Identified metabolites were annotated using KEGG Compound database (http://www.kegg.jp/kegg/compound/), annotated metabolites were then mapped to KEGG Pathway database (http://www.kegg.jp/kegg/pathway.html).
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["All samples were for two LC/MS methods. One aliquot was analyzed using positive ion conditions and was eluted from T3 column (Waters ACQUITY Premier HSS T3 Column 1.8 µm, 2.1 mm all_fetch_status all_status eb_eye_copy_status eb_eye_entry_counts eb_eye_fetch_status eb_eye_metabolights_complete.xml eb_eye_metabolights_compounds.copy eb_eye_metabolights_compounds.xml eb_eye_metabolights_studies.copy e_fetch_status europe_PMC_metabolights_studies.copy europe_PMC_metabolights_studies.xml head.xml studies.copy study.xml tail.xml thomsonreuters_metabolights_studies.copy thomsonreuters_metabolights_studies.xml 100 mm) using 0.1 % formic acid in water as solvent A and 0.1 % formic acid in acetonitrile as solvent B in the following gradient: 5 to 20 % in 2 min, increased to 60 % in the following 3 mins, increased to 99 % in 1 min and held for 1.5 min, then come back to 5 % mobile phase B witnin 0.1 min, held for 2.4 min. The analytical conditions were as follows, column temperature, 40 °C; flow rate, 0.4 mL/min; injection volume, 3 μL; Another aliquot was using negative ion conditions and was the same as the elution gradient of positive mode.
"],"publication":["Metabolomic profiling of jejunal samples from ETEC-challenged yak calves supplemented with Pediococcus pentosaceus NQ0729."],"submitter_affiliation":["Southwest University of Science and Technology"],"submitter_name":["Xinhong Zhou"],"organism_part":["Jejunum tissue"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["The sample stored at -80 °C refrigerator was thawed on ice. The sample was grinded with liquid nitrogen. A 400 μL solution (Methanol : Water = 7:3, V/V) containing internal standard was added into 20 mg grinded sample, and shaked at 1500 rpm for 5 min. After placing on ice for 15 min. the sample was centrifuged at 12000 rpm for 10 min (4 °C). A 300 μL of supernatant was collected and placed in -20 °C for 30 min. The sample was then centrifuged at 12000 rpm for 3 min (4 °C). A 200 μL aliquots of supernatant were transferred for LC-MS analysis.
"],"organism":["Bos grunniens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS8030"],"author":["Yanbin Zhu. Gansu Agricultural University. zhouxinhong97@163.com."],"data_transformation_protocol":["Unsupervised PCA (principal component analysis) was performed by statistics function prcomp within R (www.r-project.org). The data were processed by UV(unit variance scaling) before PCA.
1.1.1. Hierarchical Cluster Analysis and Pearson Correlation Coefficients
The HCA (hierarchical cluster analysis) results of samples and metabolites were presented as heatmaps with dendrograms, while pearson correlation coefficients (PCC) between samples were caculated by the cor function in R and presented as only heatmaps. Both HCA and PCC were carried out by R package ComplexHeatmap. For HCA, normalized signal intensities of metabolites (unit variance scaling) are visualized as a color spectrum.
1.1.2. Differential metabolites selected
For two-group analysis, differential metabolites were determined by VIP (VIP > 1) and P-value (P-value < 0.05, Student’s t test). For multi-group analysis, differential metabolites were determined by VIP (VIP > 1) and P-value (P-value < 0.05, ANOVA). VIP values were extracted from OPLS-DA result, which also contain score plots and permutation plots, was generated using R package MetaboAnalystR. The data were processed by log2 transformation and Zero-centered before OPLS-DA. In order to avoid overfitting, a permutation test (200 permutations) was performed.
"],"study_factor":["Treatment"],"submitter_email":["zhouxinhong97@163.com"],"sample_collection_protocol":["Jejunal samples were collected from yak calves at the end of the animal trial. Briefly, yak calves were anesthetized and euthanized according to the approved animal experimental protocol. The abdominal cavity was opened immediately, and jejunal samples were collected under aseptic conditions. Jejunal contents or jejunal tissues were rapidly transferred into sterile cryogenic tubes, snap-frozen in liquid nitrogen, and stored at −80 °C until shipment. Samples were transported to the mass spectrometry company on dry ice for LC-MS/MS-based metabolomic analysis.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","Metabolomics","Bos grunniens","Pediococcus pentosaceus","untargeted analysis","Thermo Scientific Q Exactive HF-X","experimental blank","Jejunum tissue","untargeted metabolite profiling"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","Metabolomics","Bos grunniens","Pediococcus pentosaceus","untargeted analysis","Thermo Scientific Q Exactive HF-X","experimental blank","Jejunum tissue","untargeted metabolite profiling"],"mass_spectrometry_protocol":["All the methods alternated between full scan MS and data dependent MSn scans using dynamic exclusion. MS analyses were carried out using electrospray ionization in the positive ion mode and negative ion mode using full scan analysis over m/z 70-1000 at 60000 resolution. Additional MS settings are: ion spray voltage, 3.8 KV or 3.4 KV in positive or negative modes, respevtively; Sheath gas (Arb), 60; Aux gas, 20; Ion transfer tube temperature, 320 °C; Vaporizer temperature, 350 °C; Collision energy, 30,40,50 V; Top N vs Top speed, 10.
"],"metabolite_name":["4,6-Dinitro-O-cresol","4-Hydroxynonenal","Diethyl hydrogen phosphate","DL-2-Aminooctanoic acid","Uridine-5'-diphosphate","cis-3-Hexenyl pyruvate","Acetoxyacetone","Pyrocatechol","alphLinolenic acid","2',3'-Cyclic UMP","Alantolactone","DStearoyl-3-SN-phosphatidylethanolamine","Cytidine-5'-monophosphate","3-Butyl-4-methylphenol","(4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate","Methyl 7-ep12-hydroxyjasmonate glucoside","Kinetin","Methapyrilene","Altretamine","Ketoleucine","5,6-Dihydroxyindole-2-carboxylic acid","Uridine 5'-triphosphate","gammLinolenic Acid","Sethoxydim","Iminodiacetic acid","Gabazine","Amitraz","DG(8:0_8:0_0:0)","2,6-Dimethoxyphenol","Adenosine-2'-5'-diphosphate","Tosyl-L-lysine chloromethyl ketone","D1-propenyl sulfide","1-Hydroxy-2-naphthoic acid","Cys-Ser","4-(Phosphooxymethyl)-2-furancarboxaldehyde","4-Hydroxybenzaldehyde","4-Aminoazobenzene","Cyclohexylamine","LPC(15:0_0:0)","Chimyl alcohol","(2E,8E)-Piperamide-C9:2","Norgestimate","Bafetinib","alphAMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID","N-Oleoyl-L-Serine","Ilexolide A","GammCaprolactone","3a,7b,12Trihydroxyoxocholanyl-Glycine","Mevalonic acid","9-Octadecynoic acid","thromboxane B2","2-Chloro-1-propanol","Dihydrocitronellal","(9E,11E)-Octadecadienoic acid","Caffeic acid","Novamethymycin","Hexadecylamine","2,6-Diisopropylnaphthalene","2-(4-Hydroxyphenyl)naphthalic anhydride","Gln-Leu","1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate","Adenosine-5'-diphosphate","Dihydro-4,4-dimethyl-2,3-Furandione","4-Acetamidobenzoic acid","betMuricholic acid","Salicylamide","Norvisnagin","2-Diethylaminoethanol","3-Hydroxydodecanedioic acid","Thiazolidine-4-carboxylic acid","Pantothenic acid","Ethiofencarb","Alanyleucine","3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid","6-Benzylaminopurine","Glyceraldehyde","Ursodeoxycholic acid 3-sulfate","(4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid","PC(18:0_P-16:0)","Glyuranolide","cis-1,2-Dihydro-3-ethylcatechol","Pteleine","Succinyladenosine","Dalcetrapib","3-Nitrophenylhydrazine","(2R)-2-azaniumyl-3-(methylsulfanyl)propanoate","Metalaxyl","2,3-Dimercapto-1-propanesulfonic acid","Camboginol","2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one","(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid","2,4,5-Trimethyloxazole","Pentoxyl","[8-(2-Acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] propanoate","4-Methoxybenzaldehyde","Mephedrone","13,14-Dihydro-15-keto-PGE2","Pyridine","Ethyl N-acetyl-L-tyrosinate","2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium","¦Ä-Valerolactam","16-Hydroxytabersonine","Lyxo-2-Hexulose","Fluvoxamine","3-Methyladenine","3-Hydroxybenzoic acid","4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one","Furan","Indole","Lificiguat","Avocadyne","Norpropoxyphene","Isocitric acid","2,5-Dichloro-1,4-benzoquinone","xTetrahydro-6-propyl-2H-pyran-2-one","Plumbagin","(Z)-Cinnamyl acetate","3-Methyloxindole","2-Acetyl-5-methylpyridine","2-Methyl-3-(methylthio)pyrazine","Tagatose","2,4,6-Triethyl-1,3,5-trioxane","o-Cresol","2,6-Diamino-7-hydroxy-azelaic acid","Pebulate","2-Benzylideneheptanal","Adenosine","LPA(18:2_0:0)","Dihydroactinidiolide","N-palmitoyl phenylalanine","(E)-1-Propene-1-sulfenic acid","L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid","Pro-Ile","Cathinone","Piceid","Ethoxysulfuron","1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide","Acitretin","Peracetic acid","3-Hydroxytetradecanedioic acid","Precocene II","Methylacetoacetic acid","Benzene","PS(22:4_22:5)","Schradan","Deoxyinosine diphosphate","5-Methylcytosine","Dipiperamide A","Succinaldehyde","Chinomethionat","5,5'-Dehydrodivanillate","2-Azaniumyl-5-(carbamoylamino)pentanoate","Isoproterenol","2(3H)-Furanone","D-erythritol 1-phosphate","Docosahexaenoic acid","Uridine diphosphate glucose","Phytanic acid","Pinosylvin","N-Acetyl-L-tyrosine","2-Methyl-D-serine","MG(18:1_0:0_0:0)","Carbendazim","(S)-10,16-Dihydroxyhexadecanoic acid","Indole-3-glycerol phosphate","Trp-glu","(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate","Threonine","Cerberin","Tetraacetylethylenediamine","1,3-Butadiene","Nicotinamide riboside","Tetrahydroharman-3-carboxylic acid","His-Ser","Glycerophosphorylethanolamine","N(6)-(dimethylallyl)adenosine 5'-monophosphate","Lysine","3alpha,7alpha,12alpha,26,27-Pentahydroxy-5betcholestane 26-sulfate","Dipropyl trisulfide","Benzenesulfonimidic acid","1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine","Phenylacetaldehyde","LPC(18:0_0:0)","Geranyl acetate","5,6,7,8-Tetrahydro-4-methylquinoline","Lophotoxin","2-Oleoylglycerophosphocholine","Bufotalin","Erythrono-1,4-lactone","Quinmerac","NADH","Tetrahydrocortisol","1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine","Taurolithocholic acid","Petroselinic acid","(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol","3-methoxybenzene-1,2-diol","N-[2-(1H-Indol-3-yl)ethyl]docosanamide","N-Acetylarylamine","Methanol, (methyl-ONN-azoxy)-","7-Methylguanine","3-Hydroxy-3-methyloxindole","Serratine","Nicotine imine","Desmedipham","2-Undecanone","Maleamic acid","19-Noretiocholanolone","Desogestrel","N-(2-hydroxyethyl)icosanamide","alphPC-M6","Benzeneacetonitrile","4-Hydroxymethamphetamine","1-Octadecylglycerone 3-phosphate","N4-Acetylaminobutanal","Geroquinol","Phe-Val","Pipecolic acid","(4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid","(2S)-4-[(E)-2-(carboxymethylamino)vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid","4-Hydroxyphenyl thiocyanate","(5R)-5-methoxypyrrolidin-2-one","N-Acetylimidazole","16alphBromo-17betestradiol","Glucose 6-phosphate","2'-Deoxyuridine","(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one","Carnitine C5:1","Indole-3-carboxaldehyde","Stearic acid","Tretinoin","Amidithion","(1S,2R)-3-Methylcyclohex3,5-diene-1,2-diol","Sinalbin A","2-Hydroxycaproic acid","Isovaline","DG(16:0_22:1_0:0)","Adrenosterone","Cinnamyl alcohol","Polymannose","Carnitine","Hydroquinone","Geranic acid","9-Riburonosylhypoxanthine","O-acetyl-L-serine","2,4-Dimethylthiazole","Taurochenodeoxycholic acid","2'-Deoxyadenosine-5'-monophosphate","5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one","Prostaglandin I2","Molybdate","Guanidine","5-Methoxyindoleacetate","2-Amino-3-hydroxy-4-methylbenzoyl-AMP","Testosterone enanthate","PC(18:0_18:2)","Cyclopentanethiol","16-Oxosteroid","Piperolein B","Tiludronic Acid","Cycloprotobuxine C","Empenthrin","Adenosine-5'-triphosphate","4-Hydroxybenzyl alcohol","13,16,19-Docosatrienoic acid","Thymine","Arginyl-Histidine","Docosanedioic acid","Isopropylpyrazine","1,2,3-Trichlorobenzene","Pelargonic acid","D-Ribose","3alpha,17alphDihydroxy-5betpregnan-20-one","2-Furancarboxaldehyde","Castacrenin C","Maleic hydrazide","Ethyl pentadecanoate","N-Palmitoylglycine","Dicrotophos","5,8,11-Eicosatrienoic acid, 14,15-dihydroxy-, -","gammButyrolactone","Janthitrem B","Hydrocinnamic acid","p-Cresol sulfate","Arachidic acid","Zapotidine","Zinniol","Matromycin","Probucol","7-Chloro-2-dibenzofuranol","2-Hydroxybenzaldehyde","Pirbuterol","betD-3-Ribofuranosyluric acid","2-(Dimethylamino)acetonitrile","1,6-dO-phosphono-betD-fructofuranose","Carnitine C12:1","Carnitine C12:0","Trimethobenzamide","N-Cyclobutylmethyl-14-hydroxydihydronormorphine","Didemethylcitalopram","8-Amino-7-oxononanoic acid","Cyclododecanone","4-Aminophenol","Verruculogen","Sulfoglycolithocholate","Trigonelline","Benzenesulfonic acid, undecyl-","2-Methyl-4-(pyridin-3-ylethynyl)thiazole","2,5-Diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine","N-Acetyl-D-glucosamine","Hematoporphyrin","N-Propionylglycine","3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate","Hydroxyecdysone","2,5-Diethyltetrahydrofuran","MG(18:2_0:0_0:0)","1-Deoxy-D-altro-heptulose 7-phosphate","4'-Chloroacetophenone","2-Amino-3-oxoadipate","Ethyl butylacetylaminopropionate","Guanosine-5'-monophosphate","Guanethidine","cis-11-Eicosenoic acid","Angelic acid","Sarcostin","cis-Acetylacrylic acid","Glycerophospho-N-Oleoyl Ethanolamine","2-Naphthalenesulfonic acid","DN-acetylchitobiose","Iditol","O-Carbamoyl-L-serine","Pyrrole-2-carboxylic acid","Ethyl icosapentate","9,10-EpOME","Bioresmethrin","Stylisterol C","Diammonium ethylenebis(dithiocarbamate)","1,2-Diacylglycerol-LD-PE-pool","Retinol acetate","2-Aminobutyric acid","Quinaldic acid","5-Methylthiopentanaldoxime","1-(13Z,16Z-docosadienoyl)-2-tetradecanoyl-glycero-3-phosphoserine","Octopamine","CMP-N-glycoloyl-betneuraminic acid","Carnitine C6:1","Carnitine C6:0","1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine","Curcumol","Dopamine","17-Hydroxylinolenic acid","Obeticholic acid","Brevianamide F","C24:1 Sphingomyelin","Sorbitan monopalmitate","xDihydro-2-methyl-3(2H)-thiophenone","Epiandrosterone","FFA(22:5)","Testosterone","Ser-Arg","Eicosadienoic acid","Palmitoyl Serinol","Tyr-Ala","N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine","Eicosapentaenoic acid","3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide","Vidarabine","5-phospho-alphD-ribose cyclic-1,2-phosphate","Iminoaspartic acid","2,4-Hexadienoic acid","Cinnamaldehyde","p-Phenetidine","2-Hydroxy-4-methylpentanoic acid","Crotonic acid","Cuminaldehyde","1-Palmitoyl-2-oleoyl-sn-glycerol","Adipostatin A","Creatine","Robustine","o-Methoxyphenyl sulfate","4',5,7-Trimethoxyflavone","Ajugalactone","Oxandrolone","Oxiglutatione","1,4,7-Triazacyclononane","LPC(0:0_22:4)","PE(18:0_20:4)","TRIAZIQUONE","2-Acetylthiazole","Asp-Asn","Dihydro-4-mercapto-3(2H)-furanone","Tyr-Asp","5-Chloro-2-hydroxy-p-benzoquinone","Bexarotene","4-Ethylphenyl sulfate","Grevillol","N2,N2-Dimethylguanosine","12-Hydroxy-12-octadecanoylcarnitine","22-Oxodocosanoic acid","Cyanuric acid","Hydroxyquinoline","Tricin 7-glucuronoside","Polypropylene glycol (m w 1,200-3,000)","Acetohydroxamic Acid","5betCholestane-3alpha,7alpha,12alphtriol","L-Cysteine, S-propyl-","deltHexanolactone","Adipic acid","Dephospho-CoA","5-Hydroxyisourate","3-Acetylthiophene","Tiliacorine","Apiitol","N-Nitroso-N-methylurea","GDP-L-fucose","Geranylbenzoquinone","2-Hydroxy-4-imino-2,5-cyclohexadienone","2-Hydroxy-3-(phosphonooxy)propyl stearate","Faicar","Methylgingerol","Undecylenic acid","4-Hydroxytamoxifen","Xanthopterin-B2","Zerumbone","4-Methyl-1-phenyl-2-pentanol","Spirotaccagenin","6-Acetamidohexanoic acid","Canrenone","p-Isopropyl-alphmethylstyrene","Calpeptin","12-HOME","Aceglutamide","Uridine-5'-diphospho-N-acetylgalactosamine disodium salt","Amobarbital","Arg-Thr","1,2,3-Propanetricarboxylic acid","N,N-Diethylglycine","N-Acetyl-L-phenylalanine","FFA(10:0)","1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine","Dihydroxyacetone phosphate","3-Hydroxyglutaric acid","1-(Ammoniomethyl)cycloheaxaneacetate","3-Hydroxypropenoate","sn-Glycerol 3-phosphate","[(2R)-3-hydroxy-2-(octadecanoyloxy)propoxy]phosphonic acid","p-Cresol glucuronide","Fenhexamid","Alanyllactate","Dimethyl fumarate","2,4-Diaminobutyric acid","Carnitine C16:2","4-Hydroxycinnamic acid","Carnitine C16:1","4-Oxo-4-(pyridin-3-yl)butanal","Vitamin K","Tyramine","3-Methyl-2-phenylbutanal","PS(18:0_20:4)","(R)-Mevalonic acid-5-pyrophosphate","12-Hydroxydodecanoic acid","ANTHRACENE","(S)-Methylmalonic acid semialdehyde","2-Nitro-P-phenylenediamine","4-Hydroxybenzyl isothiocyanate","5,6-dihydroxy-3-methylquinolin-2(1H)-one","2-p-Methoxyphenylmethyl-3-acetoxy-4-hydroxypyrrolidine","(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione","N,N'-dinitrosopiperazine","(5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol 23-D-glucuronide","Neuraminic acid","3-Hexenedioic acid","1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol","Dihydroroseoside","Ala-Ser","2-Ethyl-3-propylacrolein","Chlorthiamid","3-Methylglutaric acid","PE(P-18:0_22:6)","Butoconazole","2alph(Hydroxymethyl)-17-methy5alphandrostane-3beta,17betdiol","LPC(20:4_0:0)","2,5-Dimethyl-3(2H)-furanone","Succinic acid semialdehyde","5'-phosphoribosyl-N-formylglycinamide","Avermectin B1a aglycone","N-Propionylimidazole","3-Hydroxyoctanoic acid","Kynurenine","4-Methyleneproline","4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one","Hydroxyphenyllactic acid","Isobergaptol","1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium","(3-Carboxy-3-oxopropyl)(hydroxy)oxophosphanium","Alanine","Levulinic acid","(4S)-4-[-octadec9,12,15-trienoyloxy]-4-(trimethylazaniumyl)butanoate","Linoelaidic acid","(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol","Azulene","4-Hydroperoxy-2-nonenal","Indolylmethylthiohydroximate","(Carboxymethoxy)succinic acid","Choline","Physoperuvine","Diethatyl-ethyl","Asparagine","LPS(22:6)","4,5-Dihydro-5-methyl-3-thiophenethiol","Bromomethane","2,3-Dihydrobenzofuran","L-Ascorbate 6-phosphate","Trandolaprilat","Tricrozarin A","2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one","Nicotinic acid","2-(2-Methylpropoxy)naphthalene","1-[2-amino-3-(1H-indol-3-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid","Prostaglandin D2-1-glyceryl ester","1,3,5-Trichloro-2-methoxybenzene","Repaglinide aromatic amine","Prenol","2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid","N-Carbamoylsarcosine","(2-Amino-1-hydroxyethyl)phosphonic acid","2-hydroxyacrylic Acid","N-lactoyl-Methionine","Nandrolone","2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone","8-Hydroxyguanine","1-Methyl-3-(2-methyl-2-propenyl)-cyclopentane","Pov-pc","4-Methoxy-2,4-dioxobutanoic acid","Fucitol","16-Oxohexadecanoic acid","Glufosinate","2-Furoic acid","N-Methyl-aminoisobutyric acid","Glycyl-L-leucine","Swertiamarin","Pro-Asn","1-Methylpyrrolinium","Fasoracetam","Dimethyl sulfoxide","Amodiaquine","1-Phenyl-1,3-eicosanedione","Methyl acetate","Pyruvaldehyde","Lipoic acid","Isohumulinone A","DL-Carbidopa","Deoxycytidine diphosphate","O-Phosphorylhydroxylamine","2,3-Dihydroxy-1,4-dithiobutane","Leucine","Methyl oleate","Fesoterodine","(S)-Mandelic acid O-betD-Glucopyranoside","Citramalic acid","1,3,7-Trimethyl-5-hydroxyisourate","Epsilon-caprolactam","p-Aminobenzoic acid","3-Amino-2,3-dihydrobenzoic acid","Ganoderenic acid E",",,-Trimethyl-L-lysine","2-Hydroxymyristic acid","1-Methoxypyrene","1,4-Naphthoquinone","Indolmycin","Hexadecenoic acid","Allyl methyl sulfone","3-Guanidinopropionic acid","Dethiobiotin","2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-2,3-dihydro-4H-chromen-4-one","4-Heptylphenol","Glycolaldehyde","Trp-Asp","Paclobutrazol","Indole-3-carboxylic acid","Cyclopentadiene","1-Heptadecanoyl-sn-glycero-3-phosphocholine","Fenbufen","Estrone","1-Pentadecanoyl-glycero-3-phosphate","Glycyl-L-phenylalanine","1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine","2-Aminoacetophenone","5-Methoxytryptophol","Propiomazine","Enantio-PAF C-16","Thr-Phe","Palustrine","Lipoxin B4","2-Acetamido-3-methylbutanoic acid","2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol","Isoguvacine","(S1)-Methoxy-3-heptanethiol","Mebendazole","Coniferyl alcohol","Stearoylcarnitine","Glu-Leu","D-Dencichin","1-(11Z-eicosenoyl)-glycero-3-phosphate","BW-A868C","Lamivudine-monophosphate","PC£¨18:0_20:4£©","Semidehydroascorbic acid","Cholesteryl acetate","2-Methylbenzoic acid","2-Methyl-1-methylthio-2-butene","Ethionamide Sulfoxide","7,3'-Dihydroxy-4'-methoxy-8-methylflavan","2,3-dinor-8-epi-prostaglandin F2alpha","3-alpha,20-alphDihydroxy-5-betpregnane 3-glucuronide","Glutamylglutamine","Medica 16","5-Pentyl-1,4-dioxan-2-one","1-Methylxanthine","2-Phenylphenol","L-4-hydroxy-2-oxoglutaric acid","2-O-(alphD-glucosyl)-sn-glycerol 3-phosphate","Mesaconic acid","Phenazine-1,6-dicarboxylic acid","3,4,5-trihydroxy-6-(1H-indole-3-carbonyloxy)oxane-2-carboxylic acid","L-Aspartyl-L-phenylalanine","Triacetic acid","2-chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone","Triethylene glycol monomethyl ether","1,2,3-Trihydroxybenzene","m-Chlorobenzoic acid","L-Glutaminyl-L-tryptophan","Butyrylcarnitine","Cerivastatin","20-Dihydrodydrogesterone","Ureidopropionic acid","alph(Hydroxymethyl)serine","Desmethylastemizole","2-Hydroxyquinoline","Sulbentine","Dicyclomine","Estriol","Eugenyl benzoate","4-Propylphenol","N-Acetyl-L-glutamate 5-semialdehyde","9-HpODE","exo,exo-1,8-Epoxy-p-menthane-2,6-diol","(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne","5-Hydroxytryptophol","Pseudouridine","2-Methylglutaric acid","Sativanine B","Farnesol","2-Ethyl-2-Hydroxybutyric acid","Imidacloprid","1D-myo-Inositol 3,4-bisphosphate","2,4-Thiazolidinedione, 5-[[4-[2-(methylamino)ethoxy]phenyl]methyl]-","DG(16:0_20:3_0:0)","N-(13-Methyltetradecyl)acetamide","Benzoyl cyanide","Guanosine","LPC(O-16:0_2:0)","3-Hydroxydecanoic acid","Octafluorocyclobutane","Chlorpromazine","Metominostrobin","1-Pentadecanoyl-glycero-3-phosphoethanolamine","3-Methylxanthine","Dihydrostreptosyl streptidine 6-phosphate","Ribaline","Keto-Deoxy-Nonulonic acid","Potassium acetate","25-Hydroxycholesterol","Hexadecanedioic acid","Ifosfamide","Clioquinol","D6-Ambrettolide","2-(3,4,5-Trimethoxyphenyl)-4H-chromen-4-one","Amphibine H","trans-trans-Muconic acid","1-Hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)","Memantine","2'-Adenylic acid","PS(14:1_22:1)","Glu-Phe","Tulipalin B","2,4-Diamino-6-nitrotoluene","Indole-3-carbinol","trans-Lachnophyllol","Tyrosyltyrosine","Isopentenyladenine","Isoxanthopterin","12-Methyltetradecanoic acid","1-Naphthoic acid","Stigmasterol","3-Hydroxymethylglutaric acid","Marimastat","Lauroyl diethanolamide","Obacunone","Cerulenin","3-Buten-1-amine","Carnitine C19:2","(R)-2-Methylpyrrolidine","aurachin C epoxide","1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","Suberylglycine","[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] hydrogen sulate","Ethylene carbonate","1-Docosadienoyl-glycerol","3-Methylglutaconic acid","1-Palmitoylglycerol 3-phosphate","12,13-DiHOME","N-Methylvaline","PS(22:6_22:2)","Myrsinone","4,4'-(2-Methylpropylidene)bisphenol","DG(9M5_9D5_0:0)","Samaderin A","Midazolam","3-(2-Methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-one","Thr-Trp","Malaoxon","3-Methyl-L-histidine","Dihydroxyacetone phosphate acyl ester","3-Hydroxycinnamic acid","alphIonone","Phe-Pro","7-Ethyl-3,6-dihydro-1,4-dimethylazulene","2-Benzofurancarboxaldehyde","Acetone oxime","PS(22:2_22:6)","Glucose","D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate","2-Methoxycinnamaldehyde","2-Pyrocatechuic acid","15,5-Farnesanolide","2,5-Dihydroxybenzaldehyde","1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine","2-Aminonaphthalene","2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one","16alpha,17alphDihydroxyprogesterone acetophenide","PE-NMe(18:0_18:0)","10-Hydroxycamptothecin","ADP-ribose 2'-phosphate","2-Keto-3-deoxy-6-phosphogluconate","2-Dodecylbenzenesulfonic acid","Tarennoside","3'-Deoxyguanosine","2-(7'-Methylthio)heptylmalic acid","Violanone","Trimetazidine","Ethyl 2-pyrrolecarboxylate","Albendazole sulfone","N3-Metyladenine","11-Dehydro-thromboxane B2","4-Hydroxydebrisoquine","LPS(18:2)","cis-3-Hexenyl tiglate","LPC(14:0_0:0)","Allothreonine","Polygodial","Hydroxyoctanoic acid","Hydroxybutyrylcarnitine","LPE(0:0_16:1)","6-Hydroxy-5-methoxyindole glucuronide","Glutamic acid","N-Stearoyl Taurine","[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate","Semilepidinoside B","Psicose","Crotyl alcohol","LPE(20:0_0:0)","Vanillylamine","3-Methoxyanthranilate","Inositol 1,3-bisphosphate","Ajaconine","m-Cresol","LPE(0:0_16:0)","O-Decanoyl-L-carnitine","5-(Aminomethyl)-2-methylpyrimidin-4-amine","Farnesyl phosphate","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)","Pimelic acid","Descinolone","cis-3-Chloroallyl aldehyde","Polyethylene, oxidized","3-Aminopentanedioic acid","Trimethylamine","5-Aminopentanoic acid","Coproporphyrin III","Doxefazepam","2-Phenylacetamide","5'-Deoxy-5-fluorocytidine","Valine","4-(2,6,6-Trimethylcyclohex1,3-dienyl)but-3-en-2-one","1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)-","4-Hydroxystyrene","4-phenylbutanic acid-O-sulphate","Ketoprofen glucuronide","Enniatin B","PG(18:2_18:0)","2,6-Dtert-butylhydroquinone","2-Pyridinemethanamine","4-(Hydroxymethyl)benzenesulfonic acid","Guanosine diphosphate mannose","(r)-Methylmalonate semialdehyde","Zizybeoside I","12-hydroxyicosanoic acid","Itaconic acid","2-Benzylmalate","Acetaminophen sulfate","Betaine","5-(2-Hydroxyethyl)-4-methylthiazole acetate","5b-Cholestane-3a,7a,12a,25-tetrol","Mitoxantrone","Glu-Tyr","N-arachidonoylglycine","Dihydroartemisinin","1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine","Pterin","1-Phenyl-1,3-octadecanedione","alphIrone","2-Amino-2-(2-methylenecyclopropyl)acetic acid","Carnitine C7:DC","PC(O-16:0_0:0)","3-Phenyllactic acid","nectandrin-B","Cytidine","1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine","cis-betDavanone","Carvyl acetate","Indole-3-lactic acid","Isoquinoline","2,4-Heptadecanedione","Phosphoserine","Galactosylhydroxylysine","nuatigenin 3-betD-glucopyranoside","Dimorphecolic acid","Hydroxyminaline","Suxibuzone","prostaglandin G2 2-glyceryl ester","Calafatimine","3-Hydroxyisovaleric acid","Glu-Cys","10-Hydroxydecanoic acid","4-Methylvaleric Acid","Phenolphthalin","N-Methylalanine","N-octanoylsphingosine 1-phosphate","Nootkatone","1,9-Heptadecadiene-4,6-diyne-3,8-diol","4-Methylbenzyl alcohol","1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one","25-Hydroxyvitamin D2","2-Bromo-1H-indole-3-carboxaldehyde","Testosterone glucuronide","2-Methylimidazole","Azacyclonol","Lactic acid","6,7-Benzocoumarin","Benzylamine","Ethisterone","Methyl (¡À)-3-hydroxyhexanoate","(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate","Gallocatechin","Allantoin","1,2-Dimethoxybenzene","Ile-Asp","(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid","Carnitine C7:1","2-Methylvaleric acid","3-Hydroxysuberic acid","Formylanthranilic acid","3-(Imidazol-4-yl)-2-oxopropyl phosphate","2-Deoxyribose-5'-phosphate","L-Homoserine","PS(22:5_22:5)","2,4-Dimethyl-4-nonanol","(E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide","Xanthurenic acid 8-methyl ether","4-Aminopyridine","1,11-Undecanedicarboxylic acid","4-Guanidinobutyric acid","Iminoacetic acid","5-Hydroxytryptophan","Carnitine C7:0","Phosphoenolpyruvate","Phe-ala","Taxifolin","Sparfloxacin","4-Phenyl-2-butanol","LPC(22:5_0:0)","Dipotassium hydrogen phosphate","3-Hydroxyhexobarbital","FFA(13:0)","cyclic ADP-ribose","2,8-Quinolinediol","1-Aminocyclohexanecarboxylic acid","2-Hydroxyfluorene","Ciclopirox","Cohibin D","Sinapine","2-Chlorodiazepam","2-Methyl-3-thioacetoxy-4,5-dihydrofuran","Styrene","CPA£¨18:1_ 0:0£©","Nicotinamide Adenine Dinucleotide Phosphate","Glycerophospho-N-Palmitoyl Ethanolamine","2,4-Dichlorophenoxyacetic acid","Edetic acid","3,4-Dimethoxybenzoic acid","Eleganin","(Z)-5-oxohex-2-enedioic acid","Osajin","Ethyl glucuronide","Idebenone","PC(8:0_8:0)","1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine","L-Norleucine","Caffeic acid phenethyl ester","Tetrahydroneopterin","(8r,9s,10r,13s,14s,17r)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(4'h,6h)-dione","1,2-Didecanoylglycerol","Zoledronic acid","Pentadecanoic acid","Nifuradene","MET-enkephalin","1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine","Serotonin","Carnitine C20-OH","1-Heptadecanoyl-glycero-3-phosphate","LPE(22:5_0:0)","3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","HC Blue 1","Ferulic acid","2(5H)-Furanone","N-Hydroxy-L-asparagine","Huperzine-A","1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoserine","D-fructofuranose 1,6-bisphosphate","2-Chloro-(1,1'-biphenyl)-4,4'-diol","1-Methyl-1,3-cyclohexadiene","Hexylamine","Pipericine","[5-(Aminomethyl)-3-furyl]methyl diphosphate","Tocotrienol","N-Acetylserotonin","Aprobarbital","11,13-Dihydrotaraxinic acid glucosyl ester","Lpa(0:0_18:2)","Rehmaionoside A","7alphMethyl-4-pregnene-3,20-dione","Aminocaproic acid","Xanthotoxol","Mimosine","2,3-Diaminopropionic acid","Erythrocentaurin","Oleoylcarnitine","Pentadecylamine","D-galactaro-1,5-lactone","6betNaltrexol","(S)-9-Hydroxy-10-undecenoic acid","Betavulgaroside VII","Isopentenyl pyrophosphate","Ethylmethylacetic acid","1-Oleoyl-2-acetyl-sn-glycerol","1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate","N-Arachidonoyl dopamine","3-Hydroxy-2-methyl-4H-pyran-4-one","2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione","Rigin","LPA(22:5_0:0)","9,10-Dihydroxystearic acid","Clofibrate","Dolichyl b-D-glucosyl phosphate","Lovastatin acid","LPE(18:1_0:0)","Hexylbenzene","D-ribofuranose 5-phosphate","3-Amino-3-(4-hydroxyphenyl)propanoic acid","(2R)-2-Hydroxy-2-methylbutanenitrile","Glyceraldehyde-3-phosphate","3,5-Dinitrocatechol","4-Methylimidazole","4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone","Myristic acid","Hypoxanthine","16-Methylheptadecanoic acid","tyrosine","2,4-Dinitrophenol","Gly-Trp","Dihydro-5-propyl-2(3H)-furanone","alphMethylene-gammbutyrolactone","1,2-Dioleoyl-sn-Glycero-3-Phosphocholine","Phenyl betD-glucopyranoside","2-hydroxy-dATP","p-Cymene","5-(2-Aminopropyl)benzofuran","Atractyloside G","Cytarabine","4-Hydroxycyclohexylcarboxylic acid","Resveratrol","Carnitine C11:0","2-Amino-1,5-anhydro-2-deoxyglucitol","Ophthalmic acid","Glyceryl arachidonate","Cibulins","Oxindole","Taurallocholic acid","Etilamfetamine","coenzyme F420-0","Benzene oxide","Adenine","(1S,2R,3S,7R,9R,10R,11S,12R)-3,10,11-Trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one","Thiram","8-Methylthiooctanaldoxime","Oxoadipic acid","Isobutyric acid","Diisopropylphosphate","2-Ethylhexanoic acid","2-Phosphoglycolic Acid","Purine","Sterebin Stevia rebaudiana","5-Hydroxy-2-furoic acid","S-(2-carboxypropyl)-Cysteamine","(¡À)-1,3-Butanedithiol","Propargite","Quinacrine","1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide","Ouabain","Cortolone","Chrysanthemic acid","Leu-Ile","Cholic acid glucuronide","Riesling acetal","Zygadenine","Cholic acid","Arachidonic acid","5-(2-Furanyl)-3,4-dihydro-2H-pyrrole","1-Lyso-2-oleoyl-phosphatidic acid","1,2,4-Trichlorobenzene","Melibiose","Lucidenic acid E","N-docosahexaenoyl GABA","Betazole","Valylcysteine","Methyl 3-methyl-2-oxopentanoate","5-Phosphonooxy-L-lysine","1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine","Stigmatellin Y","3-Hydroxybenzaldehyde","Stigmatellin X","2,2-Bis(4-hydroxyphenyl)propanoic acid","Stellettamide A","2-Naphthaldehyde","Farnesyl diphosphate","(S)-14-Methylhexadecanoic acid","Cucurbitacin C","Diethyl malonate","13-HOTE","1,2-bis(Heptanoylthio)glycerophosphocholine","(8)-Gingerol","Ile-Ala","cis-3-Hexenal","Theophylline","Cucurbitacin S","6-(4-ethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid","Bovinic acid","7-Ketodeoxycholic acid","Furan-2,5-dicarbaldehyde","Ethyl isopropyl ketone","Acetylenedicarboxylic acid","Ephedroxane","Triethylenephosphoramide","2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9dihydroxy-4Z,10(14)-oplopadien-3-one","Picolinic acid","Neocnidilide","Penitrem B","Sumiki's acid","7alphHydroxy-3-oxo-4-cholestenoic acid","Pyroglutamic acid","Mannitol","2-(1-Piperazinyl)pyrimidine","Ecdysone","Pyridoxamine","PE-NMe2(18:0_18:1)","1-Stearoyl-2-arachidonoylglycerol","N-Methylnicotinamide","5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","2-Butylbenzothiazole","(S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate","h-gammGlu-leu-oh","Glycyl-L-arginine","13-Hpode","DL-Dopa","Glutaminyl-lysine","Apigenin 7-O-(2''-O-acetylglucoside)","3-[14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","Lysopine","Deoxy-5-methylcytosine-ester","Fluorene","Phenyl acetate","Glucurolactone","Norsalsolinol","6-Keto-prostaglandin F1alpha","3-Palmitoyl-sn-glycerol","Ursodeoxycholic acid","S-Allylcysteine","Piperitone","4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI","Malic acid","Inositol","1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine","12-HETE","10-Undecen-2-one","1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine","Bis(2-ethylhexyl) adipate","Fenthion","Clopidol","Traumatin","LPE(17:0_0:0)","Pyruvic Acid","Poloxamer-188","1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphate","Phe-Phe","PE-NMe2(24:1_16:1)","2,5-Dimethyl-4-ethoxy-3(2H)-furanone","Jervine","Deazaflavin","Normetanephrine","S-Ethyl dipropylthiocarbamate","1,3-Dicyclohexylurea","Galacturonic Acid","Leucocyanidin","5-Hydroxypyrrole-2-carboxylic acid","Flunarizine","Ribavirin","Taurodeoxycholic acid","Propargyl alcohol","17¦Â-Estradiol","PS(20:1_24:0)","Thonzylamine","9,10-Epoxystearic acid","PE-NMe2(22:2_22:2)","2-Aminobenzoic acid","L-Arabinitol 5-phosphate","Pyrrolidine","Chrysophanol","(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide","Diallyl sulfide","Benzoyl chloride","4-O-Methylpinosylvic acid","Bergapten","4-Hydroxy-2-oxoglutaric acid","Carnitine-2-methyl-C4","Tartaric acid","Deoxycholic acid","FAA(18:1)","1,2-Anthracenediol","3b-Hydroxy-5-cholenoic acid","S-Lactoylglutathione","MG(18:0_0:0_0:0)","Taurochenodeoxycholate-7-sulfate","2,3-Dihydro-5-methyl-3-thiophenethiol","1-(betD-Ribofuranosyl)-1,4-dihydronicotinamide","(1R,2R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene","20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid","9,10-DHOME","Phenylacetylglutamine","3-Hydroxy-3-carboxymethyl-adipic acid","Guanosine-5'-triphosphate","LPA(19:0_0:0)","Butyric acid","(2R,13R,14S,15S,17S)-17-hydroxy-2,13,14,15-tetramethyl-14-propanoyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec3,6-dien-5-one","PS(22:2_15:0)","2-Butyne-1,4-diol","2-Nitroimidazole","PI(18:0_20:4)","3-Methylcrotonyl Glycine","Ethyl docosahexaenoate","Cis-8,11,14,17-Eicosatetraenoic acid","1,2-Dilinoleoyl-SN-glycero-3-phosphocholine","Phenanthrene","1-Stearoyl-2-linoleoyl-sn-glycerol","8-Hydroxy-2'-deoxyguanosine","Fluridone","Nipecotic acid","1-Octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)","2,3-Dinor-TXB2","Thiosulfate ion","Citrulline","Chloranocryl","N-Acetyl-alphD-galactosamine 1-phosphate","1,5-Naphthalenediamine","[(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate","Flavin mononucleotide","Thioanisole","Cervonyl carnitine","1-Oleoylglycerophosphoserine","Gln-Arg","1-Methylpyrrole","Methyl dihydrogen phosphate","Tanabalin","Phenethyl isothiocyanate","Picolinamide","3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol","Benzenediazonium","5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid","1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine","3,4-Dihydroxymandelic acid","Dihydroneopterin phosphate","Nagaba","Jasmone","Arginine","9E-heptadecenoic acid","4-Nitrosobiphenyl","9,10-Dihydrokadsurenone","cis-Carane","4-Methylcatechol","Folpet","Pregnanediol","Glutathione","1-Acetylisatin","N-Phenylacetylglycine","2'-Chloroacetanilide","1-16:0-2-18:2-Phosphatidylinositol","3,5-Didecanoylpyridine","5-Hydroxylysine","Alloisoleucine","Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)-","4-Hydroxy-L-threonine","Tetrabenazine","Fexofenadine","Sulfaguanidine","5-(4-Piperidyl)isoxazol-3-ol","Myxalamid S","alphHexylcinnamaldehyde","Isophorone","Lysophosphatidic acid","Proline betaine","Isobutylene","Oleamide","15-Deoxoeucosterol","Chloropyramine","Myxalamid B","Amyl Nitrite","Colfosceril palmitate","Bretylium","N-Acetyl-D-mannosaminolactone","3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodec3,7-diene","1-Benzylimidazole","2'-Deoxyguanosine-5'-diphosphate","LPC(20:1_0:0)","Pristanic acid","Glycochenodeoxycholic acid 7-sulfate","N6,N6,-Dimethyladenosine","Tetraethylammonium","Erucic acid","Glycerophosphoglycerol","Deacetyldiltiazem","5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine","Indoleacetaldehyde","Melicopine","Tyrosyl-Methionine","Fucosterol","Acetoacetic acid","13-Docosenamide","Carnitine C18:4","Carnitine C18:2","Phe-Glu","Betaine aldehyde hydrate","Phthalic acid","1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine","2,3-Diphenylpyrazine","3-Furoic acid","Maleimide","Oxycarboxin","Thiacremonone","4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole","Leucylvaline","3-tert-Butyl-4-hydroxyanisole","Mupirocin","Benzyl alcohol","Helveticoside","1,8-Octanediol","1,3,6-Trihydroxy-8-n-pentylanthraquinone","2-Cyclohexen-1-one","2-Amino-1H-purine-6,8-dione","4-Chloro-o-phenylenediamine","2,4-Quinolinediol","3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide","4-Hydroxyquinoline","Diethyl carbonate","1-(9Z-hexadecenoyl)-glycero-3-phosphate","3-Butyn-1-al","Diethylamine","(1S,13S,18S)-12-[2-(4-hydroxyphenyl)ethyl]-18-methoxy-15-methyl-5,7-diox12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icos2,4(8),9,19-tetraen-14-one","3-Ethylphenyl sulfate","3'-Adenylic acid","Ornithine","2-(Octylthio)ethanol","N-Palmitoyl Taurine","N-Acetylaspartylglutamic acid","Sulfaquinoxaline","Glutamylproline","10-Undecenal","Serine","5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-betD-glucopyranuronosyl-betD-Glucopyranosiduronic acid","RHODANINE","Paramethadione","4-Methylbenzaldehyde","Tricycloekasantalol","threo-3-methyl-L-aspartic acid","Sambutoxin","3-Methylphenylacetic acid","5'-Deoxy-5'-methylthioadenosine","Monomethyl proline","MG(0:0_16:0_0:0)","2-Hydroxyibuprofen","Phe-Thr","Acrolein","Ile-Glu","Monomethyl fumarate","8-Geranylumbelliferone","Glu-Met","O-phospho-L-threonine","5-Formyl-5,6,7,8-tetrahydromethanopterin","Maculosine","Dihydroferulic acid","Acetyl-N-formyl-5-methoxykynurenamine","Cyclopentolate","Isobutylhydroxylamine","Adenosine monophosphate","Allopurinol","Uric acid","2-Hydroxyestradiol","1-Naphthylacetic acid","3-Dehydroshikimate","FFA(16:1)","2-Hydroxycinnamic acid","Pterostilbene","Diisopropyl sulfide","5-Phenylvaleric acid","5-epValiolol 7-phosphate","Arg-Asp","alphCyperone","betTocotrienol","Benzoic acid","Ascorbic acid","CDP-DG(13:0_12:0)","PE(19:1_0:0)","LPC(0:0_16:0)","6-Chloroindole","1,1,1-Trifluoroheptadecan-2-one","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine","Famprofazone","DL-Glyceraldehyde 2-Phosphate","Tetradecanedioic acid","Traumatic acid","Farnesyl acetate","(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide","Erythritol","Triethylene glycol","prostaglandin A2","1-Hydroxymethylnaphthalene","3-Dehydrosphinganine","Biphenyl","methyl (1S,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","15-methyl palmitic acid","PA(16:1_18:4)","Glycidyl oleate","(8S,8'S)-Secoisolariciresinol 9-xyloside","Carnitine C3:0","Glyceryl monostearate","N'-cyclopropyl-7-((4-propan-2-ylphenyl)methyl)pyrrolo(3,2-f)quinazoline-1,3-diamine","5-Fluoro-2'-deoxyuridine-5'-monophosphate","3betMethoxy-androst-5-en-16betol","Hexylresorcinol","2-Ketobutyric acid","PE-NMe2(20:2_15:0)","6-hydro-betNAD","S-methylmethionine","L-cis-3-Amino-2-pyrrolidinecarboxylic acid","PC(20:4_P-16:0)","Dehydroepiandrosterone sulfate","Acetaminophen","Sclareolide","9-hydroperoxyoctadec10,12,15-trienoate","1,3-Propanediol","Tyrosylleucine","Cabergoline","S-Methylglutathione","Succinic anhydride","(3Z,6Z)-3,6-Nonadien-1-ol","SM(d18:1_16:0)","Guanine","4-Hydroxy-3-methoxycinnamaldehyde","Pyrimidine","cis-Dihomoaconitic acid","Butylparaben","Glu-Leu-Arg","Tropate","Dehydrocostus lactone","2-(1-methyl-1H-imidazol-5-yl)acetic acid","Nitrobenzene","2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-","Citicoline","Cys-His","Glu-Val","Xanthosine","3-Methylcyclohexanethiol","Vasicinol","1,2-Dilauroyl-sn-glycerol","2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene","Citric acid","Hexanal butane-2,3-diol acetal","7alpha,17alphDimethyl-5betandrostane-3alpha,17betdiol","Procarbazine","n-Buty2-cyanoacrylate","LPE(14:0_0:0)","(2R)-2-(alphD-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid","Oleic Acid","Nicotinamide-Adenine-Dinucleotide","1-nitrosonaphthalene","Tylactone","PS(22:4_20:2)","Lepidiumterpenyl ester","Tyr-Phe","Glycocholic acid","Zingerone","Naproanilide","5-Methyltetrahydrofolic acid","Nocodazole","Brunfelsamidine","2-Nitronaphthalene","Ibuprofen","Nitroarginine","Acetyl adenylate","Flavin adenine dinucleotide","Orotidine","9,12-Octadecadiynoic Acid","Glutethimide","Guanosine-3'-monophosphate","Warfarin","Decahydro-2-naphthoic acid","5,5-Dimethyl-2(5H)-furanone","Tetrahydrothiophene-2-carboxylic acid","5-Hydroxymaltol","4-Mercapto-2-butanol","Bisphenol A","Dehydroascorbic acid","Coriandrone C","Methylmethionine sulfonium chloride","PA(8:0_10:0)","2-Amino-4-nitrophenol","2-Methyl-1-pyrroline","Ala-Tyr","Monobutyl phthalate","2',5,6-Trimethoxyflavone","1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one","Rapanone","Sulfometuron","Chloroxylenol","Dihydrogeranylgeranyl diphosphate","Petromyzonol","1,1-Dimethoxyheptane","2-Methylheptanoic acid","Linifanib","Adenylosuccinic acid","PS(22:4_20:4)","1-Hydroxy-2-naphthaldehyde","Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester","Pitolisant","L-Prolyl-L-methionine","UDP-D-galactose","(¡À)-2-Methylthiazolidine","Methyl (methylthio)acetate","Allopurinol riboside","1-Phenylpiperazine","Treprostinil","5-Methylhexanoic acid","Aconitate Ion","Acetyl coenzyme A","Diethyl sulfide","Taurolithocholic acid 3-sulfate","4-Carboxypyrazole","8-Desoxygartanin","Fluorouracil","Ethanethioic acid","Benz[a]acridine","betSesquiphellandrene","2-Thiopheneacetonitrile","(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene","PG(18:0_18:1)","Cyclobuxine D","3-Oxopentanoic acid","Cytidine 3'-monophosphate","Amidinoproclavaminic acid","2,8-Dihydroxyquinoline-betD-glucuronide","Moclobemide","2-Hydroxyglutaric acid","Diethyl maleate","Benzyl glycinate","4-(betD-ribofuranosyl)aminobenzene 5'-phosphate","LPC(20:3_0:0)","Mesalazine","Sarcosine","2-Hydroxy-4-(methylthio)butyric acid","7-Deaz7-aminomethyl-guanine","Sorbitol","Taurine","Epothilone D","N-Acetylgalactosamine","1-Propenyl propyl disulfide","PS(22:2_20:4)","Trans-Zeatin","ascopyrone P","Methyl benzoate","N-Glycolyl-Neuraminic acid","4-Chloro-2-methylphenol","gammGlutamylcysteine","2,6-Dimethyl-naphtalene","Ferruginol","4-tert-Butylphenyl salicylate","12(13)Ep-9-KODE","Tabtoxin","Proscillaridin","1,3-Dilaurin","Pentitol","Psicofuranine","Cpa(18:2_0:0)","(10S)-Juvenile hormone III diol","His-Phe","Yuzu-Lactone","Ganoderic acid H","Cetirizine","Acetic anhydride","Veracevine","Ganoderic acid A","Ribonic acid","trans-Vaccenic acid","Hordatine B","3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione","Tetrahydrocurcumin","Perilloside A","1-Mercapto-2-propanone","PA(24:0_14:1)","1,5-Dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)-","Aminoethoxyacetic acid","AICA ribonucleotide","1-Eicosadienoyl-glycerol","2,5-Dimethyl-3-thioisovalerylfuran","TG(12:0_12:0_12:0)","alphTocopherol","betGlycerophosphoric acid","L-Palmitoylcarnitine","2-Hydroxybut-2-enedioic acid","S-adenosylmethionine","Pseudobaptigenin","1,1-Dimethoxynonane","1-Phenyl-1-propanone","Tyr-Trp","cis,cis-Muconic acid","3-Methyleneoxindole","Sulforaphane","Ammelide","3-(N-Nitrosomethylamino)propionitrile","Triethanolamine","Dimethyl fukiic acid","7-Methylhypoxanthine","Acetyltaurine","4-Trimethylammoniobutanoate","2-Amino-1-phenylethanol","4-hydroxy-5-methyl-2-methylene-3(2H)-furanone","FFA(12:1)","Rasagiline","3,6-Nonadien-1-ol, acetate, (3E,6Z)-","2-Hydroxy-6-Aminopurine","Furazolidone","Leukotriene B4","phosphoribosyl-AMP","n-Oleoylethanolamine","2-Oxo-6-methylthiohexanoic acid","Asn-Trp","6-Benzylthioguanine","2-Hydroxyhexadecanoic acid","Labd-14-ene, 8,13-epoxy-, (13S)-","L-Cysteinesulfinic acid","Uracil","N-oleoylglycine","Isohomovanillic acid","Tryptamine","1-Butylamine","1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine","PE-NMe(22:1_22:5)","Alanylarginine","3-methyl-3H-imidazo[4,5-f]quinolin-2-amine","Morphine","Ostruthin","Sphingosine 1-phosphate","Inosinic acid","3-Phenylpropanal","Ropinirole","Nimustine","2-Nitrotoluene","9-Oxo-nonanoic acid","Behenic acid","Cytosine","Dihydrojasmonic acid","2-Picoline","5-Methoxy-3-hydroxyanthranilate","Aminoguanidine","methyl lucidenate F","Buf20,22-dienolide","12-Ketolithocholic acid","LPA(20:3_0:0)","Simazine","Triflumizole","4-acetylbenzo[d]oxazol-2(3H)-one","3-Bromotyrosine","Lysylproline","1-Amino-2,4-dibromoanthraquinone","prostaglandin D2","6-Methylthiopurine 5'-monophosphate ribonucleotide","Paraxanthine","Acetic acid","1,4-Dimethyl-7-ethylazulene","Adrenic acid","4-Dodecylbenzenesulfonic acid","p-Toluenesulfonic acid","Isotabtoxin","Acrylic acid","Carnitine C8:1","Trimethyl sulfonium","4-Hydroxy-9-fluorenone","Halofenozide","Leucine enkephalin","3-Aminoisobutanoic acid","TG(16:0_8:0_8:0)","2-Propanoylthiazole","Chromocarb","L-Asparagine, N-[2-(acetylamino)-2-deoxy-betD-glucopyranosyl]-","1-Cyano-2-hydroxy-3-butene","Tiaprofenic acid","Apigenin 7-glucuronide","1-Phenylethanol","Prostaglandin F2¦Á","His-Trp","2-Methyl-3-hydroxybutyric acid","all-trans-13,14-Dihydroretinol","phenylalanine","6-Methyl-5-hepten-2-one","5alphAndrostane","Threonic acid","1H-Indol-2-amine","5-Oxoavermectin''2a'' aglycone","3-Aminobenzamide","prostaglandin B2","4-(Methylthio)butyl thiocyanate","Heptadecanoic acid","Squamocin L","6,11-Dihydro[1]benzothiopyrano[4,3-b]indole","Arabinosylhypoxanthine","LPE(18:0_0:0)","4'-Hydroxy-5,6,7-trimethoxyflavone","Dimethylglycine","Pro-Trp","Glutamine","4-Hydroxyindole","Terpendole E","Aminoacetone","5-Amino-6-ribitylamino uracil","1-Methylinosine","Corchorifatty acid F","9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate","1,2-Epoxybutane","Phenylacetic acid","3-Methylbenzyl alcohol","Palmitic acid","alphAmylcinnamyl alcohol","2-Methylbenzyl alcohol","Histidine","16-Hydroxyhexadecanoic acid","17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3betol acetate","Voriconazole","Pipertipine","Ser-Phe","Bumetanide","Leu-Gly-Pro","2'-Deoxyguanosine-5'-triphosphate","Carbamoylcholine","Micronomicin","Mitomycin","Benzenebutanoic acid","Propionic acid","Acetylisoniazid","Deanol","Cyclohexyl isocyanide","(2S)-2-ammonio-3-[(carbamoylamino)oxy]propanoate","Pergolide","Dilaurylphosphatidylcholine","Nalidixic acid","Glycerophospho-N-Arachidonoyl Ethanolamine","2,4,4,7-Tetramethylno,8-dien-3-one oxime","PC(18:1_22:1)","Formononetin","Norfenefrine","1,2-Dinitroglycerin","N(2')-acetylgentamycin C1a","Ergothioneine","1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate","Monocrotophos","Quinoline-4-carboxylic acid","Acetyl-maltose","Cybutryne","2',3'-Dideoxyinosine","Indoleacetic acid","Tranexamic acid","2-hydroxypent2,4-dienoate","Dihydrocarvyl acetate","1-(1-Pyrrolidinyl)-2-butanone","N-Acetylhistidine","1,2-Dithiolane-4-carboxylic acid, 1-oxide","Aristolodione","Tryptophan","Mannitol 1-phosphate","Xanthine","betD-Glucopyranoside, (3beta)-solanid-5-en-3-yl","PA(20:4_20:4)","Uridine diphosphate glucuronic acid","7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin","1-Stearoylglycerophosphoserine","alphMethyltryptamine","Cibaric acid","Trp-Pro","Pro-Tyr","Isoxsuprine","Aldosterone","Oleyl alcohol","FFA(19:1)","O-Desmethyl Mycophenolic Acid","Carnitine C14:0","4-Amino-3-hydroxybutyrate","His-Cys","Thiazafluron","Maleic acid","Carnitine C14:2","Carnitine C14:1","gammTocotrienol","Hydriodic acid","Michler's ketone","Carvone","7-Methylxanthine","Isobutyrylglycine","o-Tyrosine","Indoxyl sulfate","2-Pentanone, 4-methy4-(methylthio)-","3-Hydroxypalmitoylcarnitine","1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one","4,5-Dihydro-2-methylthiazole","9,10,13-Trihydroxy-11-octadecenoic acid","Undecanedioic acid","Actinamine","Irbesartan","2-Hydroxy-2-methylbutyric acid","Ser-Leu","Bornyl acetate","4-Butyl-gammbutyrolactone","(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodec2,6,8,10-tetraenamide","S-Methyl benzenecarbothioate","FFA(20:1)","Isonicotinamide","4'-Phosphopantetheine","N-Formyl-norleucyl-leucyl-phenylalanyl-methylester","Epigallocatechin","L-Name","PS(18:1_20:4)","LPC(16:0_0:0)","Methylconiine","Isolithocholic acid","3,4-Dihydroxyhydrocinnamic acid","Dehydrophytosphingosine (not validated, isomer of 1677)","1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate","LPI(18:1)","4-Hydroxyphenylpyruvic acid","p-Cresol","Vaporole","1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine","Camalexin","gammUndecalactone","N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide","Valproic Acid","Piperidine","(2S,3S)-2-amino-3-phenylbutanoic acid","Dimethyl dicarbonate","Ser-Trp","Cytidine-5'-diphosphate","9-Hydroxy-10,12,15-octadecatrienoic acid","Americanol A","LPC(0:0_20:3)","Sedoheptulose 7-phosphate","Lithospermoside","Phosphocholine","Demanyl phosphate","Muricatacin","Xylitol","Thiobenzamide S,S-dioxide","Penicillenic acid","7-Amino-4-methylcoumarin","Pregnanetriol","(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylpropanoate","Methylmalonic Acid","Eutypine","Avocadyne 4-acetate","5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol","Val-trp","2,3-Dimercapto-1-propanol tributyrate","3-Isopropylmalic acid","L-thyronine","(E)-indol-3-ylacetaldoxime","N-Isovaleroylglycine","8-Cyclopentyl-1,3-dipropylxanthine","Riboflavin","L-Octanoylcarnitine","4-Chlorochalcone","3,3-Dimethylglutaric acid","2-Hydroxy-3-Methylbutanoic Acid","[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid","(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne","Lenthionine","(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne","Sabinene","Quinoline","Heptanoic acid","Benzydamine","Taccagenin","8,11-Eicosadienoic acid","4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol","Mebhydrolin","trans-Stilbene","3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide","Phenol","Uridine-5'-monophosphate","5betCholanic acid","2-((3-Aminopropyl)amino)ethanethiol","1-Methyl-4-nitroimidazole","N-acetyl-alphD-glucosamine 1-phosphate","4-Hydroxy-2-methylquinoline","b-D-fructosyD-(6-O-(E))-feruloylglucoside","PE-NMe2(20:2_22:5)","Isoambrettolide","Thiazole","1-deoxy-D-xylulose 5-phosphate","Tetramethylammonium","5-Hydroxyindoleacetic acid","PS(20:3_22:5)","Glucosamine","5-Aminoimidazole ribonucleotide","trans-10-Octadecenoic acid","Glycine","1,2,4-Tris(methylene)cyclohexane","5-Acetyl-2,4-dimethylthiazole","3-Ethylphenol","Methanesulfonic Acid","Glu-Arg","Glutaric acid","LPA(20:2_0:0)","Benzyl methyl sulfide","PA(15:0_14:1)","2'-O-Methyladenosine","p-hydroxymexiletine","2-Propylphenol","Propafenone","Turgorin","Geraniol","LPE(0:0_18:2)","LPC(20:5_0:0)","[(2R)-2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphonic acid","Calotropin","Raphanusamic acid","S-methyl D-thioglycerate","Methylcysteine","N-Acetylvanilalanine","LPC(16:1_0:0)","4-Hydroxybenzeneacetonitrile","Validamine 7-phosphate","4-Ethyl-2-methoxyphenol","4-Amino-6-chloro-1,3-benzenedisulfonamide","Tetramethylammonium chloride","trans-1,4-Dichloro-2-butene","4-Pyridoxic acid","LPC(18:3_0:0)","[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (Z)-docos-13-enoate","(1S,5R,9R)-5-hydroxy-10,10-dimethy6-methylidenebicyclo[7.2.0]undecan-2-one","20-HETE ethanolamide","4-Isopropylphenylacetaldehyde","3-Hydroxybutane-1,2,3-tricarboxylic acid","Prostaglandin F3alpha","7-Mercaptoheptanoylthreonine","Crotonoside","Deoxycholic acid glycine conjugate","GammMercholic Acid","Cytochalasin B","1,3,7-Trimethyluric acid","Glu-Ala","2-Amino-3-prop-2-enylsulfinylpropanoic acid","Gentioflavine","Glyceric acid","Phenkapton","¦Á-Ketoglutaric Acid","1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine","Knipholone","Biliverdin","Polyporusterone A","Valeraldehyde dibutyl acetal","Oxacyclohexadecan-2-one","Alanylphenylalanine","2-Aminoisobutyric acid","2-Indolecarboxylic acid","Cytochalasin a","Homocitric acid","Hecogenin","Triphosphoric acid","Bibenzyl","Maculosin","(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoate","Sulfamethazine","Sorafenib","Pyrophosphate","Flonicamid","Uridine","D-Mannosamine","L-Homocysteic acid","Nicotinamide mononucleotide","2,6-Dimethylphenol","(2S)-4-[(E)-2-[[(1S)-4-amino-1-carboxy-4-oxo-butyl]amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid","Hydroxyprogesterone caproate","Tetrahydrofurfuryl acetate","5-Methyl-2-furancarboxaldehyde","Sterculic acid","Proline","Farnesyl triphosphate","6-Hydroxy-fad","Benzoyl phosphate","1-Methylphenanthrene","Phenethylamine","Triacetin","Bis(2-chloro-1-methylethyl) ether","2-Methylnaphthalene","Donepezil","Pyroquilon","Aspartic acid","Diethanolamine","Emetine","2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-","Hydroxyisoleucine","Acenaphthene","LysoPC 18:1","Probenecid","(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide","Acetimidoquinone","1-Palmitoylglycerone 3-phosphate","2-Hydroxy-3-(sulfooxy)benzoic acid","7alpha,25-Dihydroxycholesterol","4-Acetyl-2-methylpyridine","PS(22:0_20:0)","10-Undecen-1-yl acetate","Fumaric acid","4,4'-Biphenyldithiol","Dihydroconiferyl alcohol","Sulfamonomethoxine","1-Naphthylamine","(2R,3S)-3,3',5-Trihydroxy-4',7-dimethoxyflavanone","2-Octadecanoyl-sn-glycero-3-phosphocholine","1,2,3,5-Tetrahydroxybenzene","Olaquindox","Fomepizole","2-Dodecenal",",,O-Tridemethylpuromycin-5'-phosphate","2-Hydroxymethylclavam","2'-Deoxyguanosine 5'-monophosphate","psPelletierine","2-O,3-dimethylflaviolin","2-Methyl-1,3-cyclohexadiene","PC(18:1(9Z)e/2:0)","Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)-","N-Jasmonoylisoleucine","Pterin-6-carboxylic acid","Avocadene 1-acetate","Diphenoxylate","Spermidine","4-Hydroxy-5-methylfuran-3(2H)-one","Condurangogenin A","Taurocholic acid","Lupinisoflavone A","2-Amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid","2-Methylcyclohexanone","Roflumilast","Avocadyne 1-acetate","1-(1-Propenylthio)propyl propyl disulfide","3-Indolebutyric acid","N-(2-Furoyl)glycine","1-O-Hexadecyl-2-acetyl-sn-glycerol","1,2-d[-eicosenoyl]-sn-glycero-3-phosphocholine","Ureidoisobutyric Acid","Caffeyl alcohol","1,2-Dioleoyl-sn-glycerol","1,6,7-Trimethylnaphthalene","2,4-Dichlorobenzoic acid","Suberic acid","S-Acetylphosphopantetheine","5-Hydroxyindoleacetaldehyde","4-Nitrophenol","O-Toluidine","Hydroxyacetone","Conchosin B","Methyloxaloacetate","Compactin diol lactone","Alprenolol","2-Hydroxypyridine","Creatinine","3-Aminobutanoic acid","Didox","Tyr-Lys","Acetyl-L-carnitine","[1-(5-Phosphoribosyl)imidazol-4-yl]acetic acid","Pyridoxine","2,4-Diphenyl-1-butene","2,2-Dimethylsuccinic acid","11'-Carboxy-alphchromanol","rac-4-Hydroxy-4-O-(betD-glucuronide)-all-trans-retinyl acetate","Glycolithocholic acid","N,N-Dimethylformamide","N-Acetylleucine","Leu-Trp","(S)-2-amino-6-oxopimelic acid","Oglufanide","2-Hept-6-enyl-3-pent2,4-diynyloxirane","LPA(22:4_0:0)","Hexaethylene glycol","N-ethylmaleimide","Heliotridine","Ursocholyltaurine","Deoxycholic acid 3-glucuronide","FAPy-adenine","Pregnenolone acetate","Palmitic amide","Pro-Lys","5,8,11-Eicosatrienoic acid","Bilirubin","Pregabalin","Indanofan","Methylparaben","10,20-Dihydroxyeicosanoic acid","Sodium malate","Leu-Leu","12-Hydroxyheptadecatrienoic acid","Sulfoacetaldehyde","Bruceine B","Luminol","LPE(0:0_18:0)","2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one","8-Hydroxyadenine","2-Methoxy-5-nitroaniline","LPC(18:2_0:0)","CDP-ethanolamine","Jasmonic acid","Norethindrone acetate","isopentenyl adenosine","3,5-Dtert-butyl-4-hydroxybenzyl alcohol","Ptca","1-Aminocyclopropane-1-carboxylic acid","Pisumionoside","Homophenylalanine","D-Fructose-6-phosphate","24,25-Diacetylvulgaroside","gammGlutamylglutamate","Benzyl cinnamate","Corotoxigenin-3-o-alphL-rhamnopyranoside","5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol","4-Hydroxyphenylglycine","4-Methylbenzenecarbothioamide","Crotanecine","Hexanolamino PAF C-16","(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7tetrahydrocyclopenta[c]pyran-4-carboxylic acid","Shogaol","Pyridostigmine","2-Aminoadipic acid","Bupirimate","Cys-Gly","Montanin","Stearoylglycerone phosphate","2,4,6-Trimethoxyphenyl acetate","Eugenol","Dodecanoic acid","Sulfanilic acid","Stealthin C","Sphinganine","PAz-PC","4-Amino-7-chloroquinoline","1,6-Dimethylnaphthalene","5-Oxo-4,5-dihydro-2-furylacetic acid","1D-myo-inositol 2-acetamido-2-deoxy-alphD-glucopyranoside 3-phosphate(2-)","Pandamine","PS(16:1_22:2)","2-Phenylpropanal","Artemisyl propionate","Metoprolol","[(3R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate","Glycochenodeoxycholic acid","Magnesium ascorbyl phosphate","(¡À)-2-Methyl-3-(4-methylphenyl)propanal","Cyanophos","PS(22:6_20:0)","Butylated hydroxytoluene","PS(16:0_22:4)","Sulfate","Progesterone","3-(Chloromethyl)pyridine","Dichlorprop","Isonicotinic acid","1,4-Cyclohexanedione","TG(8:0_8:0_15:0)","D-Fructose","Embelin","(E)-1-Propenyl sec-butyl disulfide","Atrovent Hfa","Syringin","2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate","alphD-Glucose 1,6-bisphosphate","Bay-41-8543","MG(22:0_0:0_0:0)","5-Hydroxyvalproic acid","Glyc-Pro","Kynurenic acid","2-(2-Thienyl)furan","3-Indoleacrylic acid","alphTerpineol acetate","Delcorine","Lisinopril","Purine, 2-amino-1,6-dihydro-7-methyl-6-oxo-9-betD-ribofuranosyl-","PC(16:0_2:0)","L-Urobilin","2'-Deoxyinosine","Methionine","dTDP-acarviose-7-phosphate","N-lactoyl-phenylalanine","[(2R)-2-octanoyloxy-3-phosphonooxypropyl] decanoate","Tyrosol","(R)C(R)S-S-Propylcysteine sulfoxide","Flindersine","Ethyl vanillin","3-Methyl-1-butylamine","Met-Met","Undecanoylcholine","Ramifenazone","Hypoglycin","m-Toluic acid","Sirolimus","Celastrol","Cyclohexaneundecanoic acid","Rhapontigenin","Carnosine","Austalide C","11-Hydroxycanthin-6-one","3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","Butenoyl-PAF","5,6,7,8-Tetrahydropterin-6-carboxylic acid","Glycolic acid","Faropenem sodium","Glu-glu","1-Palmitoyl-2-glutaryl-sn-glycero-3-phosphocholine","Niacinamide","Salsolinol","p-Coumaraldehyde","(+)-2,3-Dihydro-3-methyl-1H-pyrrole","Kojic acid","Securinine","Nabumetone","5-Hydroxymethyl-2-furancarboxaldehyde","Indole-3-propionic acid","N-Acetylmannosamine","Heterodendrin","4-Hydroxy-3-methoxybenzenemethanol","PS(20:4_22:5)","Prolylarginine","Tetrasul","Carnitine C9:0","Cannabidiolic acid","Gossypol","Adenosine-3'-5'-diphosphate","Phytosphingosine","Bisnorcholic acid","Methacholine","tetraHCA","2-Acetylpyrazine","Oxacyclododecan-2-one","Dimethyl 2-(3-oxocyclohexyl)propanedioate","6-Ketomyristic acid","Valerenic acid","Etiocholanolone glucuronide","5-betD-Ribofuranosylpicolinamide adenine-dinucleotide","N-Acetyl-Neuraminic Acid","2'-Deoxyuridine 5'-monophosphate","Ergocalciferol","5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid","12-Methyltridecanoic acid","5-(Methylthio)-2,3-dioxopentyl phosphate","Coumarin","1-Piperideine","Ceanothine B","Spermine","Sepiapterin","Succinic acid","Cis-Zeatin","3,4,5-Trimethoxyphenol","Pglcua","N,N-Dimethyl-5-methoxytryptamine","Psilocybine","Sarcodon scabrosus Depsipeptide","Methimazole","Hippuric acid","1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid","Benzothiazole","3E,5E,11E-Tridec1,3,5,11-tetraene-7,9-diyne","2-Arachidonoylglycerol","Butylate","PE-NMe2(15:0_18:3)","Docosahexaenoyl Ethanolamide","Gly-Val-Tyr","(1S,2R,6S,7R,9R,11S,12S,14S,15R,16S)-15-[(1R)-1-[(2R,4S)-4,5-dimethy6-oxooxan-2-yl]-1-hydroxyethyl]-6,14-dihydroxy-2,16-dimethy8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one","6-deoxy-6-sulfo-D-fructofuranose 1-phosphate","UDP-beta-L-threo-pentopyranos-4-ulose","5-Hydroxyindole","5-Methyluridine","1,2-Dioleoyl-sn-glycero-3-phosphate","N-Nitrososarcosine","Ethyl tetradecanoate","Methyl 2E,4Z-hexadecadienoate","Tropine","Captopril","Citraconic Acid","Linuron","(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine","N-[(7,8-dihydropterin-6-yl)methyl]-4-(betD-ribofuranosyl)aniline 5'-phosphate","2,2-Dihydroperoxypropane","2-Chloro-1,1,1-trifluoroethane","Leucyalanine","Glu-Ile","8-Chloroxanthine","L-Propargylglycine","3-Methylhippuric acid","DL-Homocysteine thiolactone","Genistein 4'-O-glucuronide","Enalaprilat","Inosine","Isoxazolin-5-one","2-Methylsuccinic Acid","Homocysteine","BetMercaptoethanol","Lumichrome","3-Ep3-hydroxymugineic acid","2-Pyrrolidinone","Dimethyl oxalate","Dibutyl disulfide","Phosphoguanidinoacetate","Dioleoyl phosphatidylserine","Primaquine","S-adenosyl-L-homocysteine","3,4-Dimethylbenzoic acid","4-Furfurylthio-2-pentanone","Elaidic carnitine","Ala-Gly","Firefly luciferin","6-Decylubiquinol","Benzoylecgonine","Lys-Gly","Ile-Phe","1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine","Anserine","N-Methyl-L-histidine","Tetranor-12(S)-hete","Gentian violet cation","Caffeine","Aethusin","Paraldehyde","Pyridine-3,4-dicarboxylic acid","Quinaldine","2-Methyl-1-propylamine","3-Epiecdysone","8-Chloro-2-dibenzofuranol","Debrisoquine","alphHydroxyisobutyric acid","2-Aminoethyl dihydrogen phosphate","Allyl thiocyanate","Grewinol","Sebacic acid","Phosphoric Acid","1,3-Diolein","Naphthalene","4-Methylbiphenyl","Glycidol","Dihydrouracil","11E-Octadecenylcarnitine","2-Hydroxystearic acid","(2E,6Z)-Non2,6-dienyl acetate","Cys-Phe","Dicamba","N-Formyl-L-aspartic acid","Cyclovirobuxine C","Cys-Trp","Orotidylic acid","2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol","Cytochalasin Npho","2-[[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetic acid","N-methyl-L-glutamic Acid","1,2-Diacylglycerol-LD-Ppool","2-Keto-3,6-dideoxy-6-sulfogluconate","2-Phenoxyethanol","2-Aminobenzimidazole","17alphEstradiol","ar-Turmerone","Coenzyme A","Carnitine C17:0","S-Glutathionyl-L-cysteine","Cyclocreatine","(E)-betDamascone","Filfiline","Betaine aldehyde","Dipivefrin","Isopalmitic acid","Asp-Ile","1-Hexadecyl-sn-glycerol 3-phosphate","Palmitoleoyl Ethanolamide","Coriolic acid","Tyrosyl-prolyl-tryptophyl-threonine","Dodecanedioic acid","7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one","Methanimidamide, N'-(1,6-dihydro-6-oxo-2-pyridinyl)-N,N-dipropyl-","Ginsenoside F1","4-Hydroxy-3-(sulfooxy)benzoic acid","Adenosine cyclic phosphate","4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside","N-acetylsphingosine","ADP-ribose","3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one","alphGlutamylaspartic acid","Gingerol","Quinic acid","(2E)-Decenoyl-ACP","2-Hydroxybutanoic Acid","1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol","Acetylcholine","2-Linoleoylglycerol","2-Acetamido-2-Deoxy-D-Mannopyranose","(-)-Norephedrine","9-nitro-9E-octadecenoic acid","Aspidoalbine","Carnitine C18:3-OH","Thymidine","(Z)-1,3-Octadiene","1-Oleoylglycerone 3-phosphate","Methylpyrazine","Maculine","Pantetheine","Indole-3-acetamide","Tiglylglycine","Furmecyclox","Gluconic Acid","Abscisic acid","PA(8:0_15:0)","3-Phosphoglyceric acid","Miconazole","alphGlyceryl linoleate","2-Methoxynaphthalene","N,N-dimethylsphingosine","3alphHydroxy-5betpregnane-20-one sulfate","LPC(20:2_0:0)","[(2R)-1-(10-methylundecanoyloxy)-3-phosphonooxypropan-2-yl] 12-methyltetradecanoate","4-Hydroxybenzenesulfonic acid","Benzaldehyde","2-Pyridineacetic acid","Mandelic acid","dTDP-galactose","Nepetalactone trans-cis-form","PS(16:0_18:1)","Histamine","5Androstane-3alpha,17betdiol","Damgo","(6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione","Limonene","Oxypurinol","5'-Deoxyadenosine","N-Methyl-D-aspartic acid","4,5-Dihydroxynaphthalene-2,7-disulfonic acid","Methionine sulfoxide","Guanosine-5'-diphosphate","5-amino-1H-imidazole-4-carboxylic acid","Docos4,7,10,13,16-pentaenoyl carnitine","Hydrobenzoin","4-Hydroxyoct-1-enoylglycine","Gluconapin","Azelaic acid","1-Methoxy-2-methylbenzene","N,N-Diphenyl-p-phenylenediamine","2-Amino-2-methyl-1,3-propanediol","2,3-Butanediol","1,3-Dimethyluracil","3-Isobutyl-1-methylxanthine","1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine","Epinephrine","4-Chloro-L-phenylalanine","3-Sulfocatechol","Loganic acid","(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone","Toluene","Tolterodine","(5-Oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid","Phosphocreatine","Glucaro-1,4-lactone","Hydroxytyrosol","Hydrocortisone cypionate","Deoxycytidine","2-Methylpropyl 3-hydroxy-2-methylidenebutanoate","Isatin","Ac-Ser-Asp-Lys-Pro","Norvaline","Leu-Gly","Daidzein","cis-7-Hexadecenoic Acid methyl ester","Phrymarolin I"],"additional_accession":[]},"is_claimable":false,"name":"Metabolomic profiling of jejunal samples from ETEC-challenged yak calves supplemented with Pediococcus pentosaceus NQ0729","description":"This study generated metabolomic data to investigate metabolic changes in yak calves following enterotoxigenic Escherichia coli (ETEC) challenge and Pediococcus pentosaceus NQ0729 supplementation. Yak calves were divided into three groups: a control group (CON), an ETEC-challenged group (ETEC), and a P. pentosaceus NQ0729-pretreated group followed by ETEC challenge (PET). Jejunal samples were collected after the animal trial and analyzed using liquid chromatography-tandem mass spectrometry (LC-MS/MS). The dataset was used to compare metabolic profiles among the three groups and to identify metabolites and metabolic pathways associated with ETEC challenge and probiotic intervention in yak calves.
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