which was developed using R and based on XCMS, for feature detection, extraction, alignment, and integration. The R package and the BiotreeDB(V3.0) were applied in metabolite identification.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["For polar metabolites, LC-MS/MS analyses were performed using an UHPLC system (Vanquish, Thermo Fisher Scientific) with a Waters ACQUITY UPLC BEH Amide (2.1 mm × 50 mm, 1.7 μm) coupled to Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase consisted of (A) water containing 25 mmol/L ammonium acetate and 25 mmol/L ammonium hydroxide (pH 9.75) and (B) acetonitrile. The auto-sampler temperature was 4 ℃, and the injection volume was 2 μL.
"],"publication":["Mechanisms of Etomidate Addiction and Neuro-Hepatic Toxicity: Molecular Pathway Analysis Based on Multi-Omics Integration."],"submitter_name":["gaolin zheng"],"submitter_affiliation":["Hainan Medical University"],"organism_part":["Cerebral tissue"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Brain and liver tissues were processed identically. Briefly, 25 mg tissue was extracted with 500 μL methanol:acetonitrile:water (2:2:1, v/v/v) containing isotope-labeled internal standards, vortexed for 30 s, homogenized at 35 Hz for 4 min, sonicated in an ice-water bath for 5 min × 3, and incubated at −40 °C for 1 h before filtration.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15525"],"author":["gaolin zheng. Hainan Medical University. zhenggaolin0602@gmail.com."],"data_transformation_protocol":["The raw data were converted to the mzXML format using ProteoWizard and processed with an in-house program.
"],"study_factor":["Group"],"submitter_email":["zhenggaolin0602@gmail.com"],"sample_collection_protocol":["Cerebral tissue (after removal of the cerebellum and olfactory bulbs) and right hepatic lobe tissue were collected from five experimental groups, with five biological replicates per group for each tissue type (25 cerebral-tissue samples and 25 right-hepatic-lobe samples). Samples were immediately snap-frozen in liquid nitrogen and stored at −80 °C until metabolomic analysis.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","pooled quality control sample","Metabolomics","ProteoWizard msconvert","Mus musculus","Cerebral tissue","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Etomidate Addiction","Neuro-Hepatic Toxicity","experimental sample","untargeted metabolite profiling"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","pooled quality control sample","Metabolomics","ProteoWizard msconvert","Mus musculus","Cerebral tissue","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Etomidate Addiction","Neuro-Hepatic Toxicity","experimental sample","untargeted metabolite profiling"],"mass_spectrometry_protocol":["The Orbitrap Exploris 120 mass spectrometer was used for its ability to acquire MS/MS spectra on information-dependent acquisition (IDA) mode in the control of the acquisition software (Xcalibur, Thermo). In this mode, the acquisition software continuously evaluates the full scan MS spectrum. The ESI source conditions were set as following:sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb, capillary temperature 320 ℃, full MS resolution as 60000, MS/MS resolution as 15000, collision energy: SNCE 20/30/40, spray voltage as 3.8 kV (positive) or -3.4 kV (negative), respectively.
"],"metabolite_name":["Hydroxyebastine","Trapidil","Dambonitol","Gentamicin","3,7,3',4',5'-Pentamethoxyflavone","Malonyl-L-carnitine","Phe-Ile","Edpetiline","Ciprofibrate","Tetradecadienoylcarnitine (Car(14:2))","Ectoine","Goralatide (acetate)","Pantothenol","Ergonovine","1,4-Dibutyl benzene-1,4-dicarboxylate","(2E,4E,6E)-11-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,6-trienamide","Timolol","Nipecotic acid","Lutein","1-Methyl-3-isobutylxanthine","Citrulline","1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholine","7-Chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one","Oxotetradecenoylcarnitine (Car(14:2-O))","(2-Bromoethyl)(triphenyl)phosphonium cation","PC(33:1)","LysoPC(24:1(15Z))","1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-(3-chlorophenyl)-1-methyl-","Diuron-desdimethyl","2-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid","Cyclopropanecarboxamide, N-[3-(2-methoxyethyl)-4,5-dimethyl-2(3H)-thiazolylidene]-2,2,3,3-tetramethyl-, [N(Z)]-","2,4,6-Trimethoxypyrimidine","N-(4-Nitrophenyl)-2-phenoxyacetamide","Norgestimate","5Z,8Z,11Z,14Z-Eicosatetraenoic acid, 3-theinylmethyl ester","5-Bromo-5'-hexyl-2,2'-bithiophene","Gamma-glutamyl-Glutamine","Arginine","Isorhamnetin_3-O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside]","5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione","Glutathione","2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol","LysoPC(18:4(6Z,9Z,12Z,15Z))","Threoninyl-Hydroxyproline","N-Formyl-L-glutamate","PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","6,7-Dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine","Oxopalmitoylcarnitine (Car(16:1-O))","Clausenin","Isodesmosine","2-Hydroxy-4-(octyloxyl)benzophenone","4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone","Piperolein_B","Oleamide","Methylergonovine","Pro-Glu","Kainic acid","N-Methyl-L-proline","Moxonidine","N-(Deshydroxyethyl)dasatinib","Nicotinamide riboside (NR)","Hygric acid","Cervonyl_carnitine","7H-Benzo[de]anthracen-7-one","2',7-Dihydroxy-4'-methoxy-8-prenylflavan","1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0))","Trigofoenoside_A","Drostanolone propionate","Xanthurenic acid","N-(2-Propynyl)cyclohexanamine","Etomidate","1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine","Succinyladenosine","2-Oleoyl-1-stearoyl-sn-glycero-3-phosphoserine","Cyclocytidine","Octaethylene glycol","1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine","Torvoside_A","Hexadecadienoylcarnitine (Car(16:2))","L-Glycine ether ester","4(5H)-Thiazolone, 5-(6-quinolinylmethylene)-2-[(2-thienylmethyl)amino]-, (5Z)-","N-Methylpropionamide","12'-Apo-b-carotene-3,12'-diol","Methylguanidine","2-Docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","2-(5-Oxovaleryl)phosphatidylcholine","4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)1H-imidazol-2-yl]benzamide","Biotin-XX hydrazide","Ornithine","1-Phenylpyrrolidine","Allocryptopine","MLS000859943-01!","PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","LPE(P-16:0)","PE(19:1)","7-Hydroxy-6-methoxy-3-methyl-5-(propan-2-ylidene)furo[2,3,4-de]chromen-2(5H)-one","Sarcosine ethyl ester","Promethazine sulfoxide","Phe-Thr","2-Chloro-3-chloromethyl-6-fluoroquinoline","Asp-Glu","O-t-Butyl-L-threonine methyl ester","Ethyl ethoxyacetate","3-methylolphenol","2-Phenyl-N-(4-sulfamoylbenzyl)acetamide","Adenosine","PC(16:0/18:1(9Z))","1,7-Dioxa-4,10-diazacyclododecane","3,4-Dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide","3,6,9,12-Tetraoxatetracosan-1-ol","PE(14:1(9Z)/14:0)","Arborinine","Neolinustatin","7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-ylamine","Oligomycin A","PC(31:1)","Arg-Asp","PC(18:0/18:1(9Z))","5-Taurinomethyl-2-thiouridine","Cyclopassifloic_acid_C","Betonicine","Peimine","Hercynine [M]","dTDP-4-acetamido-4,6-dideoxy-D-galactose","Neoacrimarine_E","Pseudoginsenoside RT5","Fragransin_B2","6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl","2-Methyl-5-phenyl-1,3-thiazol-4-ol","PC(16:0/16:0)","Sphingosine","Gamma-glutamyl-Aspartate","Cytidine monophosphate N-acetylneuraminic acid","PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Threonine","4-Imidazolidineheptanoic acid, 3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)-","2-Amino-6-(methylsulfanyl)-3,5-pyridinedicarbonitrile","2,6-Diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile","Lys-Leu","N-Acetyl-arginine","Telmisartan","Phenol, 2-[4-[(3,5-dichlorophenyl)amino]-6-methyl-2-pyrimidinyl]-","1-Ethyl-N4,N5-dimethyl-1H-imidazole-4,5-dicarboxamide","Lysine","5-Dehydroavenasterol","SM(d18:1/17:0)","Linoleoylcarnitine (Car(18:2))","Goyasaponin_III","Curine","4-Amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid","Thymol blue","1-[4-(Trifluoromethoxy)benzyl]piperazine","1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine","Oxopalmitoleylcarnitine (Car(16:2-O))","Lys-Asp","Fenoxaprop-P-ethyl","cis-4-Decenoylcarnitine","Guanine","Prostaglandin I2 (PGI2)","1-Methylnicotinamide","N-Acetyl-S-geranylgeranyl-L-cysteine","4-Chloropyridine-2,6-dicarbohydrazide","PC(38:7)","4',5,7-Trihydroxy 3,3',6,8-tetramethoxyflavone","PC(18:1(9Z)/18:0)","Cytidine 5'-monophosphate (CMP)","2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoethanolamine","Glycerol_1-(9Z-octadecenoate)_2-tetradecanoate_3-phosphate","Myriocin","1-Butylimidazole","7-Methylguanine","2-[(1E)-2-(4-Methoxyphenyl)ethenyl]-4(3H)-quinazolinone","Phenol, 2-[[[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]amino]methyl]-","3-Ureidoisobutyric acid","PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))","Pirimiphos-methyl-N-desethyl","N-(3-Chlorophenyl)-N'-(2-pyridinyl)thiourea","Artemisetin","Aspartylhydroxyproline",".beta.-Glutamic acid","Decenedioylcarnitine (Car(10:1-O2))","Arachidonic sulfonic acid","LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Nadolol","Leucyl-Glutamine","Tyr-Phe","Pipecolic acid","Phe-Val","Glucose 6-phosphate","2-Amino-3-methoxybenzoic acid","3'-Keto-3'-deoxy-AMP","PC(38:5)","5-Acetoacetamido-2-benzimidazolone","Prostaglandin F2.alpha. dimethylamine","Heptanedioic acid, 1-(2-cyclopentylidenehydrazide)","Alisol B acetate","Carnitine","1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one","MES","LPC(16:0)","butoconazole","3-acetyl-NADH","(22E,24R)-Stigmasta-4,22-diene-3,6-dione","3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic_acid","Genistein","6-(2-Pyridinyl)-1,3,5-triazine-2,4-diamine","6-Methoxy-3-nitro-2-pyridinamine","Muscimol","Lanceolatin B","2-(3,4'-Dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)-3-methylbutanoic acid","2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid","(R)-Aminocarnitine","PC(16:1(9Z)/14:0)","Isobutyrylcarnitine (Car(4:0))","N6,N6,N6-Trimethyllysine","N-cis-Octadec-9-enoyl-L-homoserine lactone","PS(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))","Ethyl_beta-D-glucopyranoside","1-Methyladenosine","TOBRAMYCIN","7-Hydroxy-2-acetylaminofluorene","4-Hydroxyisoleucine","Maleic hydrazide","1,2-Dilinolenoyl-sn-glycero-3-phospho-(1'-rac-glycerol)","1-Methylhistamine","Methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate",".alpha.-Chaconine","LPG(18:1(9Z))","Car(18:1)","Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxylate","2-Aminonicotinic acid","O-Phosphoethanolamine","M551T257","Pro-Leu","Amidosulfuron","4-(4-Hydroxy-2-quinazolinyl)benzenesulfonamide","N-Arachidonoyl-L-alanine","LPC(15:0)","Ticagrelor","lysoPC(26:1(5Z))","PC(37:4)","Isorhamnetin_3-O-[a-L-rhamnopyranosyl-(1->3)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside]","Trigonelline","Diclofensine","6-Chloro-7-fluoroisatin","Ganoderic acid H","Fonsecin","N-(2,6-Dimethylphenyl)-N'-phenylthiourea","Docosahexaenoylglycine","PC(18:1(11Z)/15:0)","Salicin","N-.alpha.-(tert-Butoxycarbonyl)-L-lysine","4-Chloro-2,3-difluoroaniline","Isoleucylvaline","Bakers_yeast_extract","1-Methylguanosine","Piericidin C1","Dulxanthone_E","PC(18:1(9Z)/P-16:0)","1-Butyl-3-methyl-1H-imidazol-3-ium cation","4-(4-Amino-3-nitrophenyl)-1(2H)-phthalazinone","PI(18:1(11Z)/16:1(9Z))","Fenfluramine","3,5-Dimethoxy-N-4-pyridinylbenzamide","Meclizine","azosemide","2,4-Thiazolidinedione, 5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-","Pro-Arg","N-Isobutyl-3-methylbutanamide","4-Piperidinamine, 1-(9H-purin-6-yl)-","Tetraethylammonium cation","CAPSAICIN","Hexenedioylcarnitine","Phenylalanine","Sph(d18:2)","Glucoliquiritin apioside","Erythromycylamine","4-(Pentafluorosulfanyl)aniline","Psoralidin","Ser-Arg","1-Cyclobutyl-4-piperidinamine","Pentaethylene glycol","pibutidine","Persicachrome","(E)-2-Cyano-1-(tert-pentyl)guanidine","Quercetin-3-O-galactoside","N-(9-Oxodecyl)acetamide","Tetradecenedioylcarnitine (Car(14:1-O2))","(1-Oxo-2(1H)-phthalazinyl)acetic acid","3,6-Dichloro-N-(pyridin-2-ylmethyl)pyridazine-4-carboxamide","5-Methylisoxazol-3-amine","2-Methylpropanamine","Creatine","M356T254","2-Hydroxy-4,6-dimethylpyrimidine","Debenzoylzucchini_factor_B","PS(16:0/15:0)","(4OH,8Z,t18:1)_sphingosine","Fenthion sulfoxide","guanfacine","PC(22:0/16:1(9Z))","Palmitoleylcarnitine (Car(16:1))","Cytosine","6-Aminonicotinic acid","2-Amino-4,6-dinitrotoluene","2-Acetylthiazole","Laurocapram","3-{2-[(E)-2-(Phenylamino)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl}propane-1-sulfonate","N6-Methyladenosine","1-Benzylpiperazine","N2,N2-Dimethylguanosine","12-Hydroxy-12-octadecanoylcarnitine","N-Cyclohexylbenzenecarbothioamide","(24E)-3-Oxodammara-1,12,24-trien-26-oic acid","N1,N2-Diisobutylethanediamide","N,N-Dimethylarginine (ADMA)","NAE(18:1)","Loracarbef","PS(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))","Pehanorm","Arachidyl_carnitine","PE(P-36:4)","3-Hydroxysintaxanthin","Pimonidazole","Statine","His-Ala","S1P(d18:1)","3-Bromoquinolin-4-amine","Val-Val","PC(35:4)","LPC(18:0/0:0)","7.alpha.-Thiospironolactone","2-Chloro-4-(dimethylamino)-5-fluoropyrimidine","Homocarnosine","PS(20:0/15:0)","[4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone","Ethephon","Glycohyodeoxycholic acid","Isoleucine","Thiomorpholine 3-carboxylate","LysoPC(18:3(6Z,9Z,12Z))","Mantabegron","5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","4-Chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide","LPC(O-18:1)","(5E)-2-Heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one","Trehalose_6-phosphate","Amobarbital","15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0,.0,.0,]icosane-5-carboxylic acid","Arg-Thr","M502T118","Cytidine 5'-diphosphocholine (CDP-choline)","PC(35:5)","1,2-Dimethylimidazole","MOPS","1-Isobutyl-1H-pyrazol-5-ylamine","1-Methyl-4-piperidinecarboxylic acid","5-(2-Fluorophenyl)-2-furaldehyde","Dimethylethanolamine","Thiamine pyrophosphate (TPP)","L-Menthone_1,2-glycerol_ketal","2-(3-Bromophenyl)-1H-benzimidazole","1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea","cis-5-Tetradecenoylcarnitine","Methyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate","N-(4-Methylphenyl)-1-piperidinesulfonamide","3-Dodecyloxypropylamine","2-(Naphthalen-1-yl)-1H-1,3-benzodiazole","Stearamide","N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-thiophenecarboxamide","Palmitoylcarnitine (Car(16:0))","N-(4-Methyl-1,3-thiazol-2-yl)-N-(1-naphthyl)amine","2-{2-[(4-Chlorophenyl)acetyl]hydrazino}-N-isopropyl-2-oxoacetamide","1-alpha-Acevaltrate","4,6'-Anhydrooxysporidinone","Propionylcarnitine (Car(3:0))","N-(2-Naphthyl)-4-nitrobenzamide","2,2,6,6-Tetramethyl-4-piperidinyl 2-methylacrylate","Deoxyadenosine","Octanoylcarnitine (Car(8:0))","PC(35:3)","PA(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))","Erythraddison II","2-Hydroxylauroylcarnitine","4-Isothiocyanatopiazthiole","3-Deazaneplanocin A","3(2H)-Pyridazinone, 4-chloro-5-(4-morpholinyl)-","Koeniginequinone_A","Glycerophosphocholine","Azetidine-2-carboxylic acid","Apo-12'-violaxanthal","Flavin mononucleotide (FMN)","Biphenyl-4-yl-p-tolylmethanone","Tripropylamine","(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid","Chlorophyll_b","N2-Benzyl-1,3,5-triazine-2,4-diamine","2,3-Diphenyl-1H-indole-7-carboxylic acid","PS(20:4(5Z,8Z,11Z,14Z)/15:0)","4-Amino-N-(2,4-difluorophenyl)benzenesulfonamide","1-Dodecyl-2-pyrrolidinone","Isovaleramide","3-Pyridylacetic acid","N-Methylglutamic acid","Acadesine (Drug)","2-Methylguanosine","Pipecolamide","N-Acetylhistidine","gamma-Glutamylglutamine","Tryptophan","Cordycepin","Fructose 6-phosphate","Choline","Boldenone sulfate","LPS(22:6)","Fluorometholone","Docosahexaenoylserotonin","(Arginyl)adenylate","2,3,4-Pentanetrione, 3-[(4-nitrophenyl)hydrazone]","Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-","PE(20:4(5Z,8Z,11Z,14Z)/0:0)","Cryptomeridiol_11-rhamnoside","4-(2-Methyl-2H-tetraazol-5-yl)aniline","Adenosine monophosphate (AMP)","PC(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))","Ala-Lys","o-Tyrosine","2-Aminopurine","Piscidic Acid","3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one","Phosphorylcholine","1H-Pyrrole-2,5-dione, 1-[6-[[(17.beta.)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-","S-Adenosylhomocysteine","8-Oxo-dGMP","M532T131","PE(20:4(5Z,8Z,11Z,14Z)/16:0)","Pro-Asp","Aflatoxin_B1exo-8,9-epoxide-GSH","Ergoloid_Mesylate","Hexanoylcarnitine (Car(6:0))","Protoporphyrin IX","Heptadecanoyl carnitine","1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-","PE(P-38:6)","Carbamic acid, N-10-undecyn-1-yl-, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester","Heneicosanoic_acid_(21:0)","3-Hydroxystigmast-5-en-7-one","GDP-mannose","His-Tyr","Nifurtimox","4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium cation","2-(2-Naphthyl)-1,3-benzoxazol-5-amine","Leucine","LysoPC(22:1(13Z))","5-phospho-alpha-ribose-1-preQ0","2-Chloro-6-fluoroquinoline-3-carbonitrile","3-(2-Amino-4-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)propanoic acid","His-Asp","gamma-Chaconine","Piperidine","N-(3-((3-((3-Hydroxy-6-methylheptanoyl)oxy)-6-methylheptanoyl)oxy)-8-methylnonanoyl)serine","Pro-Pro","Arg-Ala","Tuberonic acid","2-Stearyl_citrate","Atazanavir","Perifosine","1,8-dihydroxy-3-methylanthra-9,10-quinone","Cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol","2-Chloro-3-(piperidin-1-yl)quinoxaline","LPI(18:0)","PC(20:1(11Z)/15:0)","3-Hydroxy-cis-5-tetradecenoylcarnitine","Hexadecatetraenoylcarnitine (Car(16:4))","LysoPC(20:2(11Z,14Z))","7-(Ethylamino)-6-methyl-4-(trifluoromethyl)-2H-chromen-2-one","PA(18:3(9Z,12Z,15Z)/16:1(9Z))","Norbuprenorphine","N,N-Dimethyl-L-valine","8-[(2-Hydroxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione","N-((7E,11Z)-6,13,14-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-1,17-dioxo-2,3,3a,6,6a,9,10,13,14,15,16,17-dodecahydro-1H-cyclotrideca[d]isoindol-15-yl)acetamide","Arachidonyl_carnitine","Riboflavin","2-Pyrimidinylacetic acid","MeAIB","PC(42:7)","SM(d18:1/14:0)","4-[(3,5-Dinitrobenzoyl)amino]benzoic acid","4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine","1H-Pyrazole, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-","(S,S)-(+)-Tetrandrine","6-Azauracil","3,3-Dimethylpyrrolidin-2-one","(2R)-2-(2,5-Difluorophenyl)pyrrolidine","Lys-Val","Aminocyclopyrachlor","Paraoxon","N-(Furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]hydrazine","1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid","Hydroxyvarenicline, N-trifluoroacetyl-","4-Aminobutanamide","PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Glucosylgalactosyl_hydroxylysine","D-erythro-Sphingosine C-20","r-Aminobutyryl-lysine","5-Nitro-N-(3-pyridinylmethyl)-2-furamide","PC(16:1(9Z)/0:0)[U]","Ricinoleic acid methyl ester","Lauric diethanolamide","Glycine","1,4,7,10,13,16-Hexaoxacyclooctadecane","PC(20:3(5Z,8Z,11Z)/14:0)","Anhydrocinnzeylanol","Glu-Arg","N,N,1,2-Tetramethylcyclopropane-1-carboxamide","Cystathionine","1-Oxa-4,7,10-triazacyclododecane","PC(32:1)","N-Phenyl-N'-(3-pyridinylcarbonyl)thiourea","Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one","Adenylsuccinic acid","Ginkgolide C","Melamine","Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl-","M258T48","1-Hexadecylpyridinium cation","Butyrylcarnitine (Car(4:0))","MLS001077323-01!51333-22-3","(-)-Podophyllotoxin","PC(P-34:0)","1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine","3-Deacetylsalannin","Undecenedioylcarnitine (Car(11:1-O2))","(3S)-1-Azabicyclo[2.2.2]octan-3-amine","Cyanazine","PC(16:0/P-16:0)","3-Hydroxyhexadecanoylcarnitine","(3-Methylbutyl)(6-methylheptan-2-yl)amine","Telon Yellow 4R","2-(4-Pyridinyl)malonaldehyde","Guanosine","7-Keto-8-aminopelargonic acid","1-acyl-PAF","PC(15:0/20:1(11Z))","1-(3-Chlorophenyl)-3-[1-(3,4-dichlorobenzyl)-1H-pyrazol-3-yl]urea","PC(40:9)","7-Amino-4-methyl-2H-1-benzopyran-2-one arachidonoyl amide","LysoPC(18:1(11Z))","Isoleucyl-Phenylalanine","Mesotrione","3-Amino-2,5-dichlorobenzoic acid","LPC(19:0)","1-Tetrahydro-3-furanyl-4-piperidinamine","Polyporusterone A","6,7-Diethoxy-4-methylcoumarin","17-Hydroxycalactin","Spisulosine","Hymexazole","Polysorbate_60","Oxododecanoylcarnitine (Car(12:1-O))","4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)butanoic acid","Palmitoyl sphingomyelin","beta1-Chaconine","Epiafzelechin_3-O-gallate","PC(10:0/10:0)","trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane","1-Methylguanine","Cer(d18:0/14:0)","Uridine","Putative Phenylalanine conjugated chenodeoxycholic acid","3-[4-(4-Hydroxy-2-quinazolinyl)benzyl]-2,4-imidazolidinedione","5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid","2-Chloro-3-fluoro-4-formylpyridine","2-Hydroxymyristoylcarnitine","Proline","PC(18:2(9Z,12Z)/15:0)","Asticolorin_B","PC(40:7)","Decanoylcarnitine (Car(10:0))","Beclomethasone","N-[2-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide","Glutarylcarnitine","1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine","Thiamine","3-Hydroxylinoleoylcarnitine","Probenecid","1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-8-quinolinyl-","Ile-Ser","5-Bromo-2-chloroisonicotinic acid","3-Hydroxyicos-13-enoylcarnitine","Neoeriocitrin","N-Methylvaline","Sulfamerazine","2-(4-Pyridinyl)ethanol","Cyclic adenosine diphosphate-ribose (cADPR)","Argininosuccinic acid","8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one",".beta.-Homoproline","3-Oxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid","3-(Allylsulfanyl)-6-methyl-1,2,4-triazin-5-ol","N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium cation","Ethyl 2-amino-5-ethyl-3-thiophenecarboxylate","(2R)-3-Hydroxyisovaleroylcarnitine","Etrimfos","Daltogen","Ethyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate","1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine","2-(3,4,5-Trimethoxyphenyl)-1H-benzimidazole","Spermidine","betulin","8-Isobutanoylneosolaniol","Icosa-5,8,10,12,14-pentaenoylcarnitine","[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate","3'-O-Methyladenosine","Phenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-","Pentadecanoylcarnitine (Car(15:0))","Aspulvinone_H","PE(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))","Alnustone","Urocanic acid","5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-","1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine","PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Tolmetin","Stigmastane-3,6-dione","Arg-Gly","5-Methylcytidine","4-Chloro-6-(1H-imidazol-1-yl)pyrimidine","Tetraethylene glycol","Arg-Gln","LPS(18:1)","DEHP","N-Oleoyl-D-erythro-sphingosylphosphorylcholine","1-(4-Bromophenylsulfonyl)-4-butylpiperazine","Creatinine","His-Glu","1,3-Dimethylpyrazole","Aspartate","Guanosine 5'-diphosphate (GDP)","N-(1-Deoxy-b-D-fructopyranosyl)_(R)C(S)S-alliin","M516T105","Adenosine 2',3'-cyclic phosphate","2-(2-{4-[2-(1,3-Benzoxazol-2-yl)ethenyl]phenyl}ethenyl)-1,3-benzoxazole","LPS(18:0)","N-Desmethyldiltiazem","4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]morpholine","Valine","Tiglylcarnitine (Car(5:1))","Benz[a]anthracen-1-ol, 8-methoxy-3-methyl-","Hexaethylene glycol","Astaxanthin","4-Methoxybutyrylfentanyl","Decamethylcyclopentasiloxane","Tris(2,4-di-tert-butylphenyl)phosphate","5-Methyldeoxycytidine","sclareol","Argininic_acid","Betaine","L-Alaninamide, N-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-methyl-L-valyl-N-(2-aminoethyl)-","Tyrosine phenylthiohydantoin","1,6-Bis(acetyloxy)-4,4,9,11b-tetramethyl-8-oxotetradecahydro-9,11a-methanocyclohepta[a]naphthalen-5-yl benzoate","(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid","1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine","5-Pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(trifluoromethyl)-","Cytidine","5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione","Ethyl nitroacetate","Succinamide","3,4,5-trimethoxycinnamic acid","PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","5-Methyl DL-glutamate","Heptadecenoylcarnitine (Car(17:1))","Palmitoyleicosapentaenoyl phosphatidylcholine","H-Val-Ala-OH","3-[(3-Nitroanilino)carbonyl]-2-naphthyl dihydrogen phosphate","1-Hexadecylamine","1-Methylhistidine","6-(1-Naphthyl)-5-nitro-2-piperidinone","PC(18:1(9Z)/18:1(9Z))","Dodecenoylcarnitine (Car(12:1))","Sphinganine","LPC(17:0/0:0)","3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic_acid","Glycerophosphoethanolamine","Triphenylphosphine oxide","4-Bromophenyl 1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl ether","5-(2H-Chromen-3-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione","3-Methylcatechol","n-Octadecylamine","Fluocinolone acetonide","conhydrinone","Oxybutynin","Pentylenetetrazole","Phe-His","6.beta.-Hydroxytriamcinolone acetonide","PC(18:1(6Z)/18:1(6Z))","(5Z)-5-(2,5-Dimethoxybenzylidene)-3-(furan-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one","PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Gallocatechin","Bistris","PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))","6a_Methylprednisolone","SM(d18:1/20:0)","4'-Hydroxyflurbiprofen","7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine, N3-cyclopropyl-7-[[4-(1-methylethyl)phenyl]methyl]-","PC(20:4(5Z,8Z,11Z,14Z)/14:0)","2-(9,10-Dioxo-9,10-dihydro-1-anthracenyl)-1H-isoindole-1,3(2H)-dione",".delta.-Tocotrienol","Tetramethylthiourea","Tandutinib","2-(1-Piperidyl)propan-2-ol","N2-Acetyllysine","n-amylamine","Flumetsulam","4-Guanidinobutyric acid","Gly-Gly-Gly","Adenosine 3'-monophosphate","Nicotinamide mononucleotide (NMN)","Phe-Trp","PC(P-18:1(9Z)/0:0)","(3E)-4-Hydroxy-3-[hydroxy-[2-[(1E,3E)-6-hydroxyhepta-1,3-dienyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methylidene]-5-(hydroxymethyl)-1H-pyrrol-2-one","Methionine","1-Palmitoyl-2-azelaoylphosphatidylcholine","N-Pentyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","Glabrone","Lauroylcarnitine","5a-Hydroxy-4-(4-oxoquinazolin-3(4H)-yl)-2-(propan-2-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione","LysoPC(20:4(5Z,8Z,11Z,14Z))","PC(44:10)","[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3(2H)-thione","3,4-Thiophenedicarbonitrile","Isovalerylcarnitine (Car(5:0))","4,5-Di-O-caffeoylquinic acid","PS(16:0/16:0)","4,4,6-Trimethyl-1-(4-methylphenyl)-1,4-dihydro-2-pyrimidinethiol","Gossypetin_8-glucuronide_3-glucoside","3-Methoxytyramine","6-(Chloromethyl)-N2-(2-naphthyl)-1,3,5-triazine-2,4-diamine","Demoxepam","Spironolactone","Nonanoylcarnitine (Car(9:0))","Desaminosulfamethazine","GLYCEROL 2-PHOSPHATE","M268T159","5-Aminopentanal","7-Bromo-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one","2-Chloro-4-(4,5-dihydro-1H-imidazol-2-yl)pyridine","N-3-Oxohexadec-11Z-enoyl-L-homoserine lactone","Glutamine-glutamate","Isoleucyl-Alanine","Heptanoylcarnitine (Car(7:0))","Sanguinarine","3-methylcytidine","Guanosine 5'-monophosphate (GMP)","Eicoseneoylcarnitine (Car(20:1))","3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid","1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine","Flurandrenolide","N-Acetylmannosamine","4-(Piperazin-1-yl)benzene-1-sulfonamide","Pipericine","4-Hydroxybenzoyl-adenylate","Phenol, 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-","Norleucine","Trimethylaminoacetone","3-(Difluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","Mesoporphyrin IX","1-(Cyclohexylmethyl)proline","Kanzonol_F","Arachidonoylcarnitine (Car(20:4))","Lys-Trp","Pentadecylamine","Aviprin","1,2-Didocosahexaenoyl-sn-glycero-3-phosphocholine","LPE(22:4)","Tyrosine","3-Hydroxyarachidonoylcarnitine","Ile-Leu","Cinidon-ethyl","Acetylcarnitine (Car(2:0))","Resmethrin","Lauramine oxide","Dye X-12948-139D","Austalide_K","Lys-Ala","Ethyl 2-amino-4-phenylthiophene-3-carboxylate","5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid","Hypoxanthine","Lurasidone","Triadimefon","1,5-Diphenoxy-9,10-dihydroanthracene-9,10-dione","glutathione sulfinate","3,7,8-Trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one","4,6-Dichloro-2-cyclopropyl-5-methylpyrimidine","LysoPC(0:0/18:0)","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))","Uridine 5'-monophosphate (UMP)","Putrescine","7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","3-Pyridinylboronic acid","3-Hydroxyoleylcarnitine","7H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,7-diamine","26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)-","5,6-Difluoro-1H-indole-3-acetic acid","7-Hydroxycoumarin-3-carboxylic acid","PC(20:3(5Z,8Z,11Z)/18:0)","17-Phenyltrinor-13,14-dihydroprostaglandin A2","Songorine","PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))","LPI(20:4)","PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))","3-Bromo-2-tert-butylimidazo[1,2-a]pyrimidine","Alloimperatorin","Inosine","irigenin","4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine","Methyl_3,4,6-tri-O-galloyl-beta-D-glucopyranoside","[2-Amino-1-(2-chlorophenyl)ethyl]dimethylamine","Methylimidazoleacetic acid","2-(2,6-Dimethylmorpholin-4-yl)ethanol","6-Hydroxyeurycomalactone","2-Oxo-S-phenyl-2-(piperidin-1-yl)ethane-1-sulfonamido","Specioside","Ouabain","Leu-Ile","5,6,7,8-Tetrahydrothieno[2,3-b]quinolin-4-amine","LPC(18:2/0:0)","Serine-Cholic Acid","Lansioside_C","N-(4-Phenoxyphenyl)-2-pyrazinecarboxamide","PC(P-16:0/0:0)","Pirimicarb","Ala-Glu","Anserine","(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al_14-xyloside","Lys-Gln","3-Methylhistidine","SM(d16:1/24:1(15Z))","5-Phosphonooxy-L-lysine","Gentian violet cation","Metharbital","PC(42:10)","Myristoylcarnitine","2-Aminopyridine","(2S,4S)-4-Cyclohexylpyrrolidine-2-carboxylic acid","2-(Dipentylamino)-2-(hydroxymethyl)-1,3-propanediol","4-(4-tert-Butylphenyl)-1,3-thiazol-2-ylamine","CDP-Ethanolamine","D-erythro-D-galacto-octitol","Theaflavin","Methyl 4-(trifluoromethyl)benzoylacetate","1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione","PC(14:0/14:0)","Testosterone decanoate","N-n-Butylpropionamide","3beta-Ergosta-5,23-dien-3-ol","4-Methyl-2-phenyl-1,3-thiazole-5-carboxylic acid","1-Hydroxy Vitamin D2","Arg-Gly-Asp","1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine","Halofantrine","2-(S-Glutathionyl)acetyl_chloride","PE(18:0/18:2)","Dodemorph","Ile-Trp","2-(2-Methoxyethoxy)ethanamine","3',5'-Cyclic Inosine monophosphate","4-Amino-9-methoxypsoralen","Glucose 1-phosphate","Uridine 5'-diphosphate (UDP)","1-Myristoyl-sn-glycero-3-phosphocholine (LPC(14:0/0:0))","Cefpimizole_sodium","Nodakenitin","alpha-Santalyl_phenylacetate","2-Amino-3-bromonaphthoquinone","Cincassiol_B","Pro-Val","Methyl 6-chloro-4-oxo-4H-chromene-2-carboxylate","Streptomycin A","ADP-ribose","Isopropalin","2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2Z)-","Acetylcholine","Octenoyl-carnitine","Benoxacor","Valerylcarnitine","PC(22:2)","1-(2,5-Dimethylphenoxy)-3-(4-morpholinyl)-2-propanol","Sph(t18:0)","N-Arachidonoyldopamine","2-[(2-Methylpropyl)amino]acetic acid","2-Amino-3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]propionic acid","Cucurbitacin_B","3-Methylglutarylcarnitine","PI(16:0/16:1(9Z))","Furmecyclox","3-Methyl-1H-pyrazole-4-carbaldehyde","Dexamethasone acetate","PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Thieno[2,3-b]pyridine-5-carbonitrile, 6,7-dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo-","PC(14:0/16:0)","Docos-13-enoylcarnitine","Erucamide","Prolyl-Histidine","Histamine","Furcelleran","Triciribine","1-[(3-Fluorophenyl)sulfonyl]piperazine","5'-Deoxyadenosine","3-hydroxyoctanoyl carnitine","Glycerophospho-N-palmitoylethanolamine","PC(42:9)","Galactosylglycerol","Mitragynine","Normetanephrine","Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,7-dihydro-5-methyl-6-(1-methylethyl)-7-oxo-","Arnamiol","4-Aminobutyric acid (GABA)","1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol","1,3-Dimethyluracil","Aspochalasin D","Pyrrolidine","Docosatetraenoylcarnitine","4-(4-Chlorophenyl)-6-(difluoromethyl)-2-(ethylsulfonyl)pyrimidine","L-N5-(1-Imino-3-pentenyl)ornithine","2-(4-Methyl-5-thiazolyl)ethyl_isobutyrate","L-?Leucyl-?L-?alanine","4-[(6-Aminopyrimidin-4-yl)amino]benzenesulfonamide","Etonogestrel","Phe-Ala","(3E)-4-Hydroxy-3-[hydroxy-[2-[(1E,3E)-6-hydroxyhepta-1,3-dienyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methylidene]-5-(hydroxymethyl)-1-methylpyrrol-2-one"],"additional_accession":[]},"is_claimable":false,"name":"Mechanisms of Etomidate Addiction and Neuro-Hepatic Toxicity: Molecular Pathway Analysis Based on Multi-Omics Integration","description":"Etomidate has been linked to addictive behaviors and neurotoxic and hepatotoxic effects. We established a mouse exposure model across graded etomidate doses and assessed reward using conditioned place preference (CPP). Proteomic and metabolomic profiling of cerebral tissue and right hepatic lobe tissue was performed using data-independent acquisition (DIA) liquid chromatography–tandem mass spectrometry and quadrupole time-of-flight mass spectrometry, respectively; integrated multi-omics candidates were verified by parallel reaction monitoring (PRM). Both low- and high-dose etomidate significantly increased CPP scores, indicating robust rewarding properties. Neuronal and hepatic lesions increased with dose, with the prefrontal cortex and ventral tegmental area showing the greatest brain vulnerability. Integrated proteomic and metabolomic analyses indicated shared biotransformation- and stress-response features across brain and liver, with brain changes mainly involving xenobiotic metabolism, oxidative stress-related detoxification, and synaptic signaling and cAMP–RAS signaling, and liver changes mainly involving cytochrome P450-mediated biotransformation, lipid and fatty-acid metabolism, and lethal-stage catabolic remodeling. Metabolomics showed dose-stratified pathway disruption: low-dose exposure affected aminoacyl-tRNA and amino acid biosynthesis, high-dose exposure perturbed amino acid and carbon metabolism, and lethal doses altered purine metabolism and glutamatergic pathways. The main innovation of this study lies in establishing a dose-stratified mouse model that integrates CPP behavior, brain and liver pathological injury, and cross-organ proteomic–metabolomic profiling, thereby extending existing evidence of etomidate-related reward and toxicity and delineating a combined molecular profile of etomidate-induced reward-related behavior and organ toxicity.","dates":{"publication":"2026-09-02","submission":"2026-09-02"},"accession":"MTBLS15525","cross_references":{}}