Metabolite identification was performed by matching accurate mass-to-charge ratio (m/z), retention time, and MS/MS fragmentation spectra against an in-house database, public databases, and predictive libraries, with a combined score ≥0.5. Isotopes and adducts were annotated, and the final dataset was merged across positive and negative ion modes (retaining the highest confidence annotation and lowest CV value) for downstream statistical analysis.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Chromatographic separation was performed on a Thermo Scientific Vanquish UHPLC system equipped with a Vanquish autosampler, using a Waters ACQUITY Premier HSS T3 analytical column (1.8 μm, 2.1 mm × 100 mm) protected by a matching guard column. The column temperature was maintained at 40 °C, with a flow rate of 0.4 mL/min and injection volume of 3 μL. A gradient elution program was applied using 0.1% formic acid in water (mobile phase A) and 0.1% formic acid in acetonitrile (mobile phase B), optimized for non-targeted metabolomic profiling of rat esophageal tissue.
"],"publication":["Shunwei Jiangni Decoction Ameliorates Reflux Esophagitis by Modulating the Esophageal Microbiota-Metabolite-Inflammation-Barrier Axis and Inhibiting TLR4/NF-κB Pathways."],"submitter_affiliation":["Shanxi University of Chinese Medicine"],"submitter_name":["tianling zhang"],"organism_part":["Esophageal tissue"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Frozen esophageal tissue samples were thawed on ice, then minced and homogenized. A 20 mg (±1 mg) aliquot was extracted with 400 μL of 70% methanol (containing internal standards) using bead milling (30 Hz, 20 s), followed by vortexing and centrifugation steps. The final supernatant was filtered and prepared for UHPLC-MS analysis.
"],"organism":["Rattus?norvegicus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14112"],"author":["Tianling Zhang. Shanxi University of Traditional Chinese Medicine. No. 121,University Street,College Campus,Shanxi Province,China. zhangtianling@sxtcm.edu.cn."],"data_transformation_protocol":["Raw LC-MS data were converted to mzML format using ProteoWizard, then processed with XCMS for peak detection, alignment, and retention time correction. Missing values were filtered and imputed (KNN for <50% blank values, 1/5 minimum for >50% blank values), and peak areas were corrected using SVR. QC samples were used to monitor data stability, with only features showing CV <0.3 in QC samples retained.
"],"study_factor":["Treatment"],"submitter_email":["tianlingzhang0723@gmail.com"],"sample_collection_protocol":["Organism: Rattus norvegicus (SD rat)
Sample type: Esophageal tissue
Groups: Control, Mod, SWJN_L, SWJN_H, Quality Control (QC)
"],"omics_type":["Metabolomics"],"study_design":["Gastroesophageal Reflux","untargeted metabolite profiling","Esophageal Tissue"],"curator_keywords":["Gastroesophageal Reflux","untargeted metabolite profiling","Esophageal Tissue"],"mass_spectrometry_protocol":["Mass spectrometric detection was carried out using a Thermo Scientific Q Exactive HF-X Orbitrap mass spectrometer coupled to the Vanquish UHPLC system, equipped with an Electrospray Ionization (ESI) source operating in both positive and negative ion modes. The quadrupole-Orbitrap hybrid mass analyzer was set to scan over an m/z range of 70–1000 Da for both full MS and data-dependent MS2 acquisition, with optimized resolution and collision energy settings to ensure high-resolution accurate mass measurement and comprehensive metabolite fragmentation analysis.
"],"metabolite_name":["[(Iminiomethyl)amino]acetate","Tridihexethyl","(¡À)-2-(2-Methylpropyl)thiazolidine","Pyrocatechol","2',3'-Cyclic UMP","TG(10:0_10:0_10:0)","5-(12-Nonadecenyl)resorcinol","Ectoine","Cytidine-5'-monophosphate","PG(16:1_16:1)","Nolatrexed","Lunarine","Altretamine","4-(Butylamino)benzoic acid","5,6-Dihydroxyindole-2-carboxylic acid","1,2-Dilinoleoyl-SN-glycero-3-phosphocholine","Bifenazate","1-Stearoyl-2-linoleoyl-sn-glycerol","Nipecotic acid","Thymoquinone","2-Methylpropanal O-methyloxime","Citrulline","1,5-Naphthalenediamine","3-Methoxybenzyl alcohol","D1-propenyl sulfide","Thioanisole","Cervonyl carnitine","N-(6-Aminohexyl)-1-Naphthalenesulfonamide","4-Oxo-2-nonenal","Gln-Arg","Methyl dihydrogen phosphate","1-Methylpyrrole","Tanabalin","N-trans-feruloyl-4'-O-methyldopamine","4-Hydroxybenzaldehyde","betSitosterol","2-[N-Cyclohexylamino]ethane sulfonic acid","3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol","LPC(15:0_0:0)","Benzenediazonium","Asn-Ile","Prostaglandin E2","(-)-Tylocrebrine","1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine","Oxprenolol","Nagaba","Hydroxypropanedioic acid","Jasmone","PC(P-18:0_18:0)","Alpinine","Mevalonic acid","LPE(18:2_0:0)","2-Hexylbenzothiazole","Hexane","4-Nitrosobiphenyl","4-Methylcatechol","Phenylalanylserine","4,6-Dihydroxy-2-mercaptopyrimidine","2-Chloro-1-propanol","7-Benzylidenenaltrexone","Arachidonoyl LPA","6-Methylmercaptopurine","Clavamycin D","Hexadecylamine","Proline betaine","PA(8:0_12:0)","Oleamide","Pro-Gly","Pantothenic acid","Colfosceril palmitate","6-Benzylaminopurine","LPC(20:1_0:0)","Tetraethylammonium","Erucic acid","cis-1,2-Dihydro-3-ethylcatechol","Xanthurenic acid","Acetylfentanyl","Indoleacetaldehyde","Lactobacillic acid","Amitrole","(2R)-2-azaniumyl-3-(methylsulfanyl)propanoate","Succinyladenosine","Phenylephrine","Acetoacetic acid","Damascenone","Phe-Gly","Carnitine C18:2","Phe-Glu","Acrovestone","(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid","Betaine aldehyde hydrate","2,4,5-Trimethyloxazole","Acetylpyruvic acid","Leucylvaline","2-dehydro-3-deoxy-L-rhamnonic acid","Benzyl alcohol","4-Methoxybenzaldehyde","4-Chloro-o-phenylenediamine","PE-NMe2(18:2_18:2)","13,14-Dihydro-15-keto-PGE2","PS(16:1_15:0)","Pyridine","Diethyl carbonate","4-Hydroxyquinoline","2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium","Noroxyhydrastinine","Calcium l-aspartate","(S)-2-Propylpiperidine","¦Ä-Valerolactam","1,3-Benzenediol","2-(Octylthio)ethanol","Butenafine hydrochloride","Furan","RHODANINE","2,3-Dihydroxyindole","LPE(P-16:0)","4-Methylbenzaldehyde","Benzamide","5'-Deoxy-5'-methylthioadenosine","Avocadyne","MG(0:0_16:0_0:0)","Acrolein","Gln-Asp","Penicilloic acid","3-Methyloxindole","Maculosine","2-Acetyl-5-methylpyridine","2-Methyl-3-(methylthio)pyrazine","13-OxoODE","13,14-Dihydro-15-keto-pgd2","Adenosine","Adenosine monophosphate","9-OxoODE","Allopurinol","Aschantin","Terbufos","Indolepyruvate","Pro-Ile","2-Hydroxycinnamic acid","Cathinone","1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide","Butabarbital","Methylacetoacetic acid","Benzene","Methyleugenol","3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone","Dichloroacetic acid","2-amino-3-(1H-pyrazol-1-yl)propanoic acid","Thiodiglycol","1,2,3,4-Tetrahydro-betcarboline-3-carboxylic acid","Trp-Glu","PE(19:1_0:0)","5-Methylcytosine","Stearidonic acid","1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine","Succinaldehyde","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine","Chinomethionat","N-Methylpyridinium","Phenformin","Erythritol","1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine","Anhydrolycorinone","PC(P-18:0_16:0)","Glycidyl oleate","Phytanic acid","(8S,8'S)-Secoisolariciresinol 9-xyloside","Carnitine C3:0","Glyceryl monostearate","MG(18:1_0:0_0:0)","Quinone","PE-NMe2(20:2_15:0)","N-Undecanoylglycine","Chloropentafluoroethane","S-methylmethionine","Valeric acid","His-Ser","Acetaminophen","Pentanenitrile","Heptaminol","x3-Methyl-3-cyclohexen-1-ol","Tyrosylleucine","Pyruvatoxime","1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine","Phenylacetaldehyde","Geranyl acetate","Disoxaril","Methoxypyrazine","2-Methyl-1-propenethiol","2-O-Methylcytosine","(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one","Octadecylamine","4-Acetyl-3-methylpyridine","Fluorobenzene","Glu-Leu-Arg","10,11-Dihydro-12R-hydroxy-leukotriene E4","2-(1-methyl-1H-imidazol-5-yl)acetic acid","Nitrobenzene","3-methoxybenzene-1,2-diol","3-Methylcyclohexanethiol","¦Â-Alanine","1-(2-Furanyl)-2-propanone","Calcium oxalate","1-Eicosanoyl-sn-glycero-3-phosphocholine","1-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine","Docosanamide","2-Undecanone","N'-Hydroxybenzenecarboximidamide","LPE(14:0_0:0)","N-(2-hydroxyethyl)icosanamide","Benzeneacetonitrile","4-Hydroxymethamphetamine","Carbamodithioic acid","Pipecolic acid","4-(2-Aminoethyl)benzenesulfonyl fluoride","Benzophenone","Brunfelsamidine","Simetryn","Vignatic acid A","[(2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate","Carnitine C5:1","4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid","Flavin adenine dinucleotide","9,12-Octadecadiynoic Acid","Tretinoin","Decahydro-2-naphthoic acid","2-(1H-Imidazol-1-Yl)Acetic Acid","Tetrahydrothiophene-2-carboxylic acid","Cinnamyl alcohol","4-Mercapto-2-butanol","2-Ammonioethanesulfinate","Carnitine","2-Methyl-1-pyrroline","Ala-Tyr","Taurochenodeoxycholic acid","Prostaglandin I2","Metazachlor","5-Methoxyindoleacetate","Muscimol","L-Prolyl-L-methionine","Tetrahydro-2-methyl-3-thiophenethiol","Cinitapride","[(3R)-3,7-dimethyloct1,6-dien-3-yl] formate","Methyl (methylthio)acetate","Dehydrochorismic acid","PC(18:0_18:2)","Cyclopentanethiol","Nabilone","Menthol","4-Carboxypyrazole","Fluorouracil","Ethanethioic acid","2-Thiopheneacetonitrile","(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene","Adenosine-5'-triphosphate","4-Hydroxybenzyl alcohol","Arginyl-Histidine","2,8-Dihydroxyquinoline-betD-glucuronide","Diethyl maleate","1,4-Dithiane-2,5-diol","Mycaminosyltylonolide","PC(18:1_18:2)","Benzyl glycinate","4-(betD-ribofuranosyl)aminobenzene 5'-phosphate","n,n,n-Trimethylethenaminium","Mesalazine","LPC(20:3_0:0)","Avenoleic acid","Mucronine B","2-Furancarboxaldehyde","2-Hydroxy-4-(methylthio)butyric acid","Maleic hydrazide","N-Palmitoylglycine","1-Propenyl propyl disulfide","Amastatin","1-Naphthol","gammButyrolactone","Isoleucylproline","Damascenine","Procymidone","Pirbuterol","Carnitine C12:0","gammGlutamylcysteine","2,6-Dimethyl-naphtalene","Trimethobenzamide","Indole 3-Ethanol","PA(24:1_18:1)","PE-NMe2(20:0_18:3)","Verruculogen","Trigonelline","Pyridoxal","Anhalonidine","N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine","Docosatrienoic acid","1,1,6-Trimethyltetralin","N-(1-Deoxy-1-fructosyl)isoleucine","Glycerol","5-Oxo-deltbilirubin","leukotriene C4","Hematoporphyrin","1-Monoricinoleoyl-sn-glycerol","Ribonic acid","Deoxyuridine-5'-diphosphate","Guanosine-5'-monophosphate","7-Methylguanosine","Angelic acid","Glycerophospho-N-Oleoyl Ethanolamine","Aminoethoxyacetic acid","4-Methoxyaniline","DN-acetylchitobiose","2-Propylsuccinic acid","TG(12:0_12:0_12:0)","Fenfluramine","L-Palmitoylcarnitine","PE-NMe2(14:1_18:2)","1-Phenyl-1-propanone","Diammonium ethylenebis(dithiocarbamate)","Butoxyacetic acid","2-Aminobutyric acid","Flumetover","Octopamine","Carnitine C6:1","Carnitine C6:0","4-Trimethylammoniobutanoate","2-Amino-1-phenylethanol","Curcumol","FFA(12:1)","Dopamine","C24:1 Sphingomyelin","Nifedipine","Testosterone","2-Hydroxy-6-Aminopurine","2-Ethyl-3-methylpyrazine, 9CI","n-Oleoylethanolamine","Asn-Trp","L-Cysteinesulfinic acid","Uracil","2-Aminobenzamide","3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide","N-oleoylglycine","Vidarabine","2,4-Hexadienoic acid","Cinnamaldehyde","Crotonic acid","betFunaltrexamine","1-Palmitoyl-2-oleoyl-sn-glycerol","Diflunisal","3-Phenylpropanal","Ethyl 3-(furfurylthio)propionate","Cytosine","LPC(0:0_22:4)","Isobutyronitrile","2-Picoline","5-Chloro-2-hydroxy-p-benzoquinone","Tyr-Asp","Triton X-100","Dihydro-4-mercapto-3(2H)-furanone","Aminoguanidine","2-Hexenal","Isothipendyl","4-Acetamido-2-amino-6-nitrotoluene","Mafenide","4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone","12-Hydroxy-12-octadecanoylcarnitine","12-Ketolithocholic acid","Lysylproline","Polypropylene glycol (m w 1,200-3,000)","prostaglandin D2","deltHexanolactone","Eujambolin","MG(16:1_0:0_0:0)","N-lactoyl-Tryptophan","1,4-Dimethyl-7-ethylazulene","(4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec4,13-dienamide","bicyclo-PGE2","Carnitine C8:1","1,6-Dimethoxypyrene","3-Hydroxypicolinic acid","betCarboline","5,9:6,9-Diepoxy-3-megastigmene","2-Propanoylthiazole","1-Cyano-2-hydroxy-3-butene","4-(Methylsulfanyl)butan-2-ol","Apigenin 7-glucuronide","1-Phenylethanol","Ethephon","4-Methylpent-2-enal","1-(1H-imidazo[4,5-c]pyridin-4-yl)ethanone","Isoleucine","Undecylenic acid","phenylalanine","6-Methyl-5-hepten-2-one","1,2,4-Benzenetriol","PE-NMe2(22:0_15:0)","LPE(18:0_0:0)","Pro-Trp","Terpendole E","Deethylatrazine","3-Methylbenzyl alcohol","Dihydroxyacetone phosphate","Monoethyl malonic acid","1-(Ammoniomethyl)cycloheaxaneacetate","2-Methylbenzyl alcohol","Ethylbenzene","16-Hydroxyhexadecanoic acid","2-Hydroxy-3-phosphonooxybut-3-enoic acid","Voriconazole","Carnitine C16:2","3,5-Dihydroxybenzoic acid","Carnitine C16:1","Ser-Phe","Imidazo[1,2-b]pyridazine","Aminoparathion","Tyramine","Acetylisoniazid","1-(9Z-hexadecenoyl)-2-hexadecanoyl-glycero-3-phospho-(1'-sn-glycerol)","Methyl (+)-7-isojasmonate","Deanol","(2S)-2-ammonio-3-[(carbamoylamino)oxy]propanoate","Fosfocreatinine","Dihydrojasmone","Dilaurylphosphatidylcholine","PC(P-18:0_20:4)","3-Hexenedioic acid","2,4,4,7-Tetramethylno,8-dien-3-one oxime","Norfenefrine","Ergothioneine","Ala-Ser","Tripropylamine","3-Methylglutaric acid","Monoglyceride citrate","1-Hexadecyl-2-octadecanoyl-sn-glycero-3-phosphocholine","Aminooxyacetic acid","Thr-Leu","2,5-Dimethyl-3(2H)-furanone","Succinic acid semialdehyde","Kynurenine","PC(P-18:1_20:0)","Arg-Leu","4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one","Flurprimidol","Alanine","N-Acetylputrescine","Tryptophan","6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole","His-Leu","Choline","Phenylmethanethiol","2,3-Dihydrobenzofuran","Pro-Tyr","Nicotinic acid","N-Carbamoylsarcosine","Carnitine C14:0","His-Cys","4-Amino-3-hydroxybutyrate","2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone","Carnitine C14:2","Carnitine C14:1","1-Methyl-3-(2-methyl-2-propenyl)-cyclopentane","Pov-pc","o-Tyrosine","3-Hydroxypalmitoylcarnitine","Phosphorylcholine","3-Methylindole","Glycyl-L-leucine","D-fructofuranose","Pro-Asn","1-Methylpyrrolinium","Phenobarbital","Timosaponin Bii","Cer(d18:1_24:1)","Irbesartan","2-Hydroxy-2-methylbutyric acid","Ser-Leu","(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodec2,6,8,10-tetraenamide","S-Methyl benzenecarbothioate","L-Methionine sulfoximine","4'-Methylacetophenone","2'-Deoxyadenosine","Gln-Phe","L-Name","Diazodiphenoquinone","Phthalic anhydride","LPC(O-18:0_0:0)","3,4-Dihydroxyhydrocinnamic acid","Leucine","Fosfomycin","Dihydrokavain","Leu-Ser","1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine","(E)-3-(4-sulfooxyphenyl)prop-2-enoic acid","LPC(0:0_20:4)","Epsilon-caprolactam","p-Aminobenzoic acid","(2S,3S)-2-amino-3-phenylbutanoic acid","Piperidine","Chlorphentermine",",,-Trimethyl-L-lysine","PE-NMe2(15:0_22:2)","Aminopentol","Arecaidine","Allyl methyl sulfone","2-(3-(1-(((4E,10E)-2,9-Dioxo-12-isopropyl-1,8-diazacyclododecane-4,10-diene-3-yl)carbamoyl)-2-methylpropyl)ureido)-3-methylbutyric acid","Trp-Asp","Xylitol","7-Amino-4-methylcoumarin","Pregnanetriol","2-Aminoacetophenone","5-Methoxytryptophol","Propiomazine","Enantio-PAF C-16","Thr-Phe","Fluoroacetic acid","L-Octanoylcarnitine","Riboflavin","3,3-Dimethylglutaric acid","Ile-Lys","(S1)-Methoxy-3-heptanethiol","2-Hydroxy-2-methylbutanenitrile","Coniferyl alcohol","Coumarinic acid","Limonene oxide","Quinoline","PC£¨18:0_20:4£©","2-Methylbenzoic acid",",-Dimethyladenosine","Chlorobenzene","Reboxetine","Lys-Val","PE-NMe2(22:1_14:0)","Anileridine","1,2-Didecanoyl-sn-glycero-3-phosphocholine","Phenol","1-Methyl-4-nitroimidazole","3-(6-Amino-9h-purin-9-yl)propanoic acid","2-((3-Aminopropyl)amino)ethanethiol","(9Z,11E,13S,15Z)-13-Hydroxyoctadec9,11,15-trienoic acid","Thiazole","3,6-Dimethoxy-19-norpregn1,3,5,7,9-pentaen-20-one","25-Methyl-21-tritriacontene-1,9,11-triol","Tetramethylammonium","N-Phenylleucine","m-Chlorobenzoic acid","1,2,4-Tris(methylene)cyclohexane","Butyrylcarnitine","Cerivastatin","Ureidopropionic acid","3-Ethylphenol","2-Hydroxyquinoline","1-Palmitoleoyl-3-vaccenoyl-sn-glycerol","2'-O-Methyladenosine","2-Propylphenol","1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine","4-Propylphenol","N-Acetyl-L-glutamate 5-semialdehyde","Miglitol","MG(21:0_0:0_0:0)","Methylcysteine","Dioleoylphosphatidylcholine","LPC(16:1_0:0)","Butopyronoxyl","Farnesol","Mycophenolate mofetil","Tetramethylammonium chloride","1D-myo-Inositol 3,4-bisphosphate","LPC(18:3_0:0)","PE-NMe(24:1_16:1)","N-Acetyl-L-methionine","Octafluorocyclobutane","4-Isopropylphenylacetaldehyde","Cartap","Cytochalasin B","Metominostrobin","Butane","1-Pentadecanoyl-glycero-3-phosphoethanolamine","2-Amino-3-prop-2-enylsulfinylpropanoic acid","Piracetam","Phenkapton","C22 Sphingomyelin","Hypotaurocyamine","Potassium acetate","Ifosfamide","2-Bromophenol","S-Phenylmercapturic acid","(-)-Salsoline","Homocitric acid","m-Xylene","4-Bromophenol","Daidzein 4'-O-glucuronide","Clostebol acetate","Tadalafil","Geneticin","2'-Adenylic acid","1-Methylguanine","Fenuron","D-Mannosamine","(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid","4-Amino-2-methylenebutanoic acid","Raloxifene","Guazatine","Cinoxacin","Glu-Phe","5-Methoxy-2-methylthiazole","Cysteine","2-Hydroxymyristoylcarnitine","2,6-Dimethylphenol","N-Acetylthreonine","Tetrahydrofurfuryl acetate","5-Methyl-2-furancarboxaldehyde","Nintedanib","Indole-3-carbinol","Geranylcitronellol","Phenethylamine","Fluoroacetamide","Isopentenyladenine","2H-1-Benzopyran-2-one, 7-(sulfooxy)-","SM(d17:1_24:0)","Kinobscurinone","Dolichyl phosphate D-mannose","Lauroyl diethanolamide","Obacunone","Aspartic acid","Cerulenin","3-Buten-1-amine","Gly-His","2-Chloro-1,4-naphthoquinone","LysoPC 18:1","N-(2-Methylpropyl)acetamide","Ile-Ser","1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","4-Acetyl-2-methylpyridine","Acetyl citrate","Chlordiazepoxide","1-Docosadienoyl-glycerol","3-Methylglutaconic acid","Acetylphosphate","2-Fluorobenzoic acid","4-Cumylphenol","N-lactoyl ethanolamine phosphate","2,5-Dihydropyridine","Vamidothion","3-Hydroxy-6,7,8-trimethoxy-2-naphthoate","1-Naphthylamine","3-(2-Methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-one","(2R,3S)-3,3',5-Trihydroxy-4',7-dimethoxyflavanone","Dihydroxyacetone phosphate acyl ester","3-Methyl-L-histidine","2-Octadecanoyl-sn-glycero-3-phosphocholine","Fomepizole","Urapidil","Phe-Pro","2-Methyl-1,3-cyclohexadiene","N-Jasmonoylisoleucine","Chromone","Spermidine","Triethylamine","Malonylgenistin","Isofraxidin","Dimethyl trisulfide","Menadiol diphosphate","2-Aminonaphthalene","Folinic acid","3-Oxalomalic acid","Leu-phe","PE-NMe2(13M5_11D3)","Lopinavir","Dihydrovaltrate","Ethyl 2-pyrrolecarboxylate","N,N-dimethylarginine","N-(2-Furoyl)glycine","1-O-Hexadecyl-2-acetyl-sn-glycerol","LPC(14:0_0:0)","1,2-d[-eicosenoyl]-sn-glycero-3-phosphocholine","Allothreonine","Hydroxybutyrylcarnitine","5-Aminoacenaphthene","Sweroside","Acetone cyanohydrin","Caffeyl alcohol","1,2-Dioleoyl-sn-glycerol","Tolmetin","Crotyl alcohol","Vanillylamine","4-Nitro-6-oxohept2,4-dienedioic acid","Acetylsalicylic acid","3-Methoxyanthranilate","Leiokinine A","Icaceine","Equol 4'-O-glucuronide","Octadecanamide","Ledol","Perillaldehyde","Benzimidazole","Acetophenone","Alprenolol","2-Hydroxypyridine","(23S)-23,25,26-trihydroxycalciol","Creatinine","O-Decanoyl-L-carnitine","5-(Aminomethyl)-2-methylpyrimidin-4-amine","Tyr-Lys","Acetyl-L-carnitine","Diuron","Pyridoxine","Methyl hexadecanoic acid","Pimelic acid","Carbazole","Sagecoumarin","Navenone B","DG(16:1_0:0_16:1)","PE-NMe2(20:1_15:0)","Doxefazepam","2-Phenylacetamide","N,N-Dimethylformamide","PE-NMe2(22:4_15:0)","N-Acetylleucine","4-phenylbutanic acid-O-sulphate","Fosfosal","PE-NMe2(11D5_9M5)","FAPy-adenine","3-hydroxypristanic acid","2-Pyridinemethanamine","Palmitic amide","2-(1-methyl-1H-imidazol-4-yl)acetic acid","Pregabalin","Propamocarb","2-Benzylmalate","Leu-Leu","2-Mercaptoethylguanidine","Betaine","Mitoxantrone","LPC(18:2_0:0)","Perindopril erbumine","Jasmonic acid","1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine","L-Tyrosine ethyl ester","isopentenyl adenosine","1-Aminocyclopropane-1-carboxylic acid","Homophenylalanine","3',4'-Dimethoxyacetophenone","AMT","Clopyralid","Enrofloxacin","1-Stearoyl-2-docosahexaenoyl-sn-glycerol","Crotanecine","4-(Aminomethyl)benzoic acid","Candoxatril","Indole-3-lactic acid","1-(4-Hydroxy-3-methoxyphenyl)-3-decanone","Isoquinoline","Shogaol","Methylarsonate","Hydroxyminaline","Hexadecasphinganine","Calafatimine","Dodecanoic acid","Norethindrone","Sulfanilic acid","¦Ã-Aminobutyric Acid","Malonyldaidzin","Val-Leu","Stealthin C","2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine","Sphinganine","4-Amino-7-chloroquinoline","Thiocyclam","Citiolone","PC(O-16:0_22:6)","1-Oxo-1H-2-benzopyran-3-carboxaldehyde","N-octanoylsphingosine 1-phosphate","6-hydroxytryprostatin B","Threoninyl-Cysteine","Nootkatone","Cinegalline","5-fluoroindole-2-carboxylic acid","20-hydroxy-PGF2alpha","Magnesium ascorbyl phosphate","Codeine","(¡À)-2-Methyl-3-(4-methylphenyl)propanal","4-Methylbenzyl alcohol","5-Megastigmen-7-yne-3,9-diol 3-glucoside","6-Imino-5-oxocyclohex1,3-dienecarboxylic acid","Pyrogallol-1-O-sulphate","2-Methylimidazole","Bacteriohopanetetrol","Robustadial A","Sulfate","Trimethyltridecanoic acid","Benzylamine","(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate","(3xi,5Z)-1,5-Octadien-3-ol","Etorphine","(2S,3S,4S,5R,6R)-6-{[(1S,2S,7R,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-4-[(2-sulfoethyl)carbamoyl]butan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid","(9Z,12S,13R)-12,13-Dihydroxy-9-octadecenoic acid","L-Homoserine","4-Aminopyridine","Xanthurenic acid 8-methyl ether","1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate","p-Synephrine","Glyc-Pro","Epoxycholesterol","4-Phenyl-2-butanol","Buprenorphine Glucuronide","4-Vinylguaiacol","Dipotassium hydrogen phosphate","3-Indoleacrylic acid","Lisinopril","1-Aminocyclohexanecarboxylic acid","PC(16:0_2:0)","Prolyl-cysteine","(2E)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile","Methionine","Cohibin D","Barbituric acid","N-lactoyl-phenylalanine","p-Coumaryl alcohol 4-O-glucoside","Styrene Oxide","3-Methoxypyridine","Chloral hydrate","Ethyl vanillin","Glycerophospho-N-Palmitoyl Ethanolamine","Ramifenazone","6-(2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid","Nevskin","7,8-Dehydro-3,4-dihydro-betionol","Dimethyl suberate","Geranyllinalool","Narciclasine","5,6,7,8-Tetrahydropterin-6-carboxylic acid","2,5-Piperazinedione","L-Norleucine","Faropenem sodium","N-Ethylacetamide","2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol","Nifuradene","Niacinamide","Glycidyl stearate","Serotonin","(+)-2,3-Dihydro-3-methyl-1H-pyrrole","3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","Securinine","Ferulic acid","2(5H)-Furanone","Chlorthiophos","Tetranitromethane","3-(Methylthio)propionic acid","Heptethylene glycol","5-Hydroxymethyl-2-furancarboxaldehyde","PE-NMe2(22:2_24:1)","1-Methyl-1,3-cyclohexadiene","Heterodendrin","2-Decylfuran","Pipericine","Pyributicarb","L-prolinamide","PE-NMe2(22:4_24:1)","o-Xylene","Ginkgotoxin","2,3-Diaminopropionic acid","Erythrocentaurin","Phytosphingosine","Oleoylcarnitine","Pentadecylamine","Lys-Trp","Methacholine","N-formylmaleamic acid","2-Acetylpyrazine","Etiocholanolone glucuronide","Isopentenyl pyrophosphate","3-Hydroxy-2-methyl-4H-pyran-4-one","Mibefradil","Hexylbenzene","Phenytoin catechol","3-Amino-3-(4-hydroxyphenyl)propanoic acid","12-Methyltridecanoic acid","Dihydrozeatin-O-glucoside","Glyceraldehyde-3-phosphate","Coumarin","PE-NMe2(22:5_14:0)","1-Piperideine","Triphenylene","Hypoxanthine","3,4,5-Trimethoxyphenol","Erucin","Triadimefon","Carnitine C16:2-OH","1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid","3-Hydroxy-2-(4-morpholinylmethyl)estr1,3,5(10)-trien-17-one","Septacidin","gammL-Glutamyl-gammL-glutamyl-L-methionine","2-Arachidonoylglycerol","Lpc(O-18:2(1Z,9Z))","F4-Neuroprostane (7-series)","Gly-Val-Tyr","L-Gulose","3-Hydroxy-alphmethyl-DL-tyrosine","8-Deoxylactucin","Glyceryl arachidonate","Oxindole","Oleoyl tyrosine","Tropine","Homocitrulline","Adenine","Glu-Ile","Leucyalanine","Thiram","L-Propargylglycine","Calcium;trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate","Lapachol","Noroxopluviine","2-Phosphoglycolic Acid","Inosine","(¡À)-1,3-Butanedithiol","Homocysteine","PC(O-16:0_20:3)","2-Pyrrolidinone","Metam-sodium","PE-NMe2(20:2_20:2)","3-Hydroxy-2,4-dioxopentyl phosphate(2-)","ISOPRENE","1,2,3,5-Tetrachloro-4-methoxybenzene","2-Aminoethylarsonic acid","1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide","Primaquine","Fertilysin","3,4-Dimethylbenzoic acid","2,4-Dinitroanisole","5-(2-Furanyl)-3,4-dihydro-2H-pyrrole","Firefly luciferin","Lys-Gly","Anserine","(S)-methylmalonate-semialdehyde","Valylcysteine","Gentian violet cation","1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine","Stigmatellin Y","4-Hydroxy-3-methoxyphenylacetic acid","N-Acetylproline","N-(Aminomethyl)urea","Soyasaponin I","Phosphoric Acid","Naphthalene","Thioridazine","Glycidol","Dihydrouracil","11E-Octadecenylcarnitine","N-Acetylhistamine","Ile-Ala","Rabeprazole thioether","1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine","Furan-2,5-dicarbaldehyde","Glycyl-L-tyrosine","2-Hydroxyvaleric acid","6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one","3-(Methylthio)propionaldehyde","4-Oxocyclohexanecarboxylic acid","(3beta,5alpha,13alpha,22alpha,25R)-3-hydroxyspirosolan-23-yl acetate","N-methyl-L-glutamic Acid","Picolinic acid","Levothroid","2-Phenoxyethanol","(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol","Pyroglutamic acid","Carnitine C17:0","Ecdysone","Betaine aldehyde","Pyridoxamine","Isopalmitic acid","Palmitoleoyl Ethanolamide","1-Stearoyl-2-arachidonoylglycerol","N-Methylnicotinamide","[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(11-methyldodecanoyloxy)propyl] 12-methyltridecanoate","2-Isopropylfuran","1-(3-Methyl-2-butenoyl)-6-apiosylglucose","Androsterone","h-gammGlu-leu-oh","4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside","13-Hpode","ADP-ribose","Val-ser","alphGlutamylaspartic acid","4-Heptyloxyphenol","(2E)-Decenoyl-ACP","Acetylcholine","Val-Lys","2,3,6-Trichlorobiphenyl","Leu-Gln","(-)-Norephedrine","CPA£¨18:0_0:0£©","Oroxylin A","Norsalsolinol","(Z)-1,3-Octadiene","3-Palmitoyl-sn-glycerol","1,2-Dioctanoyl-sn-glycero-3-phosphate","Naltriben","Cassine","Maculine","2-Methyl-3-oxopropanoic acid","Costunolide","Indole-3-acetamide","Allyl methyl sulfoxide","5-[(E)-heptadec-12-enyl]benzene-1,3-diol","5-Hydroxy-6-methoxyindole glucuronide","Nicotinamide N-oxide","3-Phosphoglyceric acid","N,N-dimethylsphingosine","Acetyllysine","LPC(20:2_0:0)","Oxolinic acid","Alanylproline","Benzaldehyde","N-Nitroso-pyrrolidine","Nepetalactone trans-cis-form","Miltefosine","Histamine","Bis(2-ethylhexyl) adipate","Bisabolol oxide A","Oxypurinol","Poloxamer-188","N-Methyl-D-aspartic acid","4,5-Dihydroxynaphthalene-2,7-disulfonic acid","phenyl 5-phospho-alphD-ribofuranoside","Methionine sulfoxide","Normetanephrine","Parabanic acid","trans-1-Phenyl-1-pentene","9,10-Epoxystearic acid","Dentatin","2-Amino-2-methyl-1,3-propanediol","Medroxyprogesterone","3-Isobutyl-1-methylxanthine","2-O-(alphD-glucopyranosyl)-D-glyceric acid","2-Aminobenzoic acid","MDAI","Pyrrolidine","Diallyl sulfide","Epinephrine","Benzoyl chloride","4-Chloro-L-phenylalanine","Toluene","Imidazoleacetic acid","Carnitine-2-methyl-C4","5-Oxoavermectin''1a'' aglycone","Psoralen","Etonogestrel","Valylproline","1-Palmitoleoyl-3-oleoyl-sn-glycerol","MG(18:0_0:0_0:0)","Leu-Gly","Daidzein"],"additional_accession":[]},"is_claimable":false,"name":"Untargeted metabolomics profiling of esophageal tissues from a rat model of reflux esophagitis treated with Shunwei Jiangni Decoction","description":"This dataset contains raw untargeted metabolomics data generated from esophageal tissue samples of rats in a reflux esophagitis (RE) model. The study aimed to characterize metabolic alterations associated with RE pathogenesis and to evaluate the regulatory effects of Shunwei Jiangni Decoction (SWJN), a modified traditional Chinese medicine formula derived from Banxia Xiexin Decoction. Male Wistar rats were divided into four groups: sham control (Control), RE model (Mod), SWJN low-dose (SWJN_L), and SWJN high-dose (SWJN_H). After 4 weeks of treatment, esophageal tissues were collected and subjected to untargeted metabolomics analysis using ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) in both positive and negative ion modes. Metabolite features were extracted and annotated using the XCMS package and public databases (HMDB, Metlin, and self-built libraries).
","dates":{"publication":"2026-04-10","submission":"2026-03-23"},"accession":"MTBLS14112","cross_references":{}}