Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003736)

(Analysis AN006130)

Metabolite	Structure	F1	F2
Penciclovir	ME977495	1.98	0.02
N-octanoylsphingosine 1-phosphate	ME977685	1.98	0.02
Lenticin	ME977450	1.98	0.02
Dexamethasone	ME978120	1.98	0.02
Inosinic acid	ME977738	1.98	0.02
Lys-Ala-Glu	ME978032	1.95	0.05
1,6-Dimethyl-4-isopropyltetralin	ME977712	1.94	0.06
Trp-His-Tyr	ME977912	1.94	0.06
1-Oleoylglycerone 3-phosphate	ME978285	1.91	0.09
9-Hydroxycalabaxanthone	ME977518	1.89	0.11
moracin I	ME977242	1.88	0.12
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	ME978297	1.85	0.15
Apixaban	ME978183	1.85	0.15
Ginsenoside F1	ME977382	1.82	0.18
Sporidesmolide 1	ME977566	1.83	0.17
Arg-Arg-Lys-Ser-His	ME978180	1.81	0.19
Diethyl hydrogen phosphate	ME977333	1.80	0.20
N-(3-bromo-4-methoxybenzyl)cyclohexanamine	ME977513	0.69	1.31
Isofraxidin	ME977453	0.69	1.31
Etobenzanid	ME977210	0.69	1.31
2-Methoxy-4-[2-propenyl]phenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside	ME978259	0.69	1.31
Acetyl-L-carnitine	ME977554	0.69	1.31
MG(18:0/0:0/0:0)	ME977615	0.70	1.30
Metaproterenol	ME977345	0.70	1.30
Lys-Cys-Val-Ala-Phe	ME978030	0.70	1.30
Asp-Trp-Tyr	ME978156	0.70	1.30
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine	ME978263	0.70	1.30
1,2-Distearoyl-sn-glycero-3-phosphocholine	ME978299	0.70	1.30
1-(5-(2,3-Dichlorophenylthio)-4-nitrothiophen-2-yl)ethanone	ME977177	0.70	1.30
Paritaprevir	ME977963	0.71	1.29
GcNeu	ME977811	0.71	1.29
beta-D-gentiobiosyl crocetin	ME977367	0.71	1.29
9,10-Phenanthrenequinone	ME978195	0.71	1.29
1-Heneicosanoyl-2-heptadecanoyl-glycero-3-phosphate	ME978289	0.71	1.29
3-Methyladenine	ME977416	0.71	1.29
Reticulataxanthin	ME977570	0.78	1.22
Methyl 2-chloro-3,5-dinitrobenzoate	ME977621	0.78	1.22
Leu-Thr-Phe-Gln-Met	ME978041	0.78	1.22
1-Methylnicotinamide	ME977546	0.78	1.22
2-Chloro-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone	ME977228	0.78	1.22
Val-Tyr-Gln-His-Val	ME977894	0.76	1.24
Triacetin	ME977858	0.76	1.24
N,N-dimethylsphingosine	ME977760	0.76	1.24
Chloramphenicol palmitate	ME977396	0.76	1.24
Asn-Arg-Glu-Ser-Leu	ME978165	0.76	1.24
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine	ME977794	0.76	1.24
1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate	ME978298	0.76	1.24
13-Docosenamide	ME977803	0.76	1.24
Uridine-5^-diphosphate	ME977350	0.77	1.23
Thioridazine	ME977438	0.77	1.23
PE-NMe2(18:1(9Z)/18:1(9Z))	ME977969	0.77	1.23
Aceclofenac	ME978192	0.77	1.23
2-(4-Fluorophenyl)acetohydrazide	ME977521	0.77	1.23
3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid	ME978233	0.77	1.23
Meldonium	ME978016	0.73	1.27
LPC(O-18:0/0:0)	ME977231	0.73	1.27
Leu-Ala-Met-Glu-Arg	ME978044	0.73	1.27
1-[1-[1-[1-[1-[1-[1-[1-(1-Butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol	ME978277	0.73	1.27
Fasciculic acid C	ME977745	0.73	1.27
Quercetin 3,3^,7-trissulfate	ME977939	0.72	1.28
1-(4-Chlorophenyl)-3-naphthalen-1-ylurea	ME977733	0.72	1.28
Isorescinnamine, dihydro-	ME977303	0.72	1.28
Stearic acid	ME977930	0.75	1.25
Se-methylselenocysteine	ME977586	0.75	1.25
Glu-Tyr-Ile-Glu	ME978087	0.75	1.25
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde	ME978265	0.75	1.25
7-Chloro-6-demethylcepharadione B	ME978205	0.75	1.25
Rebamipide	ME977169	0.74	1.26
Stigmasta-4,22-dien-3-one	ME977929	0.74	1.26
Thioctic acid	ME977921	0.80	1.20
Prinomide	ME977945	0.80	1.20
Fipronil	ME978098	0.80	1.20
Annomutacin	ME977669	0.80	1.20
Acetoxyacetone	ME977337	0.80	1.20
3-Methylbenzenecarbothioamide	ME977608	0.80	1.20
2,3^,4,5^-Tetramethoxystilbene	ME977606	0.80	1.20
3-Chloro-1H-pyrazol-4-amine	ME977851	0.80	1.20
L-Alanyl-L-alanine	ME977645	0.79	1.21
Diquafosol	ME978111	0.79	1.21
4-Hydroxyamphetamine	ME978223	0.79	1.21
2-Hexadecenal	ME978261	0.79	1.21
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN	ME978240	0.79	1.21
Glyphosine	ME978081	0.83	1.17
Glyceryl monostearate	ME977757	0.83	1.17
5-Methoxytryptophan	ME977598	0.83	1.17
Docosanamide	ME977550	0.83	1.17
Sorbitan, monohexadecanoate	ME977583	0.81	1.19
Methionine	ME977307	0.81	1.19
Harman	ME977452	0.81	1.19
Diisooctyl phthalate	ME978114	0.81	1.19
Carmustine	ME977689	0.81	1.19
8-iso Prostaglandin F2d4	ME978197	0.81	1.19
2-Amino-5-methyl-4-phenylthiazole	ME977549	0.81	1.19
6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one	ME978207	0.81	1.19
Tyr-Ser-Arg	ME977901	0.82	1.18
Thiazolidine-4-carboxylic acid	ME977923	0.82	1.18
Phenthoate	ME977587	0.82	1.18
Nilutamide	ME977302	0.82	1.18
Methyl 2-thiofuroate	ME977724	0.82	1.18
Maltotriose	ME977818	0.82	1.18
Leupeptin	ME977373	0.82	1.18
2-Dodecenal	ME977456	0.82	1.18
beta-Amyrone	ME977298	0.82	1.18
Propanoyl phosphate	ME977942	0.86	1.14
Prolylthreonine	ME977943	0.86	1.14
Nonoxynol-9	ME977580	0.86	1.14
N-Acetyl-L-glutamyl 5-phosphate	ME977690	0.86	1.14
N-(5-Adamant-1-yl methoxy)pentyl deoxynojirimycin	ME978002	0.86	1.14
N-(13-Methyltetradecyl)acetamide	ME977288	0.86	1.14
Betaine aldehyde	ME977236	0.86	1.14
3-Amino-2,3-dihydrobenzoic acid	ME978243	0.86	1.14
Arg-Ile-Ala-Glu-Glu	ME978176	0.86	1.14
Trimethylamine N-oxide	ME977777	0.85	1.15
O-Methylsterigmatocystin	ME977661	0.85	1.15
N-Formyldemecolcine	ME977697	0.85	1.15
L-Serine	ME977362	0.85	1.15
Isoliquiritigenin	ME977148	0.85	1.15
Iriomoteolide 1a	ME978058	0.85	1.15
Inosine triphosphate	ME977736	0.85	1.15
His-Phe-Tyr-Asp	ME978071	0.85	1.15
Glycine	ME977363	0.85	1.15
Dioleoylphosphatidylcholine	ME977405	0.85	1.15
Dehydrocarpaine II	ME978122	0.85	1.15
Cicerin 7-(6-malonylglucoside)	ME977698	0.85	1.15
Asn-Gly-His	ME978163	0.85	1.15
9(10)-EpOME	ME977673	0.85	1.15
5-Bromo-4-(trifluoromethyl)pyrimidin-2-amine	ME977155	0.85	1.15
2-Butoxyethanol	ME977812	0.85	1.15
1-Methylhistamine	ME977433	0.85	1.15
1,2-Diphenylhydrazine	ME977761	0.85	1.15
16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoic acid	ME977841	0.85	1.15
Sodium (2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl phosphate	ME977585	0.84	1.16
Pro-Ala-Glu	ME977944	0.84	1.16
Phe-Asp-Lys	ME977959	0.84	1.16
O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1,2-diolate	ME977660	0.84	1.16
Nitroxoline	ME977494	0.84	1.16
N-Benzyloxycarbonyl-L-leucine	ME977638	0.84	1.16
Nagaba	ME977742	0.84	1.16
Mycolactone	ME977620	0.84	1.16
Lys-Phe-Leu-Glu	ME978024	0.84	1.16
Ethacrynate sodium	ME977285	0.84	1.16
Arachidoyl glycine	ME977321	0.84	1.16
4-epi-11-nor-Aristola-1(10),11-diene	ME978219	0.84	1.16
1,3-dimethoxy-5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]benzene	ME977386	0.84	1.16
2-[2-[(2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methyl-1,6-nonadiyn-1-yl]-2(1H)-pentalenylidene]ethoxy]acetic Acid	ME978250	0.84	1.16
Methimazole	ME977332	0.87	1.13
Indolepyruvate	ME977497	0.87	1.13
Gamma-Caprolactone	ME977263	0.87	1.13
Docosatrienoic acid	ME977567	0.87	1.13
Diethyl glutarate	ME978118	0.87	1.13
Bezafibrate	ME977487	0.87	1.13
all-trans-13,14-Dihydroretinol	ME977787	0.87	1.13
Ala-Ser-Ser-Thr-Lys	ME978188	0.87	1.13
Acetylcholine	ME977420	0.87	1.13
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine	ME977216	0.87	1.13
3-Amino-3-oxopropanoic acid	ME977610	0.87	1.13
(S)-Mephenytoin	ME977255	0.88	1.12
Rimantadine	ME977730	0.88	1.12
Rhodovibrin	ME977432	0.88	1.12
Proxan	ME977831	0.88	1.12
o-Phenylenediamine	ME977876	0.88	1.12
Mefenorex	ME977667	0.88	1.12
Indole-3-carbinol	ME977256	0.88	1.12
Dinitrogen trioxide	ME978113	0.88	1.12
Chlorthiamid	ME977651	0.88	1.12
Ametryn	ME978185	0.88	1.12
3,6-Epoxy-5,5^,6,6^-tetrahydro-b,b-carotene-3^,5,5^,6^-tetrol	ME977658	0.88	1.12
2,2^:5^,2^^-Terthiophene	ME978269	0.88	1.12
2^-Deoxyguanosine-5^-diphosphate	ME977857	0.88	1.12
Tyr-Pro-Trp	ME977902	0.89	1.11
Tacalcitol	ME977354	0.89	1.11
Phosphonoacetate	ME977476	0.89	1.11
N-acetyl-L-citrullinate	ME977996	0.89	1.11
Kojibiose	ME977624	0.89	1.11
Isopropyl dodecylfluorophosphonate	ME978057	0.89	1.11
D-Erythrose 4-phosphate	ME977346	0.89	1.11
Antibiotic KM 208	ME977563	0.89	1.11
6-Phosphogluconic acid tri(cyclohexylammonium) salt, Grade V	ME978208	0.89	1.11
3-Phenylbutyric acid	ME977467	0.89	1.11
3-Oxovalproic acid	ME978237	0.89	1.11
3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid	ME977499	0.89	1.11
1-Heptanol	ME977813	0.89	1.11
2-Undecylsulfonylacetic acid	ME978256	0.89	1.11
TG(16:0/16:0/18:2(9Z,12Z))	ME977927	0.90	1.10
Tenovin-6	ME977924	0.90	1.10
Pyroglutamylglutaminyllysine	ME977940	0.90	1.10
Pyridaben	ME977147	0.90	1.10
Oleana-12-ene-3beta,28-diol 3-[(Z)-3-(4-hydroxyphenyl)propenoate]	ME977983	0.90	1.10
Isocarbamid	ME977547	0.90	1.10
Imperialine	ME977319	0.90	1.10
His-Asn-Ile	ME978076	0.90	1.10
Cyanidin	ME977732	0.90	1.10
cis-3-Hexen-1-ol	ME977160	0.90	1.10
Butylone	ME977209	0.90	1.10
Acetylglycine	ME977378	0.90	1.10
9-Octadecenal	ME977423	0.90	1.10
4-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1,3-thiazol-2-amine	ME977175	0.90	1.10
3-Methylindole	ME977198	0.90	1.10
2-Isopropoxy-5-trifluoromethyl-phenylamine	ME977763	0.90	1.10
2-Hydroxy-6-pentadecylbenzoic acid	ME977677	0.90	1.10
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)	ME978315	0.90	1.10
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid	ME977477	0.90	1.10
1-Myristoleoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine	ME978287	0.90	1.10
1-Stearoyl-2-docosahexaenoyl-sn-glycerol	ME978280	0.90	1.10
Oxandrolone	ME977398	1.22	0.78
N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine	ME977619	1.22	0.78
LPC(18:1/0:0)	ME977516	1.22	0.78
Hydrogen sulfide	ME978067	1.22	0.78
Firefly luciferin	ME977590	1.22	0.78
Farnesyl Thiosalicylic Acid Amide	ME978102	1.22	0.78
Arg-Gln-Arg	ME978178	1.22	0.78
8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid methyl ester	ME978198	1.22	0.78
5-(3-Buten-1-ynyl)-2,2^-bithiophene	ME977797	1.22	0.78
2,6-Dichlorobenzamide	ME977640	1.22	0.78
2-Methyl-3-furanthiol	ME977568	1.22	0.78
Phe-Leu-Tyr-Asp	ME977956	1.23	0.77
Pavetannin B6	ME977184	1.23	0.77
3-Decaprenyl-4,5-dihydroxybenzoic acid	ME978241	1.23	0.77
Manglupenone	ME977693	1.23	0.77
N-(indole-3-acetyl)-L-leucine	ME977507	1.20	0.80
Erythrosine	ME977680	1.20	0.80
Devazepide	ME977850	1.20	0.80
1-Phthalazinamine, N-(3-chlorophenyl)-4-phenyl-	ME977213	1.20	0.80
2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile	ME977300	1.20	0.80
Safinamide	ME977731	1.21	0.79
Risedronic acid	ME977842	1.21	0.79
PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	ME977968	1.21	0.79
Juvenile hormone I	ME977719	1.21	0.79
Allyl methyl sulfide	ME977859	1.21	0.79
Asparagylalanine	ME978154	1.21	0.79
Stigmastane-3,6-dione	ME977928	1.13	0.87
Ser-Ile-Lys-Gly-Lys	ME977933	1.13	0.87
Pyridoxal 5^-phosphate(2-)	ME977750	1.13	0.87
Met-Thr-Ser	ME978011	1.13	0.87
L-canavanine	ME977377	1.13	0.87
Ethyl vanillin	ME977765	1.13	0.87
Dimethyl 4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate	ME977301	1.13	0.87
Caffeic acid	ME977434	1.13	0.87
8^-apo-beta-Carotenol	ME977481	1.13	0.87
5-Sulfamoylfuran-2-carboxamide	ME977180	1.13	0.87
5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate	ME978213	1.13	0.87
3-Dehydrosphinganine	ME977683	1.13	0.87
3-Acetyl-11-keto-beta-boswellic acid	ME977271	1.13	0.87
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol	ME978309	1.13	0.87
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine	ME978300	1.13	0.87
2-((3-Aminopropyl)amino)ethanethiol	ME977545	1.13	0.87
Thiosulfate	ME977920	1.12	0.88
Rufloxacin	ME977860	1.12	0.88
Prorocentrolide	ME977781	1.12	0.88
Oxibendazole	ME977633	1.12	0.88
Ondansetron hydrochloride dihydrate	ME977846	1.12	0.88
MG(0:0/18:2(9Z,12Z)/0:0)	ME978018	1.12	0.88
Mactraxanthin	ME977189	1.12	0.88
LPC(22:6/0:0)	ME977681	1.12	0.88
Lavendustin c	ME978045	1.12	0.88
Ethyl arachidonate	ME977659	1.12	0.88
C25H50NO6P	ME978146	1.12	0.88
Asn-Leu-Pro-Ala-Lys	ME978162	1.12	0.88
2-Phenylacetamide	ME977852	1.12	0.88
2^-Deoxymugineic acid	ME977234	1.12	0.88
2-[N-Cyclohexylamino]ethane sulfonic acid	ME978249	1.12	0.88
Vinclozolin M2	ME977892	1.15	0.85
Val-Leu-Leu-Val-Val	ME977896	1.15	0.85
Tyr-Phe-Thr-Lys	ME977904	1.15	0.85
Thiirane	ME977922	1.15	0.85
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol	ME977392	1.15	0.85
Methyldiphenylphosphine	ME977696	1.15	0.85
Iodotyrosine	ME977257	1.15	0.85
Fenchlorphos	ME977558	1.15	0.85
Bethanechol	ME977272	1.15	0.85
Avenoleic acid	ME977663	1.15	0.85
7-Ethyl-10-hydroxycamptothecin	ME978204	1.15	0.85
(2R)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride	ME977721	1.15	0.85
1,3-Benzothiazole-2-sulfonamide	ME977480	1.15	0.85
1-Stearoyl-2-Arachidonoyl PC-d8	ME977682	1.15	0.85
Vorinostat	ME977695	1.14	0.86
s-(p-Nitrobenzyl)glutathione	ME977268	1.14	0.86
(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine	ME977366	1.14	0.86
Schisandrin	ME977937	1.14	0.86
Ponceau SX	ME977469	1.14	0.86
Ortophosphate	ME977980	1.14	0.86
N-benzyl-5-bromofuran-2-carboxamide	ME977779	1.14	0.86
N2-(1-Carboxyethyl)-L-arginine	ME977991	1.14	0.86
Methylthiouracil	ME977364	1.14	0.86
Leu-Thr-Pro-Asp-Ala	ME978040	1.14	0.86
Gln-Val-Leu-Arg	ME978088	1.14	0.86
D-Xylono-1,5-lactone	ME978129	1.14	0.86
Cannabisin G	ME978143	1.14	0.86
Beta-Mercaptoethanol	ME978149	1.14	0.86
Benzydamine	ME978151	1.14	0.86
7alpha-Hydroxycholesterol	ME977358	1.14	0.86
5S-Hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid, methyl ester	ME978210	1.14	0.86
4-deoxy-2-O-sulfo-beta-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine 6-O-sulfate	ME978220	1.14	0.86
3^-Fucosyllactose	ME977489	1.14	0.86
3,4-Dihydrocoumarin	ME977773	1.14	0.86
2-Methoxy-3,5-dimethylpyrimidine	ME977161	1.14	0.86
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	ME977291	1.14	0.86
2-Acetylfuran	ME977772	1.14	0.86
Sphingosine 1-phosphate	ME977577	1.19	0.81
Pentadecylamine	ME977962	1.19	0.81
Maclurin	ME977409	1.19	0.81
LPE(0:0/20:4)	ME977195	1.19	0.81
LPC(O-16:0/2:0)	ME977232	1.19	0.81
LPC(16:0/0:0)	ME977666	1.19	0.81
Diethyl disulfide	ME977824	1.19	0.81
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine	ME978286	1.19	0.81
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate	ME977885	1.19	0.81
(S)-Ureidoglycolic acid	ME977233	1.18	0.82
Phe4Cl-TyrMe-OH	ME977950	1.18	0.82
PC(16:0/2:0)	ME977977	1.18	0.82
Lumichrome	ME977828	1.18	0.82
Lucidenic acid N	ME977509	1.18	0.82
Ethoxzolamide	ME977471	1.18	0.82
Arg-Leu-Leu-Asn-Leu	ME978175	1.18	0.82
2-Bromo-5-fluorophenylacetic acid	ME977238	1.18	0.82
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphono hydrogen phosphate	ME977887	1.18	0.82
N-pentadecanoyl-L-Homoserine lactone	ME977992	1.17	0.83
N-Ethylacetamide	ME977310	1.17	0.83
N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide	ME977183	1.17	0.83
N-(4,5-dimethylthiophen-2-yl)acetamide	ME977408	1.17	0.83
4-Methylthiobutanaldoxime	ME978222	1.17	0.83
2-Phospho-D-Glyceric Acid	ME977523	1.17	0.83
2-Hydroxy-2-methylbutyric acid	ME977506	1.17	0.83
1-hydroxy-5-[[(9S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3-methoxy-10-methylacridin-9-one	ME978274	1.17	0.83
2-Aminoethyl dihydrogen phosphate	ME977833	1.17	0.83
Troglitazone	ME977145	1.16	0.84
Sulfanilamide	ME977306	1.16	0.84
Prallethrin	ME977612	1.16	0.84
Perhexiline maleate	ME977275	1.16	0.84
N,N-Dimethyl-N^-(3-thienylmethyl)-1,2-ethanediamine	ME977174	1.16	0.84
Imidazole-4-methanol	ME977201	1.16	0.84
Dibasic sodium phosphate	ME977226	1.16	0.84
Di-2-propenyl heptasulfide	ME977714	1.16	0.84
Cedrol	ME978138	1.16	0.84
Betaine	ME978148	1.16	0.84
8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-thiol	ME977355	1.16	0.84
9,10-Epoxystearic acid	ME978196	1.16	0.84
TyrMe-Lys-OH	ME977899	0.93	1.07
Sebacic acid	ME977815	0.93	1.07
Pyrohyperforin	ME977555	0.93	1.07
Pyrazin-2-carboxylic acid	ME977941	0.93	1.07
PGF2alpha methyl ether	ME977704	0.93	1.07
Paraoxon	ME977544	0.93	1.07
N-octanoylsphingosine	ME977230	0.93	1.07
Neotigogenin acetate	ME977442	0.93	1.07
Naringenin-7-O-glucoside	ME977400	0.93	1.07
Momordicilin	ME978006	0.93	1.07
L-Saccharopine	ME977136	0.93	1.07
LPE(18:0/0:0)	ME977262	0.93	1.07
Leu-Thr-Gln-Gln-Leu	ME978042	0.93	1.07
Hydrogen phosphate	ME977562	0.93	1.07
Fenson	ME978100	0.93	1.07
Ethephon	ME977676	0.93	1.07
Emodin	ME977410	0.93	1.07
DI(Hydroxyethyl)ether	ME978124	0.93	1.07
delta-Hexanolactone	ME977200	0.93	1.07
beta-Sitosterol	ME977197	0.93	1.07
Alprenolol	ME977725	0.93	1.07
Actara	ME977691	0.93	1.07
8,11,14-Eicosatrien-5-ynoic acid	ME978200	0.93	1.07
6-Methyl-5-hepten-2-one	ME977823	0.93	1.07
5-Methyl-5-hexen-2-one	ME978211	0.93	1.07
5-Hydroxyhexanoic acid	ME977472	0.93	1.07
4-Dodecylbenzenesulfonic acid	ME978224	0.93	1.07
4-Chloro-1,1-dioxidotetrahydrothiophen-3-yl acetate	ME977224	0.93	1.07
2-Mercapto-5-trifluoromethoxybenzothiazole	ME977687	0.93	1.07
2,6-Dichloro-4-fluorobenzaldehyde	ME978267	0.93	1.07
1,5-Diaminobromo-4,8-dihydroxyanthraquinone	ME977575	0.93	1.07
(1S)-Deltamethrin	ME977287	0.93	1.07
Triethylenetetramine	ME977807	0.94	1.06
Triethylene glycol monomethyl ether	ME977806	0.94	1.06
Thiothece-474	ME977502	0.94	1.06
(S)-3-(2-Methylphenoxy)propane-1,2-diol	ME978301	0.94	1.06
Phenol	ME977830	0.94	1.06
p-Coumaryl alcohol 4-O-glucoside	ME977768	0.94	1.06
PC(O-16:0/O-2:0)	ME977975	0.94	1.06
Octadecadienamide	ME977985	0.94	1.06
Nitromethane	ME977986	0.94	1.06
Nicotinamide mononucleotide	ME977825	0.94	1.06
N-Butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-7-YL]-N-methylundecanamide	ME977141	0.94	1.06
N-acetyl-LL-2,6-diaminopimelic acid	ME977995	0.94	1.06
Methamidophos	ME977789	0.94	1.06
Lys-Tyr-Phe	ME978020	0.94	1.06
Lys-Met-His	ME978025	0.94	1.06
Isoxathion	ME977653	0.94	1.06
Geranylgeraniol	ME977607	0.94	1.06
Geranylcitronellol	ME977510	0.94	1.06
Dioctyl phthalate	ME978112	0.94	1.06
Caruilignan D	ME978139	0.94	1.06
Bispyribac	ME977748	0.94	1.06
Benzyl-furan-2-ylmethyl-amine	ME977474	0.94	1.06
Azelaoyl PAF	ME977515	0.94	1.06
Asp-Tyr-Asp-Asn-Phe	ME978155	0.94	1.06
4-Phenylquinolin-8-amine	ME977370	0.94	1.06
4-Methylumbelliferyl glucuronide	ME977323	0.94	1.06
1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone	ME977780	0.94	1.06
2,8-Dichloro-3-dibenzofuranol	ME977802	0.94	1.06
Xanthine	ME977265	0.92	1.08
Trp-Val-Arg	ME977909	0.92	1.08
Ronidazole	ME977218	0.92	1.08
MG(18:2/0:0/0:0)	ME977581	0.92	1.08
Metyrapone	ME977381	0.92	1.08
Hydrogen carbonate	ME977254	0.92	1.08
Glu-Ile	ME977343	0.92	1.08
Gln-Gln-Gln-Glu-Gln	ME978091	0.92	1.08
Formyl phosphate	ME977774	0.92	1.08
APMF-Glu	ME978193	0.92	1.08
4-O-hexopyranosylhex-2-ulofuranose	ME977466	0.92	1.08
4-Hydroxy-3-methoxycinnamaldehyde	ME977629	0.92	1.08
3-Hexaprenyl-4,5-dihydroxybenzoic acid	ME977296	0.92	1.08
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol	ME978313	0.92	1.08
2-Phenylaminoadenosine	ME977391	0.92	1.08
2-Methylarachidonoyl-(2^-fluoroethyl)amide	ME977678	0.92	1.08
1-Hexylamine	ME977814	0.92	1.08
12,13-epoxy-9-alkoxy-10E-octadecenoate	ME977826	0.92	1.08
1-Deoxyvaleric-acid	ME978290	0.92	1.08
Ozone	ME977979	0.91	1.09
MG(16:0/0:0/0:0)	ME977533	0.91	1.09
Leu-Ser-Leu-Glu-Glu	ME978043	0.91	1.09
Lauroyl diethanolamide	ME977771	0.91	1.09
Ethopabate	ME978106	0.91	1.09
Colfosceril palmitate	ME977305	0.91	1.09
Benzaldehyde	ME977868	0.91	1.09
6-Methylcoumarin	ME977163	0.91	1.09
(3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	ME978307	0.91	1.09
2-Undecanone	ME977808	0.91	1.09
[(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azaniumyl)-3-[(2S,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-5-methyloxan-4-yl]-methylazanium	ME977889	0.91	1.09
2^,3^-Dihydro-phytomenadione	ME977290	0.91	1.09
2-azaniumyl-5-[[1-(carboxylatomethylamino)-3-[(Z)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate	ME978248	0.91	1.09
Uric acid	ME977264	0.97	1.03
Trp-Ala-Tyr	ME977914	0.97	1.03
trans-Coumaryl acetate	ME977749	0.97	1.03
Sulfite	ME977705	0.97	1.03
Sanguinarine	ME977600	0.97	1.03
Quizalofop	ME977221	0.97	1.03
Psilocin	ME977406	0.97	1.03
Progesterone	ME977356	0.97	1.03
Phenethyl rutinoside	ME977176	0.97	1.03
Palmitic amide	ME977308	0.97	1.03
n-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide	ME977402	0.97	1.03
Morphine N-oxide	ME977297	0.97	1.03
Monomethyl phenylphosphonate	ME977864	0.97	1.03
methyl 4-(1-methylpyrrolidin-1-ium-3-yl)-3-oxobutanoate	ME977877	0.97	1.03
L-Aspartic acid	ME977361	0.97	1.03
Histidylmethionyllysine	ME978068	0.97	1.03
Hexadecylamine	ME978080	0.97	1.03
Glyceryl monooleate	ME977817	0.97	1.03
Ganoderiol I	ME978093	0.97	1.03
Furametpyr	ME977756	0.97	1.03
Furafylline	ME977208	0.97	1.03
Eicosane	ME978108	0.97	1.03
Donhexocin	ME978110	0.97	1.03
Dimethyl sulfoxide	ME977276	0.97	1.03
Dimepiperate	ME977325	0.97	1.03
Dibutyl phthalate	ME977194	0.97	1.03
Convicine	ME977649	0.97	1.03
Carvedilol	ME977246	0.97	1.03
Butylate	ME977641	0.97	1.03
bisphenol A diglycidyl ether	ME977675	0.97	1.03
beta-Peltatin A	ME977880	0.97	1.03
Arg-Met-Met	ME978173	0.97	1.03
Arg-Asp-Arg	ME978179	0.97	1.03
alpha-Sanshool	ME977429	0.97	1.03
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	ME978206	0.97	1.03
2-Thiouracil	ME977710	0.97	1.03
2-Propenoic acid, 3-phenyl-, phenylmethyl ester	ME977854	0.97	1.03
2-Hydroxybutyric acid	ME977330	0.97	1.03
2-Chlorobenzoic acid	ME978264	0.97	1.03
2,4-Pentanedione	ME977758	0.97	1.03
2,3,7,8-Tetrachlorodibenzofuran	ME978268	0.97	1.03
2-[(2-Amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoic acid	ME978254	0.97	1.03
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine	ME978281	0.97	1.03
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine	ME977212	0.97	1.03
18-Nor-4(19),8,11,13-abietatetraene	ME977617	0.97	1.03
19-Noretiocholanolone	ME977532	0.97	1.03
Vitamin K	ME977769	0.98	1.02
Tyr-Pro-Glu	ME977903	0.98	1.02
TRIPHENYL PHOSPHATE	ME977925	0.98	1.02
tetrahydrozoline	ME977873	0.98	1.02
Spheroidenone	ME977718	0.98	1.02
Prenol	ME977368	0.98	1.02
p,p^-DDE	ME977875	0.98	1.02
(+)-Penbutolol	ME977504	0.98	1.02
O-Acetyl-L-homoserine hydrochloride	ME977597	0.98	1.02
N-METHYLANILINE	ME977998	0.98	1.02
LPC(18:3/0:0)	ME978049	0.98	1.02
Leu-Val-Val-Val-Gly	ME978037	0.98	1.02
Isobutyl isothiocyanate	ME977339	0.98	1.02
Gly-Lys-Val-Lys-Lys	ME978084	0.98	1.02
Glycolaldehyde	ME977711	0.98	1.02
Ethyl 4-(cyclopropanecarbonylamino)benzoate	ME977703	0.98	1.02
Endoxifen sulfate	ME978107	0.98	1.02
(E)-6-[(7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid	ME977865	0.98	1.02
d-Myo-inositol-1,4,5-triphosphate	ME977190	0.98	1.02
Chinomethionat	ME978136	0.98	1.02
Arginine	ME977237	0.98	1.02
Androsterone	ME977397	0.98	1.02
Ampicillin sodium	ME977266	0.98	1.02
Alfentanil	ME977251	0.98	1.02
Alendronic acid	ME977278	0.98	1.02
Ala-Val-Ala-Ile-Gln	ME978186	0.98	1.02
Acetyl sulfide	ME977541	0.98	1.02
Acetic acid	ME977295	0.98	1.02
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	ME978194	0.98	1.02
5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one	ME977670	0.98	1.02
4-Guanidinobutyric acid	ME977464	0.98	1.02
4-(2,4-Dichlorophenoxy)butanoic acid	ME977153	0.98	1.02
(3R,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1-carboxylic acid	ME977827	0.98	1.02
2-Decenal	ME977498	0.98	1.02
2-(Acetamidomethylidene)succinic acid	ME977627	0.98	1.02
2,3-Diaminopropionic acid	ME977414	0.98	1.02
1-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamine	ME978294	0.98	1.02
1-(Benzyloxy)-3-(3-fluorophenyl)benzene	ME978292	0.98	1.02
Ser-Asn-Thr-Arg	ME977936	0.95	1.05
Poloxamer-188	ME977946	0.95	1.05
Phe-Phe-Ser	ME977954	0.95	1.05
Phe-His Zwitterion	ME977958	0.95	1.05
Phe-Asn-Thr-Lys	ME977960	0.95	1.05
Oxotremorine	ME977259	0.95	1.05
Oleamide	ME977556	0.95	1.05
N-tetradecanoyl-L-Homoserine Lactone	ME977637	0.95	1.05
Norcamphor	ME977440	0.95	1.05
N,N,N-Trimethyl-Histidine	ME977389	0.95	1.05
N,N-Dimethylaniline	ME977764	0.95	1.05
Niclosamide	ME977437	0.95	1.05
N-Cyclohexylformamide	ME978000	0.95	1.05
n-Benzylacetamidine	ME977260	0.95	1.05
Methenamine	ME977867	0.95	1.05
Medifoxamine	ME978017	0.95	1.05
Lys-Thr-Glu-Lys-Ala	ME978021	0.95	1.05
L-3-Aminodihydro-2(3H)-furanone	ME978055	0.95	1.05
Histamine	ME977421	0.95	1.05
Hexamethylphosphoramide	ME978079	0.95	1.05
Ethyl pyruvate	ME977322	0.95	1.05
Dicyclohexylamine	ME978119	0.95	1.05
Cysteylhistidyllysine	ME978130	0.95	1.05
Choline	ME977318	0.95	1.05
Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-	ME977418	0.95	1.05
Asp-Leu-Met	ME978157	0.95	1.05
Asparagine	ME977258	0.95	1.05
Arg-Thr-Lys-Arg	ME978170	0.95	1.05
Alternariol	ME977292	0.95	1.05
Adrenoyl ethanolamide	ME977694	0.95	1.05
7-[(2R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]-3-methoxyheptanoic acid	ME978202	0.95	1.05
4,4^-Thiodianiline	ME977716	0.95	1.05
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate	ME978308	0.95	1.05
3-Hydroxypropanal	ME977625	0.95	1.05
3-Chloroaniline	ME978242	0.95	1.05
2^-Hydroxy-4,4^,6^-trimethoxychalcone	ME977525	0.95	1.05
2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide	ME978253	0.95	1.05
1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	ME977632	0.95	1.05
15-cis-4,4^-Diapophytoene	ME978270	0.95	1.05
Val-Pro-Glu-Pro-Lys	ME977895	0.96	1.04
Thr-Trp-Met	ME977917	0.96	1.04
Thr-Pro-Pro-Val-Gln	ME977918	0.96	1.04
tert-Butylamine	ME977229	0.96	1.04
Styrene	ME977869	0.96	1.04
Rhodoxanthin	ME977785	0.96	1.04
Prosulfocarb	ME977401	0.96	1.04
Phenylacetone	ME977853	0.96	1.04
PE-NMe(16:0/16:0)	ME977972	0.96	1.04
pateamine A	ME977715	0.96	1.04
Oxymatrine	ME977672	0.96	1.04
Octafluorocyclobutane	ME977791	0.96	1.04
N-formylmaleamic acid	ME977994	0.96	1.04
Nap-His-OH	ME977989	0.96	1.04
N-acetyl-D-glucosaminic acid	ME977431	0.96	1.04
N-(2-Hydroxyethyl)docosanamide	ME977152	0.96	1.04
Mitoglitazone	ME977699	0.96	1.04
Met-Met	ME978013	0.96	1.04
Methyl cinnamate	ME977855	0.96	1.04
Melibiose	ME978015	0.96	1.04
Matairesinol	ME977349	0.96	1.04
Leu-Thr-Trp	ME978039	0.96	1.04
Kynurenic acid	ME977445	0.96	1.04
Itaconic acid	ME977146	0.96	1.04
Isoprothiolane	ME977427	0.96	1.04
Inositol 1,3-bisphosphate	ME977848	0.96	1.04
Griseofulvin	ME977747	0.96	1.04
gamma-L-Glutamyl-L-pipecolic acid	ME977878	0.96	1.04
Formylanthranilic acid	ME977528	0.96	1.04
DL-Homocysteine	ME977470	0.96	1.04
Deoxyhexose	ME978121	0.96	1.04
Dalcetrapib	ME977628	0.96	1.04
Coumaphos	ME978134	0.96	1.04
Citraconic acid	ME977439	0.96	1.04
Caprylic acid	ME977754	0.96	1.04
Bis(2-ethylhexyl) adipate	ME977856	0.96	1.04
Benzidine Yellow GR	ME978152	0.96	1.04
Acetophenone	ME977143	0.96	1.04
4-Vinylcyclohexene	ME978221	0.96	1.04
4-Propylphenol	ME977286	0.96	1.04
4-Amino-5-hydroxymethyl-2-methylpyrimidine	ME978226	0.96	1.04
3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide	ME977514	0.96	1.04
3,5-Dinitrobenzamide	ME978245	0.96	1.04
24-Methylcycloart-23-en-3beta-yl acetate	ME977604	0.96	1.04
2,6-Dichlorobenzonitrile	ME978266	0.96	1.04
(Z)-hexadec-2-enoic acid	ME977571	1.07	0.93
Trp-Met-Glu	ME977911	1.07	0.93
Trp-Ala-Arg	ME977915	1.07	0.93
S-Lactoylglutathione	ME977596	1.07	0.93
Quinoline	ME977165	1.07	0.93
Phenylacetylglycine	ME977436	1.07	0.93
Noscapine	ME977743	1.07	0.93
Makisterone A	ME977639	1.07	0.93
Lys-Ser-Asp-Glu-Thr	ME978022	1.07	0.93
Indole-3-carboxaldehyde	ME977449	1.07	0.93
Hordenine	ME977384	1.07	0.93
Gln-Phe-Asp	ME978089	1.07	0.93
D-Erythroascorbic acid 1^-a-D-xylopyranoside	ME977664	1.07	0.93
Cys-His-Lys	ME978131	1.07	0.93
Ba 2652;Stilbamidin	ME978153	1.07	0.93
Azobenzene-4-sulfonic acid	ME977599	1.07	0.93
Azacitidine	ME977543	1.07	0.93
Asp-Arg-Gln-Arg	ME978159	1.07	0.93
6beta-Hydroxydexamethasone	ME977365	1.07	0.93
5-Methoxy-N,N-diisopropyltryptamine	ME978212	1.07	0.93
5,6,7,8-Tetrahydro-2-naphthoic acid	ME977798	1.07	0.93
4,4^-Diapophytofluene	ME978231	1.07	0.93
1-Pentadecanoyl-glycero-3-phosphoethanolamine	ME978282	1.07	0.93
1,1,1-Trichloroethane	ME977253	1.07	0.93
1-Heptadecanoyl-sn-glycero-3-phosphocholine	ME977422	1.07	0.93
Zerumbone	ME977461	1.06	0.94
Val-Ile-Leu-Asp	ME977897	1.06	0.94
Ulifloxacin	ME977799	1.06	0.94
Tetradecanol	ME977805	1.06	0.94
Niacinamide	ME977142	1.06	0.94
n-cis-Feruloyltyramine	ME977207	1.06	0.94
N-Caffeoyl serotonin	ME977159	1.06	0.94
Met-Ser-Phe-Thr-Phe	ME978012	1.06	0.94
Methanesulfinate	ME977479	1.06	0.94
Mequitazine	ME977565	1.06	0.94
Histidinol	ME978069	1.06	0.94
His-Phe-Arg	ME978072	1.06	0.94
His-Lys-Met	ME978073	1.06	0.94
Deoxycholic acid glycine conjugate	ME977511	1.06	0.94
Camptothecin	ME977217	1.06	0.94
Asp-Leu-His-Ala-His	ME978158	1.06	0.94
Asn-Arg-Gln	ME978166	1.06	0.94
Arg-Phe-Arg	ME978172	1.06	0.94
6-Hydroxychlorzoxazone	ME978209	1.06	0.94
4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide	ME978230	1.06	0.94
3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol	ME977419	1.06	0.94
2,3-Dihydrobenzofuran	ME977441	1.06	0.94
(2R,3S,5S,8R,9S,10S,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol	ME978312	1.06	0.94
Trifluoperazine	ME977782	1.10	0.90
Tert-butyl 3-(iodomethyl)azetidine-1-carboxylate	ME977594	1.10	0.90
Ser-Asp-Asn	ME977935	1.10	0.90
pyrazole	ME977874	1.10	0.90
Oleic Acid-biotin	ME977982	1.10	0.90
N-Undecanoylglycine	ME977997	1.10	0.90
Nootkatol	ME977387	1.10	0.90
N-methylundec-10-enamide	ME977993	1.10	0.90
N-Coumaroyl serotonin	ME978001	1.10	0.90
N-(3-propan-2-yloxypropyl)-7H-purin-6-amine	ME977376	1.10	0.90
Imidapril	ME977173	1.10	0.90
D-phenylalanine	ME977274	1.10	0.90
Conessine	ME977375	1.10	0.90
Carnitine C4:DC	ME978140	1.10	0.90
Arg-Thr-Ala-Arg	ME978171	1.10	0.90
5-Chlorohydroxyquinone	ME978215	1.10	0.90
3-[(4-Hydroxy-3,5-dimethoxyphenyl)methyl]-4-[[4-[4-[[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenyl]-3-methoxyphenyl]methyl]oxolan-2-one	ME978235	1.10	0.90
2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate	ME978251	1.10	0.90
2-(1H-indol-3-yl)-2-oxoacetaldehyde	ME977247	1.10	0.90
2-Amino-1-phenylethanol	ME977225	1.10	0.90
Stearoylcarnitine	ME977591	1.11	0.89
PC(O-16:0/O-1:0)	ME977976	1.11	0.89
N-Desmethyl tapentadol	ME977999	1.11	0.89
Longicamphenylone	ME978034	1.11	0.89
Ile-Leu-Ala-Ile-Val	ME978064	1.11	0.89
Gly-Leu-Ser-Pro-Lys	ME978085	1.11	0.89
beta-Glycerophosphoric acid	ME977668	1.11	0.89
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol	ME978229	1.11	0.89
Ala-Thr-Ile-Lys	ME978187	1.11	0.89
Trp-Gln-Leu	ME977913	1.08	0.92
Sucrose	ME977357	1.08	0.92
Pinolenic Acid ethyl ester	ME977444	1.08	0.92
O,O-Diethyl hydrogen thiophosphate	ME977344	1.08	0.92
Lys-Leu-Thr-Arg	ME978026	1.08	0.92
Lecanoric acid	ME977457	1.08	0.92
JWH 018 N-(4,5-epoxypentyl) analog	ME978056	1.08	0.92
Hydroxyurea	ME977744	1.08	0.92
ganoderal A	ME977844	1.08	0.92
(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile	ME978304	1.08	0.92
3-Phenylpropyl isothiocyanate	ME977582	1.08	0.92
2-Propanoylthiazole	ME977482	1.08	0.92
3-[3-[(4-Fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid	ME978234	1.08	0.92
Turanose	ME977374	1.09	0.91
Thiourea	ME977316	1.09	0.91
PG(i-12:0/18:2(9Z,11Z))	ME977966	1.09	0.91
PE-NMe2(16:0/16:0)	ME977970	1.09	0.91
N-Benzyloxycarbonylglycine	ME977795	1.09	0.91
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]hexadecanamide	ME977181	1.09	0.91
Miconazole nitrate	ME977614	1.09	0.91
Methyl dioxindole-3-acetate	ME978007	1.09	0.91
LPE(18:1/0:0)	ME977172	1.09	0.91
Liriodenine	ME978035	1.09	0.91
Kinoprene	ME977484	1.09	0.91
Ergosterol peroxide	ME977631	1.09	0.91
DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)	ME978127	1.09	0.91
Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester	ME977179	1.09	0.91
5-O-Methyllicoricidin	ME977740	1.09	0.91
5-(Diphenylphosphinyl)pentanoic acid	ME977252	1.09	0.91
4-Aminophenol	ME977759	1.09	0.91
(4aR,5S,8aR)-5-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one	ME977643	1.09	0.91
Tyr-His-Ile-Glu	ME977905	1.01	0.99
Ser-Nap-OH	ME977932	1.01	0.99
Phe-Gly	ME977249	1.01	0.99
N-Acetyl-DL-methionine	ME977810	1.01	0.99
Methyl caprylate	ME977816	1.01	0.99
Met-His-OH	ME978014	1.01	0.99
Lys-Tyr-Val-Lys	ME978019	1.01	0.99
Lys-Leu-Asn-His-Gln	ME978027	1.01	0.99
Leucodelphidin	ME977140	1.01	0.99
Huperzine b	ME977849	1.01	0.99
Fluorodifen	ME977688	1.01	0.99
DL-Ornithine	ME977324	1.01	0.99
Diclofenac	ME977692	1.01	0.99
Dichlorvos	ME977315	1.01	0.99
Desoxycortone	ME977294	1.01	0.99
Cys-Arg-Met	ME978132	1.01	0.99
Cimetidine	ME977415	1.01	0.99
Chloroacetaldehyde	ME977837	1.01	0.99
Asn-Phe-Met	ME978161	1.01	0.99
Antanapeptin A	ME978184	1.01	0.99
Acrylamide	ME978191	1.01	0.99
7-Nitroindazole	ME978203	1.01	0.99
7-Hydroxywarfarin	ME977662	1.01	0.99
6-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)-1,3,5-triazine-2,4-diamine	ME977501	1.01	0.99
5-Methylthiopentanaldoxime	ME977540	1.01	0.99
5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid	ME977642	1.01	0.99
(4aR,6aS,6bR,12aS,12bR,14bS)-2,2,4a,6a,6b,9,12a-Heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14b-octadecahydropicene	ME978305	1.01	0.99
3-Hexanol	ME977314	1.01	0.99
(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid	ME977342	1.01	0.99
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide	ME978257	1.01	0.99
2-Amino-5-bromo-2^-chlorobenzophenone	ME977327	1.01	0.99
2,4-Diaminobutyric acid	ME977551	1.01	0.99
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	ME977500	1.01	0.99
2,3-Butanediol	ME977417	1.01	0.99
12-Ethyl-71,71-dihydroxy-8-isobutylbacteriochlorophyllide c	ME978272	1.01	0.99
1-Piperidinecarboxaldehyde	ME977589	1.01	0.99
trans-Anol	ME977630	1.00	1.00
Thr-Leu-Lys	ME977919	1.00	1.00
Quinalphos	ME977728	1.00	1.00
Polyvinyl chloride	ME977170	1.00	1.00
PC(8:0/8:0)	ME977650	1.00	1.00
N-(2-hydroxyethyl)icosanamide	ME978004	1.00	1.00
Methylarsonite	ME977592	1.00	1.00
Methyl 4-hydroxycinnamate	ME977648	1.00	1.00
Methyl 4-amino-3,5,6-trichloropicolinate	ME977708	1.00	1.00
Methoxsalen	ME977560	1.00	1.00
L-Octanoylcarnitine	ME977595	1.00	1.00
L-Lysine, L-valyl-L-valyl-	ME977243	1.00	1.00
Letrozole	ME977801	1.00	1.00
Indoleacetaldehyde	ME977588	1.00	1.00
Indole	ME977770	1.00	1.00
Ile-Val-Leu-Glu	ME978061	1.00	1.00
Ile-His-Arg-Arg	ME978065	1.00	1.00
Glu-Leu	ME977334	1.00	1.00
Fusidic acid	ME977261	1.00	1.00
Fenoxanil	ME977786	1.00	1.00
Drofenine	ME977674	1.00	1.00
Cythioate	ME977790	1.00	1.00
Chlorpropamide	ME977154	1.00	1.00
Carbaryl	ME978141	1.00	1.00
Calcium Metasilicate	ME977713	1.00	1.00
Bufexamac	ME977602	1.00	1.00
Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate	ME978150	1.00	1.00
8,9-Epoxyeicosatrienoic acid	ME977205	1.00	1.00
5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone	ME978214	1.00	1.00
3-(4-Methylpent-3-enyl)thiophene	ME977313	1.00	1.00
2^-Deoxyadenosine-5^-monophosphate	ME977284	1.00	1.00
2,2-Dimethylpentanoic acid	ME977776	1.00	1.00
1-Oleoyl-2-acetyl-sn-glycerol	ME977186	1.00	1.00
1-Octadecyl Lysophosphatidic Acid	ME977399	1.00	1.00
1-Benzyl-2-phenyl-1H-benzoimidazole	ME977239	1.00	1.00
1,3-Propanediol	ME977430	1.00	1.00
15d-Prostaglandin A1	ME977353	1.00	1.00
Zoledronic acid	ME977778	0.99	1.01
Valproic acid	ME977138	0.99	1.01
Tyr-Trp-Cys	ME977900	0.99	1.01
Trilinolein	ME977916	0.99	1.01
Tetradecanal	ME977753	0.99	1.01
Tebutam	ME977519	0.99	1.01
Stearidonic acid	ME977636	0.99	1.01
Soyasapogenol B 24-O-b-D-glucoside	ME977788	0.99	1.01
(S)-(+)-2-Hydroxy-3-methylbutyric acid	ME977665	0.99	1.01
N-[2-(3,4-Dihydroxyphenyl)ethyl]hexadecanamide	ME977726	0.99	1.01
Metformin hydrochloride	ME977809	0.99	1.01
Lys-Ile-Val-Lys	ME978028	0.99	1.01
L-prolyl-L-tyrosine	ME978052	0.99	1.01
Ile-Thr-Val-Lys-Leu	ME978062	0.99	1.01
Euscaphic acid	ME977395	0.99	1.01
Chloromethyl methyl ether	ME977836	0.99	1.01
Cephemimycin	ME977524	0.99	1.01
Benzamidine	ME977320	0.99	1.01
Aniline	ME977317	0.99	1.01
Ammodendrine	ME977443	0.99	1.01
7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide	ME977616	0.99	1.01
4-Pentyn-1-ol	ME977383	0.99	1.01
4-Methylhexanoic acid	ME977686	0.99	1.01
4-Chlorobenzenesulfonamide	ME978225	0.99	1.01
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine	ME978228	0.99	1.01
3-(p-Coumaroyl)ursolic acid	ME978244	0.99	1.01
3-Methyloxindole	ME978238	0.99	1.01
3,3^,4,4^-Tetrachlorobiphenyl	ME978246	0.99	1.01
2-Aminoacetophenone	ME977326	0.99	1.01
16,16-dimethyl-PGE1	ME977488	0.99	1.01
1-Aminocyclopropanecarboxylic acid	ME977622	0.99	1.01
Ser-Ile-Asn-Lys	ME977934	1.05	0.95
Pov-pc	ME977762	1.05	0.95
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME977974	1.05	0.95
Obacunone	ME977227	1.05	0.95
N,-N-diacetyl-O-methylhydroxylamine	ME977741	1.05	0.95
Nicotine	ME977987	1.05	0.95
Misoprostol	ME977338	1.05	0.95
Lys-His-Met	ME978029	1.05	0.95
ganoderol A	ME977845	1.05	0.95
(+-)-Ethyl 3-hydroxy-2-methylbutyrate	ME977574	1.05	0.95
(+)-Cloprostenol methyl amide	ME978317	1.05	0.95
Asn-Glu-Lys	ME978164	1.05	0.95
4-(3,4-Dichlorophenyl)-2-hydrazino-6-(trifluoromethyl)pyrimidine	ME977188	1.05	0.95
2-Methylpropyl hexanoate	ME977843	1.05	0.95
{2,6-dimethoxy-4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid	ME977872	1.05	0.95
10E,12Z-Octadecadienoic acid	ME977605	1.05	0.95
1-Benzyl-3-cetyl-2-methylimidazolium iodide	ME977573	1.05	0.95
Val-Arg-Ala-Glu	ME977898	1.04	0.96
trans-p-Menthane-1,8-diol	ME977359	1.04	0.96
Soyasapogenol B	ME977336	1.04	0.96
Pargyline	ME977369	1.04	0.96
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadiazol-4-YL)amino]hexanamide	ME977792	1.04	0.96
Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate	ME978005	1.04	0.96
Metronidazole	ME977475	1.04	0.96
LPC(0:0/18:3)	ME978051	1.04	0.96
Lidocaine	ME977722	1.04	0.96
Hexetidine	ME978078	1.04	0.96
gamma-Linolenic Acid	ME977426	1.04	0.96
Fluphenazine sulfoxide	ME978097	1.04	0.96
Etilamfetamine	ME978104	1.04	0.96
Ethyl tetradecanoate	ME977755	1.04	0.96
Dibucaine	ME977193	1.04	0.96
Curcumol	ME977448	1.04	0.96
Carbaprostacyclin-biotin	ME978142	1.04	0.96
Bis(chloromethyl) ether	ME977379	1.04	0.96
9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid	ME977609	1.04	0.96
4-tert-Butylbenzoic acid	ME977144	1.04	0.96
2-Thiophenethiol	ME977215	1.04	0.96
2-Pyrimidin-2-yl-propionic acid	ME977203	1.04	0.96
2-Chlorobenzophenone	ME977412	1.04	0.96
2-Phenylphenol	ME977171	1.04	0.96
Treosulphan	ME977559	1.03	0.97
Sphinganine	ME977223	1.03	0.97
Phytosphingosine	ME977371	1.03	0.97
Panaxatriol	ME977536	1.03	0.97
Octylamine	ME977984	1.03	0.97
Methyl 5-bromo-2-fluoro-3-nitrobenzoate	ME978008	1.03	0.97
Methanophenazine	ME978010	1.03	0.97
Lys-Ala-Leu-Glu	ME978031	1.03	0.97
Glyphosate	ME978082	1.03	0.97
Glycerol 1-myristate	ME978083	1.03	0.97
Fenothiocarb	ME977309	1.03	0.97
Eudesobovatol B	ME978103	1.03	0.97
Dropropizine	ME978109	1.03	0.97
D-Nmappd	ME977512	1.03	0.97
DL-Citrulline	ME978123	1.03	0.97
Diprogulic Acid	ME977656	1.03	0.97
Diallyl trisulfide	ME977635	1.03	0.97
Carnitine	ME977492	1.03	0.97
Calcitriol	ME977542	1.03	0.97
Brassinolide	ME977245	1.03	0.97
benfluralin	ME977881	1.03	0.97
Amantadine	ME977219	1.03	0.97
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc	ME977882	1.03	0.97
4-(Aminomethyl)pyrimidine	ME977468	1.03	0.97
4-(2-Thienyl)-6-(trifluoromethyl)pyrimidin-2-ol	ME977270	1.03	0.97
4-(2-Pyridylazo)-N,N-dimethylaniline	ME977737	1.03	0.97
3-Penten-2-one	ME977311	1.03	0.97
3-Palmitoyl-sn-glycerol	ME978236	1.03	0.97
3,5,5-Trimethyl-2-cyclohexen-1-one	ME977214	1.03	0.97
2-Furancarboxaldehyde	ME978262	1.03	0.97
2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol	ME978252	1.03	0.97
2-Aminobenzenesulfonamide	ME977531	1.03	0.97
1,1-dioxo-N-prop-2-enylthiolan-3-amine	ME977646	1.03	0.97
1-beta-D-Galactosylsphingosine	ME978276	1.03	0.97
Tumonoic acid A	ME977907	1.02	0.98
Tribenuron-methyl	ME977862	1.02	0.98
Salicyluric acid	ME977451	1.02	0.98
Pivalanilide	ME977279	1.02	0.98
Phe-Tyr-Val-Lys	ME977952	1.02	0.98
PC(18:0/18:2)	ME977576	1.02	0.98
Paromamine	ME977388	1.02	0.98
Oleoyl Ethanolamide-d4	ME977981	1.02	0.98
Nomifensine maleate	ME977535	1.02	0.98
Nbd-ceramide	ME977150	1.02	0.98
Methoxybauerenol	ME977822	1.02	0.98
L-Norleucine	ME977537	1.02	0.98
Goshonoside F2	ME977166	1.02	0.98
Genistein	ME977473	1.02	0.98
Ethanethioic acid	ME977425	1.02	0.98
Dichlofluanid	ME977829	1.02	0.98
Butopyronoxyl	ME977393	1.02	0.98
Biliverdin	ME977793	1.02	0.98
Arg-Val-Phe-Asp-Lys	ME978168	1.02	0.98
all-trans-Carophyll yellow	ME977819	1.02	0.98
Acylsucrose S4:17[2](2,5,5,5)	ME978190	1.02	0.98
5-Aminopentanoic acid	ME977280	1.02	0.98
5-(3^,5^-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl	ME978217	1.02	0.98
(4-Bromophenylsulfanyl)pyruvic acid	ME978306	1.02	0.98
3-Hydroxybenzoic acid	ME978239	1.02	0.98
3,3-Difluoroandrostane-17-ol acetate	ME977657	1.02	0.98
[(2S,3R,4R,6R)-3-hydroxy-2-methyl-6-(12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)oxan-4-yl]azanium	ME977888	1.02	0.98
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate	ME977211	1.02	0.98
2-Amino-5,6-dihydro-4H-1,3-thiazine	ME977553	1.02	0.98
2,6-Cyclolycopene-1,5-diol	ME977618	1.02	0.98
25B-NBOMe	ME978247	1.02	0.98
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol	ME977493	1.02	0.98
1,3-Thiazole-2-Sulfonamide	ME977796	1.02	0.98
1-Phenyl-1-propanone	ME977157	1.02	0.98
Thidiazuron	ME977411	1.33	0.67
Pyridoxamine	ME977192	1.33	0.67
LPC(20:5/0:0)	ME978048	1.33	0.67
LPC(14:0/0:0)	ME977634	1.33	0.67
LPC(0:0/20:4)	ME977273	1.33	0.67
Hydroxyecdysone	ME978066	1.33	0.67
Arg-Glu-Ala-Phe-Arg	ME978177	1.33	0.67
Adenylylselenate	ME977168	1.33	0.67
1-18:1-lysoPE	ME978291	1.33	0.67
7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine	ME978201	1.33	0.67
Biuret	ME978147	1.34	0.66
LPC(16:1/0:0)	ME977220	1.34	0.66
Menadiol disulfate	ME977561	1.30	0.70
Imibenconazole	ME977185	1.30	0.70
Flusulfamide	ME977838	1.30	0.70
Glycerophospho-N-Palmitoyl Ethanolamine	ME977866	1.30	0.70
Thionicotinamide	ME977465	1.31	0.69
Oxalic acid	ME977702	1.31	0.69
Mycinamicin IV	ME977241	1.31	0.69
LPE(18:2/0:0)	ME977191	1.31	0.69
Licoricesaponin B2	ME977775	1.31	0.69
Hydrogen oxalate	ME977162	1.31	0.69
Diphenyleneiodonium	ME977601	1.31	0.69
Chlomethoxyfen	ME977534	1.31	0.69
8,12-iso-iPF2-VI 1,5- lactone	ME978199	1.31	0.69
2-Phenylpropylamine	ME977348	1.31	0.69
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-(selanylsulfanyl)propan-2-yl]amino}-5-oxopentanoate	ME978310	1.31	0.69
Pentamycin	ME977267	1.32	0.68
N-trans-Feruloyloctopamine	ME977277	1.32	0.68
Myosmine	ME977394	1.32	0.68
Gingerglycolipid A	ME978092	1.32	0.68
Feruloylputrescine	ME977435	1.32	0.68
Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate	ME977539	1.32	0.68
Esculetin	ME977552	1.32	0.68
D-Fructose-6-phosphate	ME977289	1.32	0.68
(-)-Epicatechin	ME977446	1.32	0.68
Thiram	ME977723	1.29	0.71
Phlorin	ME977572	1.29	0.71
Neu5Ac2-6Gal1-4GlcSp	ME977988	1.29	0.71
Methyl cholate	ME977700	1.29	0.71
His-Lys-Gln-Lys	ME978074	1.29	0.71
Adenosine	ME977351	1.29	0.71
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	ME977890	1.29	0.71
4-Pentenoic acid	ME977340	1.29	0.71
Riboflavin	ME977196	1.28	0.72
Profenofos	ME977490	1.28	0.72
Phlorizin	ME977331	1.28	0.72
Gln-Gln-Ser	ME978090	1.28	0.72
DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)	ME978126	1.28	0.72
Chloramine	ME977840	1.28	0.72
5,7-Dichlorokynurenic acid	ME978218	1.28	0.72
2-(2-nitrophenyl)-2,3-dihydro-1H-perimidine	ME977240	1.28	0.72
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	ME977883	1.28	0.72
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide	ME977458	1.24	0.76
3-Bromo-7-nitroindazole	ME977235	1.24	0.76
C24:1 Sphingomyelin	ME977151	1.24	0.76
Indoleacetic acid	ME977182	1.27	0.73
Heptadecanoyl carnitine	ME977839	1.27	0.73
{2-[(9E)-hexadec-9-enoyloxy]ethyl}trimethylazanium	ME977871	1.27	0.73
Dihydroconiferyl alcohol	ME978117	1.27	0.73
Pro-Lys	ME977250	1.26	0.74
P1,P4-Bis(5^-adenosyl) tetraphosphate	ME977978	1.26	0.74
Maslinic acid	ME977478	1.26	0.74
Jasmone	ME977447	1.26	0.74
Homobaldrinal	ME977269	1.26	0.74
Fendiline	ME978101	1.26	0.74
Ethyl alpha-linolenate	ME978105	1.26	0.74
Curtisian O	ME978133	1.26	0.74
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	ME977578	1.26	0.74
Bicalutamide	ME977167	1.26	0.74
Val-Tyr-Gln-Lys	ME977893	1.25	0.75
Pentyl hexanoate	ME977380	1.25	0.75
Leukotriene D4 methyl ester	ME978036	1.25	0.75
Glutamine	ME977360	1.25	0.75
4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione	ME977283	1.25	0.75
Allantoic acid	ME977139	1.25	0.75
L-Phenylalanine	ME977304	1.45	0.55
1-Meadoyl-3-meadoyl-sn-glycerol	ME978288	1.45	0.55
L-Isoleucine	ME978053	1.45	0.55
SB 221284	ME977644	1.44	0.56
N-(3,5-Dichlorophenyl)succinimide	ME978003	1.44	0.56
Gly-Arg-Lys	ME978086	1.44	0.56
C24 Sphingomyelin	ME977329	1.44	0.56
1-Stearoyl-2-palmitoyl-sn-glycerol	ME978279	1.44	0.56
Biosone	ME977460	1.44	0.56
NSC 23766 trihydrochloride	ME977990	1.43	0.57
Crustacean Erythrophore Concentrating Hormone	ME977505	1.43	0.57
Geodin	ME977483	1.43	0.57
Protoveratrine B	ME977751	1.48	0.52
Caffeine	ME978144	1.46	0.54
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	ME977647	1.47	0.53
4-Chloro-3-nitrobenzoic acid	ME977149	1.47	0.53
methyl (1S,15R,17S,18S)-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate	ME977454	1.37	0.63
His-Thr-Lys-Lys	ME978070	1.37	0.63
1-Pentadecanoyl-2-tetradecanoyl-glycero-3-phosphoethanolamine	ME978283	1.37	0.63
CE(MonoMe(11,3))	ME978145	1.37	0.63
Proline betaine	ME977459	1.38	0.62
PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	ME977971	1.38	0.62
5-(7-Acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl)-2-methylpenta-2,4-dienoic acid	ME978216	1.38	0.62
Cucurbitacin P	ME977593	1.38	0.62
LPE(16:1/0:0)	ME978046	1.36	0.64
Gentian violet cation	ME977701	1.36	0.64
Formylisoglutamine	ME978095	1.36	0.64
DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	ME978125	1.36	0.64
beta-Alanine	ME977834	1.36	0.64
1-Stearoyl-2-vaccenoyl-sn-glycero-3-phosphocholine	ME978278	1.36	0.64
1-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine	ME978295	1.36	0.64
(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene	ME978316	1.36	0.64
Phe-Thr-Asn-Lys	ME977953	1.35	0.65
{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid	ME977870	1.35	0.65
4-Chloronitrosobenzene	ME977156	1.35	0.65
LPC(15:0/0:0)	ME978050	1.42	0.58
(Cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithylgylcyl-L-seryl)ato(3-))iron	ME977611	1.42	0.58
Arg-Lys-His	ME978174	1.42	0.58
Aloesin	ME977548	1.42	0.58
10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	ME977463	1.42	0.58
1-O-Hexadecyl-sn-glycero-3-phosphocholine	ME977403	1.42	0.58
Phe-Ile-His-Arg	ME977957	1.41	0.59
Arg-Val-Asn-His-Val	ME978169	1.41	0.59
Leu-Val-Val-Val-Asp	ME978038	1.41	0.59
Tebuconazole	ME977832	1.39	0.61
Rel-zanthodioline	ME977938	1.39	0.61
Dinoseb	ME977178	1.39	0.61
4-Aminophenylsulfur Pentafluoride	ME977557	1.39	0.61
1-Stearoyl-2-arachidonoylglycerol	ME977282	1.39	0.61
3beta-Hydroxy lanostane-7,11-dione acetate	ME977281	1.39	0.61
Umbelliferone	ME977158	1.40	0.60
Secoisolariciresinol	ME977564	1.40	0.60
4-(Trifluoromethyl)pyrimidine-2-carbaldehyde	ME978227	1.40	0.60
Arachidonic acid-biotin	ME978182	1.40	0.60
Trp-Tyr-His	ME977910	1.71	0.29
Fidaxomicin Metabolite OP-1118	ME978099	1.70	0.30
PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	ME977965	1.70	0.30
Promegestone	ME977526	1.74	0.26
Goyaglycoside h	ME977529	1.73	0.27
PG(a-13:0/i-14:0)	ME977967	1.73	0.27
11-Keto-beta-boswellic acid	ME977671	1.49	0.51
Roxarsone	ME977766	1.49	0.51
Smilagenin	ME977746	1.50	0.50
LPE(14:0/0:0)	ME978047	1.50	0.50
EUK 134	ME977206	1.50	0.50
Ile-Lys-Arg-Asp-Phe	ME978063	1.50	0.50
erythromycin A(1+)	ME977879	1.52	0.48
1-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine	ME978293	1.52	0.48
2-Octanamidoacetic acid	ME977706	1.52	0.48
Piperidine	ME977947	1.51	0.49
Aloin	ME977569	1.51	0.49
Imipraminoxide	ME978059	1.51	0.49
6-Hydroxyflavanone	ME977485	1.53	0.47
1-Palmitoyl-3-osbondoyl-sn-glycerol	ME978284	1.53	0.47
2-[(2^-Methylthio)heptyl]maleate	ME978255	1.53	0.47
Phoenicoxanthin	ME977949	1.54	0.46
GENALKDAK/2_0	ME978094	1.54	0.46
3-Amino-2-naphthoic acid	ME977335	1.54	0.46
[4-(5,7-dihydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid	ME977884	1.54	0.46
Lys-Phe-Lys-Met-Lys	ME978023	1.55	0.45
Repaglinide	ME977729	1.56	0.44
Oleic acid	ME977804	1.56	0.44
Marmesin	ME977717	1.56	0.44
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione	ME977720	1.56	0.44
[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-3,8-diacetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2^-oxirane]-2-yl] 2-acetyloxy-2-methylbutanoate	ME977891	1.56	0.44
2-Hexaprenyl-6-hydroxyphenol	ME978260	1.56	0.44
His-Ala-Glu-Asp-Gly	ME978077	1.57	0.43
Losartan 3-[(nitrooxy)methyl]benzoate	ME978033	1.57	0.43
Ala-Leu-Val-Lys-Ala	ME978189	1.64	0.36
Torachrysone 8-O-Glucoside	ME977293	1.65	0.35
Lyso-PAF c-18	ME977248	1.65	0.35
Formononetin 7-O-glucoside-6^^-O-malonate	ME978096	1.65	0.35
Ginkgolic acid	ME977613	1.65	0.35
Ozagrel	ME977199	1.68	0.32
Thioetheramide PC	ME977784	1.67	0.33
Selfotel	ME977820	1.61	0.39
2-Methoxy-6-all-trans-nonaprenylhydroquinone	ME978258	1.61	0.39
Pgp(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	ME977961	1.61	0.39
Methacycline	ME977164	1.63	0.37
Sesamol	ME977390	1.62	0.38
Fucoxanthin	ME977527	1.62	0.38
L-Leucyl-L-alanine	ME977244	1.62	0.38
5alpha-Campestane	ME977424	1.58	0.42
Taurolithocholic acid	ME977413	1.58	0.42
1-octadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine	ME978273	1.59	0.41
Phosphonoacetaldehyde	ME977684	1.59	0.41
2,6-Diaminooimelic Acid	ME977347	1.60	0.40
Barbaloin	ME977707	1.60	0.40
HC Blue no. 2	ME977530	0.01	1.99
5,7-Dimethoxyflavanone	ME977847	0.02	1.98
Araliacerebroside	ME978181	0.02	1.98
2-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-6-methylhept-6-enoic acid	ME977579	0.09	1.91
Pinostrobin chalcone	ME977652	0.10	1.90
4,4^-Diaponeurosporene	ME977385	0.04	1.96
DG(18:3(6Z,9Z,12Z)/16:0/0:0)	ME978128	0.07	1.93
FFA(12:1)	ME977603	0.07	1.93
5,7-Dimethoxyflavone	ME977821	0.05	1.95
3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid	ME978232	0.06	1.94
Diisononyl phthalate	ME978115	0.06	1.94
Ticlopidine	ME977372	0.62	1.38
Pachyrrhizin	ME977863	0.62	1.38
[2,6-Dihydroxy-4-({[5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid	ME977886	0.62	1.38
Dihydromethanophenazine	ME978116	0.62	1.38
Methiothepin	ME978009	0.63	1.37
3,4-Diphenyl-7-hydroxycoumarin	ME977522	0.63	1.37
4-Hydroxybutanoate	ME977734	0.63	1.37
13^-Carboxy-alpha-tocopherol	ME978271	0.60	1.40
1,2-Dioleoyl-sn-Glycero-3-Phosphocholine	ME977486	0.61	1.39
Tetraethyl pyrophosphate	ME977835	0.61	1.39
Pipericine	ME977948	0.65	1.35
N2,N2-Dimethylguanosine	ME977623	0.65	1.35
(2S)-2-amino-3-[[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid	ME978311	0.65	1.35
L-Alanyl-gamma-D-glutamyl-L-lysine	ME978054	0.65	1.35
3-Vinyl-1,2-dithiacyclohex-4-ene	ME977312	0.64	1.36
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	ME977964	0.64	1.36
5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	ME977538	0.67	1.33
Ganoderic acid A	ME977204	0.67	1.33
N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide	ME977584	0.66	1.34
Naptalam	ME977735	0.66	1.34
(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate	ME978314	0.50	1.50
Acetazolamide	ME977341	0.51	1.49
Chlorthiophos	ME977328	0.51	1.49
His-Gln-Thr	ME978075	0.52	1.48
TG(16:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))	ME977926	0.53	1.47
Tyr-Glu-Arg-Arg	ME977906	0.53	1.47
(S)-Methylmalonic acid semialdehyde	ME977137	0.56	1.44
Polyporusterone A	ME977709	0.56	1.44
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide	ME978296	0.56	1.44
Hv-NCC-1	ME977727	0.56	1.44
Disodium 2-hydroxypentanedioate	ME977491	0.55	1.45
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine	ME978275	0.55	1.45
3-Phosphoglycerate	ME977202	0.55	1.45
Goniodomin A	ME977800	0.59	1.41
Flavone	ME977404	0.59	1.41
2,3-Dihydroxy-4-methoxybenzoic acid	ME977496	0.59	1.41
4-(4-Chlorophenyl)-6-(difluoromethyl)-2-(ethylsulfonyl)pyrimidine	ME977187	0.59	1.41
3-(11,12-Dihydroxy-15,19-dotriacontadienyl)-5-methyl-2(5H)-furanone, 9CI	ME977655	0.58	1.42
(R)-3,3-dimethylmalic acid	ME978302	0.58	1.42
Desmethylalborixin	ME977508	0.17	1.83
Verimol B	ME977626	0.28	1.72
(2S,3R)-5-hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one	ME977739	0.27	1.73
2,6-Dichloro-3-phenylpyridine	ME977654	0.26	1.74
2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate	ME977503	0.26	1.74
12-Hydroxydodecanoic acid	ME977428	0.22	1.78
JWH 200-d5	ME977679	0.24	1.76
4-Chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol	ME977861	0.48	1.52
(5-methyl-2-methylidenehexyl) (Z,2S)-2-hydroxy-6-[(1S,4Z,6E,9R,11R,12S,13S,14E,16Z,19E,21R,23R,24R)-11-hydroxy-24-(hydroxymethyl)-12,15,24-trimethyl-3-oxo-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-23-yl]hex-4-enoate	ME978303	0.47	1.53
Phe4Cl-Abu-OH	ME977951	0.47	1.53
Phe-Lys-His	ME977955	0.45	1.55
Asn-Tyr-Asp-Arg	ME978160	0.45	1.55
Octadecylamine	ME977752	0.45	1.55
Maltopentaose	ME977520	0.43	1.57
Tricosane	ME977299	0.43	1.57
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME977973	0.38	1.62
Stachyose	ME977462	0.39	1.61
Purmorphamine	ME977455	0.40	1.60
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine	ME977517	0.40	1.60
Cer(d18:1/24:1(15Z))	ME978137	0.40	1.60
Aromatized deshydroxy-C-1027 chromophore	ME978167	0.36	1.64
Tuberostemonine	ME977908	0.35	1.65
Ser-Ser-Val-Gln-Glu	ME977931	0.35	1.65
Pectolinarigenin	ME977407	0.35	1.65
3,4-Dimethyl-5-pentyl-2-furantridecanoic acid	ME977352	0.35	1.65
3^-N^-Acetylfusarochromanone	ME977767	0.35	1.65
Bis(2-ethylhexyl) phthalate	ME977783	0.30	1.70
Ciprofibrate	ME978135	0.33	1.67
3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one	ME977222	0.32	1.68
Ile-ile-thr	ME978060	0.32	1.68

Factors:

F1	Sample date:3 day \| \| Group:T-G3
F2	Sample date:9 day \| \| Group:T-G9

Data matrix