Metabolite identification was performed by matching the accurate mass (with a mass tolerance of 10 ppm) and MS/MS spectra against multiple databases, including the Kyoto Encyclopedia of Genes and Genomes (KEGG), the Human Metabolome Database (HMDB), and LIPID MAPS.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Chromatographic separation was performed using a Thermo Fisher Vanquish UHPLC system.
For the reversed-phase (C18) separation:
- Column: Thermo Fisher Hypersil Gold C18 (1.9 μm, 2.1 × 100 mm)
- Column temperature: 40 °C
- Flow rate: 0.2 mL/min
- Mobile phase A: 0.1% formic acid in water
- Mobile phase B: methanol
- Gradient: 0-1.5 min, 2% B; 1.5-3 min, 2-85% B; 3-10 min, 85-100% B; 10-10.1 min, 100-2% B; 10.1-12 min, 2% B.
For the HILIC separation (if applicable):
- Column: Waters ACQUITY UPLC BEH Amide (1.7 μm, 2.1 × 100 mm)
- Column temperature: 40 °C
- Flow rate: 0.2 mL/min
- Mobile phase A (positive mode): 0.1% formic acid, 10 mM ammonium acetate in 95% acetonitrile
- Mobile phase B (positive mode): 0.1% formic acid, 10 mM ammonium acetate in 50% acetonitrile
- Mobile phase A (negative mode): 10 mM ammonium acetate in 95% acetonitrile
- Mobile phase B (negative mode): 10 mM ammonium acetate in 50% acetonitrile
- Gradient: 0-1.5 min, 2% B; 1.5-7 min, 2-100% B; 7-9 min, 100% B; 9-9.1 min, 100-2% B; 9.1-12 min, 2% B.
"],"publication":["Untargeted Metabolomics Data of Rectal Contents from Diarrheic and Healthy Saanen Dairy Goats."],"submitter_affiliation":["Inner Mongolia University"],"submitter_name":["Yulong Zhao"],"organism_part":["fecal","feces"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["For metabolite extraction, 100 μL of each rectal content sample was mixed with 400 μL of 80% methanol aqueous solution, vortexed, and incubated on ice for 5 min. The mixture was then centrifuged at 15,000 g for 20 min at 4 °C. The supernatant was diluted with LC-MS grade water to a final methanol concentration of 53%, and centrifuged again at 15,000 g for 20 min at 4 °C. The resulting supernatant was collected for LC-MS analysis.
Quality control (QC) samples were prepared by pooling equal volumes from all experimental samples. Solvent blank samples (53% methanol in water) were processed in parallel with the experimental samples to assess background contamination.
"],"organism":["Capra hircus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14666"],"author":["Yulong Zhao. Inner Mongolia University. No. 24 Zhaojun Road, Yuquan District. 1369609005@qq.com."],"data_transformation_protocol":["Raw LC-MS data files were converted to mzXML format using ProteoWizard software. Peak picking, alignment, and integration were performed with the XCMS package. The first sample was used for retention time correction. Background ions were removed using solvent blank samples. Peak intensities were normalized using the formula: `Sample intensity / (Sample total intensity / First sample total intensity)` to obtain relative peak areas.
"],"study_factor":["Disease status"],"submitter_email":["1369609005@qq.com"],"sample_collection_protocol":["Rectal contents were collected from diarrheic with obvious wet tail symptoms and healthy Saanen dairy goats. All samples were immediately frozen in liquid nitrogen after collection and stored at -80 °C until further processing.
"],"omics_type":["Metabolomics"],"study_design":["Capra hircus","Metabolomics","22q11 Ireland","fecal","untargeted analysis","Diarrhea","experimental sample","Thermo Scientific Vanquish UHPLC System","Thermo Scientific Q Exactive HF-X","XCMS","PROTEO","Vanquish Oncology (United States)","feces"],"curator_keywords":["Capra hircus","Metabolomics","22q11 Ireland","fecal","untargeted analysis","Diarrhea","experimental sample","Thermo Scientific Vanquish UHPLC System","Thermo Scientific Q Exactive HF-X","XCMS","PROTEO","Vanquish Oncology (United States)","feces"],"mass_spectrometry_protocol":["Mass spectrometry analysis was performed using a Thermo Fisher Q Exactive HF / Q Exactive HF-X mass spectrometer equipped with an electrospray ionization (ESI) source. The instrument was operated in both positive and negative ion modes.
- Spray voltage: 3.5 kV
- Sheath gas flow rate: 35 psi
- Auxiliary gas flow rate: 10 L/min
- Capillary temperature: 320 °C
- Auxiliary gas heater temperature: 350 °C
- S-lens RF level: 60
- Full scan range: m/z 100–1500
- MS/MS acquisition: data-dependent scans (DDA)
"],"metabolite_name":["Corticosterone","Prostaglandin G2","N-(p-Coumaroyl) serotonin","Phenylacetylglutamine","DL-Panthenol","Monolaurin","Piceatannol","13(S)-HOTrE","N-Acetyl-L-histidine","U-47700-d6","3-(3-pyridinyl)propanoic acid","4-[2-(3-phenylpropanoyl)hydrazino]benzenesulfonamide","Stearoyl ethanolamide","WLH","Cytidine-5'-monophosphate","Dl-3,4-Dihydroxymandelic Acid","2,3-Dinor-11¦Â-prostaglandin F2¦Á","Lysopa 16:0","6¦Â-Prostaglandin I1","8-Aminooctanoic acid","Methyl nicotinate","WLK","Kinetin","¦Â-Estradiol-17¦Â-glucuronide","XLR11 N-(4-hydroxypentyl) metabolite-d5","4-(Diethylamino)benzaldehyde","1-(3,4-dimethoxyphenyl)ethan-1-one oxime","Methandrostenolone","L-Histidine","Deoxycholic Acid","Isobutyryl carnitine","Reserpine","2-Arachidonoyl glycerol","1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine","4-[4-(1-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyridine","L-Tyrosinemethylester","Prostaglandin H1","Prostaglandin H2","2,3-Dinor-TXB2","Citrulline","4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate","3-[(4-chlorophenyl)thio]-1-phenylprop-2-en-1-one","(¡À)8(9)-DiHET","Cannabigerolic acid","Capric acid","Alloxan","2-Ketoadipic acid","D-Glucuronic acid","N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide","Laudanosine","LPE 13:0","Methyl indole-3-acetate","2-Linoleoyl glycerol","6-Methoxy-2-naphthoic acid","8-iso-15-keto Prostaglandin E2","(+/-)-CP 47,497-C7-Hydroxy metabolite","(¡À)18-HEPE","Neopterin","N-Acetyl-D-tryptophan","3-(5,7-dimethoxy-4-oxo-4H-chromen-2-yl)propanoic acid","1-(4-methoxyphenyl)-4-phenyl-2(1H)-pyrimidinethione","4-Hydroxybenzaldehyde","Hexanoylcarnitine","N1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylpropanamide","HPK","(¡À)11-HETE","Dl-Indole-3-lactic acid","7-(2-aminophenyl)heptanoic acid","Prostaglandin E2","4-(cyclohexylcarbonyl)-1-phenethylpiperazine-2,6-dione","Prostaglandin E1","Pilocarpine","N6-Me-dA","20-Carboxy-Leukotriene B4","N6-Acetyl-L-lysine","Mevalonic acid","2'-O-Methylguanosine","7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one","Pyridoxamine 5-phosphate","3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione","2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid","Boldione","N-Carbamyl-L-glutamicacid","FMH","Methyltestosterone","6-Methylquinoline","5-[(2-hydroxybenzylidene)amino]-2-(2-methoxyethoxy)benzoic acid","all-cis-4,7,10,13,16-Docosapentaenoic acid","Tetrahydrocorticosterone","D-(+)-Maltose","(+/-)12(13)-DiHOME","5-Hydroxylysine","3-(4-benzyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-2-one","ACar 15:0","N,5-Bis(3-nitrophenyl)oxazol-2-amine","1-(4-hydroxyphenyl)propane-1,2-diol","Loxoprofen","3-Methoxy-4-hydroxyphenylacetate","Temazepam","Isophorone","4-Methyl-5-thiazoleethanol","1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide","N6-Methyladenine","Oleamide","2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid","tetranor-PGFM","Isotretinoin","N-Acetylneuraminic acid","Pantothenic acid","10-Undecenoic acid","Mesalamine","FNK","5-(tert-butyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide","Diethyloxalpropionate","4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate","1,3-dipyridin-3-ylpropane-1,3-dione","3-hydroxy-2-octylpentanedioic acid","7-Ketocholesterol","Xanthurenic acid","L-Ornithine","12(S)-HETE","D-Glucosamine 6-phosphate","5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid","Saccharin","4-(4-methylphenyl)-2-phenyl-1,3-thiazole","5,6-Dihydroxyindole-2-Carboxylic Acid","Spiculisporic Acid","5-chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione","N-Formylkynurenine","2-[1-(5-chlorobenzo[b]furan-2-yl)ethylidene]hydrazine-1-carbothioamide","2-Hydroxy-2-methylbutanedioic acid","19-Nortestosterone","(1E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one","Cyclocytidine","Ethyl chrysanthemumate","11(Z),14(Z)-Eicosadienoic Acid","Oxaceprol","(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one","4-oxododecanedioic acid","Prostaglandin D1","3-(3,4,5-trimethoxyphenyl)propanoic acid","Prostaglandin D3","Prostaglandin D2","4-Methoxybenzaldehyde","1-Phenyl-3-methyl-5-pyrazolone","16,16-Dimethyl prostaglandin A2","Isorhamnetin","Asp-glu","8Z,11Z,14Z-Eicosatrienoic acid","(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid","trans-Petroselinic Acid","UMP","Retrorsine","2-Phenylglycine","Androstenedione","Asaraldehyde","3-(2-Naphthyl)-D-Alanine","4-Hydroxypropranolol","16,16-Dimethyl prostaglandin A1","N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide","4-(pentyloxy)benzene-1-carbohydrazide","4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile","3-Hydroxybenzoic acid","Thymidine 5'-diphosphate","FPK","4-chloro-1H-indazol-3-amine","Homogentisic Acid","DLK","Indole","N-(5-Aminopentyl)acetamide","Lovastatin","(¡À)10(11)-EpDPA","Prostaglandin A2","Benzamide","Prostaglandin A1","Prostaglandin A3","Glucobrassicin","DL-Arginine","10-Nitrolinoleate","4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid","4-(5H-thieno[3',2':5,6]thiino[4,3-d]pyrimidin-2-yl)benzamide","D-Ribose-1-phosphate","DL-3,4-Dihydroxyphenyl glycol","L-Carnitine","Fluprostenol","¦Á-Lactose","4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one","FQH","Evernic acid","o-Cresol","13-OxoODE","Adenosine","DMK","Gly-Tyr-Ala","Pyridoxine O-Glucoside","Prostaglandin B1","Uric acid","Prostaglandin B2","3-(2-Hydroxyethyl)indole","1,3,5-Trimethylpyrazole","3,14-dihydro-15-keto-tetranor Prostaglandin E2","2-Hydroxycinnamic acid","2-phenyl-1-(2-pyridylmethyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione","23-Norcholic acid","4-morpholinobenzoic acid","2-(14,15-Epoxyeicosatrienoyl) glycerol","D-Erythrose 4-phosphate","ethyl 3-[2-(tert-butyl)-4-(1,3-thiazol-2-yl)phenyl]-2-cyanoacrylate","3,4,5-trihydroxy-6-methyloxan-2-yl 2-(methylamino)benzoate","2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid","2-Isopropylmalate","Hydrocortisone acetate","2-Deoxyuridine","Melatonin","4-Hydroxyretinoic Acid","L-Phenylalanine","N1-isopropyl-2-(phenylthio)benzamide","5-Methylcytosine","Traumatic acid","Tetradecanedioic acid","Propionyl-L-carnitine","Isoproterenol","Docosahexaenoic acid","N-Acetyl-D-galactosamine","Oleanolic acid","Sedoheptulose 1,7-bisphosphate","6 ¦Â-Hydroxycortisol","2-[2-(2-furyl)vinyl]-4H-3,1-benzoxazin-4-one","Sunitinib","SLK","LPE 20:4","FAHFA (4:0/16:0)","Ecgonine","D-(+)-Glucose","(+)-Evodiamine","FAHFA (3:0/18:0)","N-Acetyl-L-tyrosine","Thromoboxane B1","gamma-Glutamylleucine","Tetrahydrocortisone","Threonine","Gibberellin A4","Celestolide","Pleuromutilin","4-(octyloxy)benzoic acid","(+/-)5(6)-EET","FAHFA (18:2/20:4)","Methyl EudesMate","SMH","2-ethyl-2-(3-methoxyphenyl)cyclohexanone oxime","7-Aminoclonazepam-d4","1,1-Dimethyl-2-oxopropyl N-[2-(2-pyridyl)ethyl]carbamate","2-(1-adamantyl)-1-morpholinoethan-1-one","L-Cystathionine","12,13-EODE","5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one","DPK","JWH 412 N-(5-hydroxypentyl) metabolite","DL-Tryptophan","Colchicoside","cis-7-Hexadecenoic Acid","Trehalose","FAHFA (20:2/22:4)","6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide","2,3,4-Trihydroxybenzoic acid","SNH","Erythrono-1,4-lactone","Guanine","2-Naphthol","NADH","(¡À)7(8)-DiHDPA","Epinastine","Taurolithocholic acid","4-Methoxycinnamic Acid","3-Acetyl-2,5-dimethylfuran","3-benzyl-4-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydrofuran-2-one","11(E)-Eicosenoic Acid","Xanthosine","ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate","ethyl 2-[4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl]acetate","D-Threose","3-amino-2,6-diphenyl-4,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one","Lysopg 18:1","Citric acid","1,4-dihydroxyheptadec-16-en-2-yl acetate","N-(1-benzothiophen-3-yl)-N'-(1-benzyl-4-piperidinyl)urea","7-Methylguanine","Bicyclo prostaglandin E2","6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one","1-Methyladenine","3-(4-hydroxy-3-methoxyphenyl)propanoic acid","Oleoyl ethylamide","bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate","N-[4-(benzyloxy)phenyl]-N'-[2-chloro-6-(4-methoxyphenoxy)benzyl]urea","2-(acetylamino)-4-(methylthio)butanoic acid","Prostaglandin K2","Prostaglandin K1","1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-2-oxobutyl acetate","FAHFA (17:0/20:3)","N-(1,3-benzodioxol-5-ylmethyl)-6-morpholinonicotinamide","Tauroursodeoxycholic acid","SPH","Glycocholic acid","Adenosine 3'5'-cyclic monophosphate","Pipecolic acid","P-Coumaroyl Agmatine","Pentadecanoic Acid","SPK","Indole-3-acrylic acid","N3-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide","Nitrosoheptamethyleneimine","Methyl cinnamate","2'-Deoxyuridine","Stearic acid","5-Aminopentanoate","Orotidine","HexCer-AP (t18:0/16:0)","Chenodeoxycholic acid-3-beta-D-glucuronide","2-Hydroxycaproic acid","All trans retinal","6-Hydroxynicotinic acid","11-Ketoetiocholanolone","Adrenosterone","4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid","FAHFA (16:0/20:2)","SQH","1-Palmitoyl-Sn-Glycero-3-Phosphocholine","Asp-Phe","Bisphenol M","Hydroquinone","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol","Bisphenol A","1-adamantyl(1,4-thiazinan-4-yl)methanone","Wogonin","(¡À)13-HODE","2-{[(4,5-dimethoxy-2-nitrophenethyl)imino]methyl}phenol","N-P-Coumaroyl Spermidine","Lumefantrine","L-Anserine (beta-alanyl-N-methylhistidine) (nitrate salt)","Ofloxacin impurity E","Monobutyl phthalate","2'-Deoxyadenosine-5'-monophosphate","Ecgonine methyl ester","N3,N4-Dimethyl-L-arginine","23-Nordeoxycholic acid","J147","1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one","QNH","2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole","L-Adrenaline","FAHFA (4:0/18:0)","N-(2-morpholinophenyl)-2-furamide","¦Â-Asarone","3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","Prostaglandin J2","FAHFA (16:1/18:3)","Cholecalciferol","Hydroxyamphetamine","Thymine","PC (14:0e/3:0)","Vatalanib dihydrochloride","(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside","1-Methyluric acid","D-(+)-Xylose","Stercobilin","3-(methylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole","Ethyl paraben","1-Methyladenosine","N-Acetylglucosamine 1-phosphate","2-{1-[2-(2-fluoro-4-iodoanilino)-2-oxoethyl]cyclohexyl}acetic acid","4-amino-2-(2,4-dimethoxyanilino)-5-pyrimidinecarbonitrile","D-Ribose","4-Hydroxyisoleucine","Trolox","(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one","2-(4-chlorophenoxy)-N-(2-oxo-3-azepanyl)nicotinamide","Ethyl myristate","3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene","aminoimidazole carboxamide ribonucleotide","(¡À)9(10)-DiHOME","Taurodeoxycholic Acid (sodium salt)","Punicic Acid","1-Methylhistamine","Taurine","Coenzyme Q2","Docosanoic Acid","Gamma-Glu-Leu","12-epi Leukotriene B4","Licochalcone A","Guanidineacetic acid","DL-4-Hydroxyphenyllactic acid","17¦Á-Hydroxypregnenolone","N1-[4-(cyanomethyl)phenyl]-4-chlorobenzamide","15-Keto prostaglandin F1¦Á","2-Hydroxyhippuric acid","N-Acetylsphingosine","(¡À)9(10)-EpOME","o-Toluic Acid","L-Threonine","N'-(cyclohexylcarbonyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide","3-(4-Hydroxyphenyl)propionic acid","Testosterone undecanoate","Andrographolide","3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine","LSD-d3","alpha-Ketoglutaric acid","Benzo[E]pyrazolo[5,1-c][1,2,4]triazin-8-yl N,N-dimethylcarbamate","Trigonelline","Pyridoxal","N-Acetyl-Asp-Glu","8-Hydroxyguanosine","5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one","5-Hydroxyindole-3-acetic acid","¦¤2-trans-Hexadecenoic acid","(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one","N6-Succinyl Adenosine","9-methyl-6H-chromeno[4,3-b]quinolin-6-one","2-Oxoglutaric acid","5-(4-methylphenyl)-2-phenyl-6H-1,3-thiazin-6-one","11-Dehydro thromboxane B2","1-Methylguanosine","Cryptotanshinone","ethyl 2-(tert-butyl)-3-chloro-5-cyano-6-morpholinoisonicotinate","Artemisinin","trans-Aconitic acid","2,3-dihydroxypropyl 12-methyltridecanoate","Pyrrole-2-carboxylic acid","1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one","L-Palmitoylcarnitine","Penicillin G","Cystine","Alternariol","22(S)-Hydroxycholesterol","Ip7G","Gentisic acid","Octanedioic acid","Octopamine","L-Tryptophan","Homosildenafil","5-hydroxy-6,7-dimethoxy-2-phenyl-4H-chromen-4-one","FAHFA (16:0/18:2)","Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","Methyl-2-hydroxyisobutyric acid","2-Oxindole","1,2-di(3,4-dimethoxyphenyl)diaz-1-ene","Dopamine","3-amino-1H-pyrazolo[4,3-c]pyridine-4,6-diol","N-Tetradecanamide","Thymidine 5'-monophosphate","4-Guanidinobutanoic acid","Thymidine 3,5-cyclic monophosphate","3-Hydroxylidocaine","gamma-Tocopherol","2-Methylpentanedioic acid","Cholesterol","Pyrogallol","8,15-Dihete","Pantothenate","Testosterone","O-Desmethylnaproxen","Lauric Acid","Dibutyl sebacate","L-Cysteinesulfinic acid","6-methyl-4-(morpholinomethyl)-2H-chromen-2-one","4-Aminobutyric acid","Eicosapentaenoic acid","Uracil","2-chloro-6-[(2-oxoazepan-3-yl)amino]benzonitrile","Isohomovanillic acid","Mycophenolic acid","Tryptamine","Cuminaldehyde","D-Xylonic Acid","Phloroglucinol","L-Kynurenine","Morphine","Creatine","5-Aminolevulinic acid","(¡À)13-HpODE","IDP","4-oxo-5-phenylpentanoic acid","Hematoxylin","1-(4-hydroxyphenyl)-2-phenylethan-1-one","3,4-Dihydroxyphenylpropionic acid","16-Heptadecyne-1,2,4-triol","Cytosine","Ciprostene","2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile","(S)-Leucic acid","Myristic Acid","N,N'-Di-2-naphthyl-p-phenylenediamine","2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenol","3-Succinoylpyridine","LPC 16:0","Glycerol 1-hexadecanoate","N2,N2-Dimethylguanosine","11-Deoxy prostaglandin F1¦Â","11-Deoxy prostaglandin F1¦Á","MMK","Glucosamine 6-sulfate","Lauric acid ethyl ester","N-acetyl-D-glucosamine","Prostaglandin E2-1-glyceryl ester","(2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone","N-acetyl-L-ornithine","2-(3-methylbenzoyl)benzoic acid","methyl 2-[(2-acetyl-3-oxo-1-butenyl)amino]acetate","FAHFA (17:0/19:2)","L-Malate","Adipic acid","Gluconolactone","Adrenic acid","Isorhapontigenin","Calcium D-Panthotenate","Lysopc 14:0","[1-(3-nitro-2-pyridyl)-4-piperidyl](phenyl)methanone","3-isopropoxy-4-morpholinocyclobut-3-ene-1,2-dione","3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one","3-Hydroxypicolinic acid","ACar 20:6","1-(2-pyridin-2-yldiazenyl)-2-naphthol","3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionate","11¦Â-Prostaglandin F2¦Á","2,6-Dihydroxypurine","Homovanillic acid","Nicotinuric Acid","L-(-)-Glyceric acid","2-(acetyloxy)-3-amino-1-[1,2-di(acetyloxy)ethyl]-3-oxopropyl acetate","TAG (16:0-16:0-18:1)","L-Glutamic acid","L-Homocystine","2-(2,5-dimethyl-3-thienyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one","2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one","4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid","dAMP","(+-)-11-hydroxy-delta9-THC-d2","Azilsartan","8-iso Prostaglandin A2","Cantharidin","Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol","Tetrahydromagnolol","(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid","FAHFA (20:1/22:3)","N-Acetyl-D-galactosamine 4-sulfate","Corchorifatty acid F","Oxoadipic Acid","L-(+)-Citrulline","1-(4-bromophenyl)-2-phenylethan-1-one","Dl-3-Hydroxy-kynurenine","D-Panthenol","Palmitic acid","L-beta-Imidazolelactic acid","Mezlocillin","2,3-dinor Prostaglandin E1","¦Â-Estradiol 3-(¦Â-D-glucuronide) 17-sulfate","N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide","D-(+)-Mannose","PE (18:0/18:1)","Vitamin A","Bicine","16-Hydroxyhexadecanoic acid","N1-(1,3,4-thiadiazol-2-yl)-2-(benzoylamino)benzamide","Sodium cholate","1,7-Diphenylhept-4-en-3-one","3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-one","Delta-Tridecalactone","Oxymorphone","Stearamide","Tyramine","4,7-diphenyl[1,10]phenanthroline","(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one","ethyl 5-ethoxy-1H-indole-2-carboxylate","ACar 18:1","(¡À)8-HEPE","Sphingosine (d18:1)","ACar 18:0","MGMG (18:2)","12-Hydroxydodecanoic acid","Sedanolide","Gly-Val","Deoxyadenosine","Riboflavin-5-phosphate","5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one","3,5-Dimethoxybenzoic acid","(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate","N-(4-methoxyphenethyl)-N'-(2-methylphenyl)thiourea","Gatifloxacin","Asp-Phe methyl ester","LPE 17:1","N4-Acetylcytidine","methyl 1-isopropyl-1H-1,2,3-benzotriazole-5-carboxylate","N-(9-oxodecyl)acetamide","S-Adenosyl-L-methionine","N-Glycolylneuraminic acid","LPE 17:0","3-(3-Methoxyphenyl)propionic acid","Ethylmalonate","2-(1H-1,2,3-benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide","Cyclohexylsulfamate","3-Indoxyl sulphate","Flavin mononucleotide (FMN)","3-Methylglutaric acid","Royal jelly acid","17(S)-HETE","1,4-Cyclohexanedicarboxylic acid","Quinoline-4-carboxylic acid","N-{4-[(nitromethyl)sulfonyl]phenyl}acetamide","7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one","Desoxycortone","(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one","Thr-Leu","Skatole","5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol","4-Hydroxy-3-methylbenzoic acid","(9cis)-Retinal","Choline Glycerophosphate","2-Aminobenzenesulfonic acid","Cystamine","12-Oxo phytodienoic acid","All-Trans-13,14-Dihydroretinol","Dl-Threitol","Carbaprostacyclin","N-Acetylputrescine","15-Deoxy-¦¤12,14-prostaglandin A1","5-Aminovaleric acid","N-(1-benzothiophen-2-yl)-N'-(2-methylphenyl)urea","Magnolol","D-¦Á-Hydroxyglutaric acid","Pyrithioxin","Xanthine","Diflorasone","Decanoylcarnitine","D-Glucosamine","Choline","beta-Estradiol 17-Acetate","L-Methionine sulfone","SDMA","(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid","Flavanone","L-Hydroxyproline","Nicotinic acid","ILK","5-Hydroxymethyluracil","Aldosterone","L-Alanyl-L-proline","LPG 18:0","L-(-)-Malic acid","7-Methylxanthine","N-Acetylglycine","Betulin","KQH","N-Acetyl-D-lactosamine","IMH","3-Methoxycinnamic acid","2-Furoic acid","3-Methylindole","Indole-3-pyruvic acid","Undecanedioic acid","Glycyl-L-leucine","2-Amino-1,3-octadecanediol","Oxymatrine","ABL 127","2-Ethyl-2-phenylmalonamide","cyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanone","DL-¦Á-Methoxyphenylacetic acid","N-¦Á-Acetyl-L-asparagine","Salvinorin A","Diosgenin","L-Aspartic acid","5-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate","Galacturonic acid","Lysopc 18:3","tetranor-PGDM","Lysopc 18:2","Lysopc 18:1","LPE 15:0","2'-Deoxyadenosine","Lipoic acid","¦´-Aminobutyric acid (GABA)","Methyl alpha-D-glucopyranoside","(R)-Equol","Thromboxane B3","L-Dihydroorotic Acid","Thromboxane B1","Docosahexanoic acid","Thromboxane B2","L-Argininosuccinate","2,6-Xylidine","4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid","L-Alanyl-L-Lysine","FAHFA (2:0/20:0)","5-Methyl-2'-deoxycytidine","D-Glucono-1,5-lactone","Citramalic acid","Fosfomycin","3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acid","Linoleoyl Ethanolamide","Sinapinic acid","Dihydrothymine","TAG (12:2-12:2-18:0)","Zolpidem-d6","Kanosamine","(+/-)9-HpODE","H-Gly-Pro-OH","Furanyl fentanyl 3-furancarboxamide isomer-d5","D-(+)-Proline","2-Hydroxymyristic acid","Dimetghyl 4-Hydroxyisophthalate","L-2-Aminoadipic acid","N1-(1-phenylethyl)-4-(2-chloro-6-nitrophenoxy)benzene-1-sulfonamide","5-Methoxyindole-3-Carbaldehyde","DL-Glutamine","3-Acetoxyurs-12-en-23-oic acid","1,2-Dihydro-1,2-naphthalenediol","Rutin","Guanosine monophosphate (GMP)","indoline-2-carboxylic acid","4-(allyloxy)-1,2-dihydroquinolin-2-one","2,3-Dihydroxybenzoic acid","5-Methyl-dl-tryptophan","11-keto Testosterone (CRM)","Irinotecan","5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one","acetoacetate","Methacycline","lithocholic acid 3-sulfate","(¡À)9-HpODE","Pregnanetriol","o-Veratraldehyde","D-2-Aminoadipic acid","Estrone","8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one","Isoeugenyl acetate","Mestranol","2-Methoxyestradiol (2-MeOE2)","5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","O-Phospho-L-serine","alpha-Farnesene","(+/-)-Equol","3-Isopropylmalic acid","Leu-Pro","1-morpholino-3-(4-nitrophenoxy)propan-2-ol","2'-O-Methyluridine","Riboflavin","L-(-)-alpha-Amino-epsilon-Caprolactam","3,3-Dimethylglutaric acid","2-Methoxyresorcinol","Limonin","Folic acid","Coniferyl alcohol","Lysope 14:0","Deoxyinosine","D-(-)-Mannitol","13,14-dihydro-15-keto Prostaglandin E2","FAHFA (14:0/16:2)","Gamma-Caprolactone","N-Acetylvaline","D-(+)-Camphor","5¦Á-Dihydrotestosterone","Feruloyl Putrescine","diethyl 2-{[2-(2-thienylcarbonyl)hydrazino]methylidene}malonate","Dl-Glyceraldehyde3-phosphate","mesaconic acid","2-(4-methoxyphenyl)-4H-chromen-4-one","2-{2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetate","GMK","(+)-ar-Turmerone","3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","All trans-Retinal","Phenylglyoxylic acid","4'-Methoxyflavone","UDP-D-glucuronate","Biotin","D-Raffinose","1-Methylxanthine","Glycodeoxycholic Acid (hydrate)","FAHFA (20:0/22:2)","¦Á-Aspartylphenylalanine","2-Methylbutyroylcarnitine","Syringic acid","Bialaphos","N1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]acetamide","Ursolic acid","FAHFA (18:0/20:2)","6-(Dimethylamino)purine","2-phenyl-4H-furo[2,3-h]chromen-4-one","FAHFA (18:2/18:1)","9-HOTrE","FAHFA (5:0/16:0)","2-deoxyglucose-6-phosphate","PC (14:0e/2:0)","trans-10-Heptadecenoic Acid","[3-(3,4-dichlorophenyl)-5-isoxazolyl]methanol","THC","L-Asparagine","FAHFA (2:0/18:0)","Paracetamol","Guanosine monophosphate","VLK","(+/-)11(12)-DiHET","Oleic acid","Glutaric acid","4-Ethylphenol","2'-O-Methyladenosine","Aflatoxin G2","Aflatoxin G1","2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid","H-Trp-NH2","Etiocholanolone","Corey Lactone Diol","Lysopc 20:4","Cytidine 5'-monophosphate (hydrate)","5-Hydroxytryptophol","Pseudouridine","4',7-Dihydroxyflavanone","gamma-Nonanolactone","1-methyl-N-(4-piperidinophenyl)-1H-imidazole-4-sulfonamide","Amitriptyline-d3","FAHFA (2:0/18:1)","11-Oxoetiocholanolone","Isoferulic acid","Epoxomicin","5¦Á-Pregnan-3,20-dione","2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid","LPE 14:0","GPH","4-Pyridoxic acid","Octyl hydrogen phthalate","2,4-dihydroxyheptadec-16-en-1-yl acetate","Guanosine","9-(3-O-Methylpentofuranosyl)-1,9-dihydro-6H-purin-6-one","N-Acetyl-L-methionine","N-[4-(benzyloxy)phenyl]-N'-(1,3-diphenyl-1H-pyrazol-5-yl)urea","13,14-dihydro-15-keto Prostaglandin A2","Kynurenic acid O-hexside","FAHFA (3:0/20:0)","D-Fucose","4-Acetamidobutyric Acid","3-[(2-fluorophenyl)sulfonyl]propanenitrile","N1-(2-pyridyl)-2-(3,5-difluorophenyl)acetamide","(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one","VNK","FAHFA (2:0/16:0)","Chenodeoxycholic Acid","17alpha-Hydroxyprogesterone","dUDP","Lysope 16:0","1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one","7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one","Triacanthine","Boc-beta-cyano-L-alanine","GQH","17¦Á-Hydroxyprogesterone","4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one","ACar 16:1","Biliverdin","3-Coumaric acid","N'2-(2-furylcarbonyl)-3-chloro-4-methylthiophene-2-carbohydrazide","N,N-Dimethylsphingosine","HET0016","2-(1-benzofuran-2-yl)-4H-chromen-4-one","2-Phosphoglyceric acid","6-[(4-methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane","TKK","Sulfamethazine","1-Methylguanine","Uridine","(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid","2-hydroxy-3,6-diphenylcyclohexyl acetate","D-Gluconic acid","5-Aminosalicylic Acid","Homotaurine","Vitamin B2","Prostaglandin E1 Ethanolamide","Malonic acid","ENK","ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate","Hydroxyprogesterone caproate","Dulcitol","Proline","cGMP","ethyl 3-cyano-2-hydroxy-6-phenylisonicotinate","U-44069","3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione","1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid","Testosterone sulfate","2-(cyanomethoxy)-4-(2-furyl)-6-phenylnicotinonitrile","6-Keto-prostaglandin f1alpha","1-Caffeoylquinic Acid","7-hydroxy-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one","2-Aminoethylphosphonic acid","Pizotifen","(2E)-6-hydroxy-2-methyl-6-(4-methylphenyl)hept-2-enoic acid","Thiamine","1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione","(+/-)-Cannabichromeorcin","1,2-dihydroxyheptadec-16-yn-4-yl acetate","Glycoursodeoxycholic acid","Indole-3-acetic acid","3-methyl-5-oxo-5-(4-toluidino)pentanoic acid","2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one","D-¦Ä-Tocopherol","Lagochilin","L-Methionine Methyl Ester","Saxitoxin","Fumaric acid","L-Tyrosine","Acetylcarnitine","L-Dopa","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol","4-Hydroxycoumarin","Adipamide","Linoleic Acid","Cyclohexaneacetic acid","Sulfoacetic acid","EPH","(-)-Caryophyllene oxide","Phenylpyruvic acid","EPK","methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate","Phe-Pro","2-Methylbutyl beta-D-glucopyranoside","N-Oleoyl Dopamine","2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid","3-hydroxy-3-methylpentanedioic acid","4-(1H-pyrazol-1-yl)-N,N-bis(2-pyridinylmethyl)benzenesulfonamide","4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole","Terephthalic Acid","5-Phenylvaleric Acid","PC (14:0e/4:0)","3-methyl-4-[2-(2-methylphenyl)hydrazono]-4,5-dihydro-1H-pyrazol-5-one","gamma-Glutamyltyrosine","TNK","N-(5-acetamidopentyl)acetamide","2-Arachidonyl Glycerol ether","Phlorizin","methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate","Spermidine","4-ethoxy-N-[(4-methoxyphenyl)methylene]aniline","S-(Methyl)Glutathione","1-methyl-3,5-di(1-naphthylmethylidene)piperidin-4-one","2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid","EQH","Taurocholic acid","Aflatoxin M1","LPC 18:0","2-Isopropylmalic acid","2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid","Ergosterol peroxide","LPC 18:1","8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one","Spectinomycin","N-[4-(aminosulfonyl)phenyl]-2-[3,4-dihydro-1(2H)-quinolinyl]acetamide","Meperidine-d5","Avocadyne 1-acetate","Norfloxacin","Urocanic acid","Albendazole sulfone","Propionylcarnitine","Amoxicillin","4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid","ERH","4-benzyl-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carboxamide","p-Mentha-1,3,8-triene","Metanephrine","3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol","Obscurolide A1","Tramadol N-Oxide","3-Acetyl-11-keto-¦Â-boswellic acid","4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one","Suberic acid","JNJ-1661010","5-Methylcytidine","N-Acetyl-¦Á-D-glucosamine","FAHFA (22:4/18:0)","TPH","4-Aminoindole","Epinephrine bitartrate","Piperine","(¡À)11(12)-EET","3,5-di(2-furylmethylidene)tetrahydro-2H-pyran-4-one","N'-[4-(trifluoromethyl)benzoyl]-6-quinoxalinecarbohydrazide","2-acetamido-3-(4-methoxyphenyl)propanoic acid","3-(allylsulfanyl)-4-[4-(benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole","2-[2-oxo-2-(2-pyridylamino)ethoxy]acetic acid","Dehydroepiandrosterone (DHEA)","Acetophenone","N-Acetyl-aspartic acid","4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazole","Creatinine","AKK","5-bromo-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione","PC (14:1e/4:0)","2-{[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]thio}-1,3-benzothiazole","N-Sulfo-glucosamine sodium salt","Acetyl-L-carnitine","Pyridoxine","TQH","N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine","Epitestosterone","RMK","Glycolithocholic acid","Valine","7-Aminoflunitrazepam-d7","13Z,16Z-Docosadienoic Acid","2-Amino-1,3,4-octadecanetriol","13,14-dihydro-19(R)-hydroxy Prostaglandin E1","Lignoceric Acid","tetranor-12(R)-HETE","LysoPE 18:2","Homocysteic acid","Prednisolone tebutate","Theobromine","L-Methionine sulfoxide","Cortisol","Bilirubin","9-Oxo-10(E),12(E)-octadecadienoic acid","RNK","Tenofovir","cholesteryl sulfate","Betaine","4-phenylbenzo[4,5]imidazo[1,2-a]pyrimidin-2-amine","¦Á-Methyl-DL-histidine","N-Methylhydantoin","Levodopa","L-Ascorbate","(3R)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one","4-Acetamidobutanoic acid","AL 8810 Methyl ester","Hesperetin","D-¦Á-Tocopherol","N-Acetyl-DL-glutamic acid","3-Phenyllactic acid","Trimethyllysine","ACar 12:1","4-{3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl}benzene-1,2-diol","L-Leucyl-L-Alanine","Benzyl cinnamate","N,N'-di[4-(2,6-dimethylmorpholino)phenyl]thiourea","Heneicosanoic acid","Cytidine","Enrofloxacin","2-Furoylglycine","N-Acetyl-L-aspartic acid","Indole-3-lactic acid","Clinafloxacin","Isoquinoline","octadec-9-ynoic acid","L-Lysine","P-Aminohippuric Acid","ANH","2-Aminoadipic acid","N-Benzylformamide","Dithranol","¦Ø-Hydroxynorfentanyl","FAHFA (2:0/24:4)","Bz-RS-ISer(3-Ph)-Ome","1-Methylhistidine","Hydrocortisone","PLH","10-Hydroxydecanoic acid","5-(2,5-dihydroxyhexyl)oxolan-2-one","Sphinganine","4-Methylvaleric Acid","Trioxsalen","Deoxycorticosterone 21-glucoside","7,8-Dihydroneopterin","(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","N alpha-Acetyl-L-Arginine","2-Thio-acetyl MAGE","1-(3-methoxy-2-nitrostyryl)pyrrolidine","¦Á-Lapachone","N'-[6-(tert-butyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide","4-acetyl-4-(ethoxycarbonyl)heptanedioic acid","Ethyl malonate","7-Ketolithocholic acid","DL-2-(acetylamino)-3-phenylpropanoic acid","RQH","4-hydroxy-5,8-dimethylquinoline-3-carboxylic acid","1-Palmitoylglycerol","PMK","FAHFA (15:0/17:2)","1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","Monoolein","cyclohexyl[4-(2-methoxyphenyl)piperidino]methanone","2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside","17beta-Trenbolone","APH","dUMP","Progesterone","N-Acetylalanine","Prolylleucine","Allantoin","7-Hydroxy-3,4-dihydrocarbostyril","L-arginine","dihydrotachysterol","Prothionamide","MAG (18:2)","5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one","8(S),15(S)-DiHETE","Tetrahydroaldosterone","ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate","¦Â-Cortolone","4-Guanidinobutyric acid","5-Hydroxytryptophan","L-Saccharopine","L-cysteine","Kynurenic acid","4-Hydroxybenzylcyanide","3-Indoleacrylic acid","DL-Malic acid","LysoPC 12:1","Methyl 3-indolyacetate","Muscone","1-Aminocyclohexanecarboxylic acid","1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside","Palmitoylethanolamide","3-Methoxy prostaglandin F1¦Á","Taurochenodeoxycholic Acid (sodium salt)","2'-Deoxyinosine","5-Methoxyindoleacetic acid","Methionine","Muramic acid","Phosphopyruvic acid","N-lactoyl-phenylalanine","N1-(4-cyclohexylphenyl)-2-[(4-methylphenyl)thio]acetamide","Porphobilinogen","MAG (18:3)","Tyrosol","N2,N6-di(4-methoxyphenyl)-3-nitropyridine-2,6-diamine","L-Arabinitol","Isopropyl myristate","Guggulsterone","Arachidic Acid","(+)-Aphidicolin","2'-Deoxycytidine","Styrene","4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid","Chlortetracycline","Docosatrienoic Acid","C-8 Ceramide-1-phosphate","4-Methyl-2-pentanone","L-Histidinol","(¡À)12(13)-DiHOME","methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate","2,6-Di-tert-butyl-1,4-benzoquinone","Citrinin","Carnosine","3-Methoxytyramine","Oxaliplatin","N1-(2-oxopropyl)-2-phenylacetamide","Docosapentaenoic acid","L-Norleucine","1-Stearoylglycerol","(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","6-Deoxy-D-glucose","trans-4-Hydroxy-L-proline","3-Methylcrotonylglycine","Lithocholic Acid","3-Methyladipic acid","4-Butylresorcinol","(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one","Lysops 22:6","N-allyl-2-(2-methyl-1-benzofuran-3-yl)acetamide","LPC 15:0","Salsolinol","Diaminopimelic acid","Serotonin","2-(carboxymethoxy)-4-methoxybenzoic acid","alpha-Benzylsuccinic acid","Phenylacetylglycine","N-Stearoyl taurine","DL-m-Tyrosine","Ferulic acid","2-(Formylamino)Benzoic Acid","(¡À)19(20)-DiHDPA","L-Homocitrulline","AKB48 N-(4-fluorobenzyl) analog","Leucylproline","ethyl 2,3-dioxo-1,2,3,4-tetrahydroquinoline-4-carboxylate","3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","Kinetin 9-riboside","N-Acetylmannosamine","LysoPE 18:0","Nor-9-carboxy-¦Ä9-THC","Lysopc 17:0","Glu-Glu","6¦Â-Oxycodol N-oxide","8-Hydroxyquinoline","FAHFA (3:0/24:4)","¦Á,¦Á-Trehalose","Ala-Ile","4-Amino-5-imidazolecarboxamide","Cannabidiolic acid","NNK","4-Hydroxybutyric acid (GHB)","Harmine","Dehydrocholic acid","D-(-)-Glutamine","Glucuronic acid-3,6-lactone","Hypoglycin A","PAF C-16","2-Hydroxyphenylalanine","O-Phosphocolamine","17(S)-HpDHA","DL-Citrulline","Methanandamide","4-amino-2-(dibenzylamino)-5-pyrimidinecarbonitrile","Cortodoxone","(S)-AL 8810","Prostaglandin F1¦Á","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one","2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate","N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-benzothiophen-3-yl)urea","LysoPC 10:0","DL-Carnitine","Homoarginine","3-Ureidopropionic acid","13,14-dihydro Prostaglandin E1","Quinine","Coumarin","7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol","Nicotinate ribonucleoside","Sepiapterin","1-(4-Methoxyphenyl)-2-propanone","Succinic acid","Hypoxanthine","Prostaglandin A1 ethyl ester","2'-fluoro-N-[3-(trifluoromethyl)phenyl][1,1'-biphenyl]-4-carboxamide","1-(2-furyl)pentane-1,4-dione","7-(1H-pyrrol-1-yl)-5H-chromeno[2,3-b]pyridin-5-one","Palmitoyl ethanolamide","Strophanthidin","2-Phenylpropionic acid","D-glutamine","N-Acetyl-DL-phenylalanine","15-OxoEDE","2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile","Hippuric acid","Heptadecanoic Acid","NPH","LLK","2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid","N8-Acetylspermidine","(2S)-4-Oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside","1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one","methadone-d9","15(R)-Lipoxin A4","15-Deoxy-¦¤12,14-prostaglandin J2-2-glycerol ester","8-Isoprostaglandin F1¦Á","Shikonin","4-(benzyloxy)benzoic acid","N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide","Resveratrol","N6,N6,N6-Trimethyl-L-lysine","LDGTS 15:0","5-Hydroxyindole","2-Hydroxybutyric acid","5-Methyluridine","FAHFA (18:1/20:3)","5-Hydroxyindole-2-carboxylic acid","Palmitoleic Acid","D-Serine","LPC 17:0","Glutaconic acid","Adenine","(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid","diethyl 3-amino-6-methylthieno[2,3-b]pyridine-2,5-dicarboxylate","D-Ala-D-Ala","O-Arachidonoyl ethanolamine","Gly-Phe","Lapachol","3-Nitro-L-Tyrosine","D-Proline","6-cyclohex-3-enyl-5-nitropiperidin-2-one","N1-(1H-indol-4-yl)cyclohexane-1-carboxamide","L-Serine","Inosine","Dl-3-Hydroxynorvaline","Ecdysterone","D-Phenylalanine","Uridine monophosphate (UMP)","Methylimidazoleacetic acid","Ouabain","LNH","Tetranor-12(S)-HETE","Cholic acid","Arachidonic acid","isoleucine","Protocatechuic acid","2'-Deoxyadenosine 5'-monophosphate","3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one","Pregnenolone","3-(3-Hydroxyphenyl)propionic acid","1,7-bis(4-hydroxyphenyl)heptan-3-one","Anserine","Ureidosuccinic acid","N-Oleoyl Glycine","2-Deoxycytidine-5-monophosphoric acid","(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid","Ala-Gln","6-Methylnicotinamide","4-Phenylbutyric acid","16H-dinaphtho[2,1-d:1,2-g][1,3]dioxocine","13-Hpotre(R)","2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile","1,7-bis(3,4-dihydroxyphenyl)heptan-3-one","PB-22 N-(4-Hydroxypentyl)-3-carboxyindole metabolite","D-Mannose 6-phosphate","2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid","4-Hydroxybenzoic acid","Debrisoquine","L-(+)-Arginine","Nonanoic acid","Soyasaponin I","2-(benzoylamino)-4,5-dimethoxybenzoic acid","NSI-189","Valproic acid","Cmp_257","Abametapir","6-Ketoprostaglandin F1¦Á","3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid","Sebacic acid","4-Phenyl-3-buten-2-one","3-methoxy-2-phenyl-4H-furo[2,3-h]chromen-4-one","N-Phenylacetylglutamine","Kahweol","Methyldopa","N-Acetylhistamine","N-Acetyl-L-cysteine","Nicotinamide","Phylloquinone","11(Z),14(Z),17(Z)-Eicosatrienoic acid","2,4-Dimethylbenzaldehyde","Methyl dihydrojasmonate","3-Methyl-2-oxobutanoic acid","13-HPODE","Maslinic acid","4-Methyl-2-Oxopentanoic Acid","2-Hydroxyvaleric acid","N-Acetylornithine","Anacardic acid","6-Hydroxymelatonin","Oxytetracycline","Picolinic acid","N-(4-butyl-2-methylphenyl)-N'-[4-(4-methylpiperazino)phenyl]urea","Oleoyl ethanolamide","D-Glucarate","LPG 17:0","3-[(2-phenyl-1H-imidazol-4-yl)methylene]-1,3-dihydro-2H-indol-2-one","Apigenin","6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione","Glucose 1-phosphate","4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid","Pyridoxamine","(+/-)9,10-dihydroxy-12Z-octadecenoic acid","L-Pyroglutamic acid","9-Oxo-ODE","Neodiosmin","Ergosterol","Biochanin A","Dodecanedioic acid","N-(2-morpholinophenyl)-2,1,3-benzoxadiazole-4-sulfonamide","N-METHYL (-)EPHEDRINE","(¡À)-Abscisic acid","Androsterone","2,6-di(2-thienylmethylidene)cyclohexan-1-one","Deoxyguanosine","Quinic acid","19(R)-hydroxy Prostaglandin A2","2,4-Dihydroxybenzoic acid","LPE 18:1","LPE 18:2","Acetylcholine","5-OxoETE","Adenosine 5'-monophosphate","Choline bitartrate","1-[4-(1-adamantyl)phenoxy]-3-piperidinopropan-2-ol hydrochloride","2-(3,4-dimethoxyphenyl)quinoline","Tanshinone IIA","2-(3,4-dimethoxyphenyl)ethanamine","D(+)-Phenyllactic acid","nor-6¦Â-Oxycodol","Thymidine","PC (14:0e/19:0)","N1-[1-[(4-fluoroanilino)carbonyl]-2-(2-thienyl)vinyl]benzamide","Pantetheine","Orotic acid","4-(benzoylamino)-3-hydroxybutanoic acid","Lysopa 18:0","1,3-dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate","8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-one","N-Tigloylglycine","Tryptophanol","Nicotinamide N-oxide","YLK","11¦Â-Hydroxyandrosterone","Ne-(1-Carboxymethyl)-L-lysine","1-[5-(2-phenyleth-1-ynyl)-2-thienyl]ethan-1-one oxime","Inositol","CYM-5520","2-Hydroxy-3-methylbutanoic acid","7¦Á-Hydroxytestosterone","HKK","lipoamide","{4-[4-(2-methoxyphenyl)piperidino]-3-nitrophenyl}methanol","DL-Stachydrine","N-(2-hydroxyethyl)-N'-propylthiourea","Linolelaidic Acid (C18:2N6T)","(+/-)5(6)-EET Ethanolamide","Methyl jasmonate","Tetracycline","T-2 Triol","Histamine","3'-Adenosine monophosphate (3'-AMP)","5,7-dihydroxy-2-phenyl-4H-chromen-4-one","Dihydrokawain","4-(methylthio)-6-phenyl-2-(3-pyridyl)pyrimidine-5-carbonitrile","Noroxymorphone","2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid","Nonadecanoic acid","Ethyl oleate","cis-gondoic acid","4-Hydroxy-L-Glutamic Acid","(5-L-Glutamyl)-L-Amino Acid","13,14-dihydro-15-keto-tetranor Prostaglandin E2","(R)-3-Hydroxy myristic acid","Phe-Phe","Mag (18:1)","Methionine sulfoxide","18-¦Â-Glycyrrhetinic acid","Elaidic acid","N-[2-(6-amino-9H-purin-9-yl)ethyl]-N-(2-furylmethyl)amine","Allantoic acid","Hexadecanamide","Oxazepam","Gly-Tyr","Senecionine","p-Hydroxybenzaldehyde","Phosphoethanolamine","Azelaic acid","1,3-Dimethyluracil","4-[1-(acetyloxy)prop-2-en-1-yl]-2-methoxyphenyl 2-methylpropanoate","1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one","16(R)-HETE","Epinephrine","(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine","3-N-Methyl-L-histidine","N-Acetyl-L-leucine","Sodium Dehydrocholate","19(R)-hydroxy Prostaglandin E2","Tolterodine","3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oxime","2,5-Furandicarboxylic acid","1-(1,8-dihydroxy-3,6-dimethyl-2-naphthyl)ethan-1-one","isonicotinaldehyde 4-(5-methyl-2,4-dinitrophenyl)hydrazone","N1-Acetylspermine","6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine","2'-Deoxyguanosine","Deoxycytidine","Chrysin","Valylproline","WKK","N'-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide","Biopterin","4-(hydroxymethyl)benzoic acid","Daidzein","1-Nitrosopiperidine (NPIP)","LPE 16:0","LPE 16:1"],"additional_accession":[]},"is_claimable":false,"name":"Untargeted Metabolomics Data of Rectal Contents from Diarrheic and Healthy Saanen Dairy Goats (MS (MTBLS))","description":"This dataset aims to investigate alterations in intestinal metabolites associated with diarrhea in Saanen dairy goats. A total of 14 goats reared under the same intensive housing conditions were selected, including 7 healthy individuals and 7 diarrheic individuals. Diarrhea was defined based on clinical signs, including wet tail and the presence of pasty fecal residues around the perianal area. Untargeted metabolomics analysis was performed on rectal content samples. The results indicated that organic acids and related metabolites were significantly upregulated in diarrheic goats, suggesting substantial alterations in the intestinal metabolic environment. To further elucidate the interactions between gut microbiota and host metabolism, this study also integrates multi-omics datasets, including: (1) metagenomic sequencing data of rectal contents; (2) 16S rRNA amplicon sequencing data of colonic contents from fecal microbiota transplantation (FMT) mice; (3) transcriptomic data from an inflammatory model of goat small intestinal organoids. These multi-omics data provide a comprehensive resource for understanding the microbiota–metabolite interactions and the underlying mechanisms of diarrhea in Saanen dairy goats.","dates":{"publication":"2026-08-05","submission":"2026-06-03"},"accession":"MTBLS14666","cross_references":{}}