Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004341)

Reversed phase NEGATIVE ION MODE (Analysis AN007249)

Metabolite	Structure	F1	F2	F3
3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al	ME1197365	0.82	1.24	1.05
6-HydroxyKetanserinol Esi-5.773736	ME1197540	1.11	1.83	0.00
16?-Hydroxy-17-epistanozolol Esi-15.883	ME1197174	0.00	3.60	0.00
26-Hydroxybrassinolide	ME1197278	2.25	0.00	0.00
3-Hydroxyneogrifolin	ME1197415	0.56	1.23	1.48
4-Carboxy-4^-sulfoazobenzene	ME1197459	1.09	0.87	0.99
14alpha-Hydroxyixocarpanolide	ME1197163	0.00	0.00	3.60
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin	ME1197450	0.79	1.07	1.26
2-Propylglutaric acid	ME1197345	2.25	0.00	0.00
7-Hydroxylevomepromazine Esi-18.838	ME1197563	2.25	0.00	0.00
(25R)-26,26,26-trifluoro-1?,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1?,25-dihydroxycholecalciferol	ME1197038	0.00	0.00	3.60
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol	ME1197134	2.25	0.00	0.00
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol	ME1197426	0.00	0.00	3.60
4-Hydroxypenbutolol glucuronide	ME1197470	1.17	1.04	0.69
2-Chloro-1,1,1-trifluoroethane Esi-0.85225	ME1197302	0.86	2.22	0.00
2-Chloro-1,1,2-trifluoroethyl ethyl ether	ME1197303	2.25	0.00	0.00
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione	ME1197022	2.25	0.00	0.00
3b,15b,17a-Trihydroxy-pregnenone	ME1197383	2.25	0.00	0.00
5-Hydroxymethyldeoxycytidylate	ME1197514	2.25	0.00	0.00
2-Methyl-4-oxopentanedioic acid Esi-1.251	ME1197335	2.25	0.00	0.00
22-keto-26-Hexacosanolide	ME1197256	0.84	2.25	0.00
3-Mercaptohexyl hexanoate Esi-10.98	ME1197418	2.25	0.00	0.00
5-Hydroxybuspirone	ME1197513	0.92	1.12	1.01
3^-HydroxyIndinavir Esi-15.330999	ME1197410	0.00	0.00	3.60
3-Methyl-2-thiohydantoin	ME1197421	1.63	0.00	0.99
(?-2-Hydroxy-4-(methylthio)butanoic acid	ME1197013	0.96	1.01	1.05
14,15-HxA3-C(11S)	ME1197159	0.00	3.60	0.00
2-Chloro-1,1,1-trifluoroethane	ME1197301	0.00	0.00	3.60
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	ME1197378	0.68	1.41	1.10
3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol	ME1197427	0.56	1.54	1.16
15(S)-HETE-biotin	ME1197167	1.03	0.93	1.02
5,6-Dichloro-1,3-cyclohexadiene	ME1197491	0.69	0.00	2.49
2-Phenylethyl octanoate	ME1197343	1.02	1.07	0.90
6^-Dehydro-6^-oxoparomamine	ME1197537	0.71	0.00	2.47
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	ME1197026	2.25	0.00	0.00
4^-Cinnamoylmussatioside	ME1197462	1.15	0.95	0.81
4-Methylburimamide Esi-13.114	ME1197473	0.00	3.60	0.00
28:7(n-6) Esi-22.012001	ME1197280	1.79	0.00	0.74
2-C-Methyl-D-erythritol 4-phosphate	ME1197306	2.25	0.00	0.00
3-Benzoyloxy-11-oxo-12-ursen-28-oic acid	ME1197385	1.02	0.99	0.98
3-oxo-tetracosanoic acid	ME1197436	0.87	0.00	2.20
2,3-Dehydrosilychristin	ME1197238	0.00	3.60	0.00
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	ME1197262	2.25	0.00	0.00
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.446557	ME1197054	1.66	0.00	0.94
16?-Hydroxy-17-epistanozolol	ME1197172	0.00	2.06	1.54
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	ME1197185	1.68	0.92	0.00
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol	ME1197031	2.25	0.00	0.00
5,7,3^,4^-Tetrahydroxy-3,6,5^-trimethoxyflavone	ME1197492	2.25	0.00	0.00
(22E,24R)-Stigmasta-4,22-diene-3,6-dione	ME1197029	0.00	1.69	1.91
3-Mercaptohexyl hexanoate	ME1197417	0.97	1.07	0.97
(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol	ME1197050	0.00	3.60	0.00
4-Hydroxyfurano[2^^,3^^:6,7]aurone	ME1197469	1.50	0.00	1.20
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.429	ME1197270	2.25	0.00	0.00
6-O-Methylguanine	ME1197549	0.00	3.60	0.00
2-Amino-3-oxobutanoate	ME1197295	1.23	1.64	0.00
2-demethylmenaquinone-8	ME1197308	2.25	0.00	0.00
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-10.612	ME1197311	0.00	0.00	3.60
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	ME1197558	0.00	3.60	0.00
3-?-Hydroxydeoxygedinin	ME1197366	0.00	0.00	3.60
4-Fluoro-L-threonine	ME1197464	2.25	0.00	0.00
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]	ME1197441	2.25	0.00	0.00
5-(4-Acetoxybut-1-ynyl)-2,2^-bithiophene	ME1197487	1.52	0.00	1.16
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol Esi-23.75	ME1197035	0.00	0.00	3.60
6-O-Methylarmillaridin	ME1197548	0.60	1.15	1.50
2-Oxopropyl-CoM	ME1197342	1.23	0.14	1.50
3^-Deoxydryopteric acid Esi-0.7716665	ME1197399	0.92	2.12	0.00
(25R)-11alpha,20,26-trihydroxyecdysone	ME1197037	0.92	0.00	2.13
2-Amino-1,2-bis(p-chlorophenyl)ethanol	ME1197290	1.18	0.71	1.00
3-Vinylbacteriochlorophyllide d	ME1197440	0.00	1.70	1.90
5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione	ME1197502	2.25	0.00	0.00
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-21.001324	ME1197374	0.61	1.52	1.10
2-Hydroxytenoxicam	ME1197329	0.00	0.00	3.60
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol	ME1197059	2.25	0.00	0.00
2-Phthalimidoglutaric acid	ME1197344	2.25	0.00	0.00
7-Hydroxyriluzole	ME1197565	2.14	0.00	0.18
17-?, 21-Dihydroxy-11,20-dioxo-5-?-pregnan-3-?-yl-?-d-glucuronide	ME1197180	1.07	0.96	0.93
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein Esi-1.4988573	ME1197045	1.59	0.00	1.05
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide	ME1197384	0.75	1.15	1.25
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3	ME1197203	1.44	0.76	0.54
3-Methyl-2-thiohydantoin Esi-0.82217646	ME1197420	0.00	1.74	1.86
16?-Hydroxy-17-epistanozolol Esi-14.794	ME1197173	0.00	0.00	3.60
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid	ME1197025	0.82	1.29	1.00
6?-Methylprednisolone Acetate	ME1197526	1.58	0.00	1.07
1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 / 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norcholecalciferol	ME1197131	0.00	3.60	0.00
3beta-Cycloartane-3,29-diol	ME1197387	0.68	0.81	1.70
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone	ME1197109	1.47	0.00	1.25
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione	ME1197145	1.15	0.95	0.82
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide	ME1197390	2.25	0.00	0.00
2-Acetolactic acid Esi-21.026	ME1197285	2.25	0.00	0.00
2,3,7,8-Tetrachlorodibenzofuran	ME1197237	0.00	0.00	3.60
4-Amino-2-nitrophenol Esi-0.7922775	ME1197454	1.26	0.94	0.64
5-Tricosyl-1,3-benzenediol	ME1197521	0.81	0.99	1.32
6-Chloroapigenin	ME1197529	0.00	3.60	0.00
4-Quinolone-3-Carboxamide Furan CB2 Agonist	ME1197484	0.00	3.60	0.00
17beta-Hydroxy-4-methylandrost-4-en-3-one	ME1197184	1.09	0.94	0.92
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-16.573	ME1197055	0.00	0.00	3.60
4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-	ME1197483	0.00	0.00	3.60
5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1H-benzimidazole	ME1197489	2.25	0.00	0.00
26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxycholecalciferol	ME1197269	2.25	0.00	0.00
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate	ME1197288	0.44	1.42	1.47
2-Stearyl citrate	ME1197346	0.00	3.60	0.00
34:6(16Z,19Z,22Z,25Z,28Z,31Z)	ME1197373	2.25	0.00	0.00
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol	ME1197273	0.99	1.15	0.86
5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S	ME1197494	1.00	1.02	0.99
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.430093	ME1197274	1.15	0.00	1.75
2-O-p-Coumaroyltartronic acid	ME1197341	0.00	0.00	3.60
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide	ME1197451	2.03	0.35	0.00
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol Esi-18.329	ME1197133	0.00	3.60	0.00
3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol	ME1197355	0.00	0.00	3.60
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-14.769	ME1197533	2.25	0.00	0.00
4-Methylburimamide	ME1197474	0.75	0.93	1.47
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C Esi-13.725	ME1197532	2.25	0.00	0.00
2-O-Caffeoylglucarate	ME1197339	1.55	0.42	0.70
1(3)-glyceryl-6-keto-PGF1?	ME1197099	1.00	1.12	0.87
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.11475	ME1197228	2.25	0.00	0.00
3-Hydroxy-L-proline	ME1197414	1.03	0.89	1.07
19-Hydroxycinnzeylanol 19-glucoside	ME1197194	1.04	0.98	0.96
3^-Deoxystreptomycin 3^^-phosphate Esi-13.791	ME1197402	2.25	0.00	0.00
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone	ME1197198	1.10	0.90	0.95
4-Bromophenylacetate	ME1197458	0.00	0.00	3.60
7-Oxociguatoxin	ME1197566	0.00	3.60	0.00
3-Hydroxy-7-acetylaminonitrazepam	ME1197408	1.55	0.00	1.12
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.670749	ME1197536	0.88	2.19	0.00
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-12.445	ME1197202	0.00	0.00	3.60
16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid	ME1197176	2.25	0.00	0.00
3^-N-Debenzoyltaxol	ME1197424	1.08	1.23	0.64
4-Hydroxyrottlerin	ME1197472	0.00	0.00	3.60
2-Butylbenzothiazole	ME1197299	0.00	3.60	0.00
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanone	ME1197423	2.25	0.00	0.00
2-Dodecylbenzenesulfonic acid	ME1197315	0.00	0.00	3.60
4-Aminoethylbenzenesulfonyl Fluoride	ME1197457	0.00	0.00	3.60
24-Acetyl- 25-cinnamoylvulgaroside	ME1197266	0.55	1.43	1.29
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate Esi-1.7930001	ME1197205	0.00	3.60	0.00
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate Esi-14.866998	ME1197287	0.75	0.00	2.40
17-trifluoromethylphenyl trinor PGF2? methyl ester	ME1197188	0.00	0.00	3.60
1-Phenyl-1,3-octadecanedione Esi-19.642	ME1197214	2.25	0.00	0.00
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol	ME1197135	1.12	0.94	0.87
(7^R,8^R)-4,7^-Epoxy-3^-methoxy-4^,5,9,9^-lignanetetrol 9^-glucoside	ME1197065	1.77	0.00	0.76
22-epi-Hippurin-1	ME1197255	2.25	0.00	0.00
2-Methyl-4-oxopentanedioic acid	ME1197334	1.28	0.51	1.03
4-Hydroxypenbutolol glucuronide Esi-13.303999	ME1197471	0.00	0.00	3.60
2,4-Dimethyl-2-pentacosenoic acid Esi-20.993261	ME1197246	1.29	0.00	1.54
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile Esi-4.29	ME1197352	1.67	0.00	0.92
3-Methoxy-4-hydroxyphenylethylene glycol	ME1197419	0.00	0.00	3.60
3beta-Cycloartane-3,29-diol Esi-21.035477	ME1197388	0.93	2.11	0.00
3-oxoglutaric acid Esi-1.0950001	ME1197433	0.00	0.00	3.60
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol Esi-15.688002	ME1197030	0.00	0.00	3.60
7-Hydroxyriluzole Esi-0.95457155	ME1197564	2.25	0.00	0.00
2,4-dichloro-N-propylbenzamide	ME1197244	0.98	0.00	2.02
3^-Deoxystreptomycin 3^^-phosphate Esi-13.794664	ME1197403	0.73	1.42	1.02
4-Acetyl-2(3H)-benzoxazolone	ME1197452	0.00	0.00	3.60
5a-Dihydrotestosterone sulfate Esi-13.40978	ME1197498	1.01	1.13	0.86
2,3,4-Trioxycyclopentanone	ME1197236	0.66	1.50	1.04
6-O-Oleuropeoylsucrose	ME1197550	1.69	0.47	0.43
3,3^-Bisanigorufone	ME1197353	2.25	0.00	0.00
5-Hydroxy-3,3^,7,8-tetramethoxy-4^,5^-methylenedioxyflavone	ME1197512	1.49	0.53	0.68
35-aminobacteriohopane-31,32,33,34-tetrol	ME1197375	2.25	0.00	0.00
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-15.548998	ME1197204	0.00	3.60	0.00
24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol	ME1197261	2.25	0.00	0.00
3-Deoxy-D-manno-octulosonate 8-phosphate	ME1197398	2.25	0.00	0.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine Esi-15.506749	ME1197039	1.91	0.54	0.00
4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate	ME1197456	2.25	0.00	0.00
15-HETE-VA	ME1197169	0.00	3.60	0.00
2-Keto valeric acid	ME1197333	2.25	0.00	0.00
2-deoxyecdysone 22-phosphate	ME1197313	0.00	3.60	0.00
12(13)-EpOME	ME1197143	1.09	1.85	0.00
2-Imino-4-methylpiperidine	ME1197332	1.08	0.00	1.88
2,2^-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol	ME1197226	0.85	1.16	1.08
2-Ethoxythiazole	ME1197316	0.00	0.00	3.60
(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid	ME1197033	2.25	0.00	0.00
6-Bromo-5E,9Z,13Z-docosatrienoic acid	ME1197528	2.25	0.00	0.00
7-Hydroxylevomepromazine	ME1197562	0.00	3.60	0.00
2-hydroxy-tricosanoic acid Esi-21.992998	ME1197330	2.25	0.00	0.00
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate	ME1197504	0.79	1.15	1.19
29:2(5Z,9Z)(6Br) Esi-14.901	ME1197283	2.25	0.00	0.00
4-oxo 2-Nonenal-d3 Esi-5.091	ME1197480	0.00	0.00	3.60
14,19-Dihydroaspidospermatine	ME1197162	2.25	0.00	0.00
4-oxo 2-Nonenal-d3	ME1197479	1.09	0.74	1.12
1-epi-Fortimicin B	ME1197201	1.05	0.92	1.01
4-Phenylbutyl glucosinolate	ME1197481	1.11	0.00	1.82
2-Arachidonoyl Glycerol-d8	ME1197297	1.34	1.45	0.00
2-glyceryl-6-keto-PGF1?	ME1197318	1.11	1.82	0.00
1,2-Di(2-pyridyl)ethylene	ME1197114	0.00	1.34	2.26
2,3-Dihydroxy-4-Methoxy-4^-Ethoxybenzophenone	ME1197240	0.00	0.00	3.60
2-trans,6-cis-farnesyl diphosphate	ME1197347	2.25	0.00	0.00
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol	ME1197181	2.25	0.00	0.00
22:3-Glc-Stigmasterol	ME1197253	1.03	0.83	1.12
5beta-Chola-3,11-dien-24-oic Acid	ME1197503	0.00	0.00	3.60
(23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxyvitamin D3 / (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxycholecalciferol	ME1197032	0.00	0.00	3.60
3-Methylsuberic acid	ME1197422	1.46	0.00	1.27
16-Hydroxy-10-oxohexadecanoic acid	ME1197177	0.00	0.00	3.60
1-(O-alpha-D-mannopyranosyl)-(1,3R,25S,27R)-octacosanetetraol	ME1197110	2.25	0.00	0.00
24,25-Diacetylvulgaroside	ME1197263	2.25	0.00	0.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-6.372	ME1197292	0.00	3.60	0.00
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate	ME1197139	2.25	0.00	0.00
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	ME1197442	0.00	3.60	0.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-18.394	ME1197229	2.25	0.00	0.00
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide	ME1197495	1.06	1.16	0.74
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	ME1197362	1.08	0.00	1.87
2-Hydroxy-22-methyltetracosanoic acid	ME1197320	2.25	0.00	0.00
22-Oxo-docosanoate Esi-20.011	ME1197258	2.25	0.00	0.00
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	ME1197250	0.00	3.60	0.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate	ME1197325	2.25	0.00	0.00
3-Chloro-2-hydroxymuconic semialdehyde	ME1197392	0.89	0.00	2.18
(-)-11-nor-9-carboxy-?9-THC-d3	ME1197004	0.00	0.00	3.60
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C	ME1197531	0.00	0.00	3.60
32:5(14Z,17Z,20Z,23Z,26Z)	ME1197371	1.38	0.00	1.39
3-oxohexacosanoic acid	ME1197435	1.59	0.00	1.06
13-(2-Methylcrotonoyl)oxylupanine	ME1197153	1.13	0.80	0.99
5a-Dihydrotestosterone sulfate	ME1197499	1.17	0.83	0.90
6-methoxy Naphthalene Acetic Acid	ME1197544	1.43	0.00	1.30
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid	ME1197151	1.55	0.00	1.11
3^-Demethylstaurosporine Esi-18.837	ME1197394	0.00	0.00	3.60
1-(5^-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	ME1197103	2.25	0.00	0.00
1-Hydroxycarvedilol	ME1197207	1.04	0.93	1.01
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate	ME1197098	1.23	0.81	0.81
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol Esi-14.215151	ME1197425	0.46	1.38	1.49
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.373375	ME1197230	2.25	0.00	0.00
3-Vinylbacteriochlorophyllide d Esi-10.615	ME1197439	0.00	0.00	3.60
2-Heptenedioic acid, 4-oxo-	ME1197319	2.25	0.00	0.00
7,8,7^,8^-Tetradehydroastaxanthin Esi-17.003	ME1197553	2.25	0.00	0.00
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	ME1197245	0.61	2.63	0.00
3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid	ME1197381	1.05	1.08	0.83
3,4-Methylenedioxybenzoic acid	ME1197359	2.25	0.00	0.00
18-hydroxypregna-1,4,20-trien-3-one Esi-16.252502	ME1197191	1.17	0.00	1.73
7-Epiloganin tetraacetate	ME1197560	1.36	1.42	0.00
1-(10-methyl-hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine	ME1197097	2.25	0.00	0.00
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	ME1197144	0.00	0.00	3.60
3^-O-Methyl-(-)-epicatechin-7-O-sulphate	ME1197431	1.53	0.00	1.15
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid	ME1197377	2.25	0.00	0.00
6-HydroxyKetanserinol	ME1197539	1.21	0.83	0.84
2-carbazol-9-ylbenzoic acid	ME1197300	0.00	0.00	3.60
(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane	ME1197062	0.00	3.60	0.00
4-Phenylpyridine	ME1197482	0.00	1.51	2.09
16:1 Campesteryl ester	ME1197171	0.00	1.36	2.24
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside	ME1197052	0.95	1.15	0.93
1,3-Dinitropyrene	ME1197122	1.30	0.00	1.52
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.06	ME1197275	2.25	0.00	0.00
3-Formylrifampin Esi-14.060999	ME1197404	2.25	0.00	0.00
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.2605551	ME1197304	1.08	0.84	1.04
4-Glucogallic acid	ME1197466	2.25	0.00	0.00
7-Hydroxybenzo[a]pyrene	ME1197561	0.92	0.93	1.20
2-hydroxy-tricosanoic acid	ME1197331	1.21	0.79	0.87
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside)	ME1197478	2.25	0.00	0.00
17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol	ME1197182	0.00	0.00	3.60
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside	ME1197522	0.00	1.81	1.79
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol	ME1197527	0.00	3.60	0.00
2-glyceryl-6-keto-PGF1? Esi-11.426	ME1197317	0.00	0.00	3.60
6-Oxo-2-hydroxy-7-(4^-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate	ME1197551	0.00	0.00	3.60
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol	ME1197128	0.85	2.24	0.00
2,2-Bis(4-hydroxyphenyl)hexafluoropropane Esi-0.66150004	ME1197231	1.54	0.00	1.13
1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxacholecalciferol	ME1197132	0.00	3.60	0.00
3,3^-Dimethoxybenzidine	ME1197356	0.97	1.12	0.94
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol	ME1197106	1.02	1.06	0.91
2-[(Isopropylthio)methyl]furan	ME1197249	1.63	0.99	0.00
1,4-beta-D-Glucan	ME1197124	2.25	0.00	0.00
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1^-sn-glycerol)	ME1197104	1.21	1.66	0.00
5b-Cholestane-3a,7a,12a,24,25-pentol Esi-19.362	ME1197500	2.25	0.00	0.00
15(S)-15-methyl PGF2? isopropyl ester	ME1197166	2.25	0.00	0.00
3^-HydroxyIndinavir	ME1197411	2.25	0.00	0.00
5^^-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-D-xylopyranoside	ME1197488	2.25	0.00	0.00
18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid	ME1197190	0.88	0.93	1.26
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi-18.447002	ME1197233	0.00	3.60	0.00
2-hydroxy-nonadecanoic acid	ME1197328	1.31	0.69	0.81
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.668497	ME1197053	0.95	2.07	0.00
5-Hydroxysulfapyridine	ME1197516	1.13	0.00	1.78
6-Methoxy-3-(2-thiazolyl)-1H-indole	ME1197545	0.00	0.00	3.60
3-Hydroxy-7-acetamidoclonazepam	ME1197407	1.09	0.88	0.98
(3Z)-Phytochromobilin	ME1197060	1.51	1.18	0.00
5-Pentacosyl-1,3-benzenediol	ME1197520	1.53	0.00	1.15
3-Demethylsimmondsin 2^-(Z)-ferulate	ME1197393	2.25	0.00	0.00
3^-Deoxystreptomycin 3^^-phosphate	ME1197401	0.99	1.09	0.93
5-Hydroxypropafenone	ME1197515	0.59	1.09	1.57
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol	ME1197049	2.25	0.00	0.00
1-(9,14-dimethyl-pentadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME1197105	0.68	1.65	0.85
2-Acetolactic acid	ME1197286	1.43	0.00	1.30
5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 29676	ME1197509	2.25	0.00	0.00
4-Chloro-6,7-dimethoxy-2-benzoxazolinone	ME1197461	1.32	0.00	1.48
5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acid	ME1197511	0.83	2.28	0.00
6-(2-Chloroallylthio)purine	ME1197523	0.00	0.00	3.60
25-Hydroxycholecalciferol (25-hydroxyvitamin D3)	ME1197268	2.25	0.00	0.00
18-hydroxypregna-1,4,20-trien-3-one	ME1197192	1.29	1.53	0.00
19-Chloro-17beta-hydroxyandrost-4-en-3-one	ME1197193	0.00	3.60	0.00
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid	ME1197455	2.25	0.00	0.00
5(S),6(R)-DiHETE	ME1197490	0.00	0.00	3.60
6-Methylthiohexanaldoxime	ME1197547	1.07	0.89	1.00
5-Hydroxythiabendazole	ME1197517	1.15	0.71	1.05
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^2b^^ aglycone	ME1197525	0.00	0.00	3.60
14,14,14-Trifluoro-11E-tetradecenyl acetate	ME1197157	2.25	0.00	0.00
2-Butyl-1H-benzimidazole	ME1197298	0.00	3.60	0.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-8.364308	ME1197294	1.17	0.00	1.73
3-Hydroxy-L-proline Esi-0.955	ME1197413	2.25	0.00	0.00
6-Methoxy-3-(2-thiazolyl)-1H-indole Esi-0.81799996	ME1197546	0.00	3.60	0.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.547	ME1197276	2.25	0.00	0.00
7,12-Dimethylbenz[a]anthracene 5,6-oxide	ME1197552	1.18	0.00	1.71
14-chlorotetracosane-1,15-disulfate Esi-13.981997	ME1197165	0.96	2.06	0.00
3-Bromo-tyrosine	ME1197391	0.47	1.21	1.65
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-13.956809	ME1197042	0.49	1.02	1.79
2-Hydroxy-24-keto-octacosanolide Esi-21.0155	ME1197322	1.70	0.00	0.89
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.884	ME1197220	0.00	0.00	3.60
36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S])	ME1197376	1.44	0.00	1.30
4-(Methylthio)-1-butanol	ME1197443	2.25	0.00	0.00
6-Hydroxyondansetron glucuronide	ME1197542	2.25	0.00	0.00
1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene	ME1197112	1.34	1.46	0.00
1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline	ME1197196	2.25	0.00	0.00
3-Hydroxy-beta-ionol 3-[glucosyl-(1-6)-glucoside]	ME1197409	0.00	3.60	0.00
3^,4^-Anhydrovinblastine	ME1197357	1.16	0.86	0.89
4-Amino-2-nitrophenol	ME1197453	2.25	0.00	0.00
16-a-Hydroxypregnenolone	ME1197175	0.00	0.00	3.60
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	ME1197046	1.59	0.00	1.06
2-Hydroxy-22-methyltetracosanoic acid Esi-20.554382	ME1197321	0.58	1.37	1.30
2,3-dihydrothieno-Thiadiazole Carboxylate	ME1197239	0.00	1.68	1.92
5a-Cholestane-3a,7a,12a,25-tetrol Esi-19.3675	ME1197496	0.00	1.77	1.83
11-O-Demethylpradimicinone II Esi-1.17	ME1197141	2.25	0.00	0.00
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one	ME1197146	1.06	0.86	1.05
3-Deoxy-D-manno-octulosonate	ME1197397	1.55	1.12	0.00
2-(4-Hydroxyphenyl)naphthalic anhydride Esi-7.146	ME1197216	0.00	3.60	0.00
5beta-scymnol sulfate	ME1197507	2.25	0.00	0.00
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.433553	ME1197310	0.83	1.03	1.24
32,35-anhydrobacteriohopaneterol	ME1197368	0.88	1.13	1.07
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid Esi-16.144	ME1197364	2.25	0.00	0.00
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid Esi-0.8549233	ME1197024	1.47	0.00	1.25
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine	ME1197040	0.48	1.43	1.40
2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid	ME1197338	2.25	0.00	0.00
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester	ME1197063	1.50	0.61	0.58
3-(2-Furanyl)-2-propenal	ME1197349	0.00	0.00	3.60
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-11.439357	ME1197506	0.71	1.26	1.21
10S-HODE	ME1197138	0.43	1.38	1.53
1,2-Glyceryl dinitrate glucuronide	ME1197119	1.15	0.74	1.02
(22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferol	ME1197028	2.25	0.00	0.00
32:5(14Z,17Z,20Z,23Z,26Z) Esi-22.019249	ME1197369	1.53	0.00	1.16
3-tert-Butyl-5-methylcatechol	ME1197438	1.07	0.95	0.93
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid Esi-15.246286	ME1197150	0.40	2.96	0.00
4^-Hydroxyfenoprofen Esi-6.271	ME1197468	0.00	3.60	0.00
5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid	ME1197485	2.25	0.00	0.00
12R-HOME(13Z)	ME1197149	1.24	0.00	1.62
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol	ME1197428	1.06	1.90	0.00
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.438	ME1197312	0.00	0.00	3.60
3-Hydroxy-L-proline Esi-1.23	ME1197412	0.00	3.60	0.00
11-O-Demethylpradimicinone II	ME1197142	2.25	0.00	0.00
24:2(5Z,9Z)(11Me,15Me,19Me,23Me)	ME1197264	0.00	0.00	3.60
14,19-Dihydroaspidospermatine Esi-19.115	ME1197161	2.25	0.00	0.00
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol	ME1197056	2.25	0.00	0.00
2-Naphthaleneacetic acid, 6-(sulfooxy)- Esi-1.52	ME1197336	2.25	0.00	0.00
(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol	ME1197064	0.00	0.00	3.60
2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol	ME1197251	0.00	1.85	1.75
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-22.015	ME1197372	2.25	0.00	0.00
26-O-beta-D-glucopyranosyl-22R-methoxyl-(25R)-furost-5-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1-2)-O-{[R-L-rhamnopyranosyl-(1-4)]-O-[alpha-L-rhamnopyranosyl-(1-4)]}-beta-D-glucopyranoside	ME1197279	1.02	1.02	0.94
4-Carboxy-4^-sulfoazobenzene Esi-1.5220001	ME1197460	0.00	0.00	3.60
1,3,5-Trihydroxy-10-methylacridone	ME1197121	1.11	0.87	0.95
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid	ME1197361	2.25	0.00	0.00
2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone	ME1197307	2.25	0.00	0.00
4,4^-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	ME1197445	2.25	0.00	0.00
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-10.625	ME1197505	2.25	0.00	0.00
24-Acetyl- 25-cinnamoylvulgaroside Esi-16.903997	ME1197265	0.00	3.60	0.00
5-O-?-D-Mycaminosyltylactone	ME1197519	0.66	1.17	1.38
1?,25-dihydroxy-24a-homo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a-homo-22-thia-20-epicholecalciferol	ME1197129	2.25	0.00	0.00
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol	ME1197036	0.92	1.14	0.99
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.5084999	ME1197305	0.00	2.18	1.42
3-Hydroxy-3-methyl-glutaric acid	ME1197406	0.59	0.93	1.73
1-epi-Fortimicin B Esi-12.41777	ME1197200	1.42	1.33	0.00
2,3,3-Triphenylacrylonitrile	ME1197235	0.00	3.60	0.00
1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine	ME1197115	0.54	0.99	1.74
1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol	ME1197130	2.25	0.00	0.00
29:2(5Z,9Z)(6Br)	ME1197282	1.07	1.01	0.88
5-Methylthiopentanaldoxime	ME1197518	1.02	1.11	0.86
2-APB	ME1197296	0.00	1.74	1.86
1,1^-Bis(2-hydroxy-3-methylcarbazole)	ME1197111	1.88	0.59	0.00
4-(Methylthio)-1-butanol Esi-6.2737703	ME1197444	0.53	1.15	1.60
17,20-Hexacosadienoic acid Esi-20.101692	ME1197179	0.66	1.09	1.44
4-Methyldibenzothiophene	ME1197475	0.81	0.00	2.30
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.567	ME1197277	2.25	0.00	0.00
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2?	ME1197189	2.25	0.00	0.00
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine	ME1197221	2.25	0.00	0.00
5-bromo-3-cyclohexyl-2-hydroxybenzamide	ME1197508	1.19	1.12	0.58
(3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4^-(2^^-glucosyl-3^^-xylosyl)-galactoside]	ME1197057	0.00	0.00	3.60
5-Fluorodeoxyuridine monophosphate	ME1197510	2.25	0.00	0.00
12alpha-Methylpregna-4,9(11)-diene-3,20-dione	ME1197147	1.29	1.54	0.00
3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate	ME1197358	0.00	0.00	3.60
4,4^-Thiobis-2-butanone	ME1197449	0.82	0.86	1.43
1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)	ME1197123	2.25	0.00	0.00
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 Esi-7.218078	ME1197155	0.93	0.00	2.11
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.198999	ME1197272	0.00	0.00	3.60
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid	ME1197324	0.87	1.56	0.65
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	ME1197289	0.00	3.60	0.00
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	ME1197224	1.39	0.00	1.38
7,8,7^,8^-Tetradehydroastaxanthin	ME1197554	0.64	2.22	0.35
1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	ME1197195	0.78	1.18	1.17
3R-hydroxy-eicosanoic acid	ME1197437	2.25	0.00	0.00
17-phenyl-trinor-PGE2	ME1197186	1.00	0.96	1.04
2-O-Galloylgalactaric acid	ME1197340	1.13	1.79	0.00
2-(Methylthio)propane	ME1197225	0.00	0.00	3.60
3-Amino-4,7-dihydroxycoumarin	ME1197382	0.00	0.00	3.60
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester	ME1197152	0.00	3.60	0.00
2-Hydroxymyristic Acid	ME1197327	0.57	0.00	2.69
1,5-Diferuloylquinic acid	ME1197126	0.00	3.60	0.00
17,20-Hexacosadienoic acid	ME1197178	2.25	0.00	0.00
2,2-Bis(4-hydroxyphenyl)hexafluoropropane	ME1197232	0.00	3.60	0.00
4^-Hydroxyfenoprofen	ME1197467	0.00	0.00	3.60
1-O-Galloylglycerol Esi-0.86399996	ME1197213	0.00	3.60	0.00
1,2-Glyceryl dinitrate	ME1197117	1.49	0.54	0.68
(2R,4S)-2,4-Diaminopentanoate	ME1197047	1.39	1.38	0.00
2-(Acetamidomethylene)succinate	ME1197222	0.00	3.60	0.00
4,4^^-bis(N-feruloyl)serotonin	ME1197447	2.25	0.00	0.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine	ME1197293	1.17	0.70	1.03
3^-Demethylstaurosporine	ME1197395	2.25	0.00	0.00
3,3^-Dichloro-4,4^-diaminodiphenyl ether	ME1197354	2.25	0.00	0.00
1-Methylhypoxanthine	ME1197208	0.69	2.50	0.00
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside	ME1197041	1.07	0.87	1.01
14,15-LTC4	ME1197160	0.92	0.74	1.40
22-Oxo-docosanoate Esi-19.509	ME1197257	2.25	0.00	0.00
5a-Cholestane-3a,7a,12a,25-tetrol	ME1197497	2.25	0.00	0.00
6-HydroxyKetanserinol Esi-5.9623346	ME1197541	1.01	0.87	1.12
(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone	ME1197044	2.25	0.00	0.00
17-trifluoromethylphenyl trinor PGF2?	ME1197187	2.25	0.00	0.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate	ME1197234	0.65	1.30	1.27
1,2-Glyceryl dinitrate Esi-1.2638462	ME1197118	2.25	0.00	0.00
6-Desmethylprazosin	ME1197538	0.00	1.49	2.11
12alpha-Methylpregna-4,9(11)-diene-3,20-dione Esi-15.2185	ME1197148	0.93	1.20	0.91
2,4-Dimethyl-2-pentacosenoic acid	ME1197247	0.84	1.26	1.00
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.429496	ME1197534	1.04	1.07	0.85
1,4-Bis(chloromethoxymethyl)benzene	ME1197125	1.22	0.72	0.93
3beta-Fluoro-5alpha-androstan-17beta-ol	ME1197389	0.00	1.49	2.11
6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one	ME1197524	2.25	0.00	0.00
(?-2-Hydroxy-4-(methylthio)butanoic acid Esi-6.1074557	ME1197014	1.09	0.90	0.97
2-Naphthaleneacetic acid, 6-(sulfooxy)-	ME1197337	2.25	0.00	0.00
4,4^^-bis(N-feruloyl)serotonin Esi-14.83	ME1197446	0.00	0.00	3.60
29-demethylgeodisterol-O-sulfite	ME1197284	0.92	1.02	1.10
2-Hydroxyhexadecanoic acid	ME1197326	0.78	1.00	1.35
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol	ME1197058	2.25	0.00	0.00
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4	ME1197154	1.35	0.00	1.44
2,4,5,6-Phenanthrenetetrol	ME1197242	2.25	0.00	0.00
2-deoxyecdysone 22-phosphate Esi-13.526	ME1197314	0.00	0.00	3.60
14-chlorotetracosane-1,15-disulfate	ME1197164	1.03	0.95	1.00
1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione	ME1197102	0.68	1.00	1.51
1-(Indol-3-yl)propanol 3-phosphate	ME1197108	1.02	0.82	1.15
11,12,13-trihydroxy-9-octadecenoic acid	ME1197140	0.93	1.05	1.06
14,14,14-Trifluoro-11Z-tetradecenyl acetate	ME1197158	2.23	0.02	0.02
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	ME1197023	0.97	0.82	1.22
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.433	ME1197380	0.00	0.00	3.60
23-trans-p-Coumaroyloxytormentic acid	ME1197260	1.14	0.00	1.78
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-14.336	ME1197043	0.00	0.00	3.60
2,2^,5-Trichloro-4-hydroxybiphenyl	ME1197227	0.96	0.00	2.07
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile	ME1197351	1.72	0.00	0.86
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone Esi-5.037	ME1197197	0.00	0.00	3.60
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1-6)-b-D-glucopyranoside]	ME1197048	2.25	0.00	0.00
3^-Deoxydryopteric acid	ME1197400	0.00	2.20	1.40
24-methylene-cholesterol sulfate	ME1197267	2.25	0.00	0.00
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol	ME1197367	2.25	0.00	0.00
3-O-alpha-L-Arabinopyranosyl-L-arabinose	ME1197430	0.00	3.60	0.00
2-(a-Hydroxyethyl)thiamine diphosphate	ME1197223	0.48	0.85	1.99
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.684941	ME1197051	0.90	1.15	1.02
15-methoxy-tricosanoic acid	ME1197170	0.48	1.58	1.25
3-Mercaptohexyl butyrate	ME1197416	0.60	0.99	1.65
6^^^-Deamino-6^^^-hydroxyneomycin C	ME1197535	0.93	1.04	1.07
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-21.0028	ME1197136	1.54	0.00	1.14
1(3)-glyceryl-PGF2?	ME1197101	0.87	1.17	1.05
1-O-[2^^-sulfo-alpha-D-Mannosyl -1^^-2^-alpha-D-Glucosyl]-sn-2,3-di-O-phytanylglycerol	ME1197209	2.25	0.00	0.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-5.9999514	ME1197291	0.54	1.28	1.45
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate	ME1197206	0.90	1.10	1.06
22-Oxo-docosanoate	ME1197259	2.25	0.00	0.00
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-	ME1197199	0.00	3.60	0.00
6-Hydroxysandoricin	ME1197543	0.00	1.82	1.78
(4OH,8Z,t18:1) sphingosine	ME1197061	2.25	0.00	0.00
2-(7^-Methylthio)heptylmalic acid	ME1197218	0.64	1.38	1.19
2-Hydroxy-24-keto-octacosanolide	ME1197323	2.25	0.00	0.00
3-O-Methylniveusin A	ME1197432	1.05	1.92	0.00
15(S)-HETE-biotin Esi-23.795	ME1197168	0.00	3.60	0.00
32:5(14Z,17Z,20Z,23Z,26Z) Esi-21.008463	ME1197370	1.31	1.51	0.00
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate	ME1197448	0.77	0.00	2.36
22:2(5Z,9Z)(13Me,17Me,21Me)	ME1197252	0.00	0.00	3.60
2,3-dinor Fluprostenol	ME1197241	1.09	1.09	0.77
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-20.962	ME1197137	0.00	0.00	3.60
(20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferol	ME1197027	2.25	0.00	0.00
22-Acetylpriverogenin B	ME1197254	2.25	0.00	0.00
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.4330015	ME1197379	0.72	1.13	1.33
2-deoxy-20-hydroxyecdysone 22-phosphate	ME1197309	0.99	1.21	0.79
7-bromo-5-heptynoic acid	ME1197559	2.25	0.00	0.00
28:7(n-6)	ME1197281	1.46	0.56	0.70
1-O-Galloylglycerol	ME1197212	0.62	2.61	0.00
3-oxoglutaric acid	ME1197434	2.25	0.00	0.00
1,3,5-Trihydroxy-10-methylacridone Esi-5.972	ME1197120	1.21	0.00	1.66
2^^,6^^-Di-O-acetylononin	ME1197248	1.38	1.39	0.00
1(3)-glyceryl-6-keto-PGF1? Esi-10.624619	ME1197100	1.24	0.85	0.77
3-(2,5-Dimethoxyphenyl)propanoic acid	ME1197348	0.94	1.07	1.02
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.886997	ME1197219	0.00	3.60	0.00
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	ME1197183	2.25	0.00	0.00
2,4,5-Trichlorophenoxyacetic Acid, Isooctyl Ester	ME1197243	2.25	0.00	0.00
3beta-Acetoxy-19alpha-hydroxy-12-ursene	ME1197386	0.35	1.46	1.59
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol Esi-9.872001	ME1197107	2.25	0.00	0.00
1-Phenyl-1,3-octadecanedione	ME1197215	2.25	0.00	0.00
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid	ME1197363	0.76	1.04	1.35
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol	ME1197034	0.86	1.15	1.07
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole	ME1197350	2.25	0.00	0.00
13-Dihydrocarminomycin	ME1197156	2.25	0.00	0.00
4-Feruloyl-1,5-quinolactone	ME1197463	0.45	1.50	1.38
1,2,3-Trichlorobenzene	ME1197113	0.00	0.00	3.60
6-Cyano-7-nitroquinoxaline-2,3-dione	ME1197530	2.25	0.00	0.00
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol Esi-13.189001	ME1197429	0.00	0.00	3.60
3,5,6-Trihydroxy-3^,4^,7-trimethoxyflavone 3-glucuronide	ME1197360	2.25	0.00	0.00
3-Formylrifampin	ME1197405	2.25	0.00	0.00
2-(4-Hydroxyphenyl)naphthalic anhydride	ME1197217	1.15	0.69	1.07
4-Glucogallic acid Esi-15.439053	ME1197465	0.97	1.02	1.03
4^-O-Methyl-(-)-epicatechin-7-O-sulphate	ME1197476	2.25	0.00	0.00
1,2-Distearoyl phosphatidyl serine	ME1197116	2.25	0.00	0.00
1-O-2^-Hydroxy-4^-methoxycinnamoyl-b-D-glucose	ME1197210	0.00	0.00	3.60
5,7,8-Trihydroxy-3,6,4^-trimethoxy-flavone 8-isovalerate	ME1197493	1.12	1.10	0.72
5b-Cholestane-3a,7a,12a,24,25-pentol	ME1197501	2.25	0.00	0.00
1^-O-Acetylpaxilline	ME1197211	0.97	0.00	2.04
3-Deoxy-D-manno-octulosonate Esi-1.309	ME1197396	2.25	0.00	0.00
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one	ME1197486	2.25	0.00	0.00
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol	ME1197127	2.25	0.00	0.00
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.2890005	ME1197271	0.00	0.00	3.60
4^-O-Methylglucoliquiritigenin	ME1197477	2.25	0.00	0.00

Factors:

F1	Sample source:Mouse blood \| treatment:Ethanol
F2	Sample source:Mouse blood \| treatment:Ethanol+Honey
F3	Sample source:Mouse blood \| treatment:Ethanol+Sugar

Data matrix