Finally, the
identification and relative quantitation results of metabolites were obtained. Data
processing is based on the Linux operating system (CentOS version 6.6), using R and
Python. For details on specific packages and software versions used, please refer to
the README file included in the results.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["UHPLC-MS/MS analyses were performed using a Vanquish UHPLC system
(ThermoFisher, Germany) coupled with an Orbitrap Q ExactiveTM HF mass
spectrometer, 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 a
Hypersil Goldcolumn (100×2.1 mm, 1.9μm) using a 12-min linear gradient at a flow
rate of 0.2 mL/min. The eluents for the positive and negative polarity modes were
eluent A (0.1% FA in Water) and eluent B (Methanol).The solvent gradient was set as
follows: 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.
"],"publication":["An in-situ therapeutic vaccine for targeted treatment of ulcerative colitis via induction and maintenance of long-term immune tolerance."],"submitter_affiliation":["Southeast University"],"submitter_name":["Zi-Xi Wang"],"organism_part":["blood serum"],"technology_type":["mass spectrometry"],"disease":[""],"extraction_protocol":["The 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 and
centrifuged at 15,000 g, 4°C for 20 min. Some of supernatant was diluted to final
concentration containing 53% methanol by LC-MS grade water.The samples were
subsequently transferred to a fresh Eppendorf tube and then were centrifuged at
15000 g, 4°C for 20 min. Finally, the supernatant was injected into the LC-MS/MS
system analysis
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13367"],"author":["Zi-Xi Wang. Southeast University. zixiwangseu@gmail.com.","Li-nan Tian. Southeast University. 230248355@seu.edu.cn."],"data_transformation_protocol":["The data files generated by UHPLC-MS/MS were processed by XCMS to perform
peak alignment, peak picking, and quantitation for each metabolite. Then, based on
adduct ions and setting mass deviation to 10 ppm, a comparison was made between
these data and the self-built high-quality secondary spectrum database (NovoMetDB)
to obtain results for metabolite identification. After eliminating background ions
according to blank samples, the original quantitative results were normalized by the
following formula to obtain relative peak areas: Relative peak areas = Raw
quantitative value of samples/ (The sum of quantitative value of samples/ The sum of
quantitative value of QC1); Compounds with a coefficient of variation (CV) of
relative peak areas in QC samples greater than 30% were removed.
"],"study_factor":["Condition"],"submitter_email":["zixiwangseu@gmail.com"],"sample_collection_protocol":["Male 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.
"],"omics_type":["Metabolomics"],"study_design":["untargeted metabolites","ulcerative colitis","Gut microbiota (beta diversity)","Nanomedicine"],"curator_keywords":["untargeted metabolites","ulcerative colitis","Gut microbiota (beta diversity)","Nanomedicine"],"mass_spectrometry_protocol":["Q ExactiveTM HF mass spectrometer was operated in positive/negative
polarity mode with spray voltage of 3.5 kV, capillary temperature of 320°C, sheath
gas flow rate of 35 psi and aux gas flow rate of 10 L/min, S-lens RF level of 60, Aux
gas heater temperature of 350°C.
"],"metabolite_name":["Frustulosin","Tryptanthrin","Cyclo(L-Leu-L-Pro)","4-Hydroxynonenal","8'-Hydroxyzearalanone","Anisylacetone","3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol","5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone","Dehydrooreadone","Sulfaperin","Piceatannol","3-Methoxy-4-hydroxyphenylglycol","Picealactone A","N-L-Leucyl-L-leucine","Nicotinic acid riboside","Pantothenol","2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline","Zygosporin F","Cycloschkuhriadiol acetate","Sigmoidin J","5-Oxoavermectin ''1b'' aglycone","Salacenonal","Cardiobutanolide","PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","MG(0:0/20:1(11Z)/0:0)","N6-Methyl-lysine","Myricanene A","3beta-Hydroxypregn-5-en-20-one sulfate","2,3-Dinor-TXB1","Woodhousin","Citrulline","cis-5,8,11,14,17-Eicosapentaenoic acid","Tropolone","Valeryl-carnitine","7-Aminocephalosporanic acid","Tofacitinib","Myxopyronin B","beta-Isocyclolavandulyl isobutyrate","2'-Amino-2'-deoxyadenosine","Methylimidazole acetaldehyde","Diphenamid","Ser Tyr Arg","Malvone A","SM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","Lerisetron","hydantoin-5-propionate","LysoPC(O-18:0/0:0)","Irumanolide I","7-Hydroxychlorpromazine","5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene","Brassicasterol","Tributylphosphine oxide","alpha-Muramic acid","Prostaglandin E2","Prostaglandin E1","Yanucamide B","N2-Succinyl-L-ornithine","PC(16:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","PGB3","L-Pipecolic acid","Leu-Ala-Asp","9-Hydroxylinaloyl glucoside","Di(2-methoxyethyl) phthalate","trans-Benzylideneacetone","N-Nonyldeoxynojirimycin","H-PHE-PHE-OH","delta9-Tetrahydrocannabinol","cis-Vaccenic acid","N1-methyladenosine","PC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)-OH(5S))","sn-glycerol-3-phosphoethanolamine","3,4-Dihydroxy-3',5'-dimethoxybibenzyl","9-Methoxycanthin-6-one","Fexofenadine","Tetrabenazine","9-Hydroperoxyoctadecadienoic acid","L-phenylalanyl-L-proline","Pseudopyronine A","Avocadyne 2-acetate","LysoPC(14:0/0:0)","SM(d18:1/15:0)","N-Formylcyclomicrobuxeine","(-)-Falcarinol","gamma-Glutamylphenylalanine","L-2-Amino-3-(oxalylamino)propanoic acid","Serratamolide A","LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))","Oleamide","3-(2-Hydroxyphenyl)propanoic acid","Palmitaldehyde","Fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether","1,9-Pyrazoloanthrone","PC(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))","Vindoline","Harmane","Allolithocholic acid","Ulipristal acetate","Aminochrome o-semiquinone","Ursocholic acid","18alpha-Glycyrrhetinic acid","10-Hydroxyhexadecanoylcarnitine","(S)-beta-hydroxy-L-tryptophan","D-Gluconic Acid","Plakorsin B","4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid","Azelastine","Succinyladenosine","(+)-Nuciferal","Arboricine","Arg Val Phe","Dimethisterone","(Z)-Isogeranic acid","2-Aminooctanoic acid","Plakortolide I","21-Hydroxypregnenolone","MG(0:0/20:0/0:0)","Phthalic acid","PC(DiMe(11,3)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))","SM(d18:1/23:1(9Z))","N6-Acetyl-5S-hydroxy-L-lysine","D-erythro-Sphingosine","H-LEU-VAL-OH","Nothofagin","Pyraclonil","trans-15-Octadecenoic acid","Prostaglandin D2","4beta-Hydroxycholesterol","Altamisin","SM(d16:1/16:0)","Apomorphine","Leucyl-4-hydroxyproline","LysoPC(22:0/0:0)","Bis(2-ethylhexyl) hydrogen phosphate","2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one","SM(d18:0/16:1(9Z)(OH))","Pterosin B","(4S)-4-Hydroxy-L-isoleucine","Batilol","Vertilmicin","gamma-Glu-Ile","Griffithine","Indole","Clavaminic acid","2-(14,15-Epoxyeicosatrienoyl) Glycerol","Axerophthene","hyocholic acid","Perilla ketone","(3-Chlorophenyl)hydrazine","LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)","Tridecanoic acid","L-Carnitine","Rugulosone","Tyr Val Arg","13-OxoODE","Podecdysone B","Arnebinol","N(6),O(2)-Dimethyladenosine","D-Lysopine","18-Nor-4(19),8,11,13-abietatetraene","L-Thyroxine","SM(d20:1/20:3(5Z,8Z,14Z)-O(11S,12R))","PC(16:0/18:1(9Z))","Garajonone","Spenolimycin","N-Benzyloctadecanamide","TRIA-662","Dilinoleoylphosphatidylcholine","Methyl [6]-paradol","PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))","Beta-Cortol","2-Hydroxyestradiol","4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid","(6Z,10Z,14Z)-Hexadeca-6,10,14-trienoylcarnitine","(6E)-8-Methylnon-6-enoylcarnitine","Linoleic acid","Magnoshinin","23-Norcholic acid","PC(18:0/20:4(8Z,11Z,14Z,17Z))","Precocene II","Matairesinol","Diisopropyl sulfide","Fructosyl-lysine","(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol","1,2-Dihydrostilbene","Stearylcarnitine","Tri(butoxyethyl)phosphate","PC(18:3(10,12,15)-OH(9)/16:0)","Climbazol","L-Phenylalanine","H-Ser-Phe-OH","Juniferinin","Quinolinic Acid","Farnesyl acetate","Etimicin","Alatol","5-Amino-3H-imidazole-4-Carboxamide","Ecgonine","Bisthiosemi","Adipoyl-carnitine","Evolitrine","PC(P-18:0/20:2(11Z,14Z))","13-Hydroxyoctadecanoylcarnitine","Calcimycin","MG(i-18:0/0:0/0:0)","Malonylcarnitine","Tetrahydrocortisone","bis-(4-hydroxybenzyl)sulfide","Ingol","PC(P-18:1(11Z)/20:2(11Z,14Z))","S-Allylmercapturic acid","N-Undecanoylglycine","17beta-Amino-5alpha-androstan-11beta-ol","N-butylbenzenesulphonamide","1,1,1-Trifluoro-3-hydroxypropan-2-one","Alanyl-Glutamine","D-alpha-Tocopherol Succinate","Cycloartanyl ferulate","Linoleoylcarnitine","Streptenol E","Tyrosylleucine","Vomicine","Isoamyl laurate","Crambescidin 359","Sinensol F","3-dehydrocholic acid","Eriosematin F","Acremolide B","LysoPE(0:0/16:0)","Arg Phe Ala","Succinic anhydride","Celorbicol","Suberosin","Thymol glucoside","6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid","Bufotalin","Phe Lys His","PC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))","Bombykol","3-METHYLGLUTARIC ACID","Octadecylamine","2-Naphthol","Leukotriene D4 methyl ester","SM(d17:1/24:0)","Crispine A","2,5-Furandimethanol","2-Palmitoylglycerol","(E/Z)-Ginkgolic acid C17:2","Coronalolide","3-Methyl-(triazen-1-yl)imidazole-4-carboxamide","D-Erythro-dihydrosphingosine","Civetol","Isoleucyl-Histidine","(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitine","(2E,5Z,7E)-Decatrienoylcarnitine","PC(P-18:1(11Z)/20:3(8Z,11Z,14Z))","Anhydrovitamin A1","Ethyl 3-(methylthio)butanoate","C16 Sphinganine","1-(2-Thienyl)-1-heptanone","Perseitol","Myriocin","Tebufenpyrad","Kadsulignan L","Artemether","Docosanamide","1,3,2-Dioxathiolane 2,2-dioxide","Glabrol","Quinestrol","SB 205607","Aziridyl benzoquinone","Dihydrobotrydialone","Trichotriol","Medicagenic acid","5-Chlorouracil","3beta-Fluoro-5beta-pregnan-20-one","Zingerone","Hapalindole G","Brunfelsamidine","7-Dehydrocholesterol","Leucylhydroxyproline","Cholest-4,6-Dien-3-One","Indole-3-carboxaldehyde","DG(12:0(3-OH)/15:0cyclo/0:0)","BUTHIDAZOLE","PC(5-iso PGF2VI/18:3(9Z,12Z,15Z))","SELENOCYSTAMINE","1-O-hexadecyl-2-C-methyl-3-phosphatidylcholine","7,8-Dihydrobiopterin","4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol","1,3-Benzodioxole-5,6-diamine","Methyl homodaphniphyllate","N,N'-Dicyclohexylurea","Ligujapone","Dibutyl adipate","1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one","H-Pro-Asp-OH","4,6,8-Trimethylazulene","Adrenosterone","2,3-Dkpgf1alpha","Diethyl L-malate","5-(Ethylthio)-1H-tetrazole","6,7-Dimethoxy-7-epirosmanol","Calycanthine","PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))","2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide","Dukunolide B","PC(P-16:0/18:4(6Z,9Z,12Z,15Z))","3,4-Dimethoxyphenylacetic acid","2-Hydroxyquinoxaline","Garcinone C","PC(P-18:1(11Z)/16:1(9Z))","SM(d16:1/23:0)","(+/-)-2-Methylthiazolidine","Cohumulone","Ser Phe Arg","Cafestol","Isopilocarpinic acid","Sterequinone A","L-Cysteic acid","(11Z,14Z)-Eicosadienoylcarnitine","Methyl pyroglutamate","2,3-diketogulonate","Deacetylspiramine S","Leueantine C","SM(d18:2(4E,14Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))","Thyrotropin releasing hormone","(Z)-3-Hexenyl beta-D-glucopyranoside","ZILEUTON","5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone","(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside","3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol","1-Margaroyl-glycerol","Irisoid D","Xenimanadin C","N,O-Desmethyltramadol","3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one","3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","1,3-Dilinolein","Methyl linoleate","Meisoindigo","plakortone P","Thymine","Biocytin","SM(d18:2(4E,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Kuguacin L","3beta,23,28-Trihydroxy-12-oleanene 23-caffeate","Kirenol","N-Cyclohexanecarbonyltetradecylamine","Tridodecylamine","MG(0:0/i-17:0/0:0)","Calcidiol","Prulaurasin","PC(20:4(5Z,8Z,10E,14Z)-OH(12S)/22:4(7Z,10Z,13Z,16Z))","1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide","Prosopinine","Melazolide A","Thr Arg Tyr","Methyl arachidonate","oleoyl ethanolamide","Taurine","Longiflorone","Haterumadysin A","Mammea A/AB","Gamma-Glu-Leu","1-Naphthaleneacetic acid","N-Nervonoyl Glycine","1-MeO-I3CH2NH2","6-s-cis-locked retinal","guanidinosuccinate","12-ketolithocholic acid","Pestalotheol C","Methyl 5-(1-Propynyl)-2-thiophenepropanoate","4-(2,5-Diethoxy-4-nitrophenyl)morpholine","Pirbuterol","Triptonide","PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))","(E)-4,8-Dimethyl-1,3,7-nonatriene","3-Hydroxytrideca-5,7-dienoylcarnitine","(5Z,8Z)-Tetradecadienoylcarnitine","Didemethylcitalopram","[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate","SM(d18:0/16:1(9Z))","Fenoksan","L-Leucine","(5R)-5-Hydroxylasiodiplodin","4-Isopropylbenzyl alcohol","8-Acetoxy-3-methoxycalamenene","Mimosamycin","Trifolirhizin","Apocholic acid","Iriomoteolide 1a","Di-n-decyl phthalate","Revandchinone 1","EXALAMIDE","Forskolin","Retinoic acid","(6Z)-Hexadecenoylcarnitine","1-Methylguanosine","Malachite green","PC(LTE4/22:0)","alpha-Boswellic acid","Amphidinolide B","Cryptotanshinone","Ethyl leucinate","Geranylgeraniol","gamma-glutamylglutamate","PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))","Juvenile hormone II acid","1-pentadecylglycerone 3-phosphate","Ethyl lysine","LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)","Alopecuridine","Quinaldic acid","Icosa-8,11,14-trienoylcarnitine","Hexa-methoxymethyl-melamine","Elaeokanine C","Rumphellolide A","Ammelide","Orlistat","L-Tryptophan","Pulicatin C","LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))","Hexadecanoylpyrrolidine","3_4_didhydroxypregna5_17_diene10_2carbolactone","Dihydrocoumarin","Glycocyamine","Thioctic acid","Propionyl-carnitine","1-O-beta-D-Glucopyranosyl-4-epiamplexine","Suspensoside B","N-3-Hydroxyoctanoyl-L-homoserine lactone","N-Methyldioctylamine","Stovaine","Prolylhydroxyproline","Ditaxin","Cholestenone","Soyasapogenol A","3-HYDROXY-3-METHYLGLUTARIC ACID","PC(20:3(5Z,8Z,11Z)/20:0)","Pentaethylene glycol","Gitogenin","N-(3-Indolylacetyl)-L-Alanine","L-Valine","tridecane-3,4-dione","Ellipticine","Enallylpropymal","Alosetron","N-Caffeoylputrescine","N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide","alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol","9-Hydroxyhexylitaconic acid","PC(14:1(9Z)/20:2(11Z,14Z))","3-Acetoxy-E-gamma-Bisabolene","5-Hydroxy-8-methoxycalamenene","9-cis-Retinal","Creatine","Robustine","Cysteinyl-Histidine","Herkesterone","(9Z,12Z)-6-Hydroxyoctadeca-9,12-dienoylcarnitine","Striatin C","1-Tuliposide A","MG(0:0/19:0/0:0)","Octopine","3-Deoxyestradiol","alpha-Isopropylmalate","Bakkenolide H","Persicaxanthin","6-Fluorotryptophan","1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene","CORTISOL","Dichotomine B","Longithorol C","Longithorol E","Bexarotene","Oleylcarnitine","9-Hydroxyoctadecanoic acid","Corymbi-7,13E-dienolide","Tensyuic acid E","DG(TXB2/0:0/i-12:0)","N-Hydroxy-MeIQx","3-Oxo-4,6-choladien-24-oic acid","DG(16:0/16:0/0:0)","Broussonetine T","Myrtiaphenone B","Doramapimod","(4E)-2-Oxohexenoic acid","Ficuseptamine A","2-thio-PAF","Acetylvalerenolic acid","Sulcatin","Adipostatin B","(3R)-3,21-dihydroxyhenicosanoic acid","11,15-Epoxy-3(20)-phytene-1,2-diol","Nostocyclyne A","3-Hydroxytetradeca-8,10,12-trienoylcarnitine","Anthranil","(9Z,11E,13Z)-Octadeca-9,11,13-trienoylcarnitine","3'-Ketolactose","Sesbanimide A","Azadironol","PC(16:0/18:1(11Z))","Hypaphorine","17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid","2-Hydroxy-6-oxo-octa-2,4-dienoate","Tetracosanoylglycine","3-(z)-caffeoyllupeol","L-2-amino-8-hydroxyoctanoate","Triptolide","2-Methylthiazolidine-4-carboxylic acid","2-Phosphonopropionic acid","PC(P-18:1(9Z)/22:2(13Z,16Z))","5-Methoxyuridine","Linderane","Lidocain","Methyl p-tert-butylphenylacetate","PC(20:3(6,8,11)-OH(5)/18:4(6Z,9Z,12Z,15Z))","L-Glutamic acid","9-(3-Methyl-5-propylfuran-2-yl)nonanoylcarnitine","p-Octopamine","Tetradecanal","Canrenone","(-)-Pellotine","2-Ethyldihydro-3(2H)-thiophenone","Achaetolide","2-Hydroxyphenethylamine","Val-Tyr-Leu-Arg","Intebrimine","Semperoside","16,16-dimethyl-PGA2","2-Methoxyhydroquinone sulfate","H-Ile-Tyr-OH","alpha-Tocotrienol","Leu-Asp-Gly","Dimethylglycine","Platenolide A","Terpendole E","Vinylamycin","LysoPC(22:2(13Z,16Z)/0:0)","1-Methylinosine","LysoPE(18:2w6/0:0)","H-MET-MET-OH","Deethylatrazine","3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate","delta-Tocotrienol","Isokokusagine","Brachystemidine C","2'-Hydroxyzearalanol","Saccharopine","Picrinine","PC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","4-Hydroxycinnamic acid","Hexyl 3-mercaptobutanoate","Stearamide","5alpha-Androstan-17beta-ol-3-one glucosiduronate","Kitigenin","3-hydroxy-cis-5-octenoylcarnitine","Benzenebutanoic acid","Phe Asn Leu","Lancerodiol 6-(4-hydroxybenzoate)","3-Methyl-2-butene-1-thiol","(+/-)-2-Phenyl-4-methyl-2-hexenal","(-)-Methyl asperageigerate","5,6-DHET","2,4-Dihydroxyhept-2-enedioate","Cissampentine","Sieboldine A","9-Methyltricosanoylcarnitine","(10Z)-Heptadec-10-enoylcarnitine","delta9-Tetrahydrocannabinol hemisuccinate","N-(9-oxodecyl)acetamide","N-Myristoyl Arginine","13'-OH-alpha-tocopherol","Rescinnaminol","Anacardic Acid","3-(3-Methoxyphenyl)propionic acid","4-Hydroxyhexanoycarnitine","Viminadione B","2,3-Dinor-8-iso prostaglandin F1alpha","2-Hexyl-3-phenyl-2-propenal","S-Propyl-L-cysteine","Alboatisin B","Quinoline-4-carboxylic acid","Glucovanillin","Myrianthine A","Arolycoricidine","MG(0:0/18:2(9Z,12Z)/0:0)","N-Acetyltyramine","Cyathocaline","2-arachidonoyl-lysophosphatidylcholine","Dipeptide 2","2-Heptyl-4,5-dimethylthiazole","Milolide I","Sempervirine","Octanedioylcarnitine","1,1,1,2,2-Pentafluoro-7-phenylheptan-3-one","Metazocine","11beta-Hydroxyprogesterone","Vanillin 3-(L-menthoxy)propane-1,2-diol acetal","Dinocton 6","5-O-Desosaminylplatenolide I","(-)-Asbestinine 2","Nigakilactone A","Leu Arg His","Arg Glu Tyr","Xanthine","LysoPC(24:1(15Z)/0:0)","3-O-Methyldopa","Glycerol tributanoate","3-Hydroxy-beta-ionone","Vinpocetine","Furafylline","Pramoxine","Propylparaben","Decanoylcarnitine","Ala-Glu-OH","L-Glutamine","Ovalimethoxy II","Adalinine","7-Ethoxy-4-methylcoumarin","Choline","CREATININE","3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl","(12Z)-10-Hydroxyoctadecenoylcarnitine","Cinnatriacetin A","Cyclo(4-hydroxy-R-Pro-S-Leu)","Norgraveoline","(9E)-7-Hydroxydodec-9-enoylcarnitine","Tetranor-PGD1","2-Nor-2-formylpyridoxal-5'-phosphate","2-hydroxyoctanedioic Acid","Pachyaximine A","Cyanthoate","Roccanin","Gymnasterone C","Etherolenic acid","L-(+)-Arabinose","SM(d18:0/PGD2)","5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate","His His","Istamycin FU-10","O-methylmalonyl-L-carnitine","Asymmetric dimethylarginine","PC(P-18:0/22:4(7Z,10Z,13Z,16Z))","Hymenopsin A","Lyso-PAF C-16","Atenolol acid","Gliocladic acid","(-)-6alpha-methoxylupanine","all-trans-4-Oxoretinoic acid","5-Hydroxypyrrolidin-2-one","(3-Nitroamino)alanine","Phosphorylcholine","Palmitoylcarnitine","His His Lys","3-Methylindole","LysoPC(15:0/0:0)","Methyldopa anhydrous","LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)","3-Hydroxy-L-aspartic acid","C17-Sphinganine","Metioprim","LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","Indole-3-butyric acid","Diosgenin","Galacturonic acid","Taveuniamide I","isobutyrylcarnitine (C4)","4,4'-Dipyridyl disulfide","3beta,5alpha,6beta-Cholestanetriol","(6Z,9Z)-Hexadecadienoylcarnitine","4'-Methylacetophenone","2-linoleoyllysophosphatidylcholine","LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","17alpha,21-Dihydroxypregnenolone","Lactarazulene","Arg Cys Ser","Todralazine","Daurioxoisoporphine B","3,4-Dihydroxyhydrocinnamic acid","(R)-alpha-Methylhistamine","p-Cresol","L-isoleucyl-L-proline","LysoPC(P-18:0/0:0)","carbidopa","PC(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/18:2(9Z,12Z))","9beta-Propionyloxy costunolide","Trp Asp Tyr","2-Ethylpentanedioylcarnitine","LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)","epsilon-L-norlysyl pyrraline","1-Palmitoyl-sn-glycero-3-phosphocholine","SM(d18:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","Arg Tyr Phe","12-Demethylmulticaulin","(R,R)-(+)-Hydrobenzoin","3b-hydroxy-5-cholenoic acid","Dethiobiotin","13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid","Xylitol","Indole-3-carboxylic acid","Hydroxyectoine","Vanillin","4-Acetylimidazo[4,5-c]pyridine","2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid","Cleroindicin D","Periplogenin","8-Cyclopentyl-1,3-dipropylxanthine","L-Octanoylcarnitine","Riboflavin","5-Ethyl-2-methyl-4-propylthiazole","Secopiriferine","Gutierrezianolic acid isobutyrate methyl ester","Eicosapentaenoic acid ethyl ester","11-Beta-hydroxyandrostenedione","Lindenanolide G","Ixerisoside D","2-eicosapentaenoyl-glycerol","N-Acetylaspartylglutamic acid (NAAG)","Phe Trp Ser","Dinor-PGF2alpha","Multifidene","Norwogonin","SM(d18:1/16:1(9Z))","D-(-)-Quinic acid","Monascin","Vedelianin","cytidine","2-Methyl-4'-(methylthio)-2-morpholinopropiophenone","Anileridine","Quercetol B","1,2-Dioctanoyl PC","6-Hydroxydodecanoylcarnitine","N2-Methylguanosine","L-Proline","3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide","6-Hydroxyoctanoylcarnitine","Dimethindene","Asterinic acid","Spinacetin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside","(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide","Hexanoyl-carnitine","Chaetoquadrin E","Alpha-N-Phenylacetyl-L-glutamine","5-Nitro-2-(3-phenylpropylamino)benzoic acid","N(6)-(Octanoyl)lysine","Terricollene B","Theopederin E","1-O-Methylisobractatin","Pentylone","Clobazam","3-Hydroxykynurenamine","Ureidopropionic acid","(+)-Yingzhosu A","N-Palmitoyl Lysine","Phenylalanylhydroxyproline","4',5-Dihydroxyflavone","Gymnastatin A","PC(20:1(11Z)/18:2(9Z,12Z))","Sclareol","LysoPC(P-16:0/0:0)","2-Hydroxy-3-phenylpropenoate","LysoPC(20:3)","17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one","para-Trifluoromethylphenol","Pyrethrosine","cis-4-Carboxymethylenebut-2-en-4-olide","Melamine","2-Methyl-4-propyl-1,3-oxathiane","(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne","5-Hydroxytryptophol","PC(20:4(5Z,8Z,11Z,14Z)-OH(19S)/18:1(11Z))","6-cis-Docosenamide","10-MethylHexadecanoylcarnitine","Ethylmethylhydroxypyridine succinate","7alpha-Hydroxy-5beta-cholan-24-oic Acid","Dimethenamid-P","Poricoic acid B","1-nonadecanoyl-sn-glycero-3-phosphocholine","Melophlin M","Melicarpinone","1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholine","Cyclo(L-Phe-L-Pro)","3-Hydroxyisovalerylcarnitine","N-Isobutyl-(2E,4E)-octadecadienamide","Tiglylcarnitine","2,3-Dehydroillifunone","LysoPC(20:2)","N-Methylfuntumine","Mintsulfide","(-)-Tochuinyl acetate","Fomlactone B","Benzoyl cyanide","Eudesmic acid","D-Glucurono-6,3-lactone","1-N,3-N-Diphenylbenzene-1,3-diamine","7,8-Dihydrokavain","Trimethoprim","4-Hydroxy-6-nonadecanone","2H-1,4-Benzodiazepin-2-one","Cyclic N-Acetyl-D-mannosamine","LEVODOPA","Ile Thr Ile","Bullatine A","Ketotifen","Mansumbinone","Salbutamol","Tetradecanoylcarnitine","PA(i-19:0/14:0)","Indole-3-acetylglycine","Radulanin B","H-Leu-Trp-OH","1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine","LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))","Hexadecanedioic acid","Palmitoyl N-Isopropylamide","3-Phenylbutyric acid","Polyporusterone B","(+)-7alpha,8alpha-Epoxyblumenol B","Biliverdin","Ulmicin A","Loganin","PROADIFEN","(-)-Nuciferine","Xylose","Methyl (E)-2-dodecenoate","Yohimbic acid","Norviburtinal","Cycasin","HC Toxin","Dutasteride","(-)-Pohakuline","D-Mannosamine","LysoPC(20:3(5Z,8Z,11Z)/0:0)","rel-(-)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide","Viridicatol","Huperzine D","Pipnoohine","3-hydroxydecanoyl carnitine","Curdione","3-Methylcyclohexanol","Capsiate","1-Acetyl-2-methylcyclopentene","C16 Sphingosine","Makaluvic acid B","PC(18:2(9Z,12Z)/20:3(6,8,11)-OH(5))","Methyl oropheate","Indole-3-carbinol","Thiocyanatin A","Halaminol C","LysoPE(0:0/20:3(5Z,8Z,11Z))","Ghalakinoside","alpha-Tocomonoenol","Sarkomycin D","Triacetin","1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane","Ethyl linolenate","Cytosporin C","PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Thiamine","N-Methyltryptamine","L-Ascorbic acid","delta(8,14)-2-Hydroxy-6-deoxyswietenine","14-Acetylperegrine","Neoruscogenin","Dodecanoylcarnitine","Bis(ethylphenyl)ether","Jaspaquinol","Gingerenone A","SM(d18:0/20:0)","L-Tyrosine","Aglaiabbreviatin C","Acetylcarnitine","PC(18:1(9Z)-O(12,13)/16:0)","Midazolam","Boschniaside","3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside","Confluentin","19-Hydroxyconopharyngine","L-Rhamnose","2-O-Methyl-L-fucose","Alverine","Veratrosine","Dehydronuciferine","PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)","(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene","PC(18:1(9Z)/20:4(6E,8Z,11Z,14Z)+=O(5))","Bungeiquinone","(R)-3-hydroxybutyrylcarnitine","PC(16:0/18:3(10,12,15)-OH(9))","gamma-Glutamyltyrosine","2-Oleoyl-sn-glycero-3-phosphocholine","3-Oxo-7-hydroxychol-4-enoic acid","SM(d18:1/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Spermidine","2-(4-Methoxyphenyl)ethyl hydrogen sulfate","5-AMINOLEVULINIC ACID","Harmalol","7-hydroxygranisetron","(+/-)-Dihydroactinidiolide","N,N-Dimethyltetradecylamine","Nardosinone","6-Dodecenoylcarnitine","(R)-2-Aminoheptanoic acid","Coccinone C","Inumakilactone D","DL-alpha,epsilon-Diaminopimelic acid","Beta-Hyodeoxycholic acid","cis-4,7,10,13,16,19-Docosahexaenoic acid","Alnustone","Cardanolide","Acanthovagasteroid A","Cer(d18:0/18:0)","2-Chlorooctadecanal","Coronalolide methyl ester","Sarmentoic acid","Aspartylphenylalanine","Pro Pro Arg","Chamazulene","Ammoresinol","17-Carboxygrindelic acid","Perindopril","8-MeSO-octyl-CO2H","SM(d19:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","PC(18:1(12Z)-O(9S,10R)/18:2(9Z,12Z))","Semilepidinoside B","PC(17:1(10Z)/0:0)","Hecogenin acetate","Pyridoxal 5'-phosphate","SM(d18:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Dinitolmide","12alpha-Methylpregna-4,9(11)-diene-3,20-dione","Demethoxyshogaol","6ALPHA-METHYL-11BETA-HYDROXYPROGESTERONE","PC(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0)","5'-Methylthioadenosine","STROBILACTONE A","DEHP","Questiomycin A","PC(18:0/18:2(9Z,12Z))","Mianserin","Ritalinic acid","11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol","(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one","Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate","SM(d16:1/22:0)","PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))","Chrysanthenone","Scutebarbatine I(rel)","3,4',5-Trismethoxybenzophenone","2-Hydroxypropyl octanoate","3-Hydroxytetradecanoyl carnitine","Kulokekahilide 2","Spirostan","PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(6E,8Z,11Z,14Z)+=O(5))","3-(3,4,5-Trimethoxyphenyl)propanoic acid","Navenone B","7-methanesulfinylheptanenitrile","3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin","13,14-dihydro-15-keto Prostaglandin J2","Gibberellin A115","2-Phenylacetamide","Tolcapone","Acutifolin palmitate","Epothilone G1","Stearidonic Acid","4-Chlorocatechol","MG(0:0/18:3(6Z,9Z,12Z)/0:0)","PC(18:1(11Z)/18:1(9Z))","Oglufanide","4-phenylbutanic acid-O-sulphate","Hexaethylene glycol","(+)-Almuheptolide B","5-Ethyl-2-methylthiazole","Valeroidine","Ethyl 3-(methylthio)propionate","Desacetyltetraneurin D 4-O-isobutyrate","Dioctyl Phthalate","Aromatic aldehyde","Hymenoflorin","Indigo Carmine","(1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside","3-Phenyl-1H-pyrazole-4-carbaldehyde","Momordicoside I","Bruceine D","Betaine","Vielanin A","Phe Leu Arg","Cyclo-(L-phenylalanine-D-4-hydroxyproline)","PC(P-16:0/18:3(9Z,12Z,15Z))","MG(18:1(11Z)/0:0/0:0)","(8Z)-10-Hydroxyhexadecenoylcarnitine","PC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","2,6-Dimethylbenzenethiol","Ginsenoside Rh2","Piroctone","Oxymetazoline","Enrofloxacin","Ibuprofen piconol","Hericenone G","homo-Plakotenin","diphenylpyraline","Caffeic acid 3-glucoside","8-Azabicyclo[3.2.1]octane","N-Acetyl-L-aspartic acid","Manitimus","(4E,15E)-Bilirubin","Furcatoside C","Abacavir","Tryptophol","Cephalotaxine","Homostachydrine","L-Lysine","ACENAPHTHYLENE","3,4-Dimethoxypropiophenone","His Leu Gln","Nalpha-Methylhistidine","(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene","Yakuchinone A","Imazamethabenz-methyl","Metaphit","8-{3-[(2Z,5Z)-Octa-2,5-dien-1-yl]oxiran-2-yl}octanoylcarnitine","5,10-Pentadecadien-1-ol","Ginsenoside Rk3","1-Methylhistidine","Ac-DL-Trp-OH","Thymol","Pyridoxine 5'-phosphate","Dodecanoic acid","Isoramanone","Bistratamide F","Isooxoflaccidin","PC(18:1(9Z)/18:1(9Z))","Ginsenoside Rk2","2,4,5-Trimethoxybenzoic acid","(plusmn)13-Azaprostanoic acid","Nigerapyrone D","Dysinosin D","Sporovexin B","PE(P-18:1(11Z)/20:1(11Z))","Eriodictyol 7,3'-dimethyl ether","Dehydrocarvacrol","2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate","Doxofylline","Metoprolol","Marbofloxacin","Bancroftinone","2-Naphthalenethiol","(Indol-3-yl)acetamide","Glycyl-Arginine","Creoside I","3-hydroxyoctanoylcarnitine","(2R-cis)-3-Amino-2-oxetanecarboxylic acid","7-Oxo-14-nor-4-isocedren-15-al","Licoflavone B","Camellimidazole F","Monoolein","SM(d19:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Progesterone","5-hydroxyfuran-2-carboxylic Acid","5-Acetylamino-6-amino-3-methyluracil","D-Fructose","PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Dendronobilin M","Embelin","cis-11,14,17-Eicosatrienoic acid","PC(16:1(9Z)/16:1(9Z))","2-Methoxy-17beta-estradiol","Calicoferol I","Apo-10'-zeaxanthinal","7-Aminocholesterol","PC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))","4-Ethoxyphenol","PC(2:0/18:1(12Z)-O(9S,10R))","Ferutinin","Suprofen","Thr Glu","Ajmaline","2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate","Netilmicin","Bergenin","Cadinene-gamma","Fellutanine D","Palmitoylethanolamide","Anabasine","PC(14:1(9Z)/24:1(15Z))","(Ethoxymethyl)benzene","MG(0:0/22:1(13Z)/0:0)","6-Hydroxy-3,4-dihydro-1-oxo-beta-carboline","8alpha,13R-Epoxy-14-labden-19-oic acid","cotinine-glucuronide","Val Thr Gln","L-Citronellol glucoside","Gibberellin A10","methionine sulfoxide","LysoPC(22:4(7Z,10Z,13Z,16Z)/0:0)","3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one","1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline","(-)-Kobusone","Eremopetasitenin D1","12-Epinapelline","(6E,10E)-2,6,10-Trimethyldodeca-2,6,10-triene","FENSPIRIDE","Tricaprilin","Lecithin","(4aS-trans)-4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-2(3H)-Naphthalenone","Ricinoleic acid","Celastrol","5-oxoproline","Trisdecanoin","Eslicarbazepine","PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/18:3(6Z,9Z,12Z))","Diethylthiocarbamic acid methyl ester","Geijeren","PC(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/20:3(5Z,8Z,11Z))","L-N-(1H-Indol-3-ylacetyl)aspartic acid","Parahigginic acid","His Pro Asn","Xylobiose","1-Palmitoyl-sn-glycerol","Glycidyl stearate","Serotonin","Aminomethanesulfonic acid","(+)-Goniopypyrone","Cudraflavanone B","His Phe Arg","Hydrocinchonine","MEMANTINE","Estrane","8-Gingerol","Flutamide","Indole-3-propionic acid","Glu-Gly","PC(20:3(6,8,11)-OH(5)/20:3(5Z,8Z,11Z))","Ala-Ala-Pro-Pro","Rugulovasine B","Andrachcinidine","7-O-Demethyl-18-hydroxy-albocycline","PC(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/18:3(9Z,12Z,15Z))","2,2,5,7,8-Pentamethyl-6-Chromanol","N-Palmitoyl Arginine","LysoPC(18:3(6Z,9Z,12Z)/0:0)","N-Acetylserotonin","Gibberellin A45","porphyrinogen","Aprobarbital","Glycylglycine","Aminocaproic acid","Narbonolide","gamma-L-glutamyltyramine","Gorlic acid","Xanthotoxol","undec-10-enoylcarnitine","PC(P-16:0/18:0)","(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate","CYCLOSERINE","Aikupikanyne A","Aikupikanyne B","Indoleacrylic acid","Lys Asp His","Daucosterol","Oogoniol 2","LysoPE(0:0/18:3(6Z,9Z,12Z))","MG(0:0/22:0/0:0)","seco-plakortolide K","Irisoquin C","Cerevisterol","Levamisole","Butenoyl PAF","Phenytoin catechol","Himbacine","17alpha,20alpha-Dihydroxypregn-4-en-3-one","Paradol","N-acetylvaline","11-Keto-beta-boswellic acid","Ethylparaben sufate","Hemileiocarpin","Withangulatin D","16-Dehydroprogesterone","Spermine","Hypoxanthine","betaenone A","Temozolomide","Pelletierine","RAC-GLYCEROL 1-MYRISTATE","L-Arginine","4-Hydroxyestrone","gamma-Linolenic acid","Cyclo(Ala-Gly)","SM(d18:2(4E,14Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","(-)-10-Methoxyvincamedine N-oxide","4-Deoxypyridoxine","Rishitin","ascaroside C3","Lys Leu Ser","burttinonedehydrate","ascaroside C6","Itoside L","2-glyceryl-11,12-EET","Aristelegone D","20alpha-Hydroxy-4-pregnen-3-one","Imidazole acetol-phosphate","cis-13,16-Docosadienoic acid","Denticulatin B","Isoferulaldehyde","7-nonenoylglycine","Bengamide E","Aquiledine","Senecionine N-oxide","Fluasterone","3-Amino-2-oxazolidinone","4-Heptyloxybenzoic acid","Decarbamoylneosaxitoxin","MG(0:0/14:1(9Z)/0:0)","Stenine","Desacetylcinobufotalin","Nicotinuric acid","Cortisone","Kanzonol I","9(S)-HOT","PC(20:2(11Z,14Z)/20:2(11Z,14Z))","Capsi-amide","LysoPC(22:1(13Z)/0:0)","Glycerol tripropanoate","Deoxynojirimycin Tetrabenzyl Ether","His Ile Asn","Tupichigenin D","H-Ile-Gln-OH","Lidamidine","Anthosterone B","(9Z)-Icos-9-enoylcarnitine","Anofinic acid","Lumichrome","(9Z,12Z)-3-Hydroxyhexadecadienoylcarnitine","PC(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","D-Histidine","LysoPE(20:4)","(5E)-8-Hydroxytetradec-5-enoylcarnitine","N5-formyl-N5-hydroxy-L-ornithine","(-)-Arborescidine C","Arachidonoyl-carnitine","Carnosol","SM(d17:1/PGD1)","4-(Dimethylamino)butyl carbamimidothioate","Chrycorin","2,5-Dimethyl-1,4-dithiane-2,5-diol","Norharman","24(S),25-Epoxycholesterol","SM(d16:1/24:1(15Z))","Broussonin E","Ergostanol","N-Acetylaspidospermidine","6-Methylnicotinamide","(4Z)-Tetradec-4-enoylcarnitine","(24Z)-29-Hydroxy-24(28)-dehydromakisterone C","Pentadecanoyl Ethanolamide","Terminolic acid","1-O-Palmitoyl-2-O-linoleoyl-D-glycerol","N-(gamma-L-glutamyl)-L-alaninol","Stigmatellin Y","N-Acetylproline","(S)-Piperidine-2-carboxamide","cis-Hexadec-11-en-7,9-diynoic acid","N-(3-Methoxybenzyl)Palmitamide","Heptaethylene glycol","Benzonitrile","Coeloginanthrin","Caesaldekarin J","16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol","L-Methionine","N-Oleoyl Arginine","N(6)-glycyl-L-lysine","Hydroquinine","Methyl dihydrojasmonate","Theophylline","2-Phenyl-3,4-dihydro-2H-thiochromene","Ieodomycin A","Lofexidine","Xestodecalactone B","N-Acetylornithine","Samandarone","Dendroside F","1-Formylneogrifolin","Callyspongenol A","Antibiotic RK 441","Isoalbrassitriol","1-AG","4-Hydroxybenzohydrazide","(2S)-2,7-dihydroxy-5-methoxy-6,8-dimethylflavanone","Met Arg Ser","His Gln Gly","sn-Glycero-3-phosphocholine","ar-Turmerone","Cyclocreatine","Pyridoxamine","(15Z)-tetracos-15-enoylcarnitine","Palmitoleoyl Ethanolamide","Aigialone","DL-Kavain","Isosericenin","7beta-Hydroxycatuabine I","Lycoperodine 1","Dodecanedioic acid","delta-Decalactone","Aurachin B","trans-2-Octenoyl-carnitine","1-Methylpseudouridine","1,8-Bis(4-hydroxybenzyl)-2,7-dihydroxy-4-methoxyphenanthrene","Epoxymicheliolide","N-Methylmescaline","Annosquamosin E","(-)-Epigallocatechin","Lys Ile Met","N-acetyltaurine","Ovalicin","2-amino-10-methanesulfinyldecanoic acid","4-Oxooctanoylcarnitine","Sabinic acid","Neryl glucoside","Vorinostat","4,6-O-Ethylidene-alpha-D-glucose","10-Methyltetradecanoylcarnitine","PC(18:0/18:1(9Z)-O(12,13))","Riboflavin cyclic-4',5'-phosphate","Lys Pro His","Guaiazulene","Salinosporamide D","Kyotorphin","Gama-glutamylalanine","His Asn Gly","Thymidine","Amrinone","(4-Chlorophenyl)biguanide","N2-Acetyl-L-aminoadipate","1,8-Dinitropyrene","Urauchimycin A","(+/-)-2-Propylthiazolidine","Cassine","Costunolide","Limazepine A","5-O-Caffeoylshikimic acid","MG(0:0/18:0/0:0)","1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one","Glu Arg Glu","(S,S)-traseolide","Nitrosylsulfuric acid","(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate","(+)-Strempeliopidine","Chokol F","Carbazochrome","Chokol G","Listrocol","3-Hydroxyhept-4-enoylcarnitine","Glycylprolylarginine","Deoxycorticosterone acetate","pimobendan","PC(15:0/22:4(7Z,10Z,13Z,16Z))","MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)","4-Epiphyllanthine","3-geranyl-2,4,6-trihydroxybenzophenone","PC(20:4(5Z,8Z,11Z,14Z)/18:0)","Histamine","Strychnine_N_Oxide","LysoPC(20:0/0:0)","Nimodipine","Eplerenone","Isocitrate","4-Guanidinobutanal","Methyl homosecodaphniphyllate","Grindelistrictoic acid","5-O-Methylhirsutanonol","Icariside H1","Fluoromethylhistidine","Dimethylthiophosphate","6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione","7-Deoxonarchinol A","Sarcrassin C","Lehualide A","Pro Ile","12-hydroxyjasmonic acid","Ingenol-5,20-acetonide","Protofarrerol","Flumazenil acid","D-Ribo-phytosphingosine","Hicksoane A","(+)-Rishirilide B","1-heptadecanoyl-sn-glycero-3-phosphocholine","2,2,3,3-Tetramethylcyclopropanecarbonylurea","Herbimycin B","Borrerine","Clomethiazole","Asp-Val","5-Hydroxydec-5-enedioylcarnitine","Pedatisectine D","3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-diene","Decarbamoylsaxitoxin","Deoxypentalenylglucuron","Salicyluric acid","2'(R)-Hydroxylanneaquinol","2-Gonen","2,5-Furandicarboxylic acid","PC(18:2(9Z,12Z)/20:2(11Z,14Z))","PC(P-18:0/18:0)","Ganoderic acid DM","Ochrephilone","Protoverine","Sarcotol acetate","Leucanthanolide","scalusamide A","(7R)-7-Hydroxylariciresinol","Gypenoside LI","ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid","Biopterin","5,7-Megastigmadien-9-ol glucoside","SM(d18:2(4E,14Z)/16:0)","1-Stearoyl-sn-glycero-3-phosphocholine","Sicanatriol 7beta,18-diacetate","(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine"],"additional_accession":[]},"is_claimable":false,"name":"Untargeted LC–MS serum metabolomics in a colitis mouse model treated with the microbiota-regulating nanomedicine MRA@RP","description":"This 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.
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