MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456/m_MTBLS14456_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456/m_MTBLS14456_LC-MS_positive_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456/a_MTBLS14456_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456/a_MTBLS14456_LC-MS_positive_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456/s_MTBLS14456.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14456Metabolite identification was performed by searching the acquired MS/MS spectra against an in-house database, public databases (including HMDB, KEGG, and METLIN), predicted libraries, and using the metDNA method. The identification criteria required a minimum identification score of 0.5. For each metabolite, the identification level was assigned based on available spectral matching. Only metabolites with a QC sample coefficient of variation (CV) <0.3 were retained after identification. Positive and negative ion mode data were merged, keeping the metabolite with the highest identification level and the smallest CV for each compound. A total of 2,305 metabolites were detected, of which 2,032 were identified at MS2 levelMetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseChromatographic separation was performed on a Vanquish UHPLC system (Thermo Scientific, Massachusetts, USA) equipped with a Waters ACQUITY Premier HSS T3 column (1.8 μm, 2.1 × 100 mm). The column temperature was maintained at 40°C. The mobile phase consisted of (A) 0.1% formic acid in water and (B) 0.1% formic acid in acetonitrile. The flow rate was set at 0.4 mL/min, and the injection volume was 4 μL. The gradient elution program was as follows: 0–2 min, 5–20% B; 2–5 min, 20–60% B; 5–6 min, 60–99% B; 6–7.5 min, 99% B; 7.5–10 min, 5% B. The same chromatographic conditions were applied for both positive and negative ion modes.Role and Mechanism of SERPINA1/PLG/TGFB1-Induced Adipose Fibroblast Activation in Dorsal Cervical Adipose Accumulation.The first hospital of China Medical UniversityRunze Yanghuman adipose tissuemass spectrometry assayApproximately 20 mg of frozen adipose tissue was weighed and homogenized with a steel ball using a grinder (30 Hz, 20 s). After centrifugation (3,000 rpm, 30 s, 4°C), 400 μL of 70% methanol in water containing internal standards was added, vortexed (1,500 rpm, 5 min), and placed on ice for 15 min. The mixture was centrifuged at 12,000 rpm for 10 min at 4°C. Then 300 μL of supernatant was collected and kept at 20°C for 30 min, followed by a second centrifugation at 12,000 rpm for 3 min at 4°C. Finally, 200 μL of supernatant was transferred to an LC-via for analysis.Quality control (QC) samples were prepared by pooling equal aliquots of all sample extracts and were injected every 10 analytical runs to monitor instrument stability and reproducibility. Internal standards were added to all samples during extraction.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS14456Runze Yang. The First Hospital of China Medical University. yrz000108@163.com.Yujing Zhang. The First Hospital of China Medical University. yjzhang@cmu.edu.cn.Raw mass spectrometry data (.raw) were converted to mzML format using ProteoWizard. Peak detection, alignment, and retention time correction were performed using XCMS. Features with >50% missing values in any group were filtered out. Missing values were imputed using KNN imputation or, if >50% missing, replaced with one-fifth of the minimum value. Peak areas were corrected using support vector regression (SVR). Metabolite identification was carried out by searching against an in-house database, public databases, predicted libraries, and the metDNA method. Only metabolites with an identification score 0.5 and a QC sample coefficient of variation (CV) <0.3 were retained. Finally, positive and negative ion mode data were merged, keeping the metabolite with the highest identification level and the smallest CV for each compound. The processed data are provided in the file all_sample_data.xlsx.Groupyrz000108@163.comHuman adipose tissue samples were surgically obtained as discarded pathological specimens. Specimens were immediately stored at 80°C until processing. For extraction, samples were thawed on ice prior to homogenization. Samples were collected in 2025. No specific clinical information beyond group assignment was recorded.MetabolomicsThermo Scientific Vanquish UHPLC SystemLC-MS/MSMetabolomicsuntargeted analysisThermo Scientific Q Exactive HF-X75-1000OPLS-DAHomo sapienstissueMetabolic disordersHuman adipose tissueUntargeted metabolomicsThermo Scientific Vanquish UHPLC SystemLC-MS/MSMetabolomicsuntargeted analysisThermo Scientific Q Exactive HF-X75-1000OPLS-DAHomo sapienstissueMetabolic disordersHuman adipose tissueUntargeted metabolomicsMass spectrometry analysis was performed using a Thermo Scientific Q-Exactive HF-X mass spectrometer (Massachusetts, USA) equipped with an electrospray ionization (ESI) source. Data were acquired in both positive and negative ion modes. Full scan MS spectra were collected over a mass range of m/z 75–1000 at a resolution of 35,000 (FWHM). Data-dependent MS/MS spectra (MS2) were acquired at a resolution of 17,500 with stepped collision energies of 30, 40, and 50 V. The signal intensity threshold was set at 1e6 cps, and the top 10 precursors were selected per scan cycle with a dynamic exclusion duration of 3 seconds. Key source parameters for positive ion mode: spray voltage 3500 V; for negative ion mode: spray voltage 3200 V. Common parameters for both modes: sheath gas flow rate 30 arb, auxiliary gas flow rate 5 arb, ion transfer tube temperature 320°C, vaporizer temperature 300°C.cis-11-Methyl-2-dodecenoic acidPyrocatecholSolanidineMethyl linolenateMangiferdesmethylursanoneAlantolactoneEctoineRisedronic acid3-HydroxybutanamideAltretamineL-HistidineL-AllothreoninePolidocanol1,2-Dilinoleoyl-SN-glycero-3-phosphocholineLasalocidBifenazateIminodiacetic acidLPC(18:1/0:0)PE(P-16:0/18:2(9Z,12Z))3-Methoxybenzyl alcoholN-Ethylglycine2,3-Dimethoxyphenol2',6'-Dihydroxy-4'-methoxyacetophenoneL-2-amino-4-(aminooxy)butyrateDihydroergotamine4-HydroxybenzaldehydePicolinamideBufoteninEschscholtzxanthinPyrantel1-S-[(1Z)-N-(sulfoxy)pentanimidoyl]-1-thio-beta-D-glucopyranoseMyo-inositol 1,3,5-trisphosphateHordenineTetrapentylammoniumArginineRicininePC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))gamma-ButyrolactoneGlutathione7-Dehydrodesmosterol2,4,12-Octadecatrienoic acid isobutylamideFexofenadinealpha-ErgocryptineNicotinate mononucleotideCaffeic acidC-12 NBD-dihydro-CeramideProline betaineMG(18:1/0:0/0:0)OleamideCinnamic AcidLidocaine2-Diethylaminoethanol3-hexanoyl-NBD CholesterolPantothenic acidAmyl NitriteColfosceril palmitateD-Pyroglutamic acid1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholineErucic acidNomifensine maleatePhenylboronic acidMetaproterenolTG(8:0/8:0/8:0)Acetoacetic acid13-DocosenamideCarnitine C18:2Carnitine C18:1Phthalic acidDimethylallyl diphosphateThymopentin1,2-Dimyristoyl-sn-glycero-3-phosphocholineCreatine monohydrate3-Butyn-1-alScymnol2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium3-Methacrylic acidPC(18:3/18:3)(S)-2-Propylpiperidine¦Ä-Valerolactam3'-Adenylic acid1,3-BenzenediolOrnithine2-(Octylthio)ethanol4,6-Dichloro-3-methylcatecholLPC(20:3/0:0)4-Methyl-5-vinylthiazole4-(Methylamino)butanoic acid4-Methylbenzaldehyde4-HydroxycyclophosphamideBenzamideIsocitric acidN-MethylputrescineLysyl threonineGentian violetDL-3,4-Dihydroxyphenyl glycolL-CarnitineLeupeptin2-MethylbenzenethiolMethazolamide6-HydroxypseudooxynicotineIsobutylhydroxylamineAdenosine monophosphateGlucosaminic acidAllopurinolMethyl 2-octynoateTerbufosDihydro-3-methyl-2(3H)-furanone4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol2-Hydroxycinnamic acid1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamideMethylacetoacetic acidCyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)-1-Aminocyclobutanecarboxylic acid3-Hydroxybutyric acidFlunarizine hydrochlorideBenzoic acidPeimineC14 SphingomyelinL-PhenylalanineThiodiglycol1-Hydroxylamino-2-phenylethane3,4-Dimethyl-5-pentyl-2-furanundecanoic acid4-AminobutyraldehydeIsoproterenolPhenforminOleanolic acidErythritolPhytanic acidGlycidyl oleateCarnitine C3:02-Methyl-D-serineDiatoxanthinValeric acidPentanenitrile(+)-trans-Chrysanthemic acidPhenylacetaldehydePterosin HGeranyl acetate2,6-DimethylpyridineUmbelliferoneThiopheneGuanineOctadecylamine5-(16-Heneicosenyl)-1,3-benzenediol1-MethylnicotinamideTropate2,3',4,5'-TetramethoxystilbeneAncitabineDehydrocostus lactoneLPC(16:0/0:0)2-(1-methyl-1H-imidazol-5-yl)acetic acidIsosafroleSiduronAcetylacrylic Acid Methyl EsterNitrobenzene1,3-DiaminopropaneXanthosineEthyl p-methoxycinnamate1-Eicosanoyl-sn-glycero-3-phosphocholineSchleicheol 2Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl esterGlycocholic acidBenzyl methyl disulfide1-DeoxymannojirimycinMirtazapine2'-DeoxyuridineIndole-3-carboxaldehydeCarnitine C5:0Decahydro-2-naphthoic acidIsovalineOndansetron hydrochloride dihydrateGinsenoside RG2Carnitine3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole2-Methyl-1-pyrrolineDimethylamphetamineChanoclavineAgroclavineDiclofenacN-Acetylcysteine2,4-PentanedioneCyclopentanethiolDiethyl sulfideOryzanol A4-oxo 2-Nonenal-d3Cycloprotobuxine CThymineOfloxacin(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)1,4-Dithiane-2,5-diolPalonosetronGoshonoside F5Maltol2-Hydroxy-4-(methylthio)butyric acidHildecarpinRubiadinMG(16:0/0:0/0:0)Pinolenic acidZymosterolTaurine1-Naphthol1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolaminePramipexoleLithocholic acidL-ThreonineCarnitine C12:02-AminophenolRetronecine8-Amino-7-oxononanoic acidDocosyl acetateIndinavir sulfateProscillaridin4-AminophenolL-LeucinePyridoxalAnhalonidineDocosatrienoic acidImperialineOctodrineNifuroxazidegamma-ConiceineIsopropyl methyl sulfideEnoxoloneMonoethylglycinexylidideAcetoacetamideDeoxyuridine-5'-diphosphateN6-Succinyl Adenosinecis-11-Eicosenoic acid3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione15S-hydroperoxy-11Z,13E-eicosadienoic acidGlycerophospho-N-Oleoyl EthanolaminePralidoximumTetramethylsilaneGeranylgeraniol1-Phenyl-1-propanone7-MethoxycoumarinL-methionine sulfoxideOctopamine3-(N-Nitrosomethylamino)propionitrileL-Tryptophan2-Amino-1-phenylethanolFFA(12:1)DopamineC24:1 Sphingomyelingamma-TocopherolN-MethyldioctylaminePyrazinamideCholesterolNifedipineSoyasapogenol APro-leuTestosteroneMorpholineDelorazepam3-Hexaprenyl-4,5-dihydroxybenzoic acidn-OleoylethanolamineL-ValineTilmicosinMyosmine3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amideN-oleoylglycineAcetylhomoserineMycophenolic acidCrotonic acidCuminaldehyde1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholineRopivacaine2-Phospho-D-Glyceric AcidCreatineNandrolone decanoateMaravirocOxiglutationeBehenic acidCytosineIsobutyronitrileEthosuximide12-Ketolithocholic acidGuanidinosuccinic acid3-HydroxyphenylureaHydroxyquinoline6-UndecanoneCetrimonium bromideGluconolactoneSelenomethionineN-Methyl-a-aminoisobutyric acidIonomycin(-)-trans-Carveol glucosideAcrylic acid1-Propenyl propyl sulfide3-Hydroxypicolinic acid18-Methyleicosanoic acid3-Aminoisobutanoic acidLPC(18:0/0:0)Leu-Leu-PheQuinolinic acid1-Phenylethanol2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-oneVaccinoside4-Formyl-2-hydroxybenzoic acidL-Glutamic acidButyl linoleateTiamulin1,6-di-O-phosphono-beta-D-fructofuranose5-Hydroxy-2-methyl-4H-pyran-4-oneO-Phospho-DL-threonineLPC(O-18:1)1,3-Dihydroimidazol-2-onePyridabenPC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))N,N-DiethylglycineDimethylglycineGlutaminePS(18:0/20:4)Desthiobiotin3-Methylbenzyl alcoholHydroxypyruvaldehyde phosphate2-Methylbenzyl alcoholAlanyllactateVoriconazole3-Amino-2-oxazolidone2,4-Diaminobutyric acid4-Hydroxycinnamic acidCarnitine C16:0(2E,4E)-2,4-Dodecadienal4-Oxo-4-(pyridin-3-yl)butanalVitamin KTyramineBenzenebutanoic acid1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamineDeanolPrazosin2,5-Dihydro-2,4-dimethyloxazole3-Hexenedioic acidLinoleylethanolamide4-MethylpentanalErgothioneineAmikacinEthamivan4-HydroxyacetophenoneDesoxycortoneLPC(0:0/20:4)N-AcetyltyramineSuccinic acid semialdehydeIsovaleramide2-Aminohexadecanoic acidLevulinic acidLys-SerXanthine3-Hexylpyridine(R)-(-)-2-Phenylglycinol(3Z,6Z,9Z)-dodecatrienolDisoglusideCholineAsparagine2,3-DihydrobenzofuranTromethamine3-Amino-2-naphthoic acidNicotinic acid5-Hydroxymethyluracil4-Pentenoic acidDL-MethionineL-Isoleucine2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acidL-alpha-Aminobutyric acid1,2-DiphenylhydrazineO-benzyl-L-serine7-Methylxanthineo-TyrosineAngiotensin (1-7)4,5-Dihydro-2-methylthiazolePentanamideWedelolactoneLeukotriene B4-3-aminopropylamide(R)-N-MethylsalsolinolSolasodinePhyllanthinDimethyl sulfoxideL-Aspartic acid2'-Deoxyadenosine3-Methyl-4-pentenoic acidIsolithocholic acidDehydrophytosphingosine (not validated, isomer of 1677)Cholesteryl glucosideUrsolic aldehydeVaporolep-CresolGlucolepidiin2-Aminopyrazine1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholineEpsilon-caprolactamGuvacinePiperidine(-)-HygrolineN-AcetylpyrrolidineD-Ornithine1-Palmitoyl-2-pyrenedecanoylphosphatidylcholineL-2-Aminoadipic acidN-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamineArecaidineCyclopentadieneS-Ethylisothiourea hydrobromidePregnanetriol2,3,4,5-Tetrahydro-2-pyridinecarboxylic acidIsoeugenyl acetateSaracatinibUnii-T03uxi5O64StearoylcarnitineGlu-LeuGamma-Caprolactone2,4-Dihydroxy-3,6-dimethylbenzoic acidethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate2-Methoxy-3,5-dimethylpyrimidine2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamideL-HomophenylalanineL-ProlineDimethindenePhenolPolyoxyethylene 40 monostearateSyringic acidAminosalicylic Acid3-Hydroxyanthranilic acidAlpha-Linolenoyl ethanolamidePiperidine acidGlycine1-(1-Naphthyl)-2-thiourea2,2',3,4,4',5',6-Heptabromodiphenyl ether4-EthylphenolStearoylethanolamideFarnesylacetoneMelamineMiglitolCyclotetracosaneAceclidine5-HydroxytryptopholTriethylenetetramineIbudilastLPE(18:1/0:0)4-Pyridoxic acidIsovaleric acidGuanosineAzithromycin dihydrateN,N-Dimethylaniline N-oxideDeoxycholic acid glycine conjugate2-FluoroanilineSulfadoxinePiracetamTetradecanoylcarnitineC22 SphingomyelinDL-Carnitine hydrochlorideN-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamideAmidatePolyporusterone A2-Aminoisobutyric acidAnhydroamarouciaxanthin BD-Methionine(-)-SalsolineHecogeninRaloxifeneL-Homocysteic acid4-HydroxyphenylacetaldehydeN-1,3-benzoxazol-2-ylguanidineN-Acetylthreonine5-Methyl-2-furancarboxaldehydePhenethylamineButyl octadecanoateTriacetinStigmasterol3-Hydroxymethylglutaric acid(3-Acrylamidopropyl)trimethylammonium ChlorideDiethanolamineCerulenin1-Palmitoyl-2-thiopalmitoyl phosphatidylcholineFasciculic acid CSwainsonineIsoniazidProtionamideFasciculic acid B(R)-2-MethylpyrrolidineHuperzine bTomatidine5-(12-Heneicosenyl)-1,3-benzenediolMG(18:2/0:0/0:0)CrotetamideMethyl-2-pyrrolidone-5-carboxylateL-TyrosineNornicotineHypotaurineFomepizoleClarithromycinN-cis-Hexadec-9Z-enoyl-L-homoserine lactonePhe-Pro5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine7-Ethyl-3,6-dihydro-1,4-dimethylazulene5-Hydroxy-1H-indole-3-carboxylic acid1-Deoxynojirimycin2-Amino-5-oxohexanoic acidMonosodium glutamateSpermidineTriethylamineDisulfiram1,2-Ethylenediphosphonic acid1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholineAlvocidibN-omega-Propyl-L-arginineMycolactoneLopinavir(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acidAmmeline(2S,3S)-butane-2,3-diolLPE(18:0/0:0)Prosapogenin Acis-3-Hexenyl tiglateGeosmin2-Methyl-5-vinylpyrazinen-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamideHedamycinN-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine3beta-Cyclopentyl-5alpha-androstan-17beta-olgamma-TomatineHecogenin acetateVanillylamine2-Methyl-1-propanethiolIsopenicillin NIsovaleraldehydePaeonolInositol 1,3-bisphosphateGinsenoside Rg3Astemizole2-AcetylfuranOctadecanamideHydroxyacetonePiperineRivastigmineAcetophenoneCarnitine C2:0Creatinine4-AminocatecholAcetyl-L-carnitine1-O-Hexadecyl-sn-glycero-3-phosphocholineIberinDiacetylganoderol AOxamic acidOxethazaine5-Aminopentanoic acid2-PhenylacetamideOxolan-3-oneHistidinal4-HydroxystyreneHexaethylene glycolPalmitic amide1-Stearoyl-sn-glycero-3-phosphatePropamocarb(E)-3-DecenolBetaineN-PhenylacetylphenylalanineL-AlanineGlu-Tyr11alpha-Hydroxy-beta-amyrin3-Formylsalicylic acid4-Acetamidobutanoic acidPterin1-Aminocyclopropane-1-carboxylic acidThio-THIPPro-SerEnrofloxacinPC(18:0/18:2)1-HexacoseneGeniposideN-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamideN-Octadecyl-N'-propyl-sulfamideIsoquinolineL-LysineDigitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside]Crepenynic acidAzelaoyl PAFAlfuzosinHexadecasphinganine2-Carboxybenzaldehyde5-{9,32-Dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-oneMisoprostolDodecanoic acidSe-MethylselenomethionineGenipinPseudoephedrineSphinganineMactraxanthinD-Glutamic acidArtemisyl propionate2-PhenylpropanalCadaverineMetoprololClofenvinfosN-Palmitoylsphingomyelin3-Pentadecylphenol4-Methylbenzyl alcohol1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one3-Penten-2-oneBenzylamine4-Methylglutamic acidIsonicotinic acidAllantoinEphedrineNotoginsenoside T2Notoginsenoside T1D-Myo-inositol-2,4,5-triphosphateL-Homoserine4-Aminopyridine(all-E)-6'-Apo-y-caroten-6'-al1-PhenylbiguanideTaxifolinEpoxycholesterol4-VinylguaiacolN-FormylmethionineLPC(O-16:0/2:0)Bis-5,5-nortrachelogenin6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one2,8-QuinolinediolPalmitoylethanolamideMethionine1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholineSmilagenin acetateTyrosolBenzamidineMephentermineTomatidine galactosideStyreneEthyl hexadecanoate3-Methyl-1-butylaminePokeberrygenin4-Hydroxyproline1-HexanethiolL-HistidinolGabapentinCelastrolall-trans-Carophyll yellowPrilocaine3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acidR-2 Methanandamide1-Amino-3,3-diethoxypropane3-Methoxytyramine3-Methyladipic acidN-EthylacetamideGlu-glu4-(Methylamino)butanalNiacinamideSalsolinolcis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acidSerotoninKojic acidL-Homoarginine2-(Acetylamino)-3-O-[(1r)-1-Carboxyethyl]-2-Deoxy-1-O-Phosphono-Alpha-D-GlucopyranoseSecurinineHemine1,2-Distearoyl-sn-glycero-3-phosphoethanolamine5-Hydroxymethyl-2-furancarboxaldehydeHeptethylene glycolHexylamineArvanilAtratonAminocaproic acidCitranaxanthin2,3-Diaminopropionic acidPhytosphingosineRhizoxin2-Acetylpyrazine2,2-Bis(4-hydroxy-3-methylphenyl)propaneEthylmethylacetic acidIsopentenyl pyrophosphate1-Oleoyl-2-acetyl-sn-glycerol2'-Deoxyuridine 5'-monophosphate1-Eicosene4-Fluoroaniline2,4-PentadienalLenticinalpha-Hydroxyisobutyric acidCoumarin1-PiperideineMyristic acidHypoxanthineMethyl caffeate1,2-Dioleoyl-sn-Glycero-3-PhosphocholineIsopropenylpyrazine5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-oneTrileucine2-ArachidonoylglycerolEthyl 2-(methyldithio)propionateLongamide2-Methylbenzaldehyde4'-Methylliquiritigenin 7-rhamnosidePhe-AspCarnitine?C9:1-OHL-GuloseOxindole(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneHC-ToxinEnoxacinAdenineDL-Homoserine(S)-beta-Aminoisobutyric acidThiramN-Butyrylhomoserine lactoneD-ProlineInosineL-SerineCiclesonideBufexamac2-PyrrolidinonePanthenol3,4-Dimethylbenzoic acidCholic acid(E)-4-Amino-2-butenoic acidLPE(16:0/0:0)Firefly luciferin2,5-Dimethyl-1,4-dithiane-2,5-diolPirimicarbArg-Met2,5-Dimethylbenzaldehyde4-Hydroxybenzoylcholine1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholineAlliinCytidine 2',3'-cyclic monophosphateMethyl 1-methylpyrrole-2-carboxylateMaltotrioseVanillylmandelic acidCucurbitacin ESebacic acid2-Methyl-3-(pyrimidin-2-YL)propanoic acidNaphthaleneDihydrouracil1-O-Octadecyl-SN-glycero-3-phosphocholinePC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))2,5-Dideoxy-2,5-imino-D-mannitolbeta-SitosterolMethyl dihydrojasmonateMaslinic acidBovinic acid4-Ethylbenzoic acidN-methyl-L-glutamic AcidSempervirine cationSalidrosidePicolinic acid4-(4-Fluorophenyl)cyclohexanoneDiisobutyl phthalate2-PhenoxyethanolPiperazineEthyl carbamatePyroglutamic acid1,3,5-TrihydroxybenzeneEcdysoneBetaine aldehydeMDAI (hydrochloride)Succinylacetone4-Phenyl-1,2,3-thiadiazolePalmitoleoyl Ethanolamide1-PyrrolinePE(18:2(9Z,12Z)/18:2(9Z,12Z))Androsterone4-ImidazolonePipenzolateSalinomycin1-Methyl-2-pyrrolidinoneN-Acetyl-L-alanine2-Hydroxybutanoic AcidArsanilic acid10-Undecen-1-ol2-(3,4-dimethoxyphenyl)ethanamineDibutyl phthalateNonoxynol-9FFA(18:4)ginsenoside F5MethylpyrazineGluconic AcidD-HomocysteineUsnic acidN-Nitroso-pyrrolidineBenzaldehyde4-(1-Hydroxyethyl)phenolHistamineLevocarnitine propionateLimoneneOrcinolN-acetylsphinganine5'-Deoxyadenosine(s)-3-Amino-3-phenylpropanoic acid4-Methoxybenzyl alcoholAllantoic acidFFA(18:2)2-PropanethiolAzelaic acid1-IsothiocyanatobutaneMG(18:0/0:0/0:0)PentetrazolImidazoleacetic acid11-Oxo-beta-amyrinDeoxycholic acidPhenylhydroxylamine(6R)-6-(Hydroxymethyl)-alpha-D-mannopyranose 1-phosphoric acidNorvalinefalseRole and Mechanism of SERPINA1/PLG/TGFB1-Induced Adipose Fibroblast Activation in Dorsal Cervical Adipose AccumulationThis untargeted metabolomics study investigates metabolic differences in human adipose tissue between Group A (n=7) and Group B (n=7). Samples were analyzed using LC-MS/MS in both positive and negative ion modes on a Thermo Q-Exactive HF-X mass spectrometer. A total of 2,305 metabolites were detected, of which 2,032 were identified at MS2 level. Differential metabolites were screened using VIP > 1 (from OPLS-DA) and P-value < 0.05 (Student's t-test). A total of 145 significant differential metabolites were identified, with 73 up-regulated and 72 down-regulated in Group A relative to Group B. KEGG pathway enrichment, HMDB annotation, and MSEA were performed to characterize the functional implications of these metabolic changes. Raw data files (mzML format) and processed data tables are provided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