MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367/m_MTBLS13367_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367/m_MTBLS13367_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367/a_MTBLS13367_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367/s_MTBLS13367.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367/a_MTBLS13367_LC-MS_positive_reverse-phase_metabolite_profiling.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13367Finally, theidentification and relative quantitation results of metabolites were obtained. Dataprocessing is based on the Linux operating system (CentOS version 6.6), using R andPython. For details on specific packages and software versions used, please refer tothe README file included in the results.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseUHPLC-MS/MS analyses were performed using a Vanquish UHPLC system(ThermoFisher, Germany) coupled with an Orbitrap Q ExactiveTM HF massspectrometer, Orbitrap Q ExactiveTM HF-X mass spectrometer, Orbitrap Exploris™120 mass spectrometer or Orbitrap Exploris™ 480 mass spectrometer (Thermo Fisher,Germany) in Novogene Co., Ltd. (Beijing, China). Samples were injected onto aHypersil Goldcolumn (100×2.1 mm, 1.9μm) using a 12-min linear gradient at a flowrate of 0.2 mL/min. The eluents for the positive and negative polarity modes wereeluent A (0.1% FA in Water) and eluent B (Methanol).The solvent gradient was set asfollows: 2% B, 1.5 min; 2-85% B, 3 min; 85-100% B, 10 min; 100-2% B, 10.1 min; 2% B, 12 min. An in-situ therapeutic vaccine for targeted treatment of ulcerative colitis via induction and maintenance of long-term immune tolerance.Southeast UniversityZi-Xi Wangblood serummass spectrometryThe samples (100 μL) were placed in the EP tubes and resuspended with prechilled 80%methanol by well vortex. Then the samples were incubated on ice for 5 min andcentrifuged at 15,000 g, 4°C for 20 min. Some of supernatant was diluted to finalconcentration containing 53% methanol by LC-MS grade water.The samples weresubsequently transferred to a fresh Eppendorf tube and then were centrifuged at15000 g, 4°C for 20 min. Finally, the supernatant was injected into the LC-MS/MSsystem analysisMus musculushttps://www.ebi.ac.uk/metabolights/MTBLS13367Zi-Xi Wang. Southeast University. zixiwangseu@gmail.com.Li-nan Tian. Southeast University. 230248355@seu.edu.cn.The data files generated by UHPLC-MS/MS were processed by XCMS to performpeak alignment, peak picking, and quantitation for each metabolite. Then, based onadduct ions and setting mass deviation to 10 ppm, a comparison was made betweenthese data and the self-built high-quality secondary spectrum database (NovoMetDB)to obtain results for metabolite identification. After eliminating background ionsaccording to blank samples, the original quantitative results were normalized by thefollowing formula to obtain relative peak areas: Relative peak areas = Rawquantitative value of samples/ (The sum of quantitative value of samples/ The sum ofquantitative value of QC1); Compounds with a coefficient of variation (CV) ofrelative peak areas in QC samples greater than 30% were removed. Conditionzixiwangseu@gmail.comMale C57BL/6 mice were housed under pathogen-free conditions and acute colitis was induced by dextran sulfate sodium (DSS). Mice were divided into three groups: healthy, control (acute colitis mice treated with PBS), and MRA@RP (acute colitis mice treated with the nanoagent MRA@RP). At the end of treatments, mice were sacrificed and whole blood was collected for metabolomics analysis. The blood was allowed to stand in centrifuge tubes for 1 h at 4 °C to allow coagulation and layering, followed by centrifugation at 5000 g for 10 min at 4 °C. The upper serum was collected for subsequent non-targeted LC–MS metabolomic profiling.Metabolomicsuntargeted metabolitesulcerative colitisGut microbiota (beta diversity)Nanomedicineuntargeted metabolitesulcerative colitisGut microbiota (beta diversity)NanomedicineQ ExactiveTM HF mass spectrometer was operated in positive/negativepolarity mode with spray voltage of 3.5 kV, capillary temperature of 320°C, sheathgas flow rate of 35 psi and aux gas flow rate of 10 L/min, S-lens RF level of 60, Auxgas heater temperature of 350°C.FrustulosinTryptanthrinCyclo(L-Leu-L-Pro)8'-Hydroxyzearalanone4-HydroxynonenalAnisylacetone3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavoneDehydrooreadoneSulfaperinPiceatannol3-Methoxy-4-hydroxyphenylglycolPicealactone AN-L-Leucyl-L-leucineNicotinic acid ribosidePantothenolZygosporin F2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazolineCycloschkuhriadiol acetate5-Oxoavermectin ''1b'' aglyconeSigmoidin JSalacenonalCardiobutanolidePC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))MG(0:0/20:1(11Z)/0:0)Myricanene AN6-Methyl-lysine3beta-Hydroxypregn-5-en-20-one sulfate2,3-Dinor-TXB1WoodhousinCitrullinecis-5,8,11,14,17-Eicosapentaenoic acidTropoloneValeryl-carnitine7-Aminocephalosporanic acidTofacitinibMyxopyronin Bbeta-Isocyclolavandulyl isobutyrate2'-Amino-2'-deoxyadenosineMethylimidazole acetaldehydeDiphenamidSer Tyr ArgMalvone ASM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))Lerisetronhydantoin-5-propionateLysoPC(O-18:0/0:0)7-HydroxychlorpromazineIrumanolide I5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthreneBrassicasterolTributylphosphine oxidealpha-Muramic acidProstaglandin E2Prostaglandin E1Yanucamide BN2-Succinyl-L-ornithinePC(16:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))PGB3L-Pipecolic acidLeu-Ala-Asp9-Hydroxylinaloyl glucosideDi(2-methoxyethyl) phthalatetrans-BenzylideneacetoneN-NonyldeoxynojirimycinH-PHE-PHE-OHdelta9-TetrahydrocannabinolN1-methyladenosinePC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)-OH(5S))cis-Vaccenic acidsn-glycerol-3-phosphoethanolamine3,4-Dihydroxy-3',5'-dimethoxybibenzyl9-Methoxycanthin-6-oneFexofenadineTetrabenazine9-Hydroperoxyoctadecadienoic acidL-phenylalanyl-L-prolinePseudopyronine AAvocadyne 2-acetateLysoPC(14:0/0:0)SM(d18:1/15:0)N-Formylcyclomicrobuxeine(-)-Falcarinolgamma-GlutamylphenylalanineL-2-Amino-3-(oxalylamino)propanoic acidSerratamolide ALysoPE(0:0/18:4(6Z,9Z,12Z,15Z))Oleamide3-(2-Hydroxyphenyl)propanoic acidFluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl etherPalmitaldehyde1,9-PyrazoloanthronePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))VindolineHarmaneAllolithocholic acidUlipristal acetateAminochrome o-semiquinoneUrsocholic acid18alpha-Glycyrrhetinic acid10-Hydroxyhexadecanoylcarnitine(S)-beta-hydroxy-L-tryptophanD-Gluconic AcidPlakorsin B4-oxo-4-(3-oxodecan-2-ylamino)butanoic acidAzelastineSuccinyladenosine(+)-NuciferalArboricineArg Val PheDimethisterone(Z)-Isogeranic acid2-Aminooctanoic acidPlakortolide I21-HydroxypregnenoloneMG(0:0/20:0/0:0)Phthalic acidPC(DiMe(11,3)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))SM(d18:1/23:1(9Z))N6-Acetyl-5S-hydroxy-L-lysineD-erythro-SphingosineNothofaginH-LEU-VAL-OHPyracloniltrans-15-Octadecenoic acidProstaglandin D24beta-HydroxycholesterolAltamisinSM(d16:1/16:0)ApomorphineLeucyl-4-hydroxyprolineLysoPC(22:0/0:0)Bis(2-ethylhexyl) hydrogen phosphate2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-oneSM(d18:0/16:1(9Z)(OH))Pterosin B(4S)-4-Hydroxy-L-isoleucineBatilolVertilmicingamma-Glu-IleGriffithineIndoleClavaminic acid2-(14,15-Epoxyeicosatrienoyl) GlycerolAxerophthenehyocholic acidPerilla ketone(3-Chlorophenyl)hydrazineLysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)Tridecanoic acidL-CarnitineTyr Val ArgRugulosone13-OxoODEPodecdysone BArnebinolN(6),O(2)-DimethyladenosineD-Lysopine18-Nor-4(19),8,11,13-abietatetraeneL-ThyroxineSM(d20:1/20:3(5Z,8Z,14Z)-O(11S,12R))PC(16:0/18:1(9Z))GarajononeSpenolimycinN-BenzyloctadecanamideTRIA-662DilinoleoylphosphatidylcholineMethyl [6]-paradolPC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))Beta-Cortol2-Hydroxyestradiol4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid(6Z,10Z,14Z)-Hexadeca-6,10,14-trienoylcarnitine(6E)-8-Methylnon-6-enoylcarnitineLinoleic acidMagnoshinin23-Norcholic acidPC(18:0/20:4(8Z,11Z,14Z,17Z))Precocene IIMatairesinolDiisopropyl sulfideFructosyl-lysine(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol1,2-DihydrostilbeneStearylcarnitineTri(butoxyethyl)phosphatePC(18:3(10,12,15)-OH(9)/16:0)ClimbazolL-PhenylalanineH-Ser-Phe-OHJuniferininQuinolinic AcidFarnesyl acetateEtimicinAlatol5-Amino-3H-imidazole-4-CarboxamideEcgonineBisthiosemiAdipoyl-carnitineEvolitrinePC(P-18:0/20:2(11Z,14Z))13-HydroxyoctadecanoylcarnitineCalcimycinMG(i-18:0/0:0/0:0)MalonylcarnitineTetrahydrocortisoneIngolbis-(4-hydroxybenzyl)sulfidePC(P-18:1(11Z)/20:2(11Z,14Z))S-Allylmercapturic acidN-Undecanoylglycine17beta-Amino-5alpha-androstan-11beta-olN-butylbenzenesulphonamide1,1,1-Trifluoro-3-hydroxypropan-2-oneAlanyl-GlutamineD-alpha-Tocopherol SuccinateCycloartanyl ferulateLinoleoylcarnitineStreptenol ETyrosylleucineVomicineIsoamyl laurateCrambescidin 359Sinensol F3-dehydrocholic acidAcremolide BEriosematin FLysoPE(0:0/16:0)Arg Phe AlaCelorbicolSuccinic anhydrideSuberosinThymol glucoside6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acidBufotalinPhe Lys HisPC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))Bombykol3-METHYLGLUTARIC ACIDOctadecylamine2-NaphtholLeukotriene D4 methyl esterSM(d17:1/24:0)Crispine A2,5-Furandimethanol2-Palmitoylglycerol(E/Z)-Ginkgolic acid C17:2Coronalolide3-Methyl-(triazen-1-yl)imidazole-4-carboxamideD-Erythro-dihydrosphingosineCivetolIsoleucyl-Histidine(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitinePC(P-18:1(11Z)/20:3(8Z,11Z,14Z))(2E,5Z,7E)-DecatrienoylcarnitineAnhydrovitamin A1Ethyl 3-(methylthio)butanoateC16 Sphinganine1-(2-Thienyl)-1-heptanonePerseitolMyriocinTebufenpyradKadsulignan LArtemetherDocosanamide1,3,2-Dioxathiolane 2,2-dioxideQuinestrolGlabrolSB 205607Aziridyl benzoquinoneDihydrobotrydialoneTrichotriolMedicagenic acid5-Chlorouracil3beta-Fluoro-5beta-pregnan-20-oneZingeroneHapalindole GBrunfelsamidine7-DehydrocholesterolLeucylhydroxyprolineCholest-4,6-Dien-3-OneIndole-3-carboxaldehydeDG(12:0(3-OH)/15:0cyclo/0:0)BUTHIDAZOLEPC(5-iso PGF2VI/18:3(9Z,12Z,15Z))SELENOCYSTAMINE1-O-hexadecyl-2-C-methyl-3-phosphatidylcholine7,8-Dihydrobiopterin4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol1,3-Benzodioxole-5,6-diamineMethyl homodaphniphyllateN,N'-DicyclohexylureaDibutyl adipateLigujapone1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-oneH-Pro-Asp-OH4,6,8-TrimethylazuleneAdrenosterone2,3-Dkpgf1alpha6,7-Dimethoxy-7-epirosmanolDiethyl L-malate5-(Ethylthio)-1H-tetrazoleCalycanthinePC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfideDukunolide BPC(P-16:0/18:4(6Z,9Z,12Z,15Z))3,4-Dimethoxyphenylacetic acid2-HydroxyquinoxalineGarcinone CPC(P-18:1(11Z)/16:1(9Z))SM(d16:1/23:0)(+/-)-2-MethylthiazolidineCohumuloneSer Phe ArgCafestolIsopilocarpinic acidSterequinone AL-Cysteic acid(11Z,14Z)-EicosadienoylcarnitineMethyl pyroglutamateDeacetylspiramine S2,3-diketogulonateLeueantine CSM(d18:2(4E,14Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))(Z)-3-Hexenyl beta-D-glucopyranosideThyrotropin releasing hormoneZILEUTON5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-olIrisoid D1-Margaroyl-glycerolXenimanadin CN,O-Desmethyltramadol3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid1,3-DilinoleinMethyl linoleateMeisoindigoThymineplakortone PBiocytinSM(d18:2(4E,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))3beta,23,28-Trihydroxy-12-oleanene 23-caffeateKuguacin LKirenolN-CyclohexanecarbonyltetradecylamineTridodecylamineMG(0:0/i-17:0/0:0)CalcidiolPrulaurasinPC(20:4(5Z,8Z,10E,14Z)-OH(12S)/22:4(7Z,10Z,13Z,16Z))1-Propenyl 1-(2-propenylsulfinyl)propyl disulfideProsopinineThr Arg TyrMelazolide AMethyl arachidonateoleoyl ethanolamideLongifloroneTaurineHaterumadysin AMammea A/ABGamma-Glu-Leu1-Naphthaleneacetic acidN-Nervonoyl Glycine1-MeO-I3CH2NH26-s-cis-locked retinalguanidinosuccinate12-ketolithocholic acidPestalotheol C4-(2,5-Diethoxy-4-nitrophenyl)morpholineMethyl 5-(1-Propynyl)-2-thiophenepropanoatePirbuterolTriptonidePC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))(E)-4,8-Dimethyl-1,3,7-nonatriene3-Hydroxytrideca-5,7-dienoylcarnitine(5Z,8Z)-TetradecadienoylcarnitineDidemethylcitalopram[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphateSM(d18:0/16:1(9Z))FenoksanL-Leucine(5R)-5-Hydroxylasiodiplodin4-Isopropylbenzyl alcohol8-Acetoxy-3-methoxycalameneneMimosamycinTrifolirhizinApocholic acidIriomoteolide 1aRevandchinone 1Di-n-decyl phthalateEXALAMIDEForskolinRetinoic acid1-Methylguanosine(6Z)-HexadecenoylcarnitineMalachite greenPC(LTE4/22:0)alpha-Boswellic acidAmphidinolide BCryptotanshinoneEthyl leucinateGeranylgeraniolgamma-glutamylglutamateJuvenile hormone II acidPC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))1-pentadecylglycerone 3-phosphateEthyl lysineLysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)AlopecuridineQuinaldic acidElaeokanine CIcosa-8,11,14-trienoylcarnitineHexa-methoxymethyl-melamineRumphellolide AAmmelideOrlistatL-TryptophanPulicatin CLysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))Hexadecanoylpyrrolidine3_4_didhydroxypregna5_17_diene10_2carbolactoneDihydrocoumarinGlycocyamineThioctic acidPropionyl-carnitine1-O-beta-D-Glucopyranosyl-4-epiamplexineSuspensoside BN-3-Hydroxyoctanoyl-L-homoserine lactoneN-MethyldioctylamineStovaineProlylhydroxyprolineDitaxinCholestenoneSoyasapogenol A3-HYDROXY-3-METHYLGLUTARIC ACIDPC(20:3(5Z,8Z,11Z)/20:0)Pentaethylene glycolGitogeninN-(3-Indolylacetyl)-L-AlanineL-Valinetridecane-3,4-dioneEllipticineEnallylpropymalAlosetronN-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamideN-Caffeoylputrescine9-Hydroxyhexylitaconic acidalpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol5-Hydroxy-8-methoxycalamenenePC(14:1(9Z)/20:2(11Z,14Z))3-Acetoxy-E-gamma-Bisabolene9-cis-RetinalCreatineRobustineCysteinyl-HistidineHerkesteroneStriatin C(9Z,12Z)-6-Hydroxyoctadeca-9,12-dienoylcarnitine1-Tuliposide AMG(0:0/19:0/0:0)Octopine3-Deoxyestradiolalpha-IsopropylmalateBakkenolide HPersicaxanthin6-Fluorotryptophan1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthreneCORTISOLDichotomine BLongithorol CBexaroteneLongithorol EOleylcarnitine9-Hydroxyoctadecanoic acidCorymbi-7,13E-dienolideTensyuic acid EN-Hydroxy-MeIQxDG(TXB2/0:0/i-12:0)3-Oxo-4,6-choladien-24-oic acidBroussonetine TDG(16:0/16:0/0:0)DoramapimodMyrtiaphenone B(4E)-2-Oxohexenoic acid2-thio-PAFFicuseptamine AAcetylvalerenolic acidSulcatinAdipostatin B(3R)-3,21-dihydroxyhenicosanoic acid11,15-Epoxy-3(20)-phytene-1,2-diolNostocyclyne A3-Hydroxytetradeca-8,10,12-trienoylcarnitineAnthranil(9Z,11E,13Z)-Octadeca-9,11,13-trienoylcarnitine3'-KetolactoseSesbanimide AAzadironolPC(16:0/18:1(11Z))Hypaphorine17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid2-Hydroxy-6-oxo-octa-2,4-dienoateTetracosanoylglycine3-(z)-caffeoyllupeolL-2-amino-8-hydroxyoctanoateTriptolide2-Methylthiazolidine-4-carboxylic acid2-Phosphonopropionic acidPC(P-18:1(9Z)/22:2(13Z,16Z))5-MethoxyuridineLinderaneLidocainMethyl p-tert-butylphenylacetateL-Glutamic acidPC(20:3(6,8,11)-OH(5)/18:4(6Z,9Z,12Z,15Z))9-(3-Methyl-5-propylfuran-2-yl)nonanoylcarnitinep-OctopamineTetradecanalCanrenone(-)-PellotineAchaetolide2-Ethyldihydro-3(2H)-thiophenone2-HydroxyphenethylamineVal-Tyr-Leu-ArgSemperosideIntebrimine2-Methoxyhydroquinone sulfate16,16-dimethyl-PGA2H-Ile-Tyr-OHalpha-TocotrienolLeu-Asp-GlyDimethylglycinePlatenolide ATerpendole EVinylamycinLysoPC(22:2(13Z,16Z)/0:0)1-MethylinosineLysoPE(18:2w6/0:0)H-MET-MET-OHDeethylatrazine3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylatedelta-TocotrienolBrachystemidine CIsokokusagine2'-HydroxyzearalanolSaccharopinePicrininePC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))4-Hydroxycinnamic acidHexyl 3-mercaptobutanoateStearamide5alpha-Androstan-17beta-ol-3-one glucosiduronateKitigenin3-hydroxy-cis-5-octenoylcarnitineBenzenebutanoic acidPhe Asn LeuLancerodiol 6-(4-hydroxybenzoate)3-Methyl-2-butene-1-thiol(+/-)-2-Phenyl-4-methyl-2-hexenal(-)-Methyl asperageigerate5,6-DHETCissampentine2,4-Dihydroxyhept-2-enedioateSieboldine A9-Methyltricosanoylcarnitine(10Z)-Heptadec-10-enoylcarnitinedelta9-Tetrahydrocannabinol hemisuccinateN-(9-oxodecyl)acetamide13'-OH-alpha-tocopherolN-Myristoyl ArginineRescinnaminolAnacardic Acid3-(3-Methoxyphenyl)propionic acid4-HydroxyhexanoycarnitineViminadione B2,3-Dinor-8-iso prostaglandin F1alpha2-Hexyl-3-phenyl-2-propenalS-Propyl-L-cysteineAlboatisin BQuinoline-4-carboxylic acidGlucovanillinMyrianthine AArolycoricidineN-AcetyltyramineMG(0:0/18:2(9Z,12Z)/0:0)Cyathocaline2-arachidonoyl-lysophosphatidylcholineDipeptide 22-Heptyl-4,5-dimethylthiazoleMilolide ISempervirineOctanedioylcarnitine1,1,1,2,2-Pentafluoro-7-phenylheptan-3-oneMetazocine11beta-HydroxyprogesteroneDinocton 6Vanillin 3-(L-menthoxy)propane-1,2-diol acetal5-O-Desosaminylplatenolide INigakilactone A(-)-Asbestinine 2Leu Arg HisArg Glu TyrXanthineLysoPC(24:1(15Z)/0:0)3-O-MethyldopaGlycerol tributanoate3-Hydroxy-beta-iononeVinpocetinePramoxineFurafyllinePropylparabenDecanoylcarnitineAla-Glu-OHL-GlutamineOvalimethoxy IIAdalinine7-Ethoxy-4-methylcoumarinCholineCREATININE3-Hydroxy-4-(3-methyl-2-butenyl)bibenzylCinnatriacetin A(12Z)-10-HydroxyoctadecenoylcarnitineCyclo(4-hydroxy-R-Pro-S-Leu)NorgraveolineTetranor-PGD1(9E)-7-Hydroxydodec-9-enoylcarnitine2-hydroxyoctanedioic Acid2-Nor-2-formylpyridoxal-5'-phosphatePachyaximine ACyanthoateRoccaninGymnasterone CEtherolenic acidL-(+)-ArabinoseSM(d18:0/PGD2)5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetateHis HisIstamycin FU-10O-methylmalonyl-L-carnitineAsymmetric dimethylargininePC(P-18:0/22:4(7Z,10Z,13Z,16Z))Hymenopsin ALyso-PAF C-16Atenolol acidGliocladic acid(-)-6alpha-methoxylupanineall-trans-4-Oxoretinoic acid5-Hydroxypyrrolidin-2-one(3-Nitroamino)alaninePhosphorylcholinePalmitoylcarnitineHis His Lys3-MethylindoleLysoPC(15:0/0:0)Methyldopa anhydrousLysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)3-Hydroxy-L-aspartic acidC17-SphinganineMetioprimLysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)Indole-3-butyric acidDiosgeninGalacturonic acidTaveuniamide Iisobutyrylcarnitine (C4)3beta,5alpha,6beta-Cholestanetriol4,4'-Dipyridyl disulfide(6Z,9Z)-Hexadecadienoylcarnitine4'-Methylacetophenone2-linoleoyllysophosphatidylcholineLysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)17alpha,21-DihydroxypregnenoloneLactarazuleneArg Cys SerTodralazineDaurioxoisoporphine B3,4-Dihydroxyhydrocinnamic acid(R)-alpha-Methylhistaminep-CresolL-isoleucyl-L-prolineLysoPC(P-18:0/0:0)carbidopaPC(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/18:2(9Z,12Z))9beta-Propionyloxy costunolideTrp Asp Tyr2-EthylpentanedioylcarnitineLysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)epsilon-L-norlysyl pyrraline1-Palmitoyl-sn-glycero-3-phosphocholineSM(d18:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))Arg Tyr Phe12-Demethylmulticaulin(R,R)-(+)-Hydrobenzoin3b-hydroxy-5-cholenoic acidDethiobiotin13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acidXylitolIndole-3-carboxylic acidHydroxyectoineVanillin4-Acetylimidazo[4,5-c]pyridine2-Amino-4-(2-aminophenyl)-4-oxobutanoic acidCleroindicin DPeriplogenin8-Cyclopentyl-1,3-dipropylxanthineRiboflavinL-OctanoylcarnitineSecopiriferine5-Ethyl-2-methyl-4-propylthiazoleGutierrezianolic acid isobutyrate methyl esterEicosapentaenoic acid ethyl ester11-Beta-hydroxyandrostenedioneLindenanolide GIxerisoside D2-eicosapentaenoyl-glycerolN-Acetylaspartylglutamic acid (NAAG)Phe Trp SerDinor-PGF2alphaMultifideneNorwogoninSM(d18:1/16:1(9Z))D-(-)-Quinic acidMonascinVedelianincytidine2-Methyl-4'-(methylthio)-2-morpholinopropiophenoneAnileridineQuercetol B1,2-Dioctanoyl PC6-HydroxydodecanoylcarnitineN2-MethylguanosineL-Proline3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide6-HydroxyoctanoylcarnitineDimethindeneAsterinic acidSpinacetin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamideHexanoyl-carnitineChaetoquadrin EAlpha-N-Phenylacetyl-L-glutamine5-Nitro-2-(3-phenylpropylamino)benzoic acidN(6)-(Octanoyl)lysineTerricollene BTheopederin EPentylone1-O-MethylisobractatinClobazam3-HydroxykynurenamineUreidopropionic acid(+)-Yingzhosu AN-Palmitoyl LysinePhenylalanylhydroxyproline4',5-DihydroxyflavoneGymnastatin APC(20:1(11Z)/18:2(9Z,12Z))SclareolLysoPC(P-16:0/0:0)2-Hydroxy-3-phenylpropenoateLysoPC(20:3)17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-onepara-TrifluoromethylphenolPyrethrosinecis-4-Carboxymethylenebut-2-en-4-olideMelamine2-Methyl-4-propyl-1,3-oxathiane(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne5-HydroxytryptopholPC(20:4(5Z,8Z,11Z,14Z)-OH(19S)/18:1(11Z))6-cis-Docosenamide10-MethylHexadecanoylcarnitine7alpha-Hydroxy-5beta-cholan-24-oic AcidEthylmethylhydroxypyridine succinateDimethenamid-PPoricoic acid B1-nonadecanoyl-sn-glycero-3-phosphocholineMelophlin MMelicarpinone1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholineCyclo(L-Phe-L-Pro)3-HydroxyisovalerylcarnitineN-Isobutyl-(2E,4E)-octadecadienamideTiglylcarnitine2,3-DehydroillifunoneLysoPC(20:2)N-MethylfuntumineMintsulfide(-)-Tochuinyl acetateFomlactone BBenzoyl cyanideEudesmic acidD-Glucurono-6,3-lactone7,8-Dihydrokavain1-N,3-N-Diphenylbenzene-1,3-diamineTrimethoprim4-Hydroxy-6-nonadecanone2H-1,4-Benzodiazepin-2-oneCyclic N-Acetyl-D-mannosamineLEVODOPAIle Thr IleBullatine AKetotifenMansumbinoneSalbutamolTetradecanoylcarnitinePA(i-19:0/14:0)Indole-3-acetylglycineH-Leu-Trp-OHRadulanin B1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholineHexadecanedioic acidLysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))Palmitoyl N-Isopropylamide3-Phenylbutyric acidPolyporusterone B(+)-7alpha,8alpha-Epoxyblumenol BBiliverdinUlmicin ALoganinPROADIFEN(-)-NuciferineXyloseMethyl (E)-2-dodecenoateYohimbic acidNorviburtinalCycasinHC Toxin(-)-PohakulineDutasterideD-MannosamineLysoPC(20:3(5Z,8Z,11Z)/0:0)rel-(-)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olideHuperzine DViridicatolPipnoohine3-hydroxydecanoyl carnitineCurdione3-MethylcyclohexanolCapsiateC16 Sphingosine1-Acetyl-2-methylcyclopenteneMakaluvic acid BPC(18:2(9Z,12Z)/20:3(6,8,11)-OH(5))Methyl oropheateIndole-3-carbinolThiocyanatin AHalaminol CLysoPE(0:0/20:3(5Z,8Z,11Z))Ghalakinosidealpha-TocomonoenolSarkomycin DTriacetin1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexaneEthyl linolenateCytosporin CPC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))ThiamineN-MethyltryptamineL-Ascorbic aciddelta(8,14)-2-Hydroxy-6-deoxyswietenine14-AcetylperegrineNeoruscogeninDodecanoylcarnitineBis(ethylphenyl)etherJaspaquinolGingerenone ASM(d18:0/20:0)L-TyrosineAglaiabbreviatin CAcetylcarnitinePC(18:1(9Z)-O(12,13)/16:0)Midazolam3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranosideConfluentinBoschniaside19-HydroxyconopharyngineL-Rhamnose2-O-Methyl-L-fucoseAlverineVeratrosineDehydronuciferinePE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraenePC(18:1(9Z)/20:4(6E,8Z,11Z,14Z)+=O(5))Bungeiquinone(R)-3-hydroxybutyrylcarnitinePC(16:0/18:3(10,12,15)-OH(9))gamma-Glutamyltyrosine2-Oleoyl-sn-glycero-3-phosphocholine3-Oxo-7-hydroxychol-4-enoic acidSM(d18:1/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))Spermidine2-(4-Methoxyphenyl)ethyl hydrogen sulfate5-AMINOLEVULINIC ACIDHarmalol7-hydroxygranisetron(+/-)-DihydroactinidiolideN,N-DimethyltetradecylamineNardosinone6-Dodecenoylcarnitine(R)-2-Aminoheptanoic acidCoccinone CInumakilactone DDL-alpha,epsilon-Diaminopimelic acidBeta-Hyodeoxycholic acidAlnustonecis-4,7,10,13,16,19-Docosahexaenoic acidCardanolideAcanthovagasteroid ACer(d18:0/18:0)2-ChlorooctadecanalCoronalolide methyl esterSarmentoic acidAspartylphenylalaninePro Pro ArgAmmoresinolChamazulene17-Carboxygrindelic acidPerindopril8-MeSO-octyl-CO2HSM(d19:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))PC(18:1(12Z)-O(9S,10R)/18:2(9Z,12Z))Semilepidinoside BPC(17:1(10Z)/0:0)Hecogenin acetatePyridoxal 5'-phosphateSM(d18:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))12alpha-Methylpregna-4,9(11)-diene-3,20-dioneDinitolmideDemethoxyshogaol6ALPHA-METHYL-11BETA-HYDROXYPROGESTERONEPC(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0)5'-MethylthioadenosineSTROBILACTONE ADEHPQuestiomycin APC(18:0/18:2(9Z,12Z))MianserinRitalinic acid11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-oneMethyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoateSM(d16:1/22:0)PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))ChrysanthenoneScutebarbatine I(rel)2-Hydroxypropyl octanoate3,4',5-Trismethoxybenzophenone3-Hydroxytetradecanoyl carnitineKulokekahilide 2SpirostanPC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(6E,8Z,11Z,14Z)+=O(5))3-(3,4,5-Trimethoxyphenyl)propanoic acidNavenone B7-methanesulfinylheptanenitrile3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin13,14-dihydro-15-keto Prostaglandin J2Gibberellin A1152-PhenylacetamideAcutifolin palmitateEpothilone G1TolcaponeStearidonic Acid4-ChlorocatecholMG(0:0/18:3(6Z,9Z,12Z)/0:0)PC(18:1(11Z)/18:1(9Z))Oglufanide(+)-Almuheptolide B4-phenylbutanic acid-O-sulphateHexaethylene glycolEthyl 3-(methylthio)propionateValeroidine5-Ethyl-2-methylthiazoleDesacetyltetraneurin D 4-O-isobutyrateDioctyl PhthalateAromatic aldehydeIndigo CarmineHymenoflorin(1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside3-Phenyl-1H-pyrazole-4-carbaldehydeMomordicoside IBruceine DBetaineVielanin APhe Leu ArgCyclo-(L-phenylalanine-D-4-hydroxyproline)PC(P-16:0/18:3(9Z,12Z,15Z))MG(18:1(11Z)/0:0/0:0)(8Z)-10-HydroxyhexadecenoylcarnitinePC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))2,6-DimethylbenzenethiolPiroctoneGinsenoside Rh2OxymetazolineEnrofloxacinIbuprofen piconolHericenone Ghomo-PlakotenindiphenylpyralineCaffeic acid 3-glucoside8-Azabicyclo[3.2.1]octaneN-Acetyl-L-aspartic acidManitimus(4E,15E)-BilirubinFurcatoside CAbacavirTryptopholCephalotaxineHomostachydrineL-LysineACENAPHTHYLENE3,4-DimethoxypropiophenoneHis Leu GlnNalpha-Methylhistidine(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraeneYakuchinone AImazamethabenz-methylMetaphit8-{3-[(2Z,5Z)-Octa-2,5-dien-1-yl]oxiran-2-yl}octanoylcarnitine5,10-Pentadecadien-1-olGinsenoside Rk31-MethylhistidineAc-DL-Trp-OHThymolPyridoxine 5'-phosphateDodecanoic acidIsoramanoneBistratamide FIsooxoflaccidinPC(18:1(9Z)/18:1(9Z))Ginsenoside Rk22,4,5-Trimethoxybenzoic acid(plusmn)13-Azaprostanoic acidDysinosin DNigerapyrone DSporovexin BEriodictyol 7,3'-dimethyl etherPE(P-18:1(11Z)/20:1(11Z))Dehydrocarvacrol2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionateMetoprololDoxofyllineMarbofloxacinBancroftinone2-Naphthalenethiol(Indol-3-yl)acetamideCreoside IGlycyl-Arginine3-hydroxyoctanoylcarnitine(2R-cis)-3-Amino-2-oxetanecarboxylic acid7-Oxo-14-nor-4-isocedren-15-alLicoflavone BCamellimidazole FMonooleinSM(d19:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))Progesterone5-hydroxyfuran-2-carboxylic Acid5-Acetylamino-6-amino-3-methyluracilD-FructosePC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))Dendronobilin MEmbelincis-11,14,17-Eicosatrienoic acidPC(16:1(9Z)/16:1(9Z))2-Methoxy-17beta-estradiolCalicoferol I7-AminocholesterolApo-10'-zeaxanthinalPC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))4-EthoxyphenolPC(2:0/18:1(12Z)-O(9S,10R))FerutininSuprofenThr GluAjmaline2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetateNetilmicinBergeninCadinene-gammaFellutanine DPalmitoylethanolamideAnabasinePC(14:1(9Z)/24:1(15Z))(Ethoxymethyl)benzeneMG(0:0/22:1(13Z)/0:0)8alpha,13R-Epoxy-14-labden-19-oic acid6-Hydroxy-3,4-dihydro-1-oxo-beta-carbolinecotinine-glucuronideVal Thr GlnL-Citronellol glucosideGibberellin A10methionine sulfoxideLysoPC(22:4(7Z,10Z,13Z,16Z)/0:0)3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline(-)-KobusoneEremopetasitenin D112-Epinapelline(6E,10E)-2,6,10-Trimethyldodeca-2,6,10-trieneFENSPIRIDETricaprilinLecithin(4aS-trans)-4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-2(3H)-NaphthalenoneRicinoleic acidCelastrol5-oxoprolineTrisdecanoinEslicarbazepinePC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/18:3(6Z,9Z,12Z))Diethylthiocarbamic acid methyl esterGeijerenPC(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/20:3(5Z,8Z,11Z))L-N-(1H-Indol-3-ylacetyl)aspartic acidParahigginic acidHis Pro AsnXylobiose1-Palmitoyl-sn-glycerolGlycidyl stearateSerotoninAminomethanesulfonic acid(+)-GoniopypyroneCudraflavanone BHis Phe ArgHydrocinchonineMEMANTINEEstrane8-GingerolFlutamideIndole-3-propionic acidGlu-GlyPC(20:3(6,8,11)-OH(5)/20:3(5Z,8Z,11Z))Ala-Ala-Pro-ProRugulovasine BAndrachcinidine7-O-Demethyl-18-hydroxy-albocyclinePC(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/18:3(9Z,12Z,15Z))2,2,5,7,8-Pentamethyl-6-ChromanolN-Palmitoyl ArginineLysoPC(18:3(6Z,9Z,12Z)/0:0)N-AcetylserotoninGibberellin A45porphyrinogenAprobarbitalGlycylglycineAminocaproic acidgamma-L-glutamyltyramineNarbonolideGorlic acidXanthotoxolundec-10-enoylcarnitinePC(P-16:0/18:0)(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylateCYCLOSERINEAikupikanyne AAikupikanyne BIndoleacrylic acidLys Asp HisDaucosterolOogoniol 2seco-plakortolide KMG(0:0/22:0/0:0)LysoPE(0:0/18:3(6Z,9Z,12Z))Irisoquin CCerevisterolButenoyl PAFLevamisolePhenytoin catecholHimbacine17alpha,20alpha-Dihydroxypregn-4-en-3-oneParadol11-Keto-beta-boswellic acidN-acetylvalineEthylparaben sufateHemileiocarpinWithangulatin D16-DehydroprogesteroneSpermineHypoxanthinebetaenone ATemozolomidePelletierineRAC-GLYCEROL 1-MYRISTATEL-Arginine4-Hydroxyestronegamma-Linolenic acidCyclo(Ala-Gly)SM(d18:2(4E,14Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))(-)-10-Methoxyvincamedine N-oxide4-DeoxypyridoxineRishitinascaroside C3Lys Leu Serburttinonedehydrateascaroside C6Itoside L2-glyceryl-11,12-EETAristelegone D20alpha-Hydroxy-4-pregnen-3-oneImidazole acetol-phosphatecis-13,16-Docosadienoic acidIsoferulaldehydeDenticulatin B7-nonenoylglycineBengamide EAquiledineSenecionine N-oxideFluasterone3-Amino-2-oxazolidinone4-Heptyloxybenzoic acidDecarbamoylneosaxitoxinMG(0:0/14:1(9Z)/0:0)StenineDesacetylcinobufotalinNicotinuric acidCortisone9(S)-HOTKanzonol ICapsi-amidePC(20:2(11Z,14Z)/20:2(11Z,14Z))LysoPC(22:1(13Z)/0:0)Glycerol tripropanoateDeoxynojirimycin Tetrabenzyl EtherHis Ile AsnTupichigenin DH-Ile-Gln-OHLidamidineAnthosterone BAnofinic acid(9Z)-Icos-9-enoylcarnitineLumichrome(9Z,12Z)-3-HydroxyhexadecadienoylcarnitinePC(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))D-HistidineLysoPE(20:4)(5E)-8-Hydroxytetradec-5-enoylcarnitineN5-formyl-N5-hydroxy-L-ornithine(-)-Arborescidine CArachidonoyl-carnitineCarnosolChrycorinSM(d17:1/PGD1)4-(Dimethylamino)butyl carbamimidothioate2,5-Dimethyl-1,4-dithiane-2,5-diolNorharman24(S),25-EpoxycholesterolSM(d16:1/24:1(15Z))N-AcetylaspidospermidineErgostanolBroussonin E6-Methylnicotinamide(4Z)-Tetradec-4-enoylcarnitine(24Z)-29-Hydroxy-24(28)-dehydromakisterone CPentadecanoyl EthanolamideTerminolic acid1-O-Palmitoyl-2-O-linoleoyl-D-glycerolStigmatellin YN-(gamma-L-glutamyl)-L-alaninolN-Acetylproline(S)-Piperidine-2-carboxamidecis-Hexadec-11-en-7,9-diynoic acidN-(3-Methoxybenzyl)PalmitamideHeptaethylene glycolCoeloginanthrinBenzonitrileCaesaldekarin J16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diolL-MethionineN-Oleoyl ArginineN(6)-glycyl-L-lysineHydroquinineMethyl dihydrojasmonateTheophylline2-Phenyl-3,4-dihydro-2H-thiochromeneIeodomycin ALofexidineXestodecalactone BN-AcetylornithineSamandaroneDendroside F1-FormylneogrifolinCallyspongenol AAntibiotic RK 441Isoalbrassitriol1-AG4-Hydroxybenzohydrazide(2S)-2,7-dihydroxy-5-methoxy-6,8-dimethylflavanoneMet Arg SerHis Gln Glysn-Glycero-3-phosphocholinear-TurmeroneCyclocreatinePyridoxamine(15Z)-tetracos-15-enoylcarnitinePalmitoleoyl EthanolamideAigialoneDL-Kavain7beta-Hydroxycatuabine IIsosericeninLycoperodine 1Dodecanedioic aciddelta-DecalactoneAurachin Btrans-2-Octenoyl-carnitine1-Methylpseudouridine1,8-Bis(4-hydroxybenzyl)-2,7-dihydroxy-4-methoxyphenanthreneEpoxymicheliolideN-MethylmescalineAnnosquamosin E(-)-Epigallocatechin2-amino-10-methanesulfinyldecanoic acidLys Ile MetN-acetyltaurineOvalicin4-OxooctanoylcarnitineSabinic acidNeryl glucosideVorinostat4,6-O-Ethylidene-alpha-D-glucose10-MethyltetradecanoylcarnitinePC(18:0/18:1(9Z)-O(12,13))Riboflavin cyclic-4',5'-phosphateLys Pro HisGuaiazuleneSalinosporamide DKyotorphinGama-glutamylalanineHis Asn GlyThymidine(4-Chlorophenyl)biguanideAmrinoneUrauchimycin A1,8-DinitropyreneN2-Acetyl-L-aminoadipate(+/-)-2-PropylthiazolidineCassineLimazepine ACostunolide5-O-Caffeoylshikimic acid1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-oneMG(0:0/18:0/0:0)Glu Arg Glu(S,S)-traseolideNitrosylsulfuric acid(+)-Strempeliopidine(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoateChokol FChokol GCarbazochromeListrocol3-Hydroxyhept-4-enoylcarnitineGlycylprolylarginineDeoxycorticosterone acetatepimobendanPC(15:0/22:4(7Z,10Z,13Z,16Z))MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)4-Epiphyllanthine3-geranyl-2,4,6-trihydroxybenzophenonePC(20:4(5Z,8Z,11Z,14Z)/18:0)HistamineStrychnine_N_OxideLysoPC(20:0/0:0)NimodipineEplerenoneIsocitrate4-GuanidinobutanalMethyl homosecodaphniphyllateGrindelistrictoic acid5-O-MethylhirsutanonolIcariside H1FluoromethylhistidineDimethylthiophosphate6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione7-Deoxonarchinol ASarcrassin CLehualide APro Ile12-hydroxyjasmonic acidIngenol-5,20-acetonideProtofarrerolFlumazenil acidD-Ribo-phytosphingosineHicksoane A(+)-Rishirilide B1-heptadecanoyl-sn-glycero-3-phosphocholineHerbimycin B2,2,3,3-TetramethylcyclopropanecarbonylureaBorrerineAsp-ValClomethiazolePedatisectine D5-Hydroxydec-5-enedioylcarnitineDecarbamoylsaxitoxin3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-dieneDeoxypentalenylglucuronSalicyluric acid2'(R)-Hydroxylanneaquinol2-Gonen2,5-Furandicarboxylic acidPC(18:2(9Z,12Z)/20:2(11Z,14Z))PC(P-18:0/18:0)ProtoverineOchrephiloneGanoderic acid DMSarcotol acetateLeucanthanolidescalusamide A(7R)-7-Hydroxylariciresinolent-17-Nor-3,8-dioxo-13Z-labden-15-oic acidGypenoside LIBiopterin5,7-Megastigmadien-9-ol glucosideSM(d18:2(4E,14Z)/16:0)1-Stearoyl-sn-glycero-3-phosphocholineSicanatriol 7beta,18-diacetate(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitinefalseUntargeted LC–MS serum metabolomics in a colitis mouse model treated with the microbiota-regulating nanomedicine MRA@RPThis study applies untargeted liquid chromatography–mass spectrometry (LC–MS)–based serum metabolomics to characterize metabolic alterations in a dextran sulfate sodium–induced colitis mouse model and to evaluate the therapeutic effects of the microbiota-regulating nanomedicine MRA_RP. Serum samples from healthy, colitis control and MRA_RP-treated mice were analyzed, and multivariate statistics (including PCA and volcano plots) were used to identify differentially abundant metabolites. MRA_RP treatment shifted the metabolic profile of colitis mice toward that of healthy controls. These data support a role for MRA_RP in comprehensive metabolic reprogramming linked to gut microbiota modulation, contributing to the amelioration of ulcerative colitis and related neuropsychiatric symptoms.2025-11-222025-11-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