MetaboLights

application/xml

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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.MetaboLightsPublicLiquid Chromatography MS - positive - hilicLiquid Chromatography MS - negative - hilicFor 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.Mechanisms of Etomidate Addiction and Neuro-Hepatic Toxicity: Molecular Pathway Analysis Based on Multi-Omics Integration.gaolin zhengHainan Medical UniversityHepaticmass spectrometry assayBrain 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.Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS15524gaolin zheng. Hainan Medical University. zhenggaolin0602@gmail.com.The raw data were converted to the mzXML format using ProteoWizard and processed with an in-house program.Groupzhenggaolin0602@gmail.comCerebral 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.Metabolomicspooled quality control sampleMetabolomicsProteoWizard msconvertMus musculusuntargeted analysisThermo Scientific Orbitrap Exploris 120Neuro-Hepatic ToxicityEtomidate Addictionexperimental sampleuntargeted metabolite profilingThermo Scientific Vanquish UHPLC SystemHepaticXcaliburpooled quality control sampleMetabolomicsProteoWizard msconvertMus musculusuntargeted analysisThermo Scientific Orbitrap Exploris 120Neuro-Hepatic ToxicityEtomidate Addictionexperimental sampleuntargeted metabolite profilingThermo Scientific Vanquish UHPLC SystemHepaticXcaliburThe 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.Acamprosate (calcium)2,6-Dimethyl-4-hydroxybenzaldehyde2,7-Dihydroxy-8-(5-hydroxy-4,8-dimethyl-7-methylidene-3-oxononyl)-4a,7-dimethyl-1,2,3,4,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid2.alpha.-Methyl-5.alpha.-androstan-3.alpha.-ol-17-one glucuronidePhosphoglycolic acid1H-Indole-5-sulfonamide, N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1H-pyrrol-2-yl]methylene]-2,3-dihydro-N-methyl-2-oxo-, (3Z)-(2-{[3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium15(R),19(R)-Hydroxyprostaglandin F1.alpha.Quercetin-3-O-glucuronide1-(4-Hydroxyphenyl)-2-methylaminoethanone(5.Xi.,9.Xi.,18.Xi.)-3-Oxolup-20(29)-ene-27,28-dioic acid2-Amino-3,7-dideoxy-threo-hept-6-ulosonic acid(1,3-Benzothiazol-2-ylsulfonyl)acetic acidDeoxyinosine4-Cresol sulfateGlu-LeuNolatrexedN2-(4-Fluorophenyl)-1,3,5-triazine-2,4-diamine2-Ketocaproic acidPantothenolKetoleucineHexanoylglycineDihydrokaempferolCaplaminM288T261Lipoxin A5Isosakuranin2,2',4,4'-Tetrahydroxybenzophenone1H-Indole-5-sulfonamide, 2,3-dihydro-N,N-dimethyl-2-oxo-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]-2-(2-Nitrophenoxy)propanoic acidCitrullineGlycolate6a,9-Dihydroxy-2-(3-hydroxyprop-1-en-2-yl)-8-methoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-onePaxilline3-oxo-palmitate4,4'-SulfonylbisphenolCapric acidconiferinOctadecanedioic acid2-[(2-Fluorophenyl)amino]acetohydrazideTrp-Gly-TrpDye X-25377-20Nicotinamide adenine dinucleotide phosphate (NADP)N-Acetylaspartic acid2-(2,6-Difluorophenyl)-1H-benzimidazolecis-?9,?10-?Epoxystearic acid2-Acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid4-Bromo-2,6-di-tert-butylphenolL-Fucitol1-Mercapto[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-oneN2-Acetylornithine14-O-AcetyldaunomycinoneUDP-xylose2-Hydroxy-N-{2-[(2-hydroxybenzoyl)amino]ethyl}benzamide(-)-Hydroxycitric acid lactone(3.beta.,5.Xi.,9.Xi.,18.Xi.)-3,19-Dihydroxyurs-12-ene-24,28-dioic acidLysoPE(P-16:0/0:0)Arabinono-1,4-lactonePiscroside A3'3'-Cyclic guanosine monophosphate-adenosine monophosphate (cGAMP)4-(5-Bromo-1H-indol-3-yl)-2-pyrimidinamine4-Amino-2-(1,3-benzothiazol-2-yl)phenolFrangulin B5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid2-Phenyl-1H-benzimidazole-5-sulfonic acidOleic acidGlutaric acidSer-GluDehydro-L-(+)-ascorbic acid dimerAla-PheDestruxin AAdenylsuccinic acid(2E)-6-((3,4-Bis-O-((2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl)-.beta.-D-glucopyranosyl)oxy)-2,6-dimethylocta-2,7-dienoic acidN-Acetylglutamic acidCytidine 5'-diphosphoramidateIsoglobotriaose (iGb3)Ser-SerMethyl 9H-purine-6-carboxylatePiperonylic acidMaltopentaose[(4-Chlorobenzyl)sulfanyl]acetic acidGallic_acidDeoxyguanosine triphosphate (dGTP)Terephthalic-Acid6-Chloro-5-fluoro-1H-1,3-benzodiazol-2-amine2-(2-Ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylic acid3'-SialyllactosePropylthiouracil N-.beta.-D-glucuronide2-Hydroxypalmitic acidPyridoxal (Vitamin B6)IsradipineN-Acetylneuraminic acidPantothenic acidTyr-SerTyrosylalanine4-(1H-Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamineIsovaleric acid1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserineFolipastatinTormentic acidRibothymidineQuillaic acidLeu-Val2-((1-(4-Nitrobenzoyl)prolyl)amino)benzoic acid(2S)-2-[(2R,3S,7R,8R,8aS)-2,3,4'-Trihydroxy-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 acid4,4,4-Trifluorobutyric acidGlycerol oxideCrotonosidebatatasin III3-Oxocholic acid3-(Diphenylphosphoryl)propanoic acidSuccinic semialdehyde5-hydroxytryptophol glucuronideHEPTANOIC ACIDGlyceric acid(1aS,1bS,2S,5aR,6S,6aS)-6-((6-Deoxy-3-O-((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)-.alpha.-L-mannopyranosyl)oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl .beta.-D-glucopyranosideButin4-FluorobenzenesulfonamideBicyclo-prostaglandin E1Imatinib2-amino-3-({[3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acidHydroxy(phenyl)2-thienylacetic acid4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoic acid2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamineMupirocincis-AconitateHomocitric acid3-Dehydroquinic acid4(5H)-Thiazolone, 5-(6-quinolinylmethylene)-2-[(2-thienylmethyl)amino]-, (5Z)-2-Phenyllactic acid1-(1H-Indol-3-yl)-2-(4-morpholinyl)-2-oxoethanonePyrophosphateUridine2''-O-Methylmitorubrin(2-aminoethoxy)[-2-[hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid2-[6-(3,4-Dihydroxy-2-methylidenebutanoyl)oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid2-amino-3-({hydroxy[2-(icosanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propanoic acidMethylacetate4-Acetamidobutyric acidUnguinol2'-Hydroxy-4'-methylacetophenoneIbotenic acid(6E)-8-Methyl-6-nonenoic acidMalonic acid(2Z)-2-Hexadecenoic acidSerinecis-11.14-Eicosadienoic acid3-Pyridinecarboxamide, N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methyl-4-(Methylamino)butanoic acid(S)-3,5-Dihydroxyphenylglycine6-(4-Morpholinyl)-1H-purine3-SulfinoalanineProstaglandin A27-Hydroxy-6-methoxy-3-methyl-5-(propan-2-ylidene)furo[2,3,4-de]chromen-2(5H)-oneDL-2-Methylglutamic acidIsopentenyladeninePyridoxine 5-phosphatePhe-ThrPhenylsulfateIsocitric acidPlumbagin[(4-Methylbenzyl)sulfanyl]acetic acid6,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxylic acid2,3-Dihydroxycyclopentaneundecanoic acidTetradecyl sulfate (sodium)4'-Hydroxy-3'-methylacetophenone9-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid(7E)-11,12-Dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione3-Ketopetromyzonol sulfateGly-HisN-LauroylglycineOxomalonateGlucuronic acidNelarabine__PC(18:1(9E)/18:1(9E))a-Santal-10-en-12-oic acidAllopurinolPyrazine-2-thiocarboxamideSophoraside A4-Quinolinamine, 6-[(1,1-dimethylethyl)sulfonyl]-N-(5-fluoro-1H-indazol-3-yl)-PIPES2,4-Dihydroxybutanoic acid3.alpha.,4.beta.,3.alpha.-Galactotetraose5-Hydroxy-2-(hydroxymethyl)pyridineOct-1-en-3-yl 6-O-pentopyranosylhexopyranoside3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-oneTriamcinoloneCys-Gly-Cys3-Carboxy-6,8-difluoro-7-hydroxycoumarin succinimidyl esterN-3,4-Tridhydroxybenzamide3-Hydroxybutyric acidLithocholic acid 3-sulfateBenzoic acid5'-Fluoro-2'-hydroxy-4-methoxychalconeDimethyl (9E,18E)-1,10-bis(.beta.-D-glucopyranosyloxy)-6,15-dioxo-4a,5,6,8,13a,14,15,17-octahydro-1H,10H-dipyrano[3,4-d:3',4'-k][1,8]dioxacyclotetradecine-4,13-dicarboxylate10-Hydroxy-2,4b,8-trimethyl-2-(2-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)dodecahydro-4a,10a-epoxyphenanthrene-8-carboxylic acid1-Isopropyl-1H-benzimidazole-5-carboxylic acidStearidonic acidBenzenehexanoic acid, 2-(2-propyn-1-yloxy)-Methylsuccinic acid(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-Hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acidTetradecanedioic acid4-Hydroxy-3-oxo-1,3-dihydronaphtho[2,3-c]furan-5-yl .beta.-D-glucopyranosideDodecyl gallateGlycolithocholic acid 3-sulfateThr-Ser4-(4-Cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrileZanamivirN6-AcetyllysineO-Acetylserine6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone(2-aminoethoxy)[2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acidArtesunatePropanoic acid, 3-[(1,4-dihydro-5,8-dimethoxy-1,4-dioxo-2-naphthalenyl)thio]-1-(2,4-Dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone(2R)-6-Oxo-2-piperidinecarboxylic acidL-3-Aminoisobutyric acid1,2-Distearoyl-sn-glycero-3-phospho-L-serineTaurocholic acid{[3-Ethoxy-2-(ethoxycarbonyl)-3-oxo-1-propenyl]amino}acetic acidLysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)7-Hydroxy-4-(trifluoromethyl)coumarinN-(2,3,4-Trihydroxybutyl)-valine2-Deoxyribose 5-phosphateIsodeoxycholic acid(Z)-6-Octadecenoic acidN-(tert-Butoxycarbonyl)tryptophanAlbendazole sulfoneThr-ThrValeric acid1,5,8-Trihydroxy-4-methoxy-9-oxo-9H-xanthen-3-yl .beta.-D-glucopyranosideJasminosidePhenol, 2-[4-[(3,5-dichlorophenyl)amino]-6-methyl-2-pyrimidinyl]-Nitrofurazone1-{2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methoxy]ethoxy}-3-methyl-1-oxo-2-butanamineAmoxicillin5.alpha.-Pregnan-3.alpha.,17-diol-20-one 3-sulfate6-(1-Pyrrolidinyl)-1H-purineEntacapone(17Z)-16-(Acetyloxy)-6-hydroxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-17,24-dien-21-oic acid3-(Trifluoromethyl)cinnamic acid4-Amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acidAnomalin A5-Heptenoic acid, 7-[(1R,2R,3S,5S)-2-[(1E,3S)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl]-, (5Z)-6,8-Dichloro-4-quinazolinol5-Tetradecynoic acidMethyl 2-((3,7-dihydroxy-9-methoxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxy-1-benzoxocin-8-yl)carbonyl)-3,5-dimethoxybenzoate4-Nitroaniline(3.beta.)-Allopregnanolone sulfate3-O-Acetyl-2-O-((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)hexopyranoseN-Acetylglucosamine17-Acetoxygrindelic acid6-(3-(.beta.-D-Glucopyranosyloxy)butyl)-5,5-dimethyl-3-oxocyclohex-1-ene-1-carboxylic acidalpha-Ketoglutaric acid (alpha-KG)Nicotinamide adenine dinucleotide (NAD)(2E)-4-Hydroxybut-2-enoic acid3a,6-Dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-oneLys-Asp1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-(5-fluoropentyl)-Trihydroxycholestanoic acid2-(Hexopyranosyloxy)-3-hydroxypropyl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate(S)-2-[5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate (SAICAR)trimethyl(2-{[2-[octadec-9-enoyloxy]-3-[octadeca-9.12-dienoyloxy]propyl phosphonato]oxy}ethyl)azanium2-(5-Iodo-2-methyl-1H-indol-3-yl)ethanamine2,6-Dihydroxybenzoic acidN-Acetylphenylalaninecis-4,10,13,16-Docosatetraenoic acid2-{[(2-Oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acidN-Benzoylbenzenesulfonamide2-Hydroxyoctanoic acid2-Amino-5,5,5-trifluoropentanoic acidGlu-Val2-(6-Ethenyl-9-hydroxy-2,6,9a-trimethyl-4-oxo-3,5,5a,7,8,9-hexahydro-2H-pyrano[2,3-b]chromen-7-yl)-2-methylpropanoic acidHaploside C2,2-Dimethylsuccinic acid3-Methyl-2-oxovaleric acidDesaminotyrosinecis-7-Hexadecenoic acidN-(1H-Benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamideGlycylleucineMannose 1-phosphateCitric acid6-Pentyl-2H-pyran-2-onecis-9-Palmitoleic acid5-Aminopentanoic acidVal-AsnAsp-AlaValine1-palmitoyl-2-linoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)Val-Asp5-(3-Chlorophenyl)-5-methylimidazolidine-2,4-dionePropyzamideDaidzein 4'-sulfate5-Methyl-1H-pyrazole-3-carbaldehydeHydroxyisocaproic acidBenzoic acid, 4-[[tetrahydro-2-(3-hydroxy-1-butenyl)-5-oxo-3-furanyl]amino]-Glutathione disulfide2-Naphthalenecarboxamide, N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl]-3-Nitro-1H-pyrazole-5-carboxylic acidArachidonic sulfonic acidMedicagenic acidTauroursodeoxycholic acidCecropiacic acid9-Oxo-10(E),12(E)-octadecadienoic acidGlu-AspGlycocholic acidPhe-Val1,2-Propanediol 1-O-b-glucopyranosideLeu-LeuGlucose 6-phosphateIsopropyl methylphosphonic acidIndole-3-carboxaldehyde(2-aminoethoxy)[2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[hexadec-1-en-1-yloxy]propoxy]phosphinic acidStearic acid3-Piperidinecarboxamide, 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(4-chlorophenyl)-1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)AuriculatinEthyl 4-hydroxybenzoateNitrilotriacetic acidIndapamideAtovaquone2-Phosphonoethylphosphonic acidAnthraflavic acidUridine diphosphate glucose (UDP-glucose)2-Hydroxy-3-methylbutyric acidEpoxytricarballylic acid20-Hydroxyleukotriene B4GlutamateBenzenepropanamide, N-(6-chloro-2-benzothiazolyl)-3,4-dimethoxy-Glu-Asn1-{[3-(Trifluoromethyl)phenyl]sulfonyl}-4-piperidinecarboxylic acidMES3-Cyclohexyl-2-hydroxypropanoic acid13,14-Dihydro-16,16-difluoroprostaglandin J2N-(4-oxoglutaryl)-cysteinylglycine2-Aminoadipic acidN-(4-Aminobenzoyl)-L-glutamic acid3-Hydroxyisovaleric acidAlanylalanine (Ala-Ala)MacluraxanthoneThieno[3,2-b][1]benzothiophene-2-carboxylic acid1-(4-Chlorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone5-[(Chloroacetyl)amino]-2-hydroxybenzoic acidDodecanoic acidGlyoxylic acid4-Acetyl-3-ethyl-5-methyl-N-{2-methyl-5-[(methylamino)sulfonyl]phenyl}-1H-pyrrole-2-carboxamideNeohancoside Db-Ala-LysLysoPE(P-18:0/0:0)ROTENONEN-[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamideTriptophenolide5-hydroxy-CTPN-Ethyl-4-hydroxy-N-phenylbenzenesulfonamideOleoylglycerone phosphateOctadec-9-ene-1,18-dioic-acidDelphinidin 3-galactoside cationN-Propyl-9H-purin-6-amine3.alpha.,7.alpha.-Dihydroxy-12-oxocholanoic acid2-Hydroxyethanesulfonic acid3-Oxopentanoic acidClofarabine2-(Hydroxymethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one6-Methyl-2,4-pyrimidinedithiolPelargonic acid2-Hydroxyglutaric acid7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin13(S)-HODEHyodeoxycholic acidQuercetin_3-beta-D-glucoside4-Hydroxyisoleucinen2-(1-Carboxyethyl)-2'-deoxyguanosineN-Hydroxybenzenesulfonamide4-(Trifluoromethyl)quinoline-2,7-diolPinolenic acid1-Allyl-6-hydroxy-2,4(1H,3H)-pyrimidinedioneDifenacoum16-Hydroxypalmitic acidTaurineNaringeninN-Acetyl-2-carboxybenzenesulfonamideAmastatinAllantoin1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl-1,5-AnhydroglucitolLPG(18:1(9Z))Ala-Val2-methylcitrate2,2'-(2-Hydroxyethylazanediyl)diacetic acid2S-Amino-4-phosphonobutyric acidMethyl 1-hydroxy-2-naphthoateProbucol5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid3',4',5,7-Tetrahydroxy-3,6,8-trimethoxyflavoneBenzenesulfonic acidNorartocarpanone6-Hydroxynorleucine2-(2,6-Dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxybenzoic acidMethyl 3-(acetyloxy)-16,19-dihydroxy-4,4,8,12,16-pentamethyl-15,17-dioxoandrost-11-ene-14-carboxylateTrifluoroacetic acid2-Isobutyl-1,3-dioxo-2,3-dihydro-1H-Isoindole-5-carboxylic acid5-Hydroxyvalproic acidbeta-AlanineO-Methyl-L-threonineCarbamoyl_phosphateMethyl 6-hydroxy-1H-indole-3-carboxylateCarboxytolbutamideN-(4-Iodophenyl)-N'-methylthioureaCholic acid 7-sulfate(2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]phosphinic acidN-Cyclohexyl-N-methyl-6-sulfanyl-3-pyridinesulfonamideMidafotel1-16:1-2-18:3-phosphatidylethanolamine1-18:2-2-18:3-phosphatidylethanolamineGanoderic acid BGarcinolGanoderic acid A9-Oxooctadecanoic acidThymidine_3,5-cyclic_monophosphatetrans-Vaccenic acid9-Methylxanthine5-amino-2,4,5-trioxopentanoatecis-11-Eicosenoic acidAurantiamineRibose_1-phosphate2-Hydroxy-2-[2-[(Z)-2-hydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-6-en-3-yl]oxy-2-oxoethyl]butanedioic acid2-(3-Hydroxy-5-oxotetrahydrofuran-3-yl)propyl 6-O-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)-.beta.-D-glucopyranoside3,4-Dihydroxy-5-((6-O-((4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-yl)carbonyl)-.beta.-D-glucopyranosyl)oxy)benzoic acidFostriecinCholesteryl sulfateUndecanoic acidCROTONIC ACID8-Geranyl-7-hydroxycoumarin1.alpha.-Methyl-5.alpha.-androstan-3.alpha.-ol-17-one glucuronideEthyl glucuronideCitrininalpha-ChaconineFructose 1-phosphateN-Acetylglutamine3-[1-(3-Aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione3-Hydroxyvaleric acidgamma-Glutamylglutamic acid2-Aminobutyric acidVigabatrinGentisic acidPhosphate2-[(2R,3S,7R,8R,8aS)-2,3,4'-Trihydroxy-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-methylpentanoic acidN-Acetylglucosamine 6-Phosphate3-MethylcrotonylglycinePI(18:1/18:1)Amidepsine FGlucosamine 1-phosphatePentadecanoic acidWithaferin A3-Hydroxy-6H-benzo[c]chromen-6-oneMethyl ¦Â-D-GalactopyranosideGly-MetPhenylacetylglycine1,4-D-Xylobiose3-(2,4-Dihydroxyphenyl)-5-hydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-8,8-dimethylpyrano[2,3-h]chromen-4-oneBenzoic acid, 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl) -4-isoxazolyl]methoxy]phenyl]ethenyl]-17-ODYADaphylloside3-Phenylpropanoic acid16,16-Dimethylprostaglandin A2(2-aminoethoxy)[2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[octadeca-1.9-dien-1-yloxy]propoxy]phosphinic acid2-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridineEicosapentaenoic acidUracilN-[2,4-Bis(3-methylbut-2-enyl)-6-[2-(5-methyl-3,6-dioxopiperazin-2-yl)acetyl]phenyl]-2,2-dimethylbut-3-enamideGlu-Glu(2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazaniumIndolelactic acid5-(4-Aminophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneAla-IleAtropic acid(3.beta.,5.Xi.,8.alpha.,9.beta.,10.alpha.,16.beta.)-16-Hydroxykauran-3-yl .beta.-D-glucopyranoside5-Aminolevulinic acidMelitidinCaprylic acid4'-phosphopantothenoyl-cytidylateAntibiotic FR 901512M610T2773-MethyluridineGlu-His4-Allylcatechol(-)-GallocatechinM625T2582-Hydroxy-3-(trifluoromethoxy)benzoic acid1-Oleoyl-sn-glycerol 3-phosphateIle-Leu3-Ureidopropionic acid3-Hydroxy-3H-benzo[de]isochromen-1-one12-Methyltridecanoic acid(9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acidMethyl (1S,4aS,7aS)-1-(.beta.-D-glucopyranosyloxy)-4'-((1S)-1-(((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxy)ethyl)-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateN-Acetylglycylglycine2H-1-Benzopyran-2-one, 7-mercapto-4-methyl-2',3'-Isopropylideneguanosine3-Hydroxylauric acid1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol)13-(Dodecan-2-yl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetroneMyristic acidMethyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoateHypoxanthine2'-O-MethylinosinePyrido[4,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(phenylmethyl)-2-thioxo-N-(2,5-Dichlorophenyl)-2-hydroxybenzamideDephospho-CoAHomoserineCelestine Blue cation2'-Deoxyguanosine 5'-diphosphate (dGDP)3-Methylthiopropionic acidPlatencin1-methylinosine5-Hydroxyisourate5-[(2-Chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiolHippuric acid2-(3-Carboxy-4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acidGymnemagenin1-Palmitoyllysophosphatidatebeta-Guanidinopropionic acid6-Oxocativic acidBovinocidinGln-ThrLPC(13:0)M115T2196-Hydroxy-1-((2-O-((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)hexopyranosyl)oxy)-7-methylidene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid4-Hydroxyphenyl 2-O-((2S,3R,4S)-3,4-dihydroxy-4-(((4-hydroxy-3,5-dimethoxybenzoyl)oxy)methyl)tetrahydrofuran-2-yl)-.beta.-D-glucopyranosideGly-AlaGlycyrrhetic acid 3-O-¦Â-D-glucuronide(8R,9a'S,10a'S)-1',1',4,4,12'-Pentamethyl-6',7',8',9',10',10a'-hexahydro-1'H,4H,11'H-spiro[1,4-dioxepino[2,3-g]indole-8,2'-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-9,11'(10H)-dione1-(alpha-linolenoyl)-sn-glycero-3-phosphoethanolamine6'-SialyllactoseApigenin 7-glucuronide2-Hydroxybutyric acidOxazepam glucuronide3,5,9-Trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24-carboxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)-VaccinosideMethylgingerolIsoleucine2-Methyl-3-hydroxybutyric acid2,4-Dihydroxypyrimidine-5-carboxylic acidCatechinDye X-5380-110BPhe-Tyr2-Ethyl-2-hydroxybutyric acid1,2,4-BenzenetriolGlycerol 2-phosphateArachidonic acid (AA)2-[2-(19-Acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid2'-Hydroxy-5'-methylacetophenoneAdeninePyruvate4-Chloro-N-ethylbenzenesulfonamideSinalbinThreonic acidGlu-Val-Phe2-Hydroxy-4-(prop-2-en-1-yl)phenyl 6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosideFructoseHydroxycerivastatin4-HydroxycyclofenilFludarabinequercetin-3-O-pentosideN-OctanoylglycineHEPESHeptadecanoic acidCitraconic acidDehydroascorbic acid (Oxidized vitamin C)4-(dimethylamino)butanoate2-Arachidonoyl-1-stearoyl-sn-glycero-3-phosphoethanolamineTyr-LeuN-Acetyl-D-galactosamine 4-sulfate2-Propenamide, 3-(4-chlorophenyl)-N-(3-methoxyphenyl)-Caproic acid1,6-Anhydro-.beta.-D-glucoseDihydroxyacetone phosphateLeu-IlePalmitic acidsn-Glycerol 3-phosphateAla-Gly9Z-Octadecenoic acid, (2S)-3-[(hydroxymercaptophosphinyl)oxy]-2-methoxypropyl esterBenzamide, 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-Ala-GluSaccharopineMethotrexateN-Succinyl-glutamateEthyl 3-hydroxybenzoatePhe-Met-Arg-Phe-amideAcetylleucine(2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acidOxamatePC ae (16:0/22:6)1-(3,5-Dihydroxyphenyl)-2-[(1,1-dimethylethyl)amino]ethanoneAllopurinol-1-ribonucleosideAllocholic acidN-Nitroso-N-methyl-3-aminopropionic acidOkaramine RDexrazoxane4,6-DihydroxypyrimidineAmlexanoxGlyco-beta-muricholic acidValproic acidGly-ValLeptomycin B4-Hydroxy-threonineThr-AsnEthylidene diacetateN5-acetyl-l-ornithineSer-AlaDocosahexaenoic acid (DHA)2,3-Quinoxalinedione, 6-chloro-1,4-dihydro-IkarugamycinIlicicolin C2-Hydroxystearic acid1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserineIsobutyric_acidNicotinamideN-Methyl-N-(methylsulfonyl)glycineGaylussacinN-Glycolylneuraminic acidIridinHomovanillic acid sulfate3-Phosphonopropanoic acid1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamineN-(3-Chlorobenzyl)-9H-purin-6-amine7-Ketodeoxycholic acidPropofol .beta.-D-glucuronideKipukasin I(1R,4aR,4bS,6aS,9R,10R,10aS)-1-(Carboxymethyl)-10-hydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylic acidNS-398Turanose(3S,6R,12S)-6-Benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetroneThr-LeuDynasoremyo-Inositol1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol2,3-Dihydroxybenzoic acid (Pyrocatechuic acid)Pyroglutamic acid3-Hydroxyoctanoic acidM476T252Uridine 5'-diphosphate (UDP)N2-(3-Hydroxydodecanoyl)asparaginylglutamamide2,6-Di-tert-butylphenolN-(5-Chloropyridin-2-yl)-5-propylthiophene-3-carboxamideHydroxyphenyllactic acidN-(1-Deoxy-1-fructosyl)histidineProstaglandin B2 (PGB2)N-Lactoylphenylalanine9S,15S-Dihydroxy-5Z,13E-prostadienoic acidBenzimidazo[2,1-b]quinazolin-12(5H)-onegamma-Glutamylglutamine1-(1-2R-Phosphothiotidyl)inositol-3,4-bisphosphateLevulinic acidcis-AcetylacrylateIle-MetM297T1241-MethylpseudouridineIsomaltose3-Amino-2-hydroxy-5-sulfobenzoic acidXanthine4¡ä-Hydroxy-2¡ä-methylacetophenone(-)-EpigallocatechinDeoxyguanosine3H-spiro[1,3-benzothiazole-2,3'-indol]-2'(1'H)-onePhloroglucinaldehydetras-4-Hydroxycinnamic acid sulfate1-Stearoylglycerophosphoserine2,4-Dihydroxybenzoic acidMethyl 4-formyl-3-hydroxy-2-naphthoate[1,3]Oxazolo[4,5-b]pyridin-2-olTauro-beta-muricholic acidM403T41(2-aminoethoxy)[2-[docosa-4.7.10.13.16-pentaenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acidMethyl ¦Â-D-glucopyranosideLactate.beta.-D-Glucopyranuronic acid, 1-[3-(1-naphthalenylcarbonyl)-1H-indole-1-pentanoate]lycotetraose[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid2-Hydroxyhexanoic acid6-[(E)-2,8-Dihydroxy-5,7-dimethylnon-5-enyl]-4-hydroxy-3-methylpyran-2-oneLysoPE(P-18:1(9Z)/0:0)Dexamethasone phosphateUrsodeoxycholic acidIsocaproic acidPantetheineOrotic acidPaprazine3-Methyl-1H-pyrazole-4-carbaldehyde1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)3-Hydroxypyruvic acidMaleic acidN-Tigloylglycine5'-O-AcetyladenosineMalic acidFlavin adenine dinucleotide (FAD)NMNHDocebenone3,5-DimethyluracilPhenylpropionylglycineAzomycin3-[8-(2-Hydroxypropan-2-yl)-3-methoxycarbonyl-3,4a,7,10a-tetramethyl-5-methylidene-1,4-dioxo-6,6a,8,9,10,10b-hexahydrobenzo[h]isochromen-7-yl]propanoic acidphosphatidylglycerolphosphate (1,2-di-stearoyl)2-AminopurineIndoxyl sulfate3-Amino-4-methylpentanoic acid2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-onealpha-Rhamnopyranosyl-(1->2)-beta-galactopyranosyl-(1->2)-beta-glucuronopyranosideGalactaric acidCidofovirN1-Methyl-2-pyridone-5-carboxamideM457T382-Hydroxy-2-methylbutyric acidSer-LeuN-(3-Chlorophenyl)-3-hydroxy-2-naphthamide3-{[(1Z)-4-(4-Hydroxyphenyl)phthalazin-1(2H)-ylidene]amino}phenol3-Chloro-2-hydroxy-5-phenylbenzoic acidOxypurinolResolvin_D22-[4-(1-Methyl-1-phenylethyl)phenoxy]propanoic acidPyruvaldehydeAzathioprineGulono-1,4-lactone12-Hydroxystearic acidMethyl 4-hydroxy-3,5-dinitrobenzoateThr-ProDiglycineGly-AspIsovalerylglycineTyr-Val2-Oxoadipic acidFenamiphosEsculentoside B2,6,11-Heneicosatrienedioic acid, 19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-, 1,21-dimethyl esterGDP-mannose4-{[4-(Acetyloxy)benzoyl]amino}benzoic acidPterinep-Toluquinone3-Amino-4,4,4-trifluorobutanoic acidButaprost (free acid)Ethanox 3105-Methyl-2'-deoxycytidine1-Palmitoyl-3-oleoyl-sn-glycero-2-phosphoethanolamineMaltoheptaoseRibose15-Cyclohexylpentanorprostaglandin F2.alpha.N-Cinnamoylglycine4-Oxohexanoic acid[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acidLaurylsulfuric acid2-Hydroxy-2',3'-dichlorobiphenylUridine 5'-diphosphoglucuronic acid (UDP-glucuronate)1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid3,4-Difluoro-L-phenylalanine2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine5,10-Dihydro-10-phenophosphazinol 10-oxide4-Ethoxybenzoic acidDeoxycholic acidTetraazolo[1,5-a]pyridine-8-carboxylic acidGln-Ala(2,5-Dioxo-1-pyrrolidinyl)acetic acid2'-Deoxyguanosine 5'-monophosphate (dGMP)falseMechanisms of Etomidate Addiction and Neuro-Hepatic Toxicity: Molecular Pathway Analysis Based on Multi-Omics IntegrationEtomidate 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.2026-09-022026-09-02MTBLS15524