Metabolite features were annotated after peak extraction and preprocessing. Feature annotation was based on accurate mass, retention time, isotope and adduct information, and MS/MS spectral matching when available. The processed feature table was used for metabolite structure annotation and downstream statistical analysis. Features with insufficient quality were removed during preprocessing, including features with more than 50% missing values and features with RSD greater than 50% in quality control samples.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hydrophilic-interaction-liquid-chromatography","Liquid Chromatography MS - negative - hydrophilic-interaction-liquid-chromatography"],"chromatography_protocol":["Chromatographic separation was performed using an HILIC method. For AB Sciex TripleTOF 6600 assays, samples were separated on an Agilent 1290 Infinity LC UHPLC system. For Thermo Scientific Orbitrap Exploris 480 assays, samples were separated on a Thermo Scientific Vanquish UHPLC system. A Waters ACQUITY UPLC BEH Amide column (1.7 um, 2.1 mm x 100 mm) was used. The column temperature was maintained at 25 C, the flow rate was 0.5 mL/min, and the injection volume was 2 uL. Mobile phase A consisted of water containing 25 mM ammonium acetate and 25 mM ammonium hydroxide, and mobile phase B was acetonitrile. The gradient was 95% B from 0 to 0.5 min, 95-65% B from 0.5 to 5 min, 65-40% B from 5 to 5.5 min, 40-95% B from 5.5 to 6 min, and 95% B from 6 to 8 min. Samples were kept at 4 C in the autosampler and analyzed in randomized order. Pooled QC samples were inserted throughout the analytical sequence to monitor system stability and data reliability.
"],"publication":["Early microbial and metabolic remodeling of the neovagina after laparoscopic peritoneal vaginoplasty in MRKH syndrome."],"submitter_affiliation":["Shantou University Medical College"],"submitter_name":["YUXUE WANG"],"organism_part":["vestibular dimple secretion","pooled vaginal/neovaginal secretion","neovaginal secretion"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Samples were thawed slowly at 4 C. An appropriate aliquot of each sample was mixed with precooled methanol/acetonitrile/water (2:2:1, v/v/v), vortexed, sonicated at low temperature for 30 min, incubated at -20 C for 10 min, and centrifuged at 14000 g for 20 min at 4 C. The supernatant was collected and vacuum dried. Before LC-MS analysis, the dried extract was reconstituted in 100 uL acetonitrile/water (1:1, v/v), vortexed, and centrifuged at 14000 g for 15 min at 4 C. The resulting supernatant was used for untargeted LC-MS metabolomics analysis. Pooled quality control samples were prepared by mixing aliquots from study samples and were used to monitor analytical stability.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14845"],"author":["Dan Xiong. Shantou University Medical College. sunny543@126.com.","YUXUE WANG. Shantou University Medical College. 564635712@qq.com."],"data_transformation_protocol":["Raw LC-MS data were converted to mzXML format using ProteoWizard MSConvert. The converted files were processed using XCMS for peak detection, peak alignment, retention time correction, and peak area extraction. Metabolite feature annotation was performed after peak extraction. Data preprocessing included removal of ion features with more than 50% missing values, missing value imputation using the KNN method, and filtering of features with relative standard deviation (RSD) greater than 50% in quality control samples. Quality control assessment was performed before downstream statistical analysis.
"],"study_factor":["Timepoint"],"submitter_email":["564635712@qq.com"],"sample_collection_protocol":["Preoperative vestibular dimple secretion samples (PRE) were collected before laparoscopic peritoneal vaginoplasty, and postoperative day 14 neovaginal secretion samples (P14D) were collected from the neovagina after surgery. All samples were obtained from patients with Mayer-Rokitansky-Kuster-Hauser (MRKH) syndrome using sterile collection procedures, transferred into sterile tubes, and stored at low temperature until untargeted LC-MS metabolomics analysis. Pooled quality control samples were prepared by combining aliquots from study samples and were inserted throughout the analytical sequence to monitor system stability and data reliability.
"],"omics_type":["Metabolomics"],"study_design":["Agilent 1290 Infinity LC UHPLC","biological sample","Metabolomics","Thermo Scientific Vanquish UHPLC","untargeted analysis","Liquid chromatography-mass spectrometry","pooled vaginal/neovaginal secretion","quality control sample","Homo sapiens","neovaginal secretion","Thermo Scientific Orbitrap Exploris 480","Mayer-Rokitansky-Kuster-Hauser syndrome","vestibular dimple secretion","XCMS","AB SCIEX TripleTOF 6600"],"curator_keywords":["Agilent 1290 Infinity LC UHPLC","biological sample","Metabolomics","Thermo Scientific Vanquish UHPLC","untargeted analysis","Liquid chromatography-mass spectrometry","pooled vaginal/neovaginal secretion","quality control sample","Homo sapiens","neovaginal secretion","Thermo Scientific Orbitrap Exploris 480","Mayer-Rokitansky-Kuster-Hauser syndrome","vestibular dimple secretion","XCMS","AB SCIEX TripleTOF 6600"],"mass_spectrometry_protocol":["Mass spectrometry was performed using electrospray ionization in both positive and negative ion modes. For AB Sciex TripleTOF 6600 assays, MS data were acquired on an AB Sciex TripleTOF 6600 Q-TOF mass spectrometer. Source parameters were Gas1 60, Gas2 60, curtain gas 30 psi, ion source temperature 600 C, and ion spray voltage +/-5500 V. The MS1 scan range was m/z 60-1000 with an accumulation time of 0.20 s/spectrum. The MS/MS scan range was m/z 25-1000 with an accumulation time of 0.05 s/spectrum. Information-dependent acquisition was performed in high-sensitivity mode with declustering potential +/-60 V, collision energy 35 +/- 15 eV, isotope exclusion 4 Da, and 10 fragment spectra collected per scan.
For Thermo Scientific Orbitrap Exploris 480 assays, MS data were acquired on a Thermo Scientific Orbitrap Exploris 480 mass spectrometer. Source parameters were Gas1 50, Gas2 2, ion source temperature 350 C, spray voltage 3500 V in positive ion mode, and spray voltage 2800 V in negative ion mode. The MS1 scan range was m/z 70-1200 with a resolution of 60000 and an accumulation time of 100 ms. MS/MS data were acquired using a segmented acquisition method over m/z 70-1200 with a resolution of 60000, an accumulation time of 100 ms, and a dynamic exclusion time of 4 s.
"],"metabolite_name":["Staurosporine","2(1h)-pyridinone","Solanidine","Morphine n-oxide","N-(octadecanoyl)sphing-4-enine-1-phosphocholine","2,3-diethylpyrazine","1-o-octadecyl-sn-glyceryl-3-phosphorylcholine","Stearoyl ethanolamide","Butamifos","Pantothenol","Methapyrilene","L-Histidine","5-methylbenzotriazole","N-(omega)-Hydroxyarginine","4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol","Ile-thr","(-)-quebrachitol","DL-proline","Thymoquinone","D-erythro-sphingosine-1-phosphate","Amphetamine","4-androsten-17.beta.-ol-3-one glucosiduronate","2,2,6,6-tetramethyl-4 piperidone","Lupinine","Diphenamid","3-cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1h,3h)-dione","Brassicasterol","Ipratropium","Lipoxin a4","Cyclohexylamine","Tributylphosphine oxide","Norgestimate","Pilocarpine","L-Pipecolic acid","Myristoyl-l-carnitine","(-)-caryophyllene oxide","Arginine","Eurycomalactone","2-aminoacetophenone","Cinosulfuron","3-hydroxybutyrylcarnitine","Boldione","Myxalamid b","Cyhalothrin","5-androstene-3.beta.,17.beta.-diol","Leucylleucine","4-hydroxymandelonitrile","1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-n,n-dimethyl","4-hydroxy-3-methoxybenzyl alcohol","N6-Methyl-L-lysine","L-carnitine","Tetrabenazine","Fexofenadine","Maltopentaose","(5.alpha.)-androstane-3,11,17-trione","N-lauroyl-d-erythro-sphinganine","Isophorone",".epsilon.-caprolactam","Oleamide","2-aminobenzimidazole","Methylergonovine","Heliotrine","Aflatoxin g2","Lidocaine","Cyazofamid","Proscillaridin a","Moxonidine","DL-arginine","Anthranilic acid (Vitamin L1)","Ritonavir","Solanidine base + o-hex-hex","Xanthurenic acid","Sialyl lewis x","5-methoxydimethyltryptamine","Fucosterol","Aflatoxin b2","Acetylglycine","Octaethylene glycol","1,2-dioleoyl-sn-glycero-3-phosphatidylcholine","Icariin","Brucine","Crustecdysone","N-hexanoyl-l-homoserine lactone","Gln-pro","Chymostatin","Pyraclonil","Dihydrotachysterol","Benzyl alcohol","Rutinose","1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine","A-methylserine","Alprazolam","Methylguanidine","2-oxo-5-(3,3-dimethylguanidine-1-yl)pentanoic acid","L-saccharopine","1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine","Metformin","Phe-gly","Ornithine","Azamethiphos","Dimethylallyl pyrophosphate","5-pregnen-3.beta.-ol-20-one","5-aminovaleric acid","Tepraloxydim","L-glutarylcarnitine","Dextromethorphan","D-ornithine","3,7-Dimethyluric acid","5-androsten-3.beta.,16.alpha.-diol-17-one","Fumonisin b1","Coniine","6-methyl-2-thiouracil","hydrocortisone 21-acetate","Mitraphylline","Fumonisin b2","N,n-dimethylguanosine","Dendrobine","Pseudopelletierine","Leupeptin","Sulfasalazine","Venlafaxine","N.epsilon.-methyl-l-lysine","Tylosin","Gln-arg","Aminoalbendazole sulfone","Doxepin","Adenosine","4-nitrophenol","Thyrotropin-releasing hormone","Lanatoside c","Mexiletine","Cyclopiazonic acid","4-imidazoleacrylic acid","Guanidoacetic acid","Pterostilbene","Gln-asn","Matairesinol","Lobelanidine","Dibucaine","Cis-11,14-eicosadienoic acid","Prallethrin","Dauricine","DL-threonine","Betonicine","Peimine","Stearidonic acid","5-Methylcytosine","Argatroban","2-hexenal","Schisandrin b","6-hydroxymelatonin","Isoproterenol","2-arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","4-hydroxyquinoline","5.beta.-androsterone","4-piperidinecarboxamide","PC(16:0/16:0)","Sphingosine","Minocycline","Calcimycin","2'-hydroxy-4'-methoxyacetophenone","1,3-diaminopropane","2-amino-2-methyl-1,3-propanediol","Isomenthone","1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphocholine","Tetrandrine","N-phenyl-1-naphthylamine","N-acetyl-d-galactosamine","Telmisartan","2-chloro-2',6'-diethylacetanilide","Psychosine","Buprenorphine","Acetaminophen","2-isopropoxyphenyl n-methylcarbamate","5-methylcytosine","L-kynurenine","Linoleoylcarnitine","Metconazole","Cabergoline","Phenylacetaldehyde","Astragaloside ii","Trehalose","Bispyribac","Bufotalin","Guanine","Meperidine","N,n-diethylcathinone","Trihydroxycholestanoic acid","Nivalenol","Rifampicin","S-methyl-5'-thioadenosine","Udp-n-acetylglucosamine","Lontrel","Dihydroberberine","2-amino-1-phenylethanol","Isosafrole","Eriodictyol","Siduron","Paroxetine","Lupenone","Flunisolide","L-propionylcarnitine","1,3-Diaminopropane","Atrazine desisopropyl","1-methyladenosine","Vasicine","Myriocin","Norcodeine","Docosanamide","Trans-ferulic acid","Tris(hydroxymethyl)aminomethane","Atrazine","Gyromitrin","9-oxo-11-(3-pentyl-2-oxiranyl)-10e-undecenoic acid","1,2-dioleoyl-sn-glycero-3-phospho-l-serine","N-acetylputrescine","N-acetylglutamine","Trans-4-(aminomethyl)cyclohexanecarboxylic acid","Veratramine","Zolmitriptan","7-keto-8-aminopelargonic acid","2-Ethoxyethanol","Milrinone","Dimethachlon","Pravastatin","Glycocholic acid","Zingerone","Chenodeoxycholate","Glycocholate","Ranolazine","1-(1z-octadecenyl)-sn-glycero-3-phosphocholine","1,2-dioctadecanoyl-sn-glycerol","Simetryn","Dipropyl phthalate","Indole-3-carboxaldehyde","Stachyose","Ala-Pro","Glutethimide","(+)-pseudoephedrine","N-acetylneuraminic acid, 2,3-dehydro-2-deoxy-","4-hydroxyphenylethanol","Esculetin","Eddp","2-amino-9h-pyrido[2,3-b]indole","2'-Deoxyadenosine 5'-monophosphate (dAMP)","DL-isoleucine","Zaleplon","Oxyacanthine","Hydroquinone","O-acetyl-l-serine","Wogonin","Guanidinopropionic acid","Guanidinoethyl sulfonate","L-Glutamate","Asiatic acid","Cafestol","3-methylthiopropylamine","Genistein","Pyrimethanil","Dl-2,4-diaminobutyric acid","Testosterone enanthate","Hinokiflavone","His-Lys",".alpha.-cyperone","Pymetrozin","5.alpha.-androstan-3.beta.-ol","1,2-dieicosenoyl-sn-glycero-3-phosphocholine","Lithocholylglycine","Hydrocortisone 21-hemisuccinate","Farrerol","7-methylguanine","13-keto-9z,11e-octadecadienoic acid","Fosinopril","Dihydromorphine","O-anisidine","Ergocristine","16-Hydroxypalmitic acid","Taurine","Diafenthiuron","Trans-cinnamic acid","Tropacocaine",".alpha.-L-Glu-Gly","Geldanamycin","2,4-diaminotoluene","Trans-androsterone","L-Threonine","Cyclopamine","Nelfinavir","1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","1-stearoyl-2-linoleoyl-sn-glycerol","Andrographolide","Agmatine","N-methyltryptamine","Nodakenin","Myristoleic acid","Epothilone b","Trigonelline","Isoliquiritigenin","Vinblastine","Palmitoylserinol","Angiotensin iii","Acetohexamide","Phentermine","Secbumeton","N-Acetyl-D-glucosamine","Stylopine","Danazol","Ajmalicine","Pentoxifylline","Prometon","(-)-atropine","Forskolin","L-aspartic acid","5-methyl-2'-deoxycytidine","7-Methylguanosine","2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","Solanidine base + o-hex-dhex","Conessine","2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserine","Dibenz(a,j)acridine","Artemisinin","Medicarpin","Fenfluramine","17alpha-hydroxyprogesterone","DL-glutamine",".alpha.-ergocryptine","N-tetracosenoyl-4-sphingenine","Orlistat","Triethanolamine","N-acetylcadaverine","1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)","Oleoyl-l-carnitine","O-phenylphenol","1-stearoyl-2-docosahexaenoyl-sn-glycerol","Neohesperidose","Phenylalanine","1-Myristoyl-sn-glycero-3-phosphocholine","Cholesterol","Famotidine","Testosterone","Psoralidin","Sorbitane monostearate - polysorbate 60 in-source fragment","Vernolate","Zeta-carotene","19-hydroxytestosterone","Hydroxyitraconazole","Trifloxystrobin","Myosmine","2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine","Baccatin iii","Ellipticine","Tryptamine","Pepstatin a","Mycophenolic acid",".delta.-tocotrienol","2-hydroxyestradiol","Solanine","Morphine","N-acetylhistamine","Creatine","Cytidine 5'-monophosphate","Chlorzoxazone","N-desbutylbupivacaine","Gamma-glutamylleucine","Behenic acid","NG,NG-dimethyl-L-arginine(ADMA)","Cytosine","Dihydrojasmonic acid","Phenaceturic acid","2,4-diamino-6-nitrotoluene","Auranofin","Ethosuximide","Sumithrin","4-hydroxy-l-phenylglycine","2-Phenylbutyric acid","Guanidinosuccinic acid","Erythromycin","Bisoprolol","3-methylhistidine","Arachidonoylserinol","Simazine","1-oleoyl-sn-glycero-3-phosphoethanolamine","Sulfallate","Carvedilol","Metribuzin","Hirsuteine","2-furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-","Bisphenol a diglycidyl ether","4-amino-2,6-dinitrotoluene","Trillin","Tralkoxydim","Nicotine","5-aminoimidazole-4-carboxamide","Ethirimol","Desmosterol","1,4-d-xylobiose","Apigenin 7-glucoside","1,2-dipalmitoleoyl-sn-glycero-3-phosphocholine","2-pyrrolidinone, 1-methyl-","Disopyramide","1-Stearoyl-2-arachidonoyl-sn-glycerol","Salannin","Diacetoxyscirpenol","Indinavir","N-acetyl-.beta.-d-mannosamine","Piperanine","Harmaline","Zerumbone","2-o-rhamnosylvitexin","N2-Acetyl-L-ornithine","(3r,7r,9s,10s,12s,13r,14s,17r)-17-((2r)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol","Acetamiprid","Gln-thr","Fludarabine","Cdp-ethanolamine","Phenanthridine","Pyridaben","Dimethylglycine","Pro-Trp","DL-Glutamic acid",".gamma.-l-glu-.epsilon.-l-lys","N-acetyl-d-lactosamine","4-cholestenone","Chitobiose","D-glucosaminic acid","2-piperidone","4-phenylpyridine","Histidine","Lnt","Convallatoxin","Diethylstilbestrol","Validamycin a","Stearamide","Tyramine","Metyrapone","Pyraflufen-ethyl","Trinexapac-ethyl","Ne-acetyllysine","Deoxyadenosine","Sufentanyl","1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine","Epigallocatechin gallate","Melezitose","Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-","Glycerophosphocholine","Senkirkin","3-methyladenine","Diethyl phthalate","DL-phenylalanine","Ergothioneine","Glimepiride","1-Aminocyclopropanecarboxylic acid","(+)-.gamma.-tocopherol","Ethionamide","Norharmane","Retrorsine n-oxide","7-ethoxyresorufin","Phencyclidine","Nizatidine","Microcystin lr","Cinobufotalin","2-methoxyestradiol","Kynurenine","Cynarin","Diethylcarbamazine","Cholecalciferol (Vitamin D3)","4-nitroanisole","Alanine","Cordycepin","Pramoxine","L-Glutamine","Nobiletin","His-Leu","Choline","Schizandrin","N,n-diethyl-2-aminoethanol","N-carboxyethyl-.gamma.-aminobutyric acid","Glu-Lys","1h-1,2,4-triazol-3-amine","Isosakuranetin","N-alpha-acetyl-l-lysine",".delta.-hexalactone","1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine","Homatropine","O-succinyl-l-homoserine","Cis-7,10,13,16,19-docosapentaenoic acid","Ametryne","Lsd","N.epsilon.-acetyl-l-lysine","Betulin","Glufosinate","Docetaxel","1-deoxynojirimycin","L-pipecolic acid","Phosphorylcholine","1,2-dioleoyl-sn-glycero-3-phosphoethanolamine","Chlormadinone acetate","1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine","3-dehydrocarnitine","4,6-dioxoheptanoic acid","Fluphenazine","N-nervonoyl-d-erythro-sphingosylphosphorylcholine","Solasodine","Echimidine","N-acetyl-d-glucosamine","Phyllanthin","Marrubiin","Procaine","2'-deoxyinosine","1-amino-1-cyclopentanecarboxylate","His-Tyr","Nordihydrocapsaicin","Leucine","7-diethylamino-4-methylcoumarin","Evodiamine","Citalopram","1-methyl-l-histidine","1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, 4,11-diethyl-4,9-dihydroxy-, (4s)-","Mifepristone","Curcumin","Piperidine","4-androstene-11.beta.,17.beta.-diol-3-one","N-acetylglucosamine","6-benzylaminopurine","Gln-phe","Atazanavir","2-aminoadipic acid","N-lauroyl-d-erythro-sphingosylphosphorylcholine","Arecaidine","Dethiobiotin","10-nitrooleic acid",".beta.-estradiol 3,17-dipropionate","Phosphocholine","Benz[a]anthracene","Androstane-3,17-diol, (3.beta.,5.alpha.,17.beta.)-","Linolenic acid","Mandelonitrile","Sulfathiazole","Gln-Ala","Tebutam","4,4'-thiodianiline","Acenapthylene","Lauric acid diethanolamide","1-O-Octadecyl-sn-glyceryl-3-phosphorylcholine","L-bunolol","Pyocyanin","Prostaglandin h2","Riboflavin","Ergocalciferol (Vitamin D2)","Tributyl phosphate","1-methylxanthine","4-anisaldehyde","Dictamine","Ethylenediaminetetraacetic acid","Aspartame","Prostaglandin f1.alpha.","Stearoylcarnitine","Heptanoic acid","5-methoxytryptophol","Thalidomide","Cys-gly","Triflumuron","D-glucosamine 1-phosphate","Hydroxyflutamide","Trichothecine","2-octenoic acid, (e)-","L-Proline","Urea","DL-tryptophan","Ampicillin","Hederagenin base + o-hexa-hex","Myclobutanil","Ingenol","Fumagillin","L-Aspartyl-L-phenylalanine","Tetraethylene glycol monomethyl ether","Dicyclohexylamine","L-methionine","1,2,3-benzenetriol","Patchouli alcohol","Ginkgolide b","L-Asparagine","Phenyl phosphate","Thapsigargin","N,n'-diacetylchitobiose","1-arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine","Glu-Arg","Glutaric acid","Dicyclomine","Estriol","1,2-di(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine","Isoalantolactone","3-phenylazopyridine-2,6-diamine","20-hydroxycholesterol","5.beta.-pregnane-3.alpha.,17.alpha.,20.alpha.-triol","Schizandrin a","N-octanoyl-l-homoserine lactone","Melamine","Anastrozole","Miglitol","Decanoyl-l-carnitine","17alpha-ethynylestradiol","Fenpropidin","all cis-(6,9,12)-Linolenic acid","1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine","L-homoarginine","Linoleyl carnitine","1,3-propanediol","Triethylenetetramine","Thiacloprid","Butorphanol","Guanosine","Ribothymidine","Trimethoprim","1-naphthaleneacetamide","4-methylumbelliferyl .beta.-d-glucuronide","Crotonoside","Cartap","Ethiofencarb sulfone","Tillam","Primin","N,n-dimethylsphingosine","Glu-Ala","Octanoylcarnitine","1,2-ditetradecanoyl-sn-glycero-3-phosphocholine","G-guanidinobutyrate","Buspirone","DL-cysteine","Formetanate","Candesartan cilexetil","Imatinib","Arenobufagin","Biliverdin","1,2-dilauroyl-sn-glycerol","4-hydroxybenzyl alcohol","Sipeimine","Loganin","Cytochalasin a","1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine","Cytochalasin b","Palmitoyl sphingomyelin","Memantine","Flumethasone pivalate","Sulfamethazine","Penicillic acid","Flonicamid","Cyproconazole","Enterodiol","N-nitrosopyrrolidine","Pindolol","Trans-zeatin","1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine","Juglone","Coproporphyrin i","Cymarin","2-Hydroxyadenine","N-myristoylsphinganine","Bullatine g","Puromycin","N-oleoyl-d-erythro-sphingosylphosphorylcholine","Beclomethasone","Gestrinone","D-xylose","Pyroquilon","Decanal","Emetine","Diethanolamine","Obacunone","Kitasamycin","1,2-di-(9z,12z,15z-octadecatrienoyl)-sn-glycero-3-phosphocholine","Swainsonine",".gamma.-aminobutyric acid","Catalposide","Glycochenodeoxycholate","Tomatidine","Galanthamine","Cycloheximide","L-Tyrosine","Acetylcarnitine","Dihydroconiferyl alcohol","Argininosuccinic acid","Glu-Trp","Phorbol 12-myristate 13-acetate","3,4-dihydroxy-l-phenylalanine","Diboa","Propentofylline","Benzothiazole, 2-methylmercapto-","Trihexyphenidyl","Trachelanthine","Guanabenz","3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonate","1-(1z-octadecenyl)-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine","Cortexolone","Spermidine","Disulfiram","1-phenylethanol","3-hydroxybenzoic acid","2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic aci","(-)-riboflavin","Phe-pro","Asulam","Lopinavir","Spectinomycin","Arctiin","Norfloxacin","Urocanic acid","1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine","Propionylcarnitine","Dioctyl phthalate","Amentoflavone","2,3-dinor-8-isoprostaglandin-f2.alpha.","Maprotiline","3-methyl-2-buten-1-ol","Polygodial","Perindopril","Trimethylamine n-oxide","Neburon","Valsartan","Pheniramine","Gibberellin a4","Nefazodone","Zearalenone","L-rhamnose","Tetraethylene glycol","Lauroyl-l-carnitine","Irisflorentin","1-palmitoyl-2-oleoyl-sn-glycerol","1-octadecyl lysophosphatidic acid","Benzimidazole","Perillaldehyde","(-)-norephedrine","Alprenolol","Dimethyl sulfone","5-methyl-5,6-dihydrouracil","Octhilinone","Oleandrin","Prosulfocarb","Creatinine","Dexpanthenol",".alpha.-ionone","3-Aminobutanoic acid","Pyridoxine","Trans-zeatin-riboside","N-.alpha.-acetyl-l-ornithine","Diacetyl","L-tryptophanamide","Cyproheptadine","Trimethylamine","Oxethazaine","5-Aminopentanoic acid","N-palmitoyl-d-sphingosine","Stachydrine",".gamma.-undecalactone","11-oxoandrosterone","Palmitoleoyl ethanolamide","Hexaethylene glycol","Thiabendazole","4-hydroxyphenethyl alcohol","Malonyl-l-carnitine",".beta.-d-glucose","Theobromine","Steviol","Ginsenoside rh2","1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)","Bilirubin","Propamocarb","Cinobufagin","Gamma-glu-glu","Urobilin","1,2-diarachidonoyl-sn-glycero-3-phosphocholine","Betaine","C16 lactosyl ceramide (d18:1/16:0)","D-erythro-imidazolylglycerol phosphate","3-methoxytyramine","3'-hydroxyrepaglinide","Jasmonic acid","Gomisin c","Hesperetin","D-Alanyl-D-alanine (D-Ala-D-Ala)","2'-Deoxy-D-ribose","Enrofloxacin","Cytidine","3-methylxanthine","Borrelidin","3-methylglutarylcarnitine","Glu-Asn","Tryptophan betaine","3-amino-2,3-dihydrobenzoic acid","Atorvastatin","4-quinolinecarboxylate","3,4,5-trimethoxycinnamic acid","Homostachydrine","L-Lysine","3-hydroxybenzyl alcohol","Morphine-3-glucuronide","Bupirimate","Dioxacarb","N-(8z,11z,14z-eicosatrienoyl)ethanolamine","Alfentanyl","2-linoleoylglycerol","4-methylbenzyl alcohol","1-Methylhistidine","Hydrocortisone","Caffeate","Econazole","Genipin","Uridine 5'-diphosphate","Piperonyl sulfoxide","Hydrocotarnine","Palmitamide","Phytolaccasaponin G","Strychnine","Trioxsalen","(+)-6-aminopenicillanic acid","Cadusafos","Glutathione, oxidized","Metoprolol","Sphingomyelin (d18:1/18:0)","Capsorubin","1-o-hexadecyl-2-o-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine","Mefenoxam","Hexanoyl-l-carnitine","Esfenvalerate","Nudifloramide","Arachidonyl trifluoromethyl ketone","Pirimiphos-ethyl","19-hydroxyandrost-4-ene-3,17-dione","4-imidazoleacetic acid","2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine","S-allyl-l-cysteine","L-Aspartate","Ethisterone","5-acetylamino-6-amino-3-methyluracil","5-methyluridine","N-(phenylacetyl)-l-phenylalanine","Naringenin","3'-galactosyllactose","Digoxin","Ephedrine","Ala-Val","Dapsone","Orsellinic acid","Glutaraldehyde","Gamma-l-glutamyl-l-glutamic acid","L-Saccharopine","Xylometazoline","N-Formylmethionine","Indole-3-acetonitrile","Cytidine 5'-diphosphocholine","1,2-dipentadecanoyl-sn-glycero-3-phosphoethanolamine","Picrotin","Podofilox","Anabasine","Ng,ng-dimethyl-l-arginine","Castanospermine","Leukotriene f4","Pentamidine","Flindersine","Albiflorin","N-desmethyltapentadol","Caldine","12-hydroxydodecanoic acid","1,2-dimyristoyl-sn-glycero-3-phospho-l-serine","Gabapentin","Podophyllotoxin","Roridin a","6'-sialyl-n-acetyllactosamine","5.beta.-androstan-3.alpha.-ol-11,17-dione","Ethyl glucuronide","(3.beta.,5.alpha.)-4,4-dimethylcholesta-8,14,24-trien-3-ol","Citrinin","Methoxsalen","Benthiavalicarb-isopropyl","Hyperforin","L-citrulline","Daunorubicin","Resiniferatoxin","Lincomycin","L-Norleucine","Dfplnnh","Cnicin","Dl-normetanephrine","DL-valine","Pyridate","Niacinamide","Cis-13-eicosenoic acid","Succinylcholine","Nordihydroguaiaretic acid","7.alpha.-hydroxy-4-cholesten-3-one","Osthole","Benzalkonium chloride (c12)","Hc toxin","13-oxoode","Flutamide","2,4-dihydroxybenzophenone","Leukotriene c4","Molinate","N-Acetylmannosamine","Hexylamine","N-(dodecanoyl)sphing-4-enine-1-phosphate","Evodin","3',5'-dimethoxy-3,5,7,4'-tetrahydroxyflavone","Acetol","N-3-hydroxyoctanoyl-l-homoserine lactone","Erythrodiol","Harmine","Gossypol","Ginkgotoxin","7-methylguanosine","2,6-di-tert-butyl-4-hydroxymethylphenol","Acetyleugenol","Phytosphingosine","Pro-hyp","Butyl oleate","Fenpropimorph","Propranolol","D-sorbitol","Tyrosine","4-hydroperoxy-2-nonenal","Resmethrin","Rhaponticin","1-palmitoyl-sn-glycero-3-phosphocholine","Hypoxanthine","Phenyllactic acid","1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine","Amarogentin","L-Arginine","Methimazole","D-glutamine","Adenosine 2'-monophosphate","alpha-Linolenic acid","Androstan-3-ol-17-one 3-glucuronide","3-Aminosalicylic acid","1-oleoyl-sn-glycero-3-phosphocholine","Butylate","Phenylethylamine","Decursinol","Hypaconitine","N-stearoylsphinganine","Ergosine","Scoulerine","L-homocitrulline","Cytarabine","1,2-dioleoyl-sn-glycerol","L-Cysteine","N6,N6,N6-Trimethyl-L-lysine","Tomatidin","Phenylacetyl-l-glutamine","Nicotinate d-ribonucleotide","Tropine","Gardenin b","Adenine","Amino-2-propanol","Enoxacin","Glu-Ile","N-acetyl-l-tyrosine","2-arachidonoylglycerol","Cortisone","3-hydroxyanthranilic acid","1-Stearoyl-sn-glycerol 3-phosphocholine(LPC(18:0))","Isobutyric acid","DL-leucine","Wortmannin","Isocarbamid","Enalaprilat","Cocaine","Quinacrine","4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol","1-naphthaldehyde","Gartanin","(2e,4e)-hexa-2,4-dienoic acid","Ouabain","Cucurbitacin i","Cholic acid","2'-O-methyladenosine","Histidinol","Cucurbitacin e","Carnosol","Cucurbitacin b","Benzoylecgonine","Cellobiose","Pirimicarb","Melibiose","Anserine","DL-3-Hydroxybutyric acid","Coniferyl aldehyde","Methotrexate","Pantethine","Clothianidin","Caffeine","Geniposidic acid","Maltotriose","Aconine","Dichlormid","Aconitine","Sebacic acid","4-methyl-1h-pyrazole","Acridine orange","Thioridazine",".beta.-sitosterol","Antipyrine","Methyldopa","Flavine mononucleotide","Nicotinamide","Threitol","Metronidazole","Tigecycline","Theophylline","Iridin","Testosterone decanoate","Veratridine","Oleic acid methyl ester","Gambogic acid","Jacobine","Dimethyl phthalate","2-docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","1-myristoyl-sn-glycero-3-phosphocholine","Dodemorph","S-adenosyl-l-homocysteine","Antheraxanthin","3-aminohexanoic acid","Betaine aldehyde","O-acetyl-l-homoserine","Nisoldipine","2`-methylacetanilide","S(-)-cathinone","Isomaltose","Flavanole base + 2o, 2prenyl","4-nitrosodiphenylamine","EDTA","7-amino-4-methylcoumarin","L-palmitoylcarnitine","Protriptyline","Picloram","N-octadecylamine","Isopropalin","Azatadine","Mefenamic acid","N-Acetyl-L-alanine",".gamma.-hexalactone","Acetylcholine","Penitrem a","Adenosine 5'-monophosphate","Camptothecin","Fluorene","2-oleoyl-1-palmitoyl-sn-glycero-3-phosphoserine","Prednisolone 21-acetate","2,6-dimethoxyphenol","Dibutyl phthalate","3-acetylindole","Sofalcone","Diphenylamine","Sorbitane monopalmitate - polysorbate 40 in-source fragment","Glu-Thr","2-aminophenol","Chlorothiazide","Arcaine","Terbutaline","Indole-3-acetamide","Furmecyclox",".beta.-Cyano-L-alanine","10-deacetylbaccatin iii","2-pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-n-methyl-","1,5-diaminonaphthalene","1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","3-(2-hydroxyethyl)indole","Chrysosplenetin","Estriol 16alpha-(beta-d-glucuronide)","Valganciclovir","Deoxycorticosterone acetate","Indole-3-acetaldehyde","Lathosterol","Cidofovir","Maltose","L-hydroxyarginine","Indalone","Bufalin","Methyl jasmonate","Histamine","1-methylhistamine","Orcinol","Picrotoxinin","(r)-butyrylcarnitine","Ophiobolin a","Methionine sulfoxide","Pterine","N,n,n-trimethyllysine","Oxycodone","3-methyl-l-histidine","Oxazepam","(-)-(3s)-3-hydroxyquinine","N-methyl-l-alanine","Senecionine","Byakangelicol","Lappaconitine","Bromodiphenhydramine","1-heptadecanoyl-sn-glycero-3-phosphocholine","1-docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine","1-acetylimidazole","5alpha-pregnan-3,20-dione","3,3'-dimethyl-4,4'-diaminodiphenylmethane","Pyrrolidine","Quinolinate","Anemonin","Diallyl sulfide","Diethyltoluamide","Albizziin","DL-serine","Vindesine","L-canavanine","Nicotinate","1,2-di-(9z-tetradecenoyl)-sn-glycero-3-phosphocholine","Terfenadine","Phosphocreatine","Imazethapyr","N-acetylhistidine","Anisomycin","D-fructose 6-phosphate","6,7-dimethylesculetin","2-methylamino-1-(3,4-methylenedioxyphenyl)propan-1-one","Herbimycin a","2-hydroxy-4-methoxybenzophenone","5-hydroxyvalproic acid","Daidzein","DL-Methionine sulfoxide"],"additional_accession":[]},"is_claimable":false,"name":"Early microbial and metabolic remodeling of the neovagina after laparoscopic peritoneal vaginoplasty in MRKH syndrome","description":"This integrated multi-omics study investigated early microbial succession and metabolic remodeling of the neovagina in patients with Mayer-Rokitansky-Kuster-Hauser (MRKH) syndrome after laparoscopic peritoneal vaginoplasty. Preoperative vestibular dimple samples (PRE) and postoperative day 14 neovaginal secretion samples (P14D) were collected and analyzed using untargeted UHPLC-Q-TOF metabolomics, 16S rRNA gene sequencing, and fluorescence quantitative PCR for sexually transmitted infection detection. The metabolomics component aims to characterize biochemical changes associated with early neovaginal epithelialization and to explore microbiota-metabolite associations during postoperative microenvironmental remodeling.","dates":{"publication":"2026-06-30","submission":"2026-06-24"},"accession":"MTBLS14845","cross_references":{"HMDB":["HMDB0028819","HMDB0062770","HMDB0002780;C06562","HMDB0012097","HMDB0005780","HMDB0011460","HMDB0011339","HMDB0011352","HMDB0137236;C10494","HMDB0010407","HMDB0005779","HMDB0001213;C11437","HMDB0012108","HMDB0062325","HMDB0011729","HMDB0003099;C16359","HMDB0007982","HMDB0007973","HMDB0010381","HMDB0010384;C04230","HMDB0011130","HMDB0008994","HMDB0008038","HMDB0002107;C01606","HMDB0012330","HMDB0007865","HMDB0010159","HMDB0010565","HMDB0010564","HMDB0012378","HMDB0002712;C07326","HMDB0013633;C14807","HMDB0004702","HMDB0006294;C18218","HMDB0000374;C01176","HMDB0000403","HMDB0001864;C00902","HMDB0008928","HMDB0011723","HMDB0010163","HMDB0000225;C00322","HMDB0012141;C04272","HMDB0005998;C14748","HMDB0004026;C05485","HMDB0001032;C04555","HMDB0000387","HMDB0000428","HMDB0000754","HMDB0001954;C20793","HMDB0001490;C05594","HMDB0003332","HMDB0000019;C00141","HMDB0001955","HMDB0000609","HMDB0001856;C00230","HMDB0000423;C10447","HMDB0062295","HMDB0014378;C02518","HMDB0013848","HMDB0001101;C02519","HMDB0001858;C01468","HMDB0001232;C00870","HMDB0000017;C00847","HMDB0003192;C04051","HMDB0006248;C03740","HMDB0010217","HMDB0012843;C06103","HMDB0014797","HMDB0000060;C00164","HMDB0000034;C00147","HMDB0001003;C00224","HMDB0000303;C00398","HMDB0000462;C01551","HMDB0003345;C00267","HMDB0001586;C00103","HMDB0000208;C00026","HMDB0006344;C04148","HMDB0015274;C06819","HMDB0002829;C11135","HMDB0030837;C10428","HMDB0001043;C00219","HMDB0035782;C08617","HMDB0000168;C00152","HMDB0000191;C00049","HMDB0035473","HMDB0000784;C08261","HMDB0000011;C01089","HMDB0030094;C08619","HMDB0033826;C14693","HMDB0000511;C01571","HMDB0000055;C06422","HMDB0000653;C18043","HMDB0030282;C06528","HMDB0002183;C06429","HMDB0003229;C08362","HMDB0000072;C00417","HMDB0006331;C02480","HMDB0000570;C05770","HMDB0031340;C02824","HMDB0001176;C00128","HMDB0001321;C00279","HMDB0062538;C00095","HMDB0000625;C00257","HMDB0000150;C00198","HMDB0001109;C06156","HMDB0000186;C00243","HMDB0000163;C00208","HMDB0000169;C00159","HMDB0003848;C04520","HMDB0003411;C00763","HMDB0004136;C16884","HMDB0011740;C19636","HMDB0000626;C04483","HMDB0000071;C05512","HMDB0001192;C04058","HMDB0015468;C06955","HMDB0000079;C00906","HMDB0000076;C00429","HMDB0001882;C00184","HMDB0000779/HMDB0014712;C01479","HMDB0000008;C05984","HMDB0000742;C05330","HMDB0000623;C02678","HMDB0000638;C02679","HMDB0041886;C11720","HMDB0002068;C08316","HMDB0004483;C11133","HMDB0131282","HMDB0061650;C19418","HMDB0130571;C09734","HMDB0005808;C00858","HMDB0015118;C07805","HMDB0004089;C05653","HMDB0001076;C01094","HMDB0001049;C00669","HMDB0034367","HMDB0004062;C05585","HMDB0028799","HMDB0028823","HMDB0029156","HMDB0028827","HMDB0028832","HMDB0000148;C00025","HMDB0000641;C00064","HMDB0000139/HMDB0031818;C00258","HMDB0000086;C00670","HMDB0000138;C01921","HMDB0000631;C05464","HMDB0002259","HMDB0000672;C19615","HMDB0000714;C01586","HMDB0000133;C00387","HMDB0000665;C03264","HMDB0000350","HMDB0029737;C08493","HMDB0003320;C19837","HMDB0000197;C00954","HMDB0000671;C02043","HMDB0000682","HMDB0000195;C00294","HMDB0000175;C00130","HMDB0015163;C07469","HMDB0000730","HMDB0000689","HMDB0015303;C01822","HMDB0000695;C00233","HMDB0030392","HMDB0000715;C01717","HMDB0000194;C01262","HMDB0001851;C00532","HMDB0000033;C00386","HMDB0003349;C00337","HMDB0062489;C01019","HMDB0001265;C02985","HMDB0003466;C01040","HMDB0002205;C16511","HMDB0000687;C00123","HMDB0011756;C02710","HMDB0000156;C00149","HMDB0000267;C01879","HMDB0000849;C00507","HMDB0000187/HMDB0062263;C00065","HMDB0000943/HMDB0062620;C01620","HMDB0014736;C07063","HMDB0001251;C01724","HMDB0001085;C02165","HMDB0003080;C05951","HMDB0000720","HMDB0002003;C08320","HMDB0000673;C01595","HMDB0000761;C03990","HMDB0001198;C02166","HMDB0002928","HMDB0001296;C02052","HMDB0001262;C01835","HMDB0030017;C00828","HMDB0015446;C07618","HMDB0061859;C16995","HMDB0000202;C02170","HMDB0000227/HMDB0059629;C00418","HMDB0015335;C11195","HMDB0041933;C09226","HMDB0000211;C00137","HMDB0000806;C06424","HMDB0001348;C00550","HMDB0001367;C04256","HMDB0001129;C00645","HMDB0000766","HMDB0000812;C01042","HMDB0001138;C00624","HMDB0011745;C02712","HMDB0000230;C00270","HMDB0002064;C02714","HMDB0002931","HMDB0004949","HMDB0003556;C01674","HMDB0005923","HMDB0014629","HMDB0014745;C07250","HMDB0002368;C08323","HMDB0014760;C07264","HMDB0015595","HMDB0000827;C01530","HMDB0000207;C00712","HMDB0014906;C07789","HMDB0000788;C01103","HMDB0059933;C06677","HMDB0000220;C00249","HMDB0000210;C00864","HMDB0000826;C16537","HMDB0000228;C00146","HMDB0000159;C00079","HMDB0000205;C00166","HMDB0036634;C01604","HMDB0000263;C00074","HMDB0001565;C00588","HMDB0138206","HMDB0000245;C00931","HMDB0060382;C18044","HMDB0001830;C00410","HMDB0060933","HMDB0002982;C00959","HMDB0001220;C00584","HMDB0000767;C02067","HMDB0034050;C10523","HMDB0001167;C00546","HMDB0000243;C00022","HMDB0000232;C03722","HMDB0003213;C00492","HMDB0014351;C06539","H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