Putative metabolite annotations were assigned using accurate precursor masses, adduct information and available MS/MS fragment spectra. Spectra were compared with HMDB, MassBank, LIPID MAPS, mzCloud, KEGG and the analytical laboratory's in-house reference database. A mass-error threshold of less than 30 ppm was used for database matching; MS/MS fragments were compared with reference spectra where available.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Chromatography was performed on a Thermo Fisher Scientific Vanquish UHPLC system with a Waters ACQUITY UPLC HSS T3 column (2.1 x 100 mm, 1.8 um). The column temperature was 40 degrees C, flow rate was 0.3 mL/min, and injection volume was 2 uL. For positive-ion analysis, mobile phase A was water with 0.1% formic acid and B was acetonitrile with 0.1% formic acid. For negative-ion analysis, A was 5 mM aqueous ammonium formate and B was acetonitrile. The gradient was 8% B at 0-1 min, 8-98% B at 1-8 min, 98% B at 8-10 min, 98-8% B at 10-10.1 min, and 8% B at 10.1-12 min.
"],"publication":["Untargeted LC-MS metabolomics of feces, intestinal contents and serum from mice."],"submitter_name":["Qing jie Wei"],"submitter_affiliation":["Huazhong Agricultural University"],"organism_part":["blood serum","experimental blank","feces","intestinal content"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Fecal and intestinal-content samples were extracted with 600 uL methanol containing 4 ppm 2-chloro-L-phenylalanine. Samples were vortexed for 30 s, bead-milled at 50 Hz for 120 s, sonicated at room temperature for 10 min, and centrifuged at 12,000 rpm and 4 degrees C for 10 min. Supernatants were filtered through 0.22 um membranes. Serum samples were thawed at 4 degrees C and vortexed for 1 min. An aliquot was mixed with 400 uL methanol, vortexed for 1 min, and centrifuged at 12,000 rpm and 4 degrees C for 10 min. The supernatant was dried, reconstituted in 150 uL of 80% aqueous methanol containing 20 ppm 2-chloro-L-phenylalanine, and filtered through a 0.22 um membrane. Pooled QC samples were prepared by combining aliquots of processed study samples.
"],"organism":["Mus musculus","blank"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15740"],"author":["Lingyan Ma. Zhejiang Academy of Agricultural Sciences. maly1124@163.com."],"data_transformation_protocol":["Raw mass-spectrometry files were converted to mzXML with MSConvert in ProteoWizard v3.0.8789. Features were detected, retention times corrected, and peaks aligned using XCMS v3.12.0 in R with the centWave method (ppm=15, peakwidth=5-30 s, bw=2, mzwid=0.015, mzdiff=0.01). QC-based support vector regression was used to correct systematic variation. Features with a relative standard deviation greater than 30% in QC samples were excluded from subsequent analysis.
"],"study_factor":["Sample material"],"submitter_email":["qjweia@163.com"],"sample_collection_protocol":["Mouse fecal, intestinal-content and serum specimens were included in this untargeted LC-MS study. Biological samples, pooled quality-control samples and analytical blanks are identified in the sample metadata. The analytical laboratory reports do not specify the animal sampling procedure, sampling time points or pre-extraction storage conditions.
"],"omics_type":["Metabolomics"],"study_design":["pooled quality control sample","Metabolomics","Mus musculus","Thermo Fisher Scientific Vanquish UHPLC System","blank","untargeted analysis","liquid chromatography-mass spectrometry","intestinal content","experimental sample","blank sample","blood serum","Thermo Fisher Scientific Q Exactive","untargeted metabolites","experimental blank","feces"],"curator_keywords":["pooled quality control sample","Metabolomics","Mus musculus","Thermo Fisher Scientific Vanquish UHPLC System","blank","untargeted analysis","liquid chromatography-mass spectrometry","intestinal content","experimental sample","blank sample","blood serum","Thermo Fisher Scientific Q Exactive","untargeted metabolites","experimental blank","feces"],"mass_spectrometry_protocol":["Mass spectra were acquired on a Thermo Fisher Scientific Q Exactive mass spectrometer with an electrospray ionization source in separate positive- and negative-ion runs. Spray voltage was 3.50 kV in positive mode and -2.50 kV in negative mode. Sheath gas and auxiliary gas settings were 40 and 10 arbitrary units, respectively, and capillary temperature was 325 degrees C. Full-scan MS1 data were acquired over m/z 100-1000 at a resolution of 70,000. Data-dependent MS/MS selected the top 10 ions per cycle, using HCD at 30 eV and an MS/MS resolution of 17,500; dynamic exclusion was automatic.
"],"metabolite_name":["2-Furoate","Norsolorinic acid","(2S,5S)-trans-Carboxymethylproline","Corticosterone","Methionine sulfoximine","Adefovir Dipivoxil","Austin","Alantolactone","Imidazolelactic acid","gamma-Aminobutyric acid","Ectoine","Kinetin","Hydroxyatrazine","Ergonovine","Ketoleucine","2-Keto-6-acetamidocaproate","Timolol","N-Succinyl-2-amino-6-ketopimelate","N-Carboxyethyl-g-aminobutyric acid","Bifenazate","SDS","Amitraz","Prostaglandin H2","3-Methyl-3-hydroxypentanedioate","Scopoletin","4,4'-Dihydroxy-alpha-methylstilbene","Propoxyphene","Benzoate","Amphetamine","D-Psicose","N-Benzoyl-4-methoxyanthranilate","Lupinine","11b-PGF2a","Inuline","N-Acetyl-D-tryptophan","Naringenin chalcone","Ipratropium","Simeconazole","Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)","alpha-Camphorene","9-cis-Retinoic acid","Prostaglandin E2","Prostaglandin E1","Pilocarpine","Griseofulvin","N-Amidino-L-glutamate","N-Benzoyl-4-hydroxyanthranilate","Agnuside","N6-Acetyl-L-lysine","3''-Amino-3''-deoxygentamicin A2","Hordenine","Maltitol","Molindone","6beta-Hydroxytestosterone","13S-hydroxyoctadecadienoic acid","DHHA","L-Theanine","7-Dehydrodesmosterol","6-Methylquinoline","Triethyl citrate","2,4,12-Octadecatrienoic acid isobutylamide","Lupan-3beta,20-diol","alpha-Ergocryptine","L-phenylalanyl-L-proline","Caffeic acid","Glutarate semialdehyde","Perillyl alcohol","16-Oxopalmitate","Ritodrine","Salicylamide","Isradipine","17beta-Acetamidoandrost-4-en-3-one","Cyazofamid","Pantothenic acid","Levetiracetam","Vindoline","Yohimbine","3-Indoleacrylate","D-Lyxose","6-Benzylaminopurine","4-Hydroxyphenyl acetate","SULFADIMETHOXINE","Xanthurenic acid","Mecamylamine","Florasulam","Saquinavir","Metalaxyl","Estradiol-17beta","Kanamycin","Neosaxitoxin","Procyclidine","gamma-Glutamyltyramine","trans-Isoasarone","4-Acetamido-2-aminobutanoic acid","Carmustine","6-Hydroxytryprostatin B","Gentamicin A","Prostaglandin D2","3alpha,11beta-Dihydroxy-5alpha-androstane-17-one","13,14-Dihydro-15-keto-PGE2","Oxiconazole","Neamine","Lithocholic acid glycine conjugate","16-Hydroxytabersonine","Fluvoxamine","3-Methyladenine","D-Glucose","Indole","p-Methoxycinnamaldehyde","Lovastatin","3-Methylindolepyruvate","Dextromethorphan","11-Deoxocucurbitacin I","Prostaglandin A1","Diazinon","4-(beta-D-Glucosyloxy)benzoate","5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one","Norpropoxyphene","Beta-tocopherol","Isocitric acid","3-Methyloxindole","Indolin-2-one","L-Carnitine","3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate","Venlafaxine","Avocadene 2-acetate","Diethylpropion","D-Lysopine","(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide","5beta-Pregnane-3,20-dione","Adenosine","Dihydroactinidiolide","(1S,2R,4S)-(-)-Bornyl acetate","9-OxoODE","Prostaglandin B1","Indolepyruvate","Lycopodine","Drospirenone","Prostaglandin B2","2-Methyl-6-phytylhydroquinone","Guanidoacetic acid","Linoleic acid","Precocene II","Methylacetoacetic acid","Campesterol","2,3-Dinor-8-iso prostaglandin F2alpha","17a,21-Dihydroxy-5b-pregnane-3,11,20-trione","Sorbose 1-phosphate","Tangeretin","Isopimpinellin","L-Phenylalanine","5-Methylcytosine","N-Butyryl-L-homoserine lactone","5,5'-Dehydrodivanillate","N-Acetyl-D-galactosamine","Docosahexaenoic acid","Methyl farnesoate","Morphinone","Oleanolic acid","Vaccenic acid","Propanoyl phosphate","Coumafuryl","Sphingosine","Uracil 5-carboxylate","3-Epidemissidine","Gibberellin A7","Gibberellin A4","5(S)-HpETE","Luteolin 7-galactoside","Cyclobenzaprine","N(omega)-Hydroxyarginine","L-Prolinamide","Neriifolin","Phenylacetaldehyde","alpha-Spinasterol","Parathion","Geranyl acetate","Troleandomycin","Stearolic acid","Cyclopeptine","Tabernamine","Clindamycin","Noroxycodone","Rifamycin","1-O-Hexadecyl-sn-glycerol","Bufotalin","Quinmerac","2-Naphthol","1-Methylnicotinamide","Lauryltrimethylaminium bromide","Sterigmatocystin","D-Ornithine hydrochloride","N1,N8-Bis(4-coumaroyl)spermidine","Tyrosyl-Alanine","Dihydroanhydropodorhizol","Flunisolide","(S)-3-Hydroxydodecanoyl-CoA","Riboflavin reduced","Desaminotyrosine","4-Fumarylacetoacetate","7-Methylguanine","1-Methyladenine","Oleoyl Ethanolamide","Abietate","Desmedipham","Acetylcholine chloride","Veratramine","Levonorgestrel","Pipecolic acid","Ranolazine","Nopaline","3D-3,5_4-Trihydroxycyclohexane-1,2-dione","Mirtazapine","Methotrimeprazine","2,6-Dimethoxy-1,4-benzoquinone","Sakuranetin","Kaempferol-3-O-galactoside","Hexaflumuron","(S)-Canadine","6-Hydroxynicotinic acid","p-Fluorophenylalanine","Adrenosterone","Taxusin","Zaleplon","L-2,4-diaminobutyric acid","Carnitine","Hydroquinone","4-Fluoro-L-threonine","5-Guanidino-3-methyl-2-oxopentanoate","metolachloor","16-Methoxy-2,3-dihydro-3-hydroxytabersonine","15-Demethoxy-epsilon-rhodomycin","Abscisic acid glucose ester","Practolol","Prostaglandin I2","3-Oxalomalate","Cafestol","5-Methoxyindoleacetate","Genistein","Diisooctyl phthalate","1,5-Anhydrosorbitol","Ferroxamine","Propylthiouracil","Thyrotropin releasing hormone","2-Hydroxy-3-oxoadipate","N,N-Dimethyl-1,4-phenylenediamine","cis-Aconitic acid","EPA (d5)","Methyl linoleate","Carbimazole","Butyryl-L-carnitine","Gramine","Prostaglandin J2","13,16,19-Docosatrienoic acid","L-Rhamnofuranose","Thymine","Pelargonic acid","1-Methyladenosine","Tamsulosin","Testosterone Propionate","D-Ribose","Maltol","Sinomenine","N-Formyl-L-glutamic acid","15-Keto-prostaglandin F2a","1-Naphthol","9,10-Phenanthroquinone","Licochalcone A","L-Alanyl-gamma-D-glutamyl-L-lysine","Arachidic acid","Zinniol","1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone","Avermectin A1b aglycone","Trospium","Megestrol acetate","Pirbuterol","L-Threonine","Nelfinavir","2-Aminophenol","Cyclopamine","trans-2-Hydroxycinnamate","Andrographolide","4a-Methylzymosterol","8-Ethyl-12-methyl-3-vinylbacteriochlorophyllide d","L-Leucine","Pyridoxal","Trigonelline","Falcarindiol","Medicocarpin","Acetohexamide","N-Acetyl-D-glucosamine","Catechol","1-palmitoylglycerophosphocholine","11,12-EET","Norsanguinarine","Salicin","Luteolin 7-glucoside","Guanethidine","7-Methylguanosine","Boscalid","10E,12Z-Octadecadienoic acid","Ubiquinone-1","13-L-Hydroperoxylinoleic acid","11-Aminoundecanoic acid","Loperamide","Sophoradiol","Calcitriol","Phospho-anandamide","Ethyl icosapentate","Fenfluramine","Pyrrole-2-carboxylic acid","Leflunomide","Alpha-Carotene","LysoPC(18_0)","Malvidin","Columbamine","Bioresmethrin","Quinaldic acid","Se-Methylselenocysteine","2-Keto-glutaramic acid","Olopatadine","Brevianamide B","Brevianamide F","Dihydrolipoate","xi-5-Dodecanolide","Tamoxifen","Phenylglyoxylyl-CoA","Cholestenone","Epiandrosterone","Dhurrin","Testosterone","Soyasapogenol A","Soyasapogenol B","Anethole","L-Valine","(S)-beta-Tyrosine","Lansoprazole","2-Dehydropantoate","Benzofenap","Phloroglucinol","Pronethalol","U50488","L-Kynurenine","Ropivacaine","Creatine","Trimeprazine","Isoandrocymbine","2-Methylserine","Diisodecyl phthalate","Oxamniquine","Risperidone","N6-Methyl-2'-deoxyadenosine","N-Acetylthienamycin","Xanthoxin","3a,7a-Dihydroxy-5b-cholestane","Trimipramine","Dihydro-O-methylsterigmatocystin","N-Acetyl-5-aminosalicylic acid","Parathion-methyl","6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone","Gentamicin C1a","Acetylvalerenolic acid","N-Methyl-(R,S)-tetrahydrobenzylisoquinoline","Brassinolide","5beta-Cholestanone","5,10-Methylene-THF","Desmosterol","21-Deoxycortisol","Chloroquine","Euphol","3-Hydroxypicolinic acid","Pimozide","N-Acetylmuramoyl-Ala","Alpha-Lactose","Bepridil","Harmaline","4-Hydroxytamoxifen","Xanthopterin-B2","Procarbazine hydrochloride","Zerumbone","4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol","Malonoben","Diphenhydramine","5-KETE","dAMP","Mesaconate","(9R,10R)-Dihydroxyoctadecanoic acid","L-3-Hydroxykynurenine","Sulconazole","1-Oleoyl Lysophosphatidic Acid (sodium salt)","Amobarbital","Plastoquinol-9","Rifaximin","Tripelennamine","Beta-Leucine","L-Histidine trimethylbetaine","5-Hydroxyconiferyl alcohol","N-Acetyl-L-phenylalanine","CE(5_0)","Sumatriptan","5-Amino-6-(5'-phosphoribitylamino)uracil","Dihydroxyacetone phosphate","Telaprevir","D-Maltose","O-Methylsterigmatocystin","7-Methyladenine","delta-Tocotrienol","3-Methylthiopropanamine","Normeperidine","Saccharopine","4-Hydroxycinnamic acid","2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid","Tyramine","Berberine","20-HETE","[6]-Shogaol","Granisetron","12-Hydroxydodecanoic acid","p-Hydroxyphenylacetic acid","N-Acetyl-DL-methionine","(S)-Methylmalonic acid semialdehyde","Deoxyadenosine","Oseltamivir","Decanoyl-L-carnitine","4-Imidazolone-5-propionic acid","Quercetin","5a-Cholest-8-en-3b-ol","Toremifene","N4-Acetylcytidine","7(1)-Hydroxychlorophyllide a","Cysteinylglycine","Napropamide","Edrophonium","Medrysone","5'-Phosphoribosyl-N-formylglycinamide","(2'E,4'Z,8E)-Colneleic acid","2-Methylbutyryl-CoA","Skatole","Stigmastanol","Demethyldecarbamoylnovobiocin","Heme","Cinobufotalin","4-Chlorobenzoyl-CoA","Diethylcarbamazine","Hydroxyphenyllactic acid","Salicylic acid","Levulinic acid","Bufotenine","Magnolol","Glycyrrhetinate","4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol","N-(L-Arginino)succinate","dTDP-D-desosamine","beta-N-Acetylglucosamine","Choline","Methoxyeugenol","Lafutidine","Blasticidin S","Capsidiol","Delphinidin 3-rutinoside","Monocrotaline","Nicotinic acid","Acetylcysteine","Aurin","2-Caffeoylisocitrate","Homatropine","L-Isoleucine","(1'S,5'R)-5'-Hydroxyaverantin","Gentian Violet","Sesamin","alpha-Cedrene","all-trans-Retinoic acid","Nandrolone","Asymmetric dimethylarginine","Phenylpropionylglycine","(6Z)-Octadecenoic acid","Betulin","Menadione","Galactaric acid","(2S)-Flavanone","Dihydronepetalactone","Alpha-D-Glucose","Methyl (indol-3-yl)acetate","Exemestane","beta-Phenylalanoyl-CoA","Confertifolin","3-Dehydroteasterone","Anhydrotetracycline","N-trans-Feruloyloctopamine","Palmitoyl-L-carnitine","Zingiberene","trans-Cinnamate","Protoporphyrin IX","Dihydrocholesterol","(2R,3R)-3-Methylornithinyl-N6-lysine","L-Targinine","Menthyl pyrrolidone carboxylate","4-Phenylpyridine","Leucine","Formyl-CoA","12-Keto-leukotriene B4","Dihydrothymine","Bitertanol","Mifepristone","Epsilon-caprolactam","Curcumin","p-Aminobenzoic acid","5alpha-Ergosta-7,22-diene-3beta,5-diol","Baicalin","Fenoprofen","Cimetidine","Aminopentol","3,4,5-Trimethoxycinnamic acid","Irinotecan","Paclobutrazol","Indole-3-carboxylic acid","(R)-ar-Turmerone","1-Hydroxypyrene","Alfentanil","Estrone","Levorphanol","Norbuprenorphine","5-Methoxytryptophol","Propiomazine","D-Glucuronic Acid","1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine","Phosphoglycolic acid","Indican","D-allo-Isoleucine","all-trans-5,6-Epoxyretinoic acid","Bufadienolide","delta-Valerolactam","Aspartame","beta-Lactose","Aminoglutethimide","N1,N12-Diacetylspermine","4-Guanidinobutanoate","Thiolutin","N-Acetylvaline","Thiamine(1+) Diphosphate(1-)","2-Methylbenzoic acid","2-Methyl-3-hydroxybutyryl-CoA","Fluopicolide","Dihydromyricetin","Oxoglutaric acid","Biotin","GMP","Phytyl diphosphate","Arecoline","Delphin","L-Proline","Hydromorphone","Sorbitan stearate","Amlodipine","Malyl-CoA","Prostaglandin-c2","Leucinic acid","Methylphenidate","Myclobutanil","N-Arachidonyl dopamine","Carbofuran","5-Nitro-2-(3-phenylpropylamino)benzoic acid","Hydroxykynurenine","Aucubin","Kanamycin B","Cinnamic acid","alpha-Tocopherol","N-Demethylansamitocin P-3","1,2,3-Trihydroxybenzene","Butyrylcarnitine","Cerivastatin","Diethofencarb","L-Asparagine","Tetrahydrodipicolinate","Cannabinol","N(alpha)-gamma-L-Glutamylhistamine","Oleic acid","Oxyphenbutazone","Estriol","Dicyclomine","allopurinol","N-Acetyl-L-glutamate 5-semialdehyde","Isoalantolactone","Etiocholanolone","Peganine","Moupinamide","Anastrozole","Glycitein","2-Amino-2-deoxyisochorismate","Linatine","Imidacloprid","Ciprofloxacin","TG(16_0_16_0_16_0)","Ribothymidine","Trimethoprim","3,4-Dimethoxybenzaldehyde","(S)-Norcoclaurine","Chlorpromazine","Ketoprofen","3-Sulfinylpyruvic acid","D-Pinitol","Ketotifen","3-Methylxanthine","25-Hydroxycholesterol","5-Amino-6-(5'-phosphoribosylamino)uracil","Hexadecanedioic acid","3-Carbamoyl-2-phenylpropionaldehyde","6-Hydroxyhexan-6-olide","Apiole","L-Fucose","Midodrine","5,6-EET","Amifostine","TG(10_0_10_0_10_0)","trans-trans-Muconic acid","Nicotinurate","Fenvalerate","Cis-zeatin","N-Nitrosodi-n-butylamine","Isopropylmaleate","Fenuron","(+)-Tetrandrine","Profenofos","Pindolol","Streptozocin","Jamaicamide B","Methylprednisolone acetate","Angiotensin IV","gamma-L-Glutamyl-D-alanine","Isoeugenol","3-Hydroxymethylglutaric acid","Stigmasterol","Bupivacaine","Lauroyl diethanolamide","Palmatine","Cyanidin 3-glucoside","9-cis-Retinol","Obacunone","Cerulenin","Malonyl-CoA","Isoniazid","Fasciculic acid B","14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione","Galactitol","L-Glutamic gamma-semialdehyde","Dodecanoylcarnitine","Acetylphosphate","5-Acetamidovalerate","(-)-Stercobilin","Cycloheximide","(-)-Quebrachamine","Nornicotine","3-Methyl-L-tyrosine","Argininosuccinic acid","Midazolam","3-Methoxy-4',5-dihydroxy-trans-stilbene","Phenylpyruvic acid","GTP","Trihexyphenidyl","Hesperetin 7-O-glucoside","Sitagliptin","Guanabenz","(R)-Amphetamine","Mitomycin B","Ophthalmate","Cortexolone","Triethylamine","Dimethyl trisulfide","Stipitatate","8-Methoxykynurenate","Spectinomycin","Norfloxacin","Ammeline","Urocanic acid","11-Dehydro-thromboxane B2","Isoprothiolane","Thiotepa","Entacapone","4-Acetylbutyrate","Curcumenol","Paspalicine","Nefazodone","Pyridoxal 5'-phosphate","8(R)-HETE","(S)-Tetrahydroprotoberberine","Coleonol","Metolachlor","Octadecanamide","8,11,14-Eicosatrienoic acid","m-Cresol","Cefprozil","Prosulfocarb","D-Pantethine","Alachlor","Myricetin 3-galactoside","Methyl hexadecanoic acid","Pimelic acid","5-Methoxydimethyltryptamine","Oxethazaine","Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside","5-Aminopentanoic acid","12-KETE","Indoleglycerol phosphate","Aesculin","2'-Deoxymugineic acid","Bis(2-ethylhexyl)phthalate","1,2-Dehydroreticuline","4-Hydroxystyrene","Zedoarondiol","Etiocholanedione","Galantamine","Acepromazine","4-Acetyl-6-tert-butyl-1,1-dimethylindane","Capsaicin","24-Methylenecycloartanol","4-Octylphenol","Magnesium protoporphyrin","Amiloride","Myristicin","Aminopterin","Episterol","(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid","Phenacetin","Clionasterol","Xanthylic acid","Lotaustralin","Dexbrompheniramine","Pelargonidin","1,3-Dihydro-(2H)-indol-2-one","Monomethyl sulfate","Oxymetazoline","1-Deoxy-D-xylulose","L-Methionine S-oxide","Cytidine","(+_-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone","Lyciumin A","N2-Malonyl-D-tryptophan","N-Acetyl-L-aspartic acid","gamma-Glutamylalanine","L-Glutamic acid 5-phosphate","Lupanine","4-Oxoglutaramate","3-Dehydro-2-deoxyecdysone","Thalsimine","Chlorfluazuron","9,10-Epoxyoctadecenoic acid","Androstanedione","Beta-Carboline","Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside","Canavanine","MMV689758","Ketorolac","Methoprene","(2E,6E)-Farnesol","Aliskiren","Misoprostol","11alpha,17beta-Dihydroxyandrost-4-en-3-one","11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one","Norethindrone","10-Hydroxydecanoic acid","Pseudoephedrine","Endomorphin-1","R-Salbutamol","6-Hexyltetrahydro-2H-pyran-2-one","Strychnine","2-Hydroxyestrone","2'-Dehydrokanamycin A","Delta-Tocopherol","Phendimetrazine","Docosatetraenoyl Ethanolamide","Nootkatone","6''-Malonylgenistin","Pymetrozine","25-Hydroxyvitamin D2","N-Carbamoylputrescine","Pentylenetetrazole","Codeinone","Vinorelbine","Difenacoum","Allantoin","Angiotensin III","Rilpivirine","Ephedrine","Dapsone","Formylanthranilic acid","Ethyl sorbate","Riluzole","4-Chloroaniline","DIMBOA-glucoside","9(S)-HPODE","Enalapril","3-Dehydroecdysone","D-Ribose 5-phosphate","p-Synephrine","Sparfloxacin","Ajmaline","Xylometazoline","4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one","gamma-Glutamyl-beta-aminopropiononitrile","(S)-Carnitine","Tranylcypromine","3''-Deamino-3''-oxonicotianamine","Sinapine","Dapdiamide C","Styrene Oxide","T2 Triol","Nalbuphine","Minovincinine","Styrene","Neopine","DIHYDROJASMONIC ACID, METHYL ESTER","Cortisol 21-acetate","Antibiotic JI-20B","Rosmarinic acid","Antibiotic JI-20A","Carbadox","4-Hydroxyproline","(S)-2-amino-6-oxohexanoate","2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA","Osajin","Phenelzine","(S)-Autumnaline","Imidazole-4-acetate","Deferoxamine","Guanosine 2',3'-cyclic phosphate","Daunorubicin","Lariciresinol","Vigabatrin","1,2-Didecanoylglycerol","6-Paradol","Quinolin-2-ol","Taraxerol","S-Formylglutathione","Serotonin","Primidone","(S)-1-Phenylethanol","Dimethirimol","Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside","1-Benzyl-1,2,3,4-tetrahydroisoquinoline","5-Dehydroepisterol","10-Formyltetrahydrofolate","Leucylproline","5a-Pregnane-3,20-dione","Nalpha-Acetyl-L-glutamine","cis-4-Hydroxy-L-proline","5,6-Dihydro-5-fluorouracil","ortho-Anisidine","Indolelactic acid","Yamogenin","N-Acetylserotonin","(S)-2-Phenyloxirane","Harmine","11Z-Eicosenoic acid","o-Xylene","2,3-Diaminopropionic acid","Oleoylcarnitine","Fenpropimorph","Terbuthylazine","7-Isopropyl-1,4-dimethylazulene","3-tert-Butyl-5-methylcatechol","Ethylmethylacetic acid","Benzoylsuccinyl-CoA","psi-Pelletierine","Fisetin","Chlorophyllide b","Levamisole","Himbacine","2-Acetamidofluorene","2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one","17a-Estradiol","Myristic acid","2-Phenylethanol","Hypoxanthine","Caffeoyl-CoA","Indomethacin","Phenyllactic acid","Pelletierine","Antimycin A1","Nevirapine","Acetazolamide","N6-Acetyl-LL-2,6-diaminoheptanedioate","Hypaconitine","5-Methylbarbiturate","epsilon-(gamma-L-Glutamyl)-L-lysine","(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate","p-Cymene","Chlorthalidone","Lenacil","Ribostamycin","Flumequine","Tris(2-chloroethyl)phosphate","N5-(L-1-Carboxyethyl)-L-ornithine","2-Hydroxybutyric acid","(S)-N-Methylcoclaurine","Mometasone furoate","2,4-Diamino-6-hydroxypyrimidine","Diethylphosphoric acid","Adenine","Diploptene","Homocitrulline","Enoxacin","N2'-Acetylgentamicin C1a","7-Aminomethyl-7-carbaguanine","Gamma-Tocotrienol","Cortisone","(+)-Bebeerine","2-trans,6-trans-Farnesal","Purine","S-Methyl-L-methionine","Curlone","Aminohydroquinone","Levonordefrin","Beta-Guanidinopropionic acid","Finasteride","(3S)-3,6-Diaminohexanoate","Imidazol-5-yl-pyruvate","Promethazine","4,4?-Dichlorobenzophenone","Cortolone","Zygadenine","Arachidonic acid","Carnosol","Pregnenolone","Ellagic acid","O-Demethyl-N-demethyl-staurosporine","7,8-Dihydropteroic acid","Coniferyl aldehyde","Isovaleryl-CoA","N-Oleoyl phenylalanine","2-Heptanone","1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate","(S)-3-Hydroxy-N-methylcoclaurine","Allocholic acid","Stellettamide A","4-Hydroxybenzoic acid","Queuine","Lanosterin","6-Aminopenicillanic acid","Cucurbitacin F","Cucurbitacin E","Dichlormid","Aconitine","N-Methyltyramine","L-Methionine","Adefovir","5-Hydroxypyrazinamide","Kahweol","Phytoene","Methyldopa","Metronidazole","Theophylline","Maslinic acid","Bovinic acid","Nalidixic Acid","Vomitoxin","Gambogic acid","6-Hydroxymelatonin","Salidroside","Dodemorph","17a-Hydroxypregnenolone","Neocnidilide","Picolinic acid","Vulgaxanthin II","Tridemorph","Thyroxine","N7-Methylguanosine","N-Acetyl-leukotriene E4","Ecdysone","Pyridoxamine","Perphenazine","TIAPRIDE","8,9-DiHETrE","Ergosterol","Biochanin A","Rilmenidine","6alpha-Fluoropregn-4-ene-3,20-dione","Aurachin B","3-O-alpha-Mycarosylerythronolide B","Androsterone","S-Adenosylmethionine","Deoxyguanosine","Gentamicin X2","16a-Hydroxydehydroisoandrosterone","Campestanol","Lipoamide","2-Hydroxy-6-pentadecylbenzoic acid","L-4-Hydroxyphenylglycine","Fluorene","DAMGO","Demethylphylloquinone","Kyotorphin","24-Hydroxy-beta-amyrin","Dibutyl phthalate","Tranexamic Acid","4-(2-Aminophenyl)-2,4-dioxobutanoic acid","Ursodeoxycholic acid","S-Allylcysteine","Terbutaline","Diosmetin","GF 109203X","Pentyl octanoate","Baclofen","Onopordopicrin","(24R,24(1)R)-Fucosterol epoxide","Tetrangomycin","Secologanin","18-Hydroxycorticosterone","Pyrimethamine","Farnesoic acid","Omethoate","Methyl jasmonate","2,4-Dinitrotoluene","11(R)-HETE","Iminoarginine","Fenthion","3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al","Nonadecanoic acid","Dyclonine","N-Alpha-acetyllysine","Herniarin","2-Methylthiobenzothiazole","Normetanephrine","Ribavirin","PQQH2","Miltirone","2-Aminobenzoic acid","L-2-Hydroxyglutaric acid","11b-Hydroxyandrost-4-ene-3,17-dione","(R)-Salsolinol","Prostaglandin F2a","2,22-Dideoxy-3-dehydroecdysone","Mefloquine","(-)-alpha-Curcumene","3,4-Dihydroxyphenylglycol","erythro-3-Hydroxy-Ls-aspartate","3'-AMP","Terfenadine","13(Z)-Docosenoic Acid","Lupeol","Deoxycholic acid","N1-Acetylspermine","DL-O-Phosphoserine","Chlorpheniramine","Carbamoyl phosphate","14,15-DiHETrE","Lubiprostone","Tobramycin","Prostaglandin F1a","S-Adenosylmethioninamine","9,10-DHOME","Salmeterol","Phenylacetylglutamine","4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid","(E)-4-Octenoic acid","11-O-Demethyl-17-O-deacetylvindoline","Mesoridazine","N-a-Acetylcitrulline","Lunarine","gamma-Glutamyl-beta-cyanoalanine","L-Histidine","Cholest-4-en-3-one","Aflatoxin G","Lutein","1,5-Naphthalenediamine","Hemin","Carboprost","Dihydroergotamine","Fluroxypyr","3beta,5beta-Ketotriol","Deoxy-5-methylcytidylate","Neocembrene","8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C","Marindinin","Estradiol","10,11-Dihydroxycarbamazepine","Licoricesaponin G2","Jasmone","Isobornyl propionate","N6-(L-1,3-Dicarboxypropyl)-L-lysine","5-Hydroxymethyl-2-furaldehyde","Chloroxine","Taurohyocholate","Lacto-N-biose I","Abscisic alcohol","15-Acetyl-4-deoxynivalenol","Epsilon-(gamma-Glutamyl)-lysine","Boldione","Pregnanediol","Glutathione","12,13-DHOME","Streptomycin","3,4-Dihydroxymandelaldehyde","Capsanthin","5-Hydroxylysine","Maltopentaose","6-Methylmercaptopurine","N2-Succinyl-L-glutamic acid 5-semialdehyde","Sulfisoxazole","Cannabielsoin","13-Deoxycarminomycin","FMNH2","Allopregnanolone","Limonene-1,2-diol","Mepivacaine","7,8-Diaminononanoate","4'-O-Methylxanthohumol","Oleamide","3-(2-Hydroxyphenyl)propanoic acid","Gravelliferone","Methylergonovine","Heliotrine","Lidocaine","2-Oxo-4-methylthiobutanoic acid","Glycerol 3-phosphate","4'-O-Methylnorbelladine","Pristanic acid","Erucic acid","7-Ketocholesterol","Benzocaine","Indoleacetaldehyde","Deoxyuridine-5'-triphosphate","Echitamine","8-Amino-7-oxononanoate","Canthaxanthin","2-Biphenylol","3-Furoic acid","Mupirocin","11-cis-Dehydroretinal","7a,12a-Dihydroxy-5b-cholestan-3-one","Isorhamnetin","3,5-Dihydroxyphenylglyoxylate","Ornithine","Androstenedione","Retinal","(9Z,11E,13E)-Octadecatrienoic acid","N-Acetylaspartylglutamic acid","Dihydrophaseic acid","Tetrodotoxin","Protochlorophyllide","Nebramine","4-Methylbenzaldehyde","dTDP","Dihydrotestosterone","6'-Oxo-G418","LY 294002","Melphalan","(5-L-Glutamyl)-L-glutamate","Cyclopentolate","Piperonal","Nitrendipine","2-Hydroxyestradiol","[6]-Dehydrogingerdione","Mexiletine","3-Dehydroshikimate","Cyclopiazonic acid","2-Hydroxycinnamic acid","Butabarbital","Neolinustatin","Avenasterol","threo-3-Hydroxy-D-aspartate","Methyleugenol","Homo-L-arginine","Isopentenyl adenosine","Acephate","5a-Tetrahydrocortisol","(S,E)-Zearalenone","9-Riburonosyladenine","Stearidonic acid","Aldohexose 6-phosphate","Sisomicin","Bis-gamma-glutamylcystine","10-Deoxymethynolide","Fenfuram","N-Acetyl-O-demethylpuromycin","1-Hydroxymethylnaphthalene","Ecgonine","Proguanil","(-)-Jasmonic acid","3-Dehydrosphinganine","Chlorhexidine","Tetrahydrocortisone","Lividamine","Pyrethrosin","Valeric acid","Precorrin 1","Precorrin 2","2-Isopropyl-3-oxosuccinate","L-Cystathionine","Acetaminophen","5-Dehydroavenasterol","Flucytosine","AICAR","Salutaridinol","Clotrimazole","Procainamide","N-Demethylindolmycin","Meperidine","Guanine","(S)-4-Hydroxymandelate","Tropate","Dehydrocostus lactone","Epinastine","D-Galactose","Eriodictyol","Selegiline","24-Methylenecholesterol","Dihydrooroxylin","Lupenone","Protoporphyrinogen IX","Didecyldimethylammonium chloride","dGMP","Isoxaben","Adipoyl-CoA","OPC4-CoA","Myriocin","Thiamine aldehyde","Glycylleucine","Retinol","6-Pentyl-2H-pyran-2-one","D-synephrine","L-Arogenate","Rimantadine","22alpha-Hydroxy-campest-4-en-3-one","Deacetylipecoside","Verapamil","Docosanamide","Atrazine","Procarbazine","Quinestrol","3-Oxovalproic acid","Zolmitriptan","7a-Hydroxycholesterol","Tylactone","2-Deoxystreptamine","Pravastatin","Glycocholic acid","Eicosapentaenoic Acid","Lithocholyltaurine","N6-(Delta2-Isopentenyl)-adenine","Bosentan","Hygromycin B","Ibuprofen","7-Dehydrocholesterol","Verimol A","Warfarin","beta-Alanyl-L-arginine","Squalene","Isoflavone 7-O-beta-D-glucoside","Epipregnanolone","3-Methoxymorphinan","Terbinafine","Salicylhydroxamic acid","Anandamide","3-Methoxy-4-hydroxyphenylglycolaldehyde","Dolichotheline","(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine","2',5,6-Trimethoxyflavone","Gamabufogenin","L-Glutamate","Ecgonine methyl ester","3beta,5beta-Ketodiol","Asiatic acid","Leucodopachrome","2,4-Dihydroxypteridine","Sodium deoxycholate","Cilazapril","Honokiol","N-Nitrosodiphenylamine","androst-5-ene-3,17-dione","Tiagabine","2-Amino-2-deoxy-D-gluconate","5,6,7,8-Tetrahydromethanopterin","Menthol","Ethoprophos","(S)-Abscisic acid","3,5-Diiodothyronine","3-Ketosphingosine","Dobutamine","Biocytin","1-Methyluric acid","Qing Hau Sau","LID_207.1492_9.6","Piperocaine","2,4,6_3,5-Pentahydroxycyclohexanone","Fosinopril","Pyrimidodiazepine","Sorbitol","beta-Alanyl-L-lysine","1-Methylhistamine","Coenzyme Q2","alpha-Elemolic acid","Monomethyl glutaric acid","Coenzyme Q9","O-Phosphoethanolamine","Naltrexone","N(beta)-Epoxysuccinamoyl-DAP-Val","Geranylacetone","Lithocholic acid","(R)-2-O-Sulfolactate","Loratadine","Alpha-dimorphecolic acid","Procymidone","2,6-Dimethyl-naphtalene","D-Alanyl-D-alanine","Agmatine","Myristoleic acid","alpha-Amyrone","beta-Carotene","(10S)-Juvenile hormone III diol","16-Methoxytabersonine","20a,22b-Dihydroxycholesterol","Retinoyl b-glucuronide","Prednisone","Leukotriene E4","(-)-Maackiain","3,3',5'-Triiodo-L-thyronine","Prometon","Monoethylglycinexylidide","dTDP-L-megosamine","threo-3-Hydroxy-L-aspartate","4-(Dimethylamino)azobenzene","Rhodomycin D","Glycyrrhetaldehyde","dTMP","Topiramate","Conessine","Undecanoic acid","Geranylgeraniol","Tetrahydropalmatine","Leukotriene D4","L-Palmitoylcarnitine","5-Oxoavermectin ''2a'' aglycone","Demethylated antipyrine","Aconifine","Zoxamide","2-Deoxyecdysone","L-Tryptophan","D-Phenyllactic acid","4-Isopropylbenzaldehyde","N-Acetyl-a-neuraminic acid","Cyclizine","Dimethoate","Methoxamine","24-Hydroxycholesterol","Withaferin A","6-Pentadecylsalicylic acid","Oxoamide","Gulonic acid","4-Guanidinobutanoic acid","dCMP","Cholesterol","Isopyridoxal","Furazolidone","Psoralidin","1H-Indole-3-acetamide","Parthenolide","Domoic acid","Uracil","Quinapril","Tryptamine","Carnosic acid","Oxalosuccinic acid","9-cis-Retinal","Sphingosine 1-phosphate","16-Hydroxy hexadecanoic acid","Isoniazid alpha-ketoglutaric acid","Paromomycin II","3'-Demethylstaurosporine","Cytosine","Retapamulin","cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine","L-Cystine","Caryophyllene alpha-oxide","N6-Methyladenosine","Dipyridamole","Guanidinosuccinic acid","Bisoprolol","Simazine","L-3-Aminobutyryl-CoA","Carvedilol","Paraxanthine","6'-Dehydro-6'-oxoparomamine","Nicotine","Selenomethionine","1,4-Dimethyl-7-ethylazulene","Ethirimol","6-O-Methylnorlaudanosoline","Enterolactone","Lomefloxacin","Cysteic acid","Rescinnamine","3-Aminoisobutanoic acid","Indole-3-acetate","1,1-Dimethylbiguanide","Homovanillic acid","4,4'-Methylene-bis-(2-chloroaniline)","Disopyramide","Quinolinic acid","Diacetoxyscirpenol","Indinavir","2-Methyl-3-hydroxybutyric acid","Benfuracarb","Cilastatin","(E)-Monocrotophos","Acetyl-CoA","2-Hydroxyphenethylamine","Allocystathionine","Tiamulin","Cinchonidine","Cyromazine","Norepinephrine","1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol","MG(18_0_0_0_0_0)","4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one","Phenylacetic acid","5-Aminoimidazole-4-carboxamide","Deethylatrazine","Glycyl-glycine","(1H-Indol-3-yl)-N-methylmethanamine","Palmitic acid","Estragole","Chitobiose","4a-Carbinolamine tetrahydrobiopterin","Phosphonoacetate","Cefadroxil","Phylloquinol","Oxymorphone","D-Glycero-D-galacto-heptitol","L-Ribulose","Resolvin D2","Mitomycin","Metyrapone","1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione","Rutamarin","Trinexapac-ethyl","N-Formyl-L-methionine","5,6-DHET","Pergolide","Dihydrojasmone","dCTP","(R)-5,6-Dihydrothymine","N-Acetyldemethylphosphinothricin","Dihydroxyfumaric acid","13(S)-HOT","Hesperidin","Glycerophosphocholine","N-Glycolylneuraminic acid","Ergothioneine","1-Aminocyclopropanecarboxylic acid","Amikacin","2,3-Dinor-8-iso prostaglandin F1alpha","Tripropylamine","Trilostane","Norcraugsodine","Peonidin-3-glucoside","Propazine","Cybutryne","Phencyclidine","3-Amino-4-hydroxybenzoate","Aclacinomycin T","N-Acetylhistidine","2-Methylguanosine","4-Hydroxyphenylacetylglutamic acid","Orciprenaline","epsilon-Caprolactam","2-Keto-6-aminocaproate","(S)-Reticuline","N-Acetylputrescine","Pinoquercetin","O-Acetylcarnitine","Tryptophan","epsilon-Rhodomycin T","Mannitol 1-phosphate","Ergosta-5,7,22,24(28)-tetraen-3beta-ol","Xanthine","Tocainide","L-Glutamine","Khellin","Methaqualone","N-Acetylmuramate","5-Hydroxymethyluracil","Aldosterone","8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C","5alpha-Dihydrodeoxycorticosterone","Gluconic acid","L-Arabinonate","Dulcin","3-Methylcrotonyl-CoA","Phosalone","1-Pyrroline-2-carboxylic acid","10-Hydroxycarbazepine","Phosphorylcholine","Chlormadinone acetate","Phenobarbital","Calenduloside E","Irbesartan","16a-Hydroxyandrost-4-ene-3,17-dione","Procaine","Sedoheptulose","Sarsasapogenin","8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C","3,3',4'5-Tetrahydroxystilbene","17alpha,21-Dihydroxypregnenolone","Sulfadiazine","2-Deoxycastasterone","3,4-Dihydroxyphenylpropanoate","Isolithocholic acid","Nalorphine","Thromboxane B2","N2-Succinyl-L-arginine","4-Hydroxyphenylpyruvic acid","Citalopram","Cephalexin","Camalexin","Fluazifop","Perillic acid","5alpha-Pregnane-3alpha,20alpha-diol","Canthin-6-one","Di(2-ethylhexyl) adipate","17a,20a-Dihydroxycholesterol","N-Acetyl-b-glucosaminylamine","Berberine chloride","Geranyl diphosphate","5-Hydroxy-L-tryptophan","Methohexital","Oxyphencyclimine","Mechlorethamine","Deoxyribose","Riboflavin","3,3-Dimethylglutaric acid","Arabidiol","LysoPE(15_0_0_0)","Juvenile hormone III","Quinoline","Heptanoic acid","L-2-Amino-6-oxoheptanedioate","Triflumuron","6-Hydroxyhexanoic acid","3-Geranylgeranylindole","L-Homophenylalanine","Bz-Arg-OEt","(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","Quadrone","(S)-2,3-Epoxysqualene","Guvacoline","Octadecanedioic acid","Bialaphos","N1-Acetylspermidine","Ursolic acid","3-Hydroxyanthranilic acid","Alpha-Linolenoyl ethanolamide","5-Hydroxyindoleacetic acid","Triacetate lactone","1-Hexadecanol","1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol","Valaciclovir","cis-4-Hydroxy-D-proline","Liquiritin apioside","2-Methoxyestrone","Glutaric acid","Stearoylethanolamide","2'-O-Methyladenosine","L-Olivosyl-oleandolide","Propafenone","(2S)-Liquiritigenin","4-Quinolinecarboxylic acid","Geraniol","N-Acetylglutamic acid","Fluoxetine","Miglitol","Pentazocine","L-Formylkynurenine","Isoetharine","Dihydrocapsaicin","Caryophyllene epoxide","Penbutolol","Betulinic acid","S-Hexyl-glutathione","Cyanazine","4-Pyridoxic acid","16b-Hydroxyestrone","Vitamin D3","Praziquantel","5-Hydroxyindoleacetylglycine","(3S,5S)-3,5-Diaminohexanoate","Moxifloxacin","7-Mercaptoheptanoylthreonine","beta-D-Glucosamine","Delta-12-Prostaglandin J2","Cytochalasin B","MG(0_0_18_1(9Z)_0_0)","1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one","2,4-Diaminoanisole","Trans-2,3-dehydrododecanoyl-CoA","(S)-1-Pyrroline-5-carboxylate","Pyridoxamine 5'-phosphate","Methylisoeugenol","Ferreirin","N,N-Dimethylsphingosine","Cyclic AMP","2-Aminoisobutyric acid","FMLP","6'-Oxolividamine","Homocitric acid","Hecogenin","m-Xylene","(R) 2,3-Dihydroxy-3-methylvalerate","Aprindine","S-(Formylmethyl)glutathione","Fumonisin B3","6-Tuliposide B","1-Methylguanine","N-Butyrylglycine","Cyproconazole","Avermectin B1b aglycone","Dutasteride","Imazamox","9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid","Semustine","Cinoxacin","Nilotinib","4-Hydroxyphenylacetaldehyde","Mesna","All-trans-13,14-dihydroretinol","Equol","Benzoyl phosphate","3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate","1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol","3-Indoleacetonitrile","6-Keto-prostaglandin F1a","Testosterone cypionate","Emetine","N,N'-Diacetylhydrazine","Thiamine","Itraconazole","N-Methyltryptamine","Glycoursodeoxycholic acid","Multinoside A","Propoxur","S-Ribosyl-L-homocysteine","3-Hydroxybutyryl-CoA","Saxitoxin","Iopromide","L-Tyrosine","L-Dopa","Baicalein","Aflatoxin B1","(-)-Menthone","GW 7647","Ginsenoside Rd","Felbamate","Sucrose","8,9-EET","HC-toxin","Antibiotic G-418","DL-Hexanoylcarnitine","Metoclopramide","ent-8alpha-Hydroxylabd-13-en-15-yl diphosphate","Narcotine hemiacetal","Diphenoxylate","(24R)-24-Methylcycloarta-25-en-3-beta-ol","Spermidine","Ametryn","2-Naphthylamine","2-Hexaprenyl-6-methoxy-1,4-benzoquinone","2,5-Dioxopentanoate","Taurocholic acid","2-Isopropylmalic acid","4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone","N-Palmitoylsphingosine","LysoPE(16_1(9Z)_0_0)","Propionylcarnitine","4-Hydroxyestradiol","Testosterone isocaproate","Maprotiline","9,10-12,13-Diepoxyoctadecanoate","Perindopril","Sufentanil","Metanephrine","Indolebutyric acid","N(6)-Methyllysine","para-Phenylenediamine","(-)-erythro-Anethole glycol 2-glucoside","N-Desmethylcitalopram","Alpha-Tocotrienol","N-Oleoyl dopamine","N-Benzoylanthranilic acid","Astemizole","Ipriflavone","5'-Methylthioadenosine","Creatinine","Abrine","Pyridoxine","(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate","6-Phosphogluconic acid","Rifabutin","(-)-Epicatechin 3-O-gallate","trans-Ferulic acid","5-Hydroxypentanoic acid","N-Acetylleucine","dTDP-3,4-dioxo-2,6-dideoxy-D-glucose","Carisoprodol","4-Ethoxybenzaldehyde","Thiabendazole","FAPy-adenine","Triethyl phosphate","Cortisol","Pregabalin","Bilirubin","(-)-Matairesinol","1-Hydroxy-2-naphthoate","3a-Hydroxy-5b-pregnane-20-one","Jasmonic acid","Perillyl aldehyde","2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)","Norethindrone acetate","8-C-Glucosylnaringenin","Indacaterol","Hydroxyindole","4-Phenylbutyrate","Atenolol","6-Amino-6-deoxyfutalosine","O-Demethylpuromycin","Dehydrovomifoliol","beta-Cryptoxanthin","Mycophenolate","Acetaminophen glucuronide","Mesobilirubinogen","Pyridostigmine","L-Lysine","Letrozole","(S)-2-Methylmalate","Zymosterol intermediate 2","Pretilachlor","Vecuronium","1-Dehydro-[6]-gingerdione","Ethylmorphine","Sudan I","3-(4-Hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-one","4-Chloroprogesterone","N-(4-Coumaroyl)-L-homoserine lactone","Dimethylbenzimidazole","(9Z,12Z,15Z)-Octadecatrienoic acid","1-Methylhistidine","Eugenol","Dodecanoic acid","(plusmn)-Furaneol","alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine","Cetyltrimethylammonium bromide","Sphinganine","19(S)-HETE","Phosmet","Perakine","Chanoclavine-I","7,8-Dihydroneopterin","Metoprolol","4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine","Traumatic Acid","Oleoylethanolamide","alpha-Zearalanol","Tigogenin","6'-Oxogentamicin X2","19(R)-HETE","4,5-Dihydroorotic acid","Hydroxyzine","Etoxazole","Oxybutynin","Progesterone","Delta7-Avenasterol","(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester","(R)-Higenamine","Isonicotinic acid","D-Fructose","Genistin","N-Acetyl-alpha-D-glucosamine","alpha-D-Galacturonic acid","Delphinidin 3-glucoside","Thiamine pyrophosphate","Imipramine","D-Xylose","Coenzyme Q10","4'-Oxonebramine","1-(4-Hydroxyphenyl)-1-decene-3,5-dione","Kynurenic acid","Thiamine monophosphate","Lisinopril","Picrotin","(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid","Palmitoylethanolamide","Anabasine","Esmolol","Methionine","Barbituric acid","alpha-Ketoisovaleric acid","Muramic acid","Pentamidine","N(omega)-Nitro-L-arginine methyl ester","Porphobilinogen","Tyrosol","Dopaquinone","Linezolid","1-O-Octadecyl-sn-glycerol","Trimipramine maleate","L-Histidinol","Gabapentin","Mosapride citrate hydrate","Celastrol","Austalide D","Nevskin","12-OPDA","Carnosine","(R)-Methylmalonate semialdehyde","cis,cis-Muconate","Hyperforin","Neostigmine","Temefos","Xanthoxic acid","Tetrahydroharmine","3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiol","Dihydromethysticin","Tetracaine","Sotalol","Tentoxin","Niacinamide","Methyl beta-D-galactoside","Diaminopimelic acid","Kojic acid","Phenylacetylglycine","(S)-Coclaurine","Pentaporphyrin I","Crotamiton","Dimefuron","N-Acetylmannosamine","Racemethionine","ATP","8-Hydroxyquinoline","Nicotianamine","D-4'-Phosphopantothenate","Nonivamide","8-HETE","4-O-beta-D-Glucosyl-sinapate","10-Nitrolinoleic acid","Cannabidiolic acid","cis-9,10-Epoxystearic acid","Phytosphingosine","Tryprostatin A","D-2-Hydroxyglutaric acid","Formoterol","Etiocholanolone glucuronide","Propranolol","(