_1	ME111084	0.97	1.03
7,8-Diaminononanoate	ME111143	0.97	1.03
Diethylpropion	ME111268	0.96	1.03
Deazaflavin	ME111253	0.96	1.03
Cinnamaldehyde_3	ME111230	0.96	1.03
4-Guanidinobutanoate_2	ME111097	0.96	1.03
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	ME111081	0.96	1.03
S-Allyl-L-cysteine	ME111556	0.83	1.15
L-Citrulline_2	ME111366	0.83	1.15
Hexylamine	ME111327	0.83	1.15
Benzotrichloride	ME111199	0.83	1.15
Bakkenolide A_2	ME111189	0.83	1.15
(9Z)-Hexadecenoic acid_3	ME110976	0.83	1.15
5-Aminolevulinate_2	ME111121	0.83	1.15
2-Ethylhexyl phthalate_4	ME111033	0.83	1.15
2,5-Dichloro-4-oxohex-2-enedioate	ME111021	0.83	1.15
2-Amino-9H-pyrido[2,3-b]indole	ME111026	0.83	1.15
N6-Hydroxy-L-lysine	ME111449	0.81	1.17
Fagomine_1	ME111296	0.81	1.17
alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol	ME111162	0.81	1.17
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME110994	0.81	1.17
3-Methyleneoxindole_3	ME111072	0.81	1.17
Pyridoxal_1	ME111538	0.82	1.16
p-Benzoquinone_2	ME111503	0.82	1.16
O-Decanoyl-L-carnitine	ME111493	0.82	1.16
N6-(delta2-Isopentenyl)-adenine_1	ME111446	0.82	1.16
Fenoprofen	ME111299	0.82	1.16
Ammeline	ME111174	0.82	1.16
4-Hydroxybutanoic acid_2	ME111101	0.82	1.16
2,3,5-Trihydroxytoluene	ME111011	0.82	1.16
3-Dehydroshikimate	ME111062	0.82	1.16
Leukotriene A4_1	ME111370	0.90	1.14
L-Glutamate_2	ME111374	0.88	1.10
Retinoate_1	ME111548	0.88	1.11
4-Amino-5-hydroxymethyl-2-methylpyrimidine	ME111086	0.88	1.11
D-Lysopine_1	ME111281	0.88	1.11
Proline	ME111528	0.87	1.11
Gymnodimine	ME111324	0.87	1.11
Histamine	ME111330	0.87	1.11
Betamethasone	ME111204	0.87	1.12
L-Rhamnose	ME111405	0.87	1.12
Pregnenolone acetate_1	ME111524	0.86	1.12
Peganine_2	ME111505	0.86	1.12
Otonecine_1	ME111496	0.86	1.12
Hexadecasphinganine	ME111326	0.86	1.12
3-Ketosphingosine	ME111068	0.86	1.12
Etodolac	ME111295	0.86	1.12
Tyrosine	ME111615	0.86	1.13
N(pi)-Methyl-L-histidine	ME111439	0.86	1.13
Diethylene glycol_2	ME111267	0.86	1.13
Mannitol	ME111419	0.86	1.13
Indole-3-acetaldehyde_1	ME111338	0.84	1.14
N-Amidino-L-glutamate_2	ME111467	0.84	1.14
Pulcherriminic acid	ME111536	0.85	1.13
L-Carnitine	ME111364	0.85	1.13
Indole-3-acetaldehyde_2	ME111339	0.85	1.13
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_4	ME110970	0.85	1.13
Ethanolamine phosphate	ME111292	0.85	1.13
N-(3,4-Dichlorophenyl)-malonamate	ME111437	0.85	1.14
Glycyl-leucine_1	ME111319	0.85	1.14
N1-Methyl-2-pyridone-5-carboxamide_2	ME111443	0.85	1.14
Phytuberin_2	ME111519	0.73	1.24
L-Threonine_2	ME111409	0.73	1.24
Imazaquin	ME111333	0.73	1.24
4-Amino-2-hydroxylamino-6-nitrotoluene_2	ME111085	0.73	1.24
5-Acetamidopentanoate_3	ME111118	0.73	1.24
Terbufos	ME111586	0.74	1.23
Ferricyanide_1	ME111301	0.74	1.23
Diethyl sulfate	ME111265	0.74	1.23
4-Oxoproline_1	ME111105	0.74	1.23
alpha-Ionone_1	ME111163	0.74	1.23
Zearalenone	ME111633	0.76	1.24
Benz[a]acridine_1	ME111193	0.76	1.22
Magnoshinin	ME111417	0.76	1.22
4-Oxoproline_2	ME111106	0.75	1.23
4-Acetamidobutanoate_1	ME111082	0.75	1.22
Metipranolol_1	ME111434	0.75	1.22
Ubenimex	ME111616	0.71	1.22
Benzofuran	ME111198	0.71	1.25
alpha-Ribazole	ME111169	0.72	1.25
Cinnamaldehyde_1	ME111228	0.72	1.25
Pregnenolone acetate_2	ME111525	0.75	1.17
Terpendole K	ME111589	0.76	1.19
4-Acetamidobutanoate_2	ME111083	0.78	1.20
L-Pipecolate_2	ME111404	0.78	1.20
SR95531	ME111570	0.77	1.20
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1	ME110983	0.77	1.20
Promegestone_1	ME111529	0.77	1.20
L-Lysine	ME111389	0.77	1.20
Indole-3-acetate_2	ME111341	0.77	1.20
Fludrocortisone acetate	ME111305	0.77	1.20
Buprenorphine_1	ME111215	0.77	1.20
Dobutamine	ME111283	0.77	1.20
Pyrimethanil	ME111544	0.76	1.21
Ferimzone	ME111300	0.76	1.21
5,6-Dihydrothymine_1	ME111113	0.76	1.21
5-Nitro-ortho-anisidine	ME111132	0.76	1.21
5-Methylthiopentanaldoxime	ME111131	0.77	1.21
Glutamine	ME111314	0.77	1.21
alpha-Ergocryptine	ME111160	0.79	1.16
Streptobiosamine	ME111571	0.79	1.19
5-N-Methyloxaluric acid	ME111133	0.79	1.18
D-Ribitol 5-phosphate	ME111288	0.79	1.18
Glycyl-leucine_4	ME111322	0.80	1.18
N-Hydroxy-L-valine	ME111475	0.80	1.18
Metalaxyl	ME111424	1.30	0.73
O-Butanoylcarnitine	ME111490	1.30	0.73
N-Acetyl-L-leucine_2	ME111456	1.29	0.74
4-Dodecylphenol_1	ME111090	1.29	0.75
N1-Methyl-2-pyridone-5-carboxamide_1	ME111442	1.28	0.75
L-Asparagine_1	ME111360	1.28	0.75
5-Acetamidopentanoate_2	ME111117	1.28	0.75
9,12,13-TriHOME_1	ME111146	1.28	0.75
Methyl methanesulfonate	ME111429	1.20	0.82
9,12,13-TriHOME_2	ME111147	1.21	0.81
Arginine	ME111182	1.21	0.82
Pyridoxal_3	ME111540	1.21	0.82
Pyridoxal_4	ME111541	1.22	0.81
L-Serine_1	ME111406	1.22	0.81
O-Propanoylcarnitine	ME111495	1.22	0.81
Thiomorpholine 3-carboxylate	ME111593	1.23	0.79
Pantothenate	ME111501	1.23	0.80
L-Asparagine_2	ME111361	1.23	0.80
Cucurbic acid_2	ME111244	1.23	0.80
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME110999	1.23	0.80
Cucurbic acid_1	ME111243	1.23	0.80
Abacavir	ME111148	1.22	0.80
Nicotinamide	ME111477	1.22	0.80
4-Hydroxy-3-nitrosobenzamide	ME111098	1.24	0.79
Quinoxaline-2-carboxylic acid	ME111545	1.24	0.78
L-Octanoylcarnitine_1	ME111394	1.24	0.78
L-Adrenaline_2	ME111358	1.24	0.78
Isoquinoline_3	ME111349	1.24	0.78
Anthocyanin	ME111176	1.24	0.78
Cytosine_1	ME111250	1.24	0.78
Prinomide	ME111526	1.27	0.76
Urate	ME111620	1.27	0.76
Bixin	ME111209	1.25	0.77
3-Methyl-2-oxobutanoic acid	ME111069	1.26	0.77
Zinnimidine_2	ME111637	1.26	0.77
3-tert-Butyl-5-methylcatechol_1	ME111079	1.10	0.92
Octanoic acid	ME111491	1.10	0.91
L-Iduronate 2-sulfate_2	ME111381	1.10	0.91
Indolelactate	ME111343	1.10	0.91
5-Hydroxypentanoate	ME111129	1.10	0.91
3-Methylguanine_1	ME111073	1.10	0.91
1,2,3-Trihydroxybenzene	ME110989	1.10	0.91
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	ME111014	1.10	0.91
Calcidiol	ME111221	1.11	0.92
Indole_1	ME111334	1.11	0.91
Precocene II	ME111523	1.09	0.92
Lycodine	ME111413	1.09	0.92
L-Cysteate_2	ME111368	1.09	0.92
Indole_4	ME111337	1.09	0.92
Anthranilate	ME111178	1.09	0.92
alpha-Oxo-benzeneacetic acid	ME111168	1.09	0.92
alpha-Erythroidine	ME111161	1.09	0.92
4-Cumylphenol	ME111089	1.09	0.92
4-Vinylcyclohexene	ME111111	1.09	0.92
Dihydro-4,4-dimethyl-2,3-furandione_3	ME111273	1.08	0.92
Riboflavin	ME111554	1.08	0.93
Crotanecine_1	ME111240	1.08	0.93
4-Guanidinobutanoate_1	ME111096	1.08	0.93
1-Methyladenosine	ME111000	1.08	0.93
2,4,6-Trichloro-4^-biphenylol	ME111016	1.08	0.93
7-Chloroemodin	ME111144	1.07	0.93
L-Kynurenine	ME111386	1.07	0.93
N5-Phenyl-L-glutamine_1	ME111444	1.07	0.94
Indospicine	ME111344	1.07	0.94
Dethiobiotin_2	ME111259	1.07	0.94
Dinitrochlorobenzene_1	ME111277	1.07	0.94
Thymidine	ME111596	1.05	0.95
N6-(delta2-Isopentenyl)-adenine_2	ME111447	1.05	0.95
Ipazine	ME111346	1.05	0.95
3-Chloro-D-alanine_3	ME111059	1.05	0.95
Ethephon	ME111293	1.05	0.95
Levetiracetam	ME111372	1.06	0.95
Dihydro-4,4-dimethyl-2,3-furandione_1	ME111271	1.06	0.95
4-Aminobutanoate	ME111088	1.06	0.95
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2	ME111232	1.06	0.95
Retinoate_3	ME111550	1.11	0.82
Terbutaline_1	ME111587	1.13	0.88
Pyridoxamine_1	ME111542	1.13	0.88
L-Palmitoylcarnitine	ME111401	1.13	0.88
Calcium salicylate	ME111223	1.13	0.88
L-Methionine S-oxide_3	ME111393	1.13	0.88
5-Hydroxy-L-tryptophan_2	ME111127	1.14	0.87
N-Cyclopropylammeline	ME111470	1.14	0.88
N-Acetyl-L-phenylalanine_1	ME111461	1.14	0.88
Methyl acetyl ricinoleate	ME111428	1.14	0.88
Methyl 2-diazoacetamidohexonate	ME111427	1.14	0.88
Furfural diethyl acetal_3	ME111308	1.14	0.88
(9Z)-Octadecenoic acid	ME110978	1.14	0.88
Allidochlor	ME111159	1.14	0.88
5-L-Glutamyl-taurine	ME111130	1.13	0.89
Pyridoxamine_2	ME111543	1.12	0.89
L-Aspartate 4-semialdehyde	ME111362	1.12	0.89
Hippurate	ME111329	1.12	0.89
3,4-Methylenedioxymethamphetamine_1	ME111051	1.12	0.89
Beclomethasone	ME111191	1.12	0.89
Zinnimidine_1	ME111636	1.11	0.90
THTA	ME111594	1.11	0.90
5-Ureido-4-imidazole carboxylate_1	ME111138	1.11	0.90
Tetrahydropteridine	ME111590	1.11	0.90
Pentachloroethane	ME111506	1.12	0.90
Aromatic aldehyde_2	ME111185	1.12	0.90
Coumarin_1	ME111236	1.12	0.90
N6-Methyl-L-lysine	ME111450	1.18	0.84
L-Glutamate_1	ME111373	1.18	0.84
3-Chloro-D-alanine_2	ME111058	1.18	0.84
Angelicin	ME111175	1.18	0.84
Methomyl	ME111426	1.19	0.83
5,6-Dihydrouracil	ME111115	1.19	0.83
(9Z)-Hexadecenoic acid_4	ME110977	1.19	0.83
3-Methylguanine_2	ME111074	1.16	0.85
Pyridoxal_2	ME111539	1.17	0.85
Isoquinoline_1	ME111347	1.17	0.85
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1	ME111231	1.17	0.85
2-Hydroxycyclohexan-1-one_1	ME111035	1.17	0.85
(8Z,11Z,14Z)-Icosatrienoic acid	ME110973	1.17	0.85
N-Methylhistamine	ME111480	1.15	0.87
5-Sulfosalicylate_3	ME111137	1.15	0.86
N-Acetyl-L-leucine_3	ME111457	1.16	0.86
N-Acetyl-L-leucine_1	ME111455	1.39	0.65
Peganine_1	ME111504	1.39	0.65
Butabarbital_1	ME111218	1.42	0.63
5-Acetamidopentanoate_1	ME111116	1.42	0.63
3-Chloro-D-alanine_1	ME111057	1.42	0.63
4-Pyridoxate	ME111110	1.42	0.63
5-Guanidino-2-oxopentanoate	ME111123	1.41	0.63
Phenylethyl alcohol_1	ME111514	1.41	0.63
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1	ME111583	1.40	0.64
Phenylethyl alcohol_2	ME111515	1.41	0.64
Dienestrol	ME111264	1.41	0.64
Otonecine_3	ME111498	1.41	0.64
Uridine_2	ME111622	1.44	0.61
3-Hydroxy-L-glutamate	ME111067	1.46	0.59
Spermidine	ME111564	1.46	0.59
5-O-Methyl-myo-inositol	ME111134	1.45	0.60
N-Acetyl-L-histidine	ME111454	1.45	0.60
Mandelonitrile	ME111418	1.49	0.56
Crotanecine_2	ME111241	1.47	0.58
Cyclohexane-1,3-dione_1	ME111245	1.48	0.58
1^-Acetoxyeugenol acetate	ME110996	1.34	0.61
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME111025	1.29	0.61
3-Sulfopyruvate	ME111078	1.41	0.73
L-Arginine	ME111359	1.36	0.68
Aromatic aldehyde_1	ME111184	1.36	0.68
2-Naphthylamine_1	ME111041	1.36	0.68
4-Oxocyclohexanecarboxylate	ME111104	1.36	0.68
Biotin	ME111206	1.37	0.67
2,5-Dioxopentanoate	ME111022	1.37	0.67
2-Ethylhexyl phthalate_2	ME111031	1.37	0.67
(S)-2-Hydroxypropylphosphonate	ME110985	1.38	0.66
2-Aminomuconate	ME111028	1.38	0.66
L-Adrenaline_1	ME111357	1.38	0.66
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME111001	1.31	0.72
Succinic anhydride_2	ME111575	1.32	0.72
N-Acetyl-L-phenylalanine_2	ME111462	1.32	0.72
Phensuximide_3	ME111513	1.32	0.72
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2	ME111584	1.33	0.71
L-Pipecolate_1	ME111403	1.33	0.71
3-Methyleneoxindole_2	ME111071	1.33	0.71
Isovalerylcarnitine	ME111351	1.33	0.71
(+)-Bornane-2,5-dione_1	ME110959	1.32	0.71
CCCP	ME111226	1.32	0.71
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_1	ME110981	1.34	0.69
N-Acetyl-L-glutamate 5-semialdehyde	ME111453	1.35	0.69
L-Iduronate 2-sulfate_1	ME111380	1.35	0.69
Allantoin	ME111158	1.35	0.69
Clopyralid	ME111233	1.35	0.69
L-Cysteate_1	ME111367	1.33	0.70
L-Methionine S-oxide_1	ME111391	1.34	0.70
Phensuximide_1	ME111511	1.34	0.70
2-Hydroxyethylphosphonate	ME111037	1.28	0.45
Terbutaline_2	ME111588	1.41	0.45
Lovastatin	ME111400	NA	1.00
Lemobiline	ME111369	NA	1.00
Debromoaplysiatoxin	ME111254	NA	1.00
Buprenorphine_2	ME111216	NA	1.00
Benz[a]acridine_3	ME111195	NA	1.00
Bentazone-sodium	ME111192	NA	1.00
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2	ME111054	NA	1.00
3-Dehydroecdysone_2	ME111061	NA	1.00
Sannamycin A_2	ME111558	0.07	1.10
gamma-Glutamyl-gamma-aminobutyraldehyde	ME111311	0.03	1.11
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2	ME110968	0.03	1.14
6,8-Dimethyl-6,7-didehydroergoline_2	ME111142	0.04	1.14
Retinoate_2	ME111549	0.58	1.59
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2	ME111018	0.32	1.30
Benz[a]acridine_2	ME111194	0.40	1.30
Alantolactone_1	ME111154	0.27	1.41
gamma-L-Glutamyl-D-alanine	ME111312	0.26	1.41
Dimethisterone	ME111276	0.37	1.45
Himbacine	ME111328	0.37	1.42
Promegestone_2	ME111530	0.36	1.42
Glycocholate_1	ME111317	0.42	1.43
Taurodeoxycholate_1	ME111581	0.45	1.41
5-Ureido-4-imidazole carboxylate_2	ME111139	0.43	1.51
Nona-2,6-dienal_3	ME111485	0.43	1.50
Sphingosine_2	ME111568	0.45	1.49
N(6)-[(Indol-3-yl)acetyl]-L-lysine	ME111438	0.44	1.49
Alantolactone_2	ME111155	0.44	1.49
Cryptopleurine	ME111242	0.44	1.49
4-Fluorocyclohexadiene-cis,cis-1,2-diol_2	ME111093	0.46	1.48
Diacetylaminoazotoluene	ME111263	0.46	1.48
Isoquinoline_2	ME111348	0.48	1.47
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2	ME110984	0.47	1.47
1,8-Dinitropyrene_1	ME110991	0.47	1.47
1-Palmitoylglycerophosphocholine	ME111002	0.47	1.47
Agroclavine_2	ME111153	0.50	1.44
Otonecine_2	ME111497	0.50	1.45
Cytosine_2	ME111251	0.50	1.45
Glycyl-leucine_2	ME111320	0.50	1.45
Latia luciferin	ME111363	0.48	1.46
Paederoside	ME111499	0.48	1.46
beta-Carboline	ME111203	0.49	1.45
(S)-Malate	ME110988	0.49	1.46
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1	ME110967	0.35	1.51
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3	ME110969	0.34	1.51
Linoleate_2	ME111383	0.39	1.54
1-Pyrroline-2-carboxylate	ME111004	0.37	1.56
Urocanate_4	ME111626	0.38	1.55
Prostaglandin B1	ME111532	0.38	1.55
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	ME111064	0.38	1.55
Indole-3-acetate_1	ME111340	0.38	1.55
Fexaramine	ME111303	0.39	1.52
Nona-2,6-dienal_1	ME111483	0.41	1.53
Dethiobiotin_1	ME111258	0.40	1.53
Linoleate_3	ME111384	0.40	1.53
Arnebinol	ME111183	0.42	1.52
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	ME111313	0.41	1.52
3-O-alpha-Mycarosylerythronolide B	ME111075	0.45	1.55
Ketoprofen	ME111353	0.42	1.58
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_3	ME111019	0.29	1.55
Xylobiose	ME111632	0.26	1.55
Toxyl angelate_2	ME111604	0.38	1.62
Fexofenadine	ME111304	0.33	1.59
5alpha-Androstan-17beta-ol propionate	ME111119	0.32	1.60
Methyleugenol_2	ME111431	0.33	1.60
Schizandrin C	ME111559	0.36	1.57
Cytosine_3	ME111252	0.35	1.58
Myriocin	ME111436	0.35	1.58
Taurocholate_2	ME111580	0.33	1.67
2-Methylaminoadenosine_1	ME111039	0.29	1.61
2-Ethylhexyl phthalate_3	ME111032	0.30	1.62
3-Hydroxyanthranilate_2	ME111066	0.29	1.63
Linoleate_1	ME111382	0.29	1.63
Aspartame_2	ME111187	0.49	1.15
Retinal	ME111547	0.61	1.13
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3	ME111055	0.66	1.21
N-Monomethyl-2-aminoethylphosphonate	ME111482	0.64	1.24
Vulgaxanthin-I_2	ME111629	0.65	1.27
Pimelate	ME111520	0.70	1.30
N6-Acetyl-N6-hydroxy-L-lysine	ME111448	0.69	1.27
Tris(butoxyethyl)phosphate	ME111609	0.68	1.28
Nicotianamine	ME111476	0.68	1.28
1,8-Dinitropyrene_2	ME110992	0.68	1.28
4-Dodecylphenol_2	ME111091	0.68	1.28
alpha-Ionone_3	ME111165	0.69	1.28
5-Hydroxy-L-tryptophan_3	ME111128	0.69	1.28
6,8-Dimethyl-6,7,8,9-tetradehydroergoline	ME111140	0.69	1.28
Toxyl angelate_1	ME111603	0.66	1.30
3-Sulfocatechol	ME111076	0.66	1.30
Methylimidazoleacetic acid_1	ME111432	0.66	1.30
Sphingosine_1	ME111567	0.68	1.29
Benzyl 2-methyl-3-oxobutanoate	ME111201	0.67	1.30
Tremetone	ME111608	0.67	1.29
2-Hydroxycyclohexan-1-one_2	ME111036	0.67	1.29
4-Hydroxybutanoic acid_1	ME111100	0.67	1.29
Agroclavine_1	ME111152	0.65	1.35
Anthopleurine	ME111177	0.65	1.35
Tyramine_2	ME111614	0.65	1.31
L-Threonine_1	ME111408	0.65	1.31
2,4-DP	ME111020	0.65	1.31
Heteropyrithiamine	ME111325	0.65	1.31
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	ME111056	0.64	1.32
Benzoate	ME111197	0.64	1.32
Succinate_2	ME111573	0.62	1.34
Difenpiramide_2	ME111270	0.61	1.34
Taurine_2	ME111578	0.61	1.34
10-Desacetyltaxuyunnanin C	ME110993	0.62	1.32
Pyrene-4,5-dione	ME111537	0.63	1.33
2,2^,3-Trihydroxybiphenyl	ME111007	0.63	1.33
Apigenin	ME111179	0.63	1.33
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2	ME111010	0.49	1.29
Sannamycin A_1	ME111557	0.53	1.27
Buprenorphine_3	ME111217	0.54	1.31
D-Lysopine_2	ME111282	0.54	1.31
Trp-P-1_1	ME111610	0.52	1.43
(9Z)-Hexadecenoic acid_2	ME110975	0.53	1.42
Cytidine	ME111249	0.52	1.42
Indole_3	ME111336	0.52	1.42
Phthalate	ME111517	0.55	1.40
D-Octopine	ME111284	0.54	1.40
Sulcatone	ME111576	0.54	1.41
alpha-Santonin	ME111170	0.54	1.41
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2	ME110966	0.54	1.41
3,4-Dihydroxyphenylethyleneglycol_1	ME111048	0.54	1.41
2-(6^-Methylthio)hexylmalic acid	ME111006	0.54	1.41
2-Furoate	ME111034	0.54	1.41
3,3^-Dimethylbisphenol A	ME111047	0.58	1.33
Butabarbital_3	ME111220	0.60	1.40
1-Aminocyclopropane-1-carboxylate	ME110997	0.60	1.35
L-2-Aminoadipate_1	ME111355	0.60	1.35
4-Phenethylphenol_2	ME111108	0.60	1.36
Oblongolide_2	ME111488	0.60	1.36
3,4-Dihydroxyphenylethyleneglycol_2	ME111049	0.59	1.36
(6Z,9Z,12Z)-Octadecatrienoic acid_1	ME110971	0.59	1.36
Inulicin	ME111345	0.59	1.37
THTC	ME111595	0.59	1.37
L-Ornithine	ME111399	0.58	1.37
Sphinganine	ME111566	0.58	1.38
2,3,6-Trihydroxypyridine	ME111012	0.58	1.38
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1	ME110965	0.58	1.38
2-Hydroxymethylclavam	ME111038	0.57	1.38
Vulgaxanthin-I_1	ME111628	0.56	1.38
Albafuran A	ME111156	0.57	1.39
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	ME111605	0.56	1.39
Virol B	ME111627	0.50	1.81
Dimepiperate_2	ME111275	0.19	1.54
3-Dehydroecdysone_1	ME111060	0.17	1.59
Wyerone	ME111630	0.20	1.60
Felbamate	ME111298	0.03	1.54
Glycocholate_2	ME111318	0.13	1.49
Retinoate_5	ME111552	0.11	1.53
Diosgenin_2	ME111280	0.17	1.24
Benzyl nicotinate	ME111202	0.13	1.29
Hoechst 33342	ME111331	0.14	1.32
Epothilone C	ME111290	0.01	1.42
Rehmaionoside C	ME111546	0.04	1.42
Cilastatin	ME111227	0.13	1.39
Diosgenin_1	ME111279	0.08	1.40
Leukotriene A4_2	ME111371	0.17	2.00
L-Olivosyl-oleandolide_1	ME111396	0.04	1.96
L-Olivosyl-oleandolide_2	ME111397	0.05	2.09
Mansonone C	ME111420	0.32	1.81
(+)-Bornane-2,5-dione_2	ME110960	0.24	1.87
Mebenil	ME111421	0.17	1.83
5-Hydroxyindoleacetate_1	ME111124	0.04	1.85
Abietate_1	ME111149	0.06	1.84
L-Olivosyl-oleandolide_3	ME111398	0.02	1.84
Lythramine_2	ME111415	0.02	1.87
Taurocholate_1	ME111579	0.09	1.81
Urocanate_1	ME111623	0.09	1.81
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	ME111063	0.07	1.83
Bakkenolide A_1	ME111188	0.07	1.82
Fagomine_2	ME111297	0.08	1.82
Fusicoccin H	ME111309	0.09	1.78
Lythramine_1	ME111414	0.12	1.78
Abietate_2	ME111150	0.10	1.80
Oblongolide_1	ME111487	0.10	1.80
Arachidonate_1	ME111180	0.11	1.79
Methylimidazoleacetic acid_2	ME111433	0.11	1.79
Cinnamaldehyde_2	ME111229	0.24	1.67
gamma-Coniceine	ME111310	0.23	1.68
D-Glucose	ME111262	0.23	1.68
2-Aceto-2-hydroxybutanoate_2	ME111024	0.23	1.68
2-Methylaminoadenosine_2	ME111040	0.23	1.68
Glycyl-leucine_3	ME111321	0.25	1.66
Proclavaminic acid	ME111527	0.27	1.65
Urocanate_2	ME111624	0.26	1.65
Retinoate_4	ME111551	0.23	1.77
3-(2-Hydroxyphenyl)propanoate	ME111046	0.17	1.74
5-Hydroxyindoleacetate_2	ME111125	0.17	1.74
Bufadienolide_2	ME111214	0.16	1.75
Dopamine	ME111287	0.16	1.75
Ferricyanide_2	ME111302	0.15	1.75
Phenacetin	ME111507	0.15	1.75
(S)-ATPA_2	ME110987	0.19	1.72
6,8-Dimethyl-6,7-didehydroergoline_1	ME111141	0.19	1.72
Nona-2,6-dienal_2	ME111484	0.19	1.72
Bufadienolide_1	ME111213	0.21	1.70
Taurine_1	ME111577	0.21	1.70
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1	ME111053	0.09	1.60
GV 150013X	ME111323	0.09	1.65
(+)-Bornane-2,5-dione_3	ME110961	0.12	1.68
alpha-Ionone_2	ME111164	0.13	1.67
(S)-ATPA_1	ME110986	0.14	1.67
Biochanin A	ME111205	0.03	1.65
3-tert-Butyl-5-methylcatechol_2	ME111080	0.05	1.74
Taurodeoxycholate_2	ME111582	0.00	1.71
2-(3^-Methylthio)propylmalic acid	ME111005	1.00	NA
4-Guanidinobutanal_2	ME111095	2.32	0.12
Biotin sulfoxide	ME111207	2.65	0.17
1-Phenylethylamine	ME111003	2.01	0.10
Taxa-4(20),11(12)-dien-5alpha-yl acetate_3	ME111585	2.02	0.10
N-Cyclohexylformamide	ME111469	1.96	0.14
4-Fluorocyclohexadiene-cis,cis-1,2-diol_1	ME111092	1.98	0.13
Glutarate_1	ME111315	1.98	0.13
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1	ME111017	1.97	0.14
L-Methionine S-oxide_2	ME111392	1.97	0.13
Karwinaphthol B	ME111352	1.91	0.19
N-Dimethyl-2-aminoethylphosphonate_2	ME111472	1.91	0.19
4-Nitrophenol	ME111103	1.92	0.18
Portulacaxanthin III	ME111522	1.92	0.19
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	ME110998	1.93	0.17
(3-Arylcarbonyl)-alanine_2	ME110964	1.94	0.16
Cyclohexane-1,3-dione_3	ME111247	1.84	0.25
2-Oxoglutaramate	ME111043	1.86	0.24
Nitrilacarb	ME111479	1.86	0.24
Maculosin	ME111416	1.87	0.23
4-Phenethylphenol_1	ME111107	1.87	0.23
5-(2-Hydroxyethyl)-4-methylthiazole	ME111112	1.87	0.23
(3-Arylcarbonyl)-alanine_1	ME110963	1.65	0.43
4-Hydroxy-4-methylglutamate	ME111099	1.65	0.42
Botrydial_1	ME111210	1.65	0.42
N-Methylpelletierine	ME111481	1.59	0.47
(6Z,9Z,12Z)-Octadecatrienoic acid_2	ME110972	1.61	0.45
Melamine	ME111422	1.61	0.46
Coumarin_2	ME111237	1.61	0.46
Dinitrochlorobenzene_2	ME111278	1.61	0.46
Tolmetin sodium	ME111601	1.54	0.46
Corticosterone_1	ME111234	1.49	0.51
Serotonin	ME111561	1.51	0.55
alpha-Sinensal_2	ME111172	1.53	0.53
N-Acetyl-D-tryptophan	ME111452	1.52	0.54
Indole_2	ME111335	1.57	0.50
5-Sulfosalicylate_2	ME111136	1.56	0.50
N5-Phenyl-L-glutamine_2	ME111445	1.56	0.50
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol	ME111015	1.55	0.51
Pirbuterol	ME111521	1.54	0.52
(1-Ribosylimidazole)-4-acetate	ME110962	1.54	0.52
D-Galactose 6-sulfate	ME111260	1.54	0.52
Dodemorph	ME111286	1.77	0.31
Xanomeline	ME111631	1.76	0.32
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1	ME111009	1.74	0.42
Acutumidine	ME111151	1.72	0.40
Isoquinoline_4	ME111350	1.74	0.34
Calystegin B2	ME111224	1.72	0.36
D-Glucarate	ME111261	1.71	0.37
2-Aminoadenosine	ME111027	1.56	0.37
8-Deoxylactucin	ME111145	1.62	0.29

Factors:

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

Data matrix