MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/m_MTBLS15935_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/m_MTBLS15935_LC-MS_positive_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/s_MTBLS15935.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/a_MTBLS15935_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/a_MTBLS15935_LC-MS_positive_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612272_QC01.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612276_B2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612274_A3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612272_A1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612274_A3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612272_A1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612277_B3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612272_QC02.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612275_B1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612272_QC02.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612277_B3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612275_B1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612273_A2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612273_A2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/POS/POS_MLE0612276_B2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935/FILES/NEG/NEG_MLE0612272_QC01.rawprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15935<p>Metabolite annotation was performed using Progenesis QI v3.0 by matching MS and MS/MS spectral information against metabolite databases. The MS mass tolerance was set to &lt;10 ppm, and metabolite identification was additionally evaluated using MS/MS spectral matching scores. The reference databases included the Human Metabolome Database (HMDB), METLIN, NIST, MassBank, LipidBlast, GNPS, and the in-house Majorbio Database (MJDB).</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p>Chromatographic separation was performed using an ACQUITY UPLC HSS T3 column (100 mm × 2.1 mm i.d., 1.8 µm; Waters, Milford, USA). Mobile phase A consisted of water/acetonitrile (95:5, v/v) containing 0.1% formic acid, and mobile phase B consisted of acetonitrile/isopropanol/water (47.5:47.5:5, v/v/v) containing 0.1% formic acid. The flow rate was 0.40 mL/min, the column temperature was maintained at 40°C, and the injection volume was 3 µL. The gradient program was as follows: 0–1.5 min, 0–5% B; 1.5–2.0 min, 5–10% B; 2.0–4.5 min, 10–30% B; 4.5–5.0 min, 30–100% B; 5.0–6.3 min, 100% B; 6.3–6.4 min, 100–0% B; and 6.4–8.0 min, 0% B.</p>Candida tropicalis orchestrates soil microbiome functional rewiring for sustained hydrocarbon degradation.Xi'an Shiyou UniversityZhaolun Liusoilmass spectrometry assay<p>Approximately 1000 ± 5 mg of each soil sample was transferred into a 2 mL centrifuge tube containing a 6 mm grinding bead. A total of 1000 µL extraction solvent (methanol:water = 4:1, v/v) containing four internal standards, including L-2-chlorophenylalanine at 0.02 mg/mL, was added. Samples were ground for 6 min at −10°C and 50 Hz, followed by low-temperature ultrasonication for 30 min at 5°C and 40 kHz. The samples were kept at −20°C for 30 min and centrifuged at 13,000 × g for 15 min at 4°C. The supernatant was collected and dried under nitrogen. The dried extract was reconstituted with 120 µL acetonitrile:water (1:1, v/v), vortexed for 30 s, sonicated for 5 min at 5°C and 40 kHz, and centrifuged again at 13,000 × g for 15 min at 4°C. The supernatant was transferred to autosampler vials for LC-MS analysis. For quality control, 20 µL of supernatant from each sample was pooled to prepare the QC samples.</p>soil metagenomehttps://www.ebi.ac.uk/metabolights/MTBLS15935Zhaolun Liu. Xi'an Shiyou University. aneckcarolclement@gmail.com.<p>LC-MS raw data were processed using Progenesis QI v3.0 (Waters Corporation, Milford, USA). Raw data processing included baseline filtering, peak detection, peak integration, retention-time correction, and peak alignment. A data matrix containing retention time, m/z, and peak intensity was generated. The resulting data matrix was subsequently processed using the Majorbio Cloud Platform. Metabolic features detected in at least 80% of samples in any group were retained. Missing values were replaced with the minimum value in the original data matrix, and peak intensities were normalized using sum normalization. Features with a relative standard deviation (RSD) greater than 30% in QC samples were removed, followed by log10 transformation for downstream analysis.</p>Experimental groupaneckcarolclement@gmail.com<p>Six contaminated soil samples were included in this study. The samples were divided into two experimental groups, A and B, with three samples in each group. The samples were subsequently subjected to untargeted LC-MS metabolomics analysis.</p>Metabolomicsultra-performance liquid chromatography-mass spectrometrypooled quality control sampleMetabolomicsThermo Scientific Vanquish UHPLCuntargeted analysissoilsoil metagenomeThermo Scientific Exploris 240Progenesis QIexperimental sampleultra-performance liquid chromatography-mass spectrometrypooled quality control sampleMetabolomicsThermo Scientific Vanquish UHPLCuntargeted analysissoilsoil metagenomeThermo Scientific Exploris 240Progenesis QIexperimental sample<p>Mass spectrometric analysis was performed using a Thermo Scientific Orbitrap Exploris 240 mass spectrometer equipped with an electrospray ionization (ESI) source. Data were acquired separately in positive and negative ionization modes over an m/z range of 70–1050. The sheath gas flow rate was 60 arb and the auxiliary gas flow rate was 20 arb. The heater temperature was 350°C and the capillary temperature was 320°C. Spray voltages were 3400 V in positive ion mode and −3000 V in negative ion mode. The S-Lens RF level was 60. Normalized collision energies of 20, 40, and 60 were applied. The Full MS resolution was 60,000 and the MS/MS resolution was 15,000.</p>Lpg(19:1)N-(4-Hydroxyphenyl)Glycine3-(4-Hydroxyphenyl)-1-PropanolEthyl Maltol5-Butyltetrahydro-2-Oxo-3-Furancarboxylic AcidGenipic Acid9-Deoxy-9-Methylene-16,16-Dimethyl -Pge27-Keto-8-Aminopelargonic AcidMesaconic AcidErgonovine11-Hydroxynonadecanoic Acid3-Hydroxymorphinan3-DechloroethylifosfamideCastasteroneHerierin IiiTamoxifen-N-Glucuronide3Beta,7Alpha-Dihydroxy-5-Cholestenoate1-O-Beta-D-Glucopyranosyl-2,3-Di-O-(8-Hexadecenoyl)GlycerolGly-Glu6-Epi-7-Isocucurbic Acid Glucoside4-Hydroxy-3-Methoxyphenethyl AlcoholTapentadol-Beta-D-Glucuronide3-(2-Hydroxyphenyl)Propionic Acid4-Hydroxybenzaldehyde(2E)-Tetradec-2-Enedioic Acid5-Amino-5-Oxopentanoic AcidMarindinin3-Methyl-1-(2,4,6-Trihydroxyphenyl)Butan-1-One2,3-Dinor-6-Oxoprostaglandin F1Alpha3-Propylidene-1(3H)-Isobenzofuranone2-Aminofluorene3-Isopropylmalic Acid11B,13-DihydrolactucinPregnanediol6-Deoxocastasterone2-Hydroxypalmitic AcidL-Dopa N-Butyl Ester(Z)-1-Methyl-2-(Tridec-8-En-1-Yl)Quinolin-4(1H)-OneWithanolideLoxoprofenOryzalide B(Z)-3-Oxo-2-(2-Pentenyl)-1-Cyclopenteneacetic AcidVestitone 7-GlucosideHexahydrophthalic Anhydride3Beta-Hydroxy-4Beta-Methyl-5Alpha-Cholest-7-Ene-4Alpha-CarbaldehydeEthyl 3-[(2-Furanylmethyl)Thio]Propanoate3,4,2',4',6'-PentahydroxychalconeBursopoietinCorchoroside B6-(1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl)Nicotinic Acid1,25-Dihydroxy-16-Ene-Vitamin D3Penicillic AcidD-LyxoseGlyceraldehydeSennidin CSennidin BDodecanedioic Acid(+)-Marmesin5-Butyl-2-Furanoctanoic AcidGlyuranolideHexadecanedioic Acid2-(Methylamino)Benzoic Acid3-Phenylbutyric Acid2-Methoxycinnamic AcidPentalenic AcidNeosaxitoxin7-Hydroxy-3-(4-Methoxyphenyl)-4-MethylcoumarinProstaglandin D1Prostaglandin D3Dodeca-3,5-Dienedioic Acid10-Hydroxy-3-Methoxy-1,3,5,7-Cadinatetraen-9-OneAjulemic AcidGancaonin VLupeol Acetate(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoic AcidPentanesulfonic AcidAla-AlaNeaminePretazettineHetastarch4-Ethylbenzoic AcidPterosin E15-Hepe4-Coumaroylshikimate2-Hydroxyibuprofen2-Benzyl-5-Hydroxymethyl-1,3-DioxolaneGlu-MetBafilomycin A13Alpha-Hydroxy-7-Oxo-5Beta-Cholanic AcidLpi(18:0)Nonic Acid2,3-Pyridinedicarboxylic Acid5S-Hydroperoxy-6E,8Z,11Z,14Z,17Z-Eicosapentaenoic Acid4-IpomeanolN-Stearoyl AsparagineEtoposide(3-Phenylpropionyl)GlycinePe-Nme(11M3/11D5)2-Methoxy-4-MethylphenolProstaglandin B1(2-Hydroxy-3-Phosphonooxypropyl) Octadec-9-EnoateSinefungin(2-Naphthalenyloxy)Acetic Acid[8]-ShogaolDec-7-Enedioylcarnitine[6]-GingerdioneMatairesinol1-Palmitoyl-Dihydroxyacetone-PhosphateLpi(18:1)14,15-Dihetre6-Oxohexanoic AcidProazulene21-DeoxycortisoneIsoproterenol5-KeteDg(6 Keto-Pgf1Alpha/2:0/0:0)5-(3',5')-Dihydroxyphenyl-Gamma-ValerolactoneAngelical8-Hydroxy-5,6-Octadienoic AcidGlabric Acid6-HydroxyshogaolNorethindrone Acetate6-Pentyl-1,4-Dioxan-2-OneGibberellin A8Gibberellin A913(S)-Hydroperoxylinolenic AcidGibberellin A7Gibberellin A4D-(+)-TrehaloseAcetylvalerenolic AcidGibberellin A1(2S)-2-Amino-6-[(3-Formylpiperidin-1-Yl)Amino]Hexanoic AcidO-Succinyl-L-HomoserineTrans-Hex-2-Enoic Acid3-Methyl-5-Propyl-2-Furantridecanoic AcidBuprenorphineN-Acetyl-A-Neuraminic Acid2-Propyl-2,4-Pentadienoic AcidCyclobenzaprine3-Indolebutyric Acid(3R)-3-Hydroxydodecanoic AcidCytosporone B6,15-Diketo-13,14-Dihydro-Pgf1AlphaMycorradicin1,2-Dipalmitoylphosphatidylcholine2-Isopropylmalic AcidBufotalinP-Toluenesulfonic AcidIsopentenyl Adenosine11-Dehydro-2,3-Dinor-Txb2(E)-Butylidene Phthalide5Beta-Cholestane-3Alpha,7Alpha,12Alpha-TriolD-Galactose10-Hydroxy-2-Decenoic Acid2A-Hydroxygypsogenin 3-O-B-D-GlucosideSelegiline(S,E)-2-(5-Hydroxy-8,9-Dihydro-5H-Benzo[7]Annulen-6(7H)-Ylidene)Acetic AcidLupenoneBisdethiobis(Methylthio)GliotoxinGlu-ValJasmolone GlucosideEthyladipic Acid5,6-Isopropylidene-L-Ascorbic AcidPs(Monome(13,5)/Dime(13,5))Suberic Acid7A-Hydroxyandrost-4-Ene-3,17-DioneTetradecenoic AcidSterolProstaglandin K1Dodecylbenzenesulfonic AcidGibberellin A12 AldehydeN-Oleoyl GlutaminePegvaliase4-Pyridoxic AcidZingerone5-MethoxytryptophanIbuprofen2'-Deoxyuridine1,4-Ipomeadiol7-Epi-12-Hydroxyjasmonic Acid Glucoside8-Hydroxynevirapine10-Hydroxydecanoic AcidCinnamoylglycine6-(Acetylamino)Hexanoic Acid(+)-Dehydroabietic Acid(2E,4E)-2,7-Dimethylocta-2,4-Dienedioic AcidHydroquinoneBiotin AmideVulgarinCoriandrone BPc(Pgj2/Dime(13,5))5S,12R-Dihydroxy-6Z,8E,10E,14Z-Eicosatetraene-1,20-Dioic AcidPsilostachyinPi(Pgf1Alpha/20:0)5-HydroxymebendazoleN7-(2-Carbamoyl-2-Hydroxyethyl)GuanineArtabsinolide DCyclohexylacetic Acid3-Polyprenyl-4,5-Dihydroxybenzoate2-(Alpha-Hydroxyethyl)Thiamine DiphosphateLamivudine SulfoxideSkimmianine4-Vinylcyclohexene DioxideCis-3-Hexen-1-Ol3-Methyl-2-Oxovaleric AcidOctanoic Acid3Alpha,7Alpha-Dihydroxycoprostanic AcidCephalosporanic AcidGln-His(2Z,4E)-Deca-2,4-Dienedioic AcidKievitone Hydrate2-Polyprenyl-3-Methyl-5-Hydroxy-6-Methoxy-1,4-BenzoquinoneZearalenol2-DechloroethylifosfamideCynaratriolDodeca-2,4-Dienedioic AcidGlutaconic AcidInulinAndrographolide7-Amino-4-Methylcoumarin7Alpha-Hydroxy-3-Oxo-4-Cholestenoate4-(Ethoxymethyl)Phenol2-(6-Methoxy-2-Naphthyl)Propionic AcidPrednisone(1S,3S)-(R)-Cyano(3-Phenoxyphenyl)Methyl 3-(2,2-Dichlorovinyl)-2,2-Dimethylcyclopropanecarboxylate6-Hydroxynicotinic Acid4'-Hydroxycilostazol, Trans-3-DehydrocholateArtecaninEthylenediamine-N,N'-Diacetic Acid4-Methylbenzoic AcidLubiminol3-Hydroxynona-4,7-Dienoic Acid11B-Hydroxyprogesterone7-Oxooctanoic AcidSoyasapogenol FEthyl GlucuronideNona-2,4-Dienedioic Acid(2S,3'S)-Alpha-Amino-2-Carboxy-5-Oxo-1-Pyrrolidinebutanoic AcidButylated Hydroxytoluene4,6-Dioxoheptanoic Acid12-Oxo-PdaPulegone18Alpha-Glycyrrhetinic Acid(13Z,16Z)-Tetracosa-13,16-Dienoic Acid4-Methylcatechol 1-SulfateLpg(15:0)6-DeoxoteasteronePyrogallol3-Methyldioxyindole(13Z,16Z)-3-Hydroxydocosa-13,16-Dienoic AcidDiepomuricanin A2,3-Dimethyl-2-Cyclohexen-1-One3-Butylidene-1(3H)-Isobenzofuranone4-Ene-Valproic AcidPicolinic AcidHepta-2,4-Dienoic AcidCinnamaldehydeArtonol C7Alpha-Hydroxydehydrocostus Lactone2-Hydroxybutyric Acid4Alpha-Carboxy-5Alpha-Cholesta-8,24-Dien-3Beta-OlNve_274.1802_16.65-Hydroxyindole-3-Acetic AcidSolstitialin A 13-Acetic Acid3-Hydroxystachydrine3-Hydroxynona-5,7-Dienoic AcidAlpha-Carboxy-Delta-DecalactoneIsopiperitenone{[5-(5-Nitro-2-Furyl)-1,3,4-Oxadiazol-2-Yl]Thio}Acetic AcidEthosuximideN-Myristoyl Glutamine(13E)-11A-Hydroxy-9,15-Dioxoprost-13-Enoic AcidLucidenic Acid C6B-Hydroxy-8A-Methoxy-7(11)-Eremophilen-12,8-Olide3-Carboxy-4-Methyl-5-Pentyl-2-Furanpropanoic AcidPiromidic AcidMaltoxazineVulgarolideAvocadyne 1-Acetate(+-)-ZoapatanolLoracarbefTetranorprostanedioic AcidN-[4-[(6-Methoxypyrimidin-4-Yl)Sulfamoyl]Phenyl]AcetamidePc(Dime(13,5)/Pgj2)(E)-10-Hydroxy-8-Decenoic AcidN-Acetylmuramoyl-AlaDeoxyloganic AcidPeperinic AcidBetalone1-PhenylethanolMatairesinosidePhensuximideFuraneol 4-(6-Malonylglucoside)Dihydrocumambrin ACorchorosol ACanrenone3-(3,4-Dihydroxyphenyl)-2-Methylpropanoic Acid3,4-DimethylidenenonanedioylcarnitineSapidolide A4-Hydroxy-5-Phenyltetrahydro-1,3-Oxazin-2-One(+)-Cis-5,6-Dihydro-5-Hydroxy-4-Methoxy-6-(2-Phenylethyl)-2H-Pyran-2-OneAmineptine2-PentylfuranAcemetacin3-Hydroxyocta-3,5-Dienoic AcidTyrosol GlucuronideCanin2-Methyl-3-Phenyl-2-Propenal(-)-Abscisic AcidTrans-Aconitic AcidDeoxycholylalanineIndole-3-Acetylglutamic Acidgamma-Glu-gamma-Glu-MetN-(3-Methylbut-2-En-1-Yl)-9H-Purin-6-AmineFuranodiene3,7-Dimethyloct-6-EnalCanesceol3,4-DimethylideneheptanedioylcarnitineGlycine-Betaxanthin7A,12A-Dihydroxy-3-Oxo-4-Cholenoic AcidTrenbolone AcetateCis-Aconitic AcidProstaglandin F3AlphaLpg(17:0)ZearalanoneDg(Pgj2/I-15:0/0:0)2-Phenylethanol GlucuronideValtrateLpi(15:0)3,4-Dimethylbenzoic AcidHalleridoneGlycerophosphocholineAtractylenolide IiiAmafoloneLpg(17:1)Pyropheophorbide ATrilostaneLumequic AcidRiddelliine2-C-Methyl-D-Erythritol 2,4-CyclodiphosphateL-Tyrosine Ethyl EsterLuteolinDexamethasone Palmitate3-Hydroxy-C12 Homoserine Lactone6-Carboxy-5,6,7,8-Tetrahydropterin8-Hydroxylinoleic Acid2-Imidazolidinone, 4-Hydroxy-1-(5-Nitro-2-Thiazolyl)-2-OctenoylglycineCinncassiol D4 2-GlucosideCis-3-Hexenyl AcetateLaurenoniolideMaslinic Acid(R)-MethysticinL-Glutamine(3S)-3-(Benzyloxy)-L-Aspartic Acid2,4-Dimethyladipic AcidOxypeucedanin Hydrate5-(10,13-Nonadecadienyl)-1,3-Benzenediol4-Hdohe5-(4'-Hydroxyphenyl)-Gamma-Valerolactone 4'-SulfateGln-Trp(R)-PabulenolIsosakuranetinLpg(15:1)Byssochlamic Acid3Alpha,4,7,7Alpha-Tetrahydro-4-Hydroxy-1H-Isoindole-1,3(2H)-DioneAldosteroneTrans-2-Octenoic AcidHomatropineSchisandrol BMatricinValacyclovir11-Methoxyyangonin2-Hydroxyphenylacetic AcidQuinic Acid5-(2-Methylpropyl)Tetrahydro-2-Oxo-3-Furancarboxylic Acid4-[(Propan-2-Yl)Carbamoyl]Benzoic AcidBetulinSebacic Acid3-Oxododecanoic Acid2',4',6'-TrihydroxydihydrochalconePhosphorylcholine3,8-Dihydroxy-6-Methoxy-7(11)-Eremophilen-12,8-OlideDihydrozeatin O-Beta-D-GlucosideFluticasone 17Beta-Carboxylic AcidMisoprostol AcidPentalenolactone DBeta-ThujaplicinAlphitolic AcidSedoheptulose(3Z)-2-Propylpent-3-Enoic Acid2-Deoxycastasterone1-Cyclohexene-1-Carboxylic AcidPs(Dime(13,5)/Dime(13,5))1-Benzyl-1,2,3,4-TetrahydroisoquinolineOrotic AcidArtemidinol6-(1-Hydroxyethyl)-2,2-Dimethyl-2H-1-Benzopyran(All-Z)-7,10,13-Docosatrienoic AcidGlutathione Episulfonium IonBiperiden3-Hydroxyocta-2,5-Dienoic Acid(3R, 6'Z)-3,4-Dihydro-8-Hydroxy-3-(6-Pentadecenyl)-1H-2-Benzopyran-1-OneUrsodeoxycholic AcidMetaxalone2-Phenyl-3-Buten-OlIsoachifolidieneMethyl Dihydrophaseate(1R,4R,5S,6R)-4-Amino-2-Oxabicyclo[3.1.0]Hexane-4,6-Dicarboxylic Acid1-HydroxybenzotriazoleGanodermic Acid P22'-Hydroxy-5'-MethylacetophenoneCumambrin ANaphthalene-1-Sulfonic AcidOxyresveratrolGlu-LeuPa(Pgf2Alpha/I-17:0)6-Fluoro-Dl-TryptophanPerindopril Acyl-Beta-D-GlucuronideCannabigerolic AcidLimonexic AcidArginine-Glycine-Aspartate-O-Methyltyrosine AmideRphdhd2,4-DimethylphenolScoparone2,3-Dinor-Txb2Medica 16Alpha-ZearalenolTrp-gamma-GluArtemidiolTrans-4-Hydroxycyclohexylacetic AcidPhenylacetylcarnitine2-Methoxy-4-(2-(Methylamino)Propyl)Phenyl Beta-D-Glucopyranosiduronic Acid5-(Hydroxyphenyl)-Gamma-Valerolactone-O-SulphateDec-4-Enedioylcarnitine5-(3E-Pentenyl)Tetrahydro-2-Oxo-3-Furancarboxylic AcidPhenylsuccinic AcidDesomorphine(3R,4S)-2-[6-(Cyclohexylamino)Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-DiolProstaglandin F2Beta1,2,3-TrihydroxybenzeneButyrylcarnitine12S-Hydroxy-5Z,8Z,10E,14Z-Eicosatetraenoic AcidIbuprofen Glucuronide3-EthylphenolAnhydrocinnzeylanol4-EthylphenolSclareolDeoxypyridinolineEstriol2-Furoic Acid4-PropylphenolCyclostenolPortulacaxanthin IiPanaxytriolIsorosmanol3-Dehydro-6-DeoxoteasteroneBisnoryangoninChamissonolidePseudouridineDg(11M5/11D3/0:0)CambendazoleSantamarinHistidylalanineLpi(17:0)(2R,4S)-1-(Tert-Butoxycarbonyl)-4-Phenylpyrrolidine-2-Carboxylic AcidLpg(18:0)Isocitric AcidPriminAlpha-Bisabolol Oxide AN-Docosahexaenoyl GabaPe(Pgf1Alpha/24:1(15Z))Octadecadienylcarnitine3-Methylphenylacetic AcidMaotoPro-HisLpg(18:1)7-MethylcoumarinUrolithin A 3-SulfatePyrano(2,3-C)Pyrazol-6(2H)-One, 3,4-Dimethyl-2-(2-Thienylmethyl)-Dihydrophaseic Acid(3Beta,5Alpha,6Beta,9Alpha,22E,24R)-23-Methylergosta-7,22-Diene-3,5,6,9-TetrolFalecalcitriol25-Hydroxyvitamin D3-26,23-LactolUridine8-AcetylegelolideCapsiateDimercaprol6'-Hydroxybuspirone6-Succinoaminopurine(3Beta,5Alpha,9Alpha,22E,24R)-3,5,9-Trihydroxy-23-Methylergosta-7,22-Dien-6-OneCryptomeridiol 11-Rhamnoside4-Acetamido-2-Amino-6-Nitrotoluene9,13-Dihydroxy-4-Megastigmen-3-One 9-GlucosideMethylprednisolone HemisuccinateDecanal17Beta-Estradiol-3,4-QuinoneDihydrodioscorine5,6-Dihydroxy-8Z,11Z,14Z-Eicosatrienoic AcidTrp-His(E)-2-Tetracosenoic Acid2-Propylglutaric Acid1,10-Epoxy-3,8-Dihydroxy-4,11(13)-Germacradien-12,6-OlideCycloheximide5'-(3'-Methoxy-4'-Hydroxyphenyl)-Gamma-ValerolactoneL-Tyrosine(Z)-3-(1-Formyl-1-Propenyl)Pentanedioic AcidOleanolic Acid1-(2,4-Dihydroxyphenyl)-1-Butanone(6Z,8E)-3-Hydroxydeca-6,8-DienoylcarnitineSucroseSchleicherastatin 2Terephthalic AcidTetrahcaOmega-Carboxy-Trinor-Leukotriene B4Hexadecanal(1R,2R,3S,1'R)-Nepetalinic AcidValproic Acid GlucuronideCalamin(2E,4E)-Hexa-2,4-DienedioylcarnitinePc(Pgd2/Dime(13,5))(3Z,6Z)-3,6-Nonadienal4-(Methylsulfanyl)-2-OxobutanoylcarnitineSorbic Acid(R)-3,4-Dihydro-6,8-Dihydroxy-3-Methyl-1H-2-Benzopyran-1-OneN-Palmitoyl HistidineSenkyunolide NAflatoxin M1GentianineFenoxycarbDeoxynivalenol(+)-Dehydrovomifoliol12-Oxo-2,3-Dinor-10,15-Phytodienoic AcidPropionylcarnitineTolmetin2-(Arabinosylamino)-3-(Glucosylamino)PropanenitrileCarminomycin IiSecoeremopetasitolide AN-Nervonoyl AsparagineVinaginsenoside R2Isodeoxycholic AcidHdmboa-GlcZearalenoneArg-Gln3-Carboxy-4-Methyl-5-Propyl-2-Furanpropionic AcidErucic AcidTetradecanedioic AcidGlycyrrhetinic AcidPentolameN-Lauroyl Serine7Alpha-Hydroxy-3-Oxochol-4-En-24-Oic AcidAristospanEmodinFructosyl-LysineS-(2-Hydroxyethyl)GlutathioneRolipramIndole-3-Acetyl-Beta-6-D-Glucose15S-Hydroperoxy-11Z,13E-Eicosadienoic AcidTrans-P-Coumaroyl Beta-D-Glucopyranoside3,13-Dihydroxytetradecanoic Acid2-Amino-6-MethoxypurineCucurbic Acid1-Ipomeanol5S-Hydroperoxy-6E,8Z,11Z,14Z-Eicosatetraenoic Acid3,4,5,6-Tetrahydrohippuric AcidPc(Pgf1Alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z))Val-Arg6-Heptenoic Acid(Z)-6-(2-Methoxyvinyl)-7-Methyl-2H-1-Benzopyran-2-OneGibberellin A8-CataboliteIndeloxazine5B-Cholestane-3A,7A,12A,23-Tetrol5-DimethylamilorideBetaine Aldehyde HydrateNortriptylineDaminozideAlpha-Elemolic AcidLicoisoflavone AGinsenoside Rh5L-Tyrosine, Ethyl Ester(S)-A-Amino-2,5-Dihydro-5-Oxo-4-Isoxazolepropanoic Acid N2-GlucosidePentopril(11S,13)-Dihydro-8-DeoxylactucinGalactosylhydroxylysineEthylmorphineFarnesiferol BKaempferide 3-[Rhamnopyranosyl-(1->6)-Glucoside] 7-RhamnosideMfa9-Oxononanoic Acid3Z-Dodecenedioic AcidN-Nervonoyl Glutamine4-Hydroxy-3-MethoxybenzenemethanolSetarin(13Z,16Z)-Hexacosa-13,16-Dienoic AcidMactraxanthinDehydroepiandrosterone SulfateClinofibrateDocosanedioic AcidN-Docosahexaenoyl TyrosineEnt-7-Oxo-8(14),15-Pimaradien-19-Oic AcidMephenoxaloneGlycocholic AcidMotolimod7-Ethoxycoumarin4-Methylumbelliferyl AcetateErinapyrone A3-Oxovalproic AcidErinapyrone B1-Methyl-2-Undecylquinolin-4(1H)-OnePhe-His3-(4-Hydroxyphenyl)Propionic AcidP-Butenylphenol SulfateGentianoseLpg(14:0)3-(1,1-Dimethylallyl)ScopoletinDihydro-2-Methoxy-2-Methyl-3(2H)-Thiophenone7-Epi-12-Hydroxyjasmonic AcidL-XyloseN-Arachidonoyl Glutamine1-(Beta-D-Glucopyranosyloxy)-3-OctanoneDihydroferuperine2-Butyl-5-[2-(4-Hydroxy-3-Methoxyphenyl)Ethyl]Furan1-Oleoyl-Sn-Glycero-3-Phosphoglycerol2-(4-Hydroxyphenyl)Benzoic Acid6-MethyluracilTepotinibGlutathione Trisulfide16B-HydroxyestronePseudomonine3,8-Dihydroxy-1-Methylanthraquinone-2-Carboxylic AcidTridec-7-Enoic AcidIsoeugenitolTridecanedioic AcidDeferoxamine2-Hydroxysebacic AcidHeptanedioic Acid4-Hydroxybenzoate2-Phenylbutyric AcidN-Acetyl-D-GlucosamineXylobioseGlutarate SemialdehydeDecadienedioic AcidDomoic AcidAcrl Toxin IiZeranol(+)-CatechinPretyrosinePaullinic AcidXimenic AcidNeocarthamin5-Deoxydiplosporin2,4-Dimethylpimelic Acid1-(9Z-Eicosenoyl)-Sn-Glycero-3-PhosphocholineLevomenolHomovanillic AcidMaltotetraoseS-(3-Methyl-2-Butenyl) EthanethioateCyanidin 7-ArabinosideJasmine KetolactoneL-Glutamic AcidDhelwanginGibberellin A39AciclovirTyramine Glucuronide2-SuccinylbenzoateCitric AcidHarpagoside3-Allylphenol SulfateMycophenolic AcidGibberellin A53Adipic AcidAchillicin2-[(3,4-Dimethylphenyl)Formamido]Acetic AcidDg(11D3/11D5/0:0)Pa(Pgf1Alpha/A-21:0)Hypoxanthine(Z,E)-Tetradeca-9,12-DienolSalfredin B11Avocadyne 4-Acetate15-Deoxy-Delta12,14-Prostaglandin J2Gardenin BMoroxydine7,8-DihydroyangoninMonocyclohexyl Phthalate5-Pentyltetrahydro-2-Oxo-3-Furancarboxylic Acid3-Oxostearic AcidMyristoleic AcidBeta-Zearalenol2-Oxoglutaric AcidGibberellin A20Cytarabine2-Amino-3-Methylbenzoic AcidNateglinide8-DeoxylactucinL-Cysteine, N-Acetyl-, Ethyl Ester4-Hydroxy-5-(Phenyl)-Valeric Acid-O-GlucuronideTrans-Crocetin(3Beta,17Alpha,23S)-17,23-Epoxy-3,29-Dihydroxy-27-Norlanost-8-En-24-One2-(Nonylphenoxy)Ethanol5-Hydroxy-2,3-Dimethyl-1,4-NaphthoquinonePantolactoneGlycerophosphoinositolAdenineGlu-IleN-Fructosyl Phenylalanine5-(3',4',5'-Trihydroxyphenyl)-Gamma-Valerolactone-O-Methyl-O-SulphateArg-Lys12(13)Ep-9-KodeEnalaprilatDodecenoylcarnitineInosineGarcinoic Acid2-Methyl-2-Phenylsuccinimide2-Methylhippuric AcidGanoderiol FLevonordefrinRufinamide4-Oxo-2-Propylpentanoic AcidNervonic AcidPanthenol3-Pyridylacetic AcidCarnosol(E)-5-(3,4,5,6-Tetrahydro-3-Pyridylidenemethyl)-2-Furanmethanol3-Hydroxy-3-PhenylpentanamideEstrone SulfateIndole-3-Acetamide4-(4-Methylphenyl)Pentanoic Acid(22R,23R)-22,23-DihydroxycampesterolM-Coumaric AcidNootkatol17Alpha-EstradiolVanylglycolAceteugenolS-(3-Methylbutanoyl)-Dihydrolipoamide-ETheophyllineOxyglutinosone11-Beta-Hydroxyandrosterone-3-Glucuronide(Z)-1-(Methylthio)-5-Phenyl-1-Penten-3-Yne(2E)-Non-2-Enedioic AcidDinor-12-Oxophytodienoic Acid3-Methylsuberic AcidSalidrosideApigeninPropofolN-Acetyl-9-Aminominocycline, (4R)-DipivefrinShikimic AcidPinolidoxinL-Acetylcarnitine(All-E)-3,5,7-Tridecatriene-9,11-Diyn-1-Ol1-(4-Hydroxy-3-Methoxyphenyl)-3-DecanoneViscidulin IPhysagulin AOlivetonideOvalicinCitreoviridinol A1Deca-2,5-Dienedioic AcidVisnadin1,2,2-Trimethylcyclopentane-1,3-Dicarboxylic AcidFaropenemHymeninCyclohexanecarboxylic Acid3,6-Epoxy-5,5',6,6'-Tetrahydro-B,B-Carotene-3',5,5',6'-Tetrol6-KetoestriolVelaresol3B-Hydroxy-6B-Methoxy-7(11)-Eremophilen-12,8A-OlideAlpha-Zearalanol3-Hydroxynona-4,6-Dienoic AcidPantetheineBefunololDeoxycholylvaline3,5,6-Trihydroxy-5-(Hydroxymethyl)-2-Methoxy-2-Cyclohexen-1-OneLpi(16:0)11-Hydroxy-9-Tridecenoic AcidHomodolicholide3-Methoxyphenylacetic AcidNonateFipexideBufalin(1R,6R)-6-Hydroxy-2-Succinylcyclohexa-2,4-Diene-1-Carboxylate(R)-2-Hydroxystearic AcidLipoteichoic AcidNicotinic AcidAcifran3,4-DimethylidenehexanedioylcarnitineUndecanedioic AcidJervineCrocin5-Heptyltetrahydro-2-Oxo-3-Furancarboxylic AcidAmbonic AcidLpg(16:0)EstetrolEpicatechinD-Linalool 3-(6''-Malonylglucoside)Pisumic AcidCyclopassifloside Vii12-Hydroxyjasmonic Acid GlucosideArctiopicrinLpg(16:1)Nona-3,5,7-Trienoic AcidPc(Dime(11,5)/Pgj2)13,16-Docosadienoic Acid2-Hydroxymyristic Acid2-Methyl-6-(2-Phenylethenyl)Pyridine2-Oxo-4-Phenylbutanoic AcidPhenylacetic Acid1-Naphthaleneacetic Acid3Alpha,4,5,7Alpha-Tetrahydro-5-Hydroxy-1H-Isoindole-1,3(2H)-DionePentacosanoylglycinefalseUntargeted LC-MS metabolomics of contaminated soil samplesUntargeted LC-MS metabolomics was performed on six contaminated soil samples divided into two experimental groups (A and B) to characterize metabolic profiles and investigate differences between the groups. Samples were analyzed in both positive and negative ionization modes using UHPLC coupled to high-resolution mass spectrometry.2026-10-072026-10-06MTBLS15935HMDB0000568HMDB0029598HMDB0002393HMDB0013716HMDB0302470HMDB0000640HMDB0251271HMDB0031943HMDB0029054HMDB0002923HMDB0240650HMDB0039818HMDB0060071HMDB0000721HMDB0003045HMDB0029126HMDB0006248HMDB0028876HMDB0244974HMDB0000202;LMFA01170118;PW_C000130HMDB0255737HMDB0062407HMDB0251525HMDB0341379HMDB0245208HMDB0247583HMDB0030042HMDB0252486HMDB0038228HMDB0249282HMDB0251529HMDB0034270HMDB0257235HMDB0000070;HMDB0000716;HMDB0000070HMDB0060959HMDB0000300;PW_C000204HMDB0000267;PW_C000182HMDB0000132;PW_C000086HMDB0246408HMDB0014748;HMDB0245769HMDB0247961HMDB0006050HMDB0000239;PW_C000161HMDB0004985HMDB0001545;PW_C001188HMDB0240251HMDB0001888HMDB0255916HMDB0029637;HMDB0303310HMDB0245532HMDB0002249HMDB0000112;PW_C000071HMDB0240266HMDB0013188HMDB0012308HMDB0258487HMDB0246747HMDB0031215HMDB0256387HMDB0000512HMDB0062175HMDB0034367HMDB0246301HMDB0244411HMDB0011716HMDB0254682HMDB0341389HMDB0011737HMDB0000068;PW_C000048HMDB0011741HMDB0256040HMDB0304051HMDB0031876HMDB0250956HMDB0247339HMDB0040630HMDB0006809HMDB0000738HMDB0011171HMDB0035177HMDB0000033HMDB0032138HMDB0040761HMDB0011170HMDB0002012HMDB0304052HMDB0033063HMDB0061822HMDB0033471HMDB0302401HMDB0241109HMDB0246433HMDB0252556HMDB0248093HMDB0010357HMDB0250396HMDB0000489HMDB0000788HMDB0249054HMDB0029326HMDB0060758HMDB0340869HMDB0000842HMDB0060850HMDB0032074HMDB0000714;HMDB0011723;HMDB0000714HMDB0002832HMDB0015125HMDB0249592HMDB0028933HMDB0302686HMDB0003701;PW_C001957HMDB0041584HMDB0255498HMDB0014333HMDB0094680HMDB0002641HMDB0254752HMDB0015323;PW_C009605HMDB0006548HMDB0011180HMDB0000234;LMST02020002;PW_C000157HMDB0294806HMDB0258034HMDB0250883HMDB0249582HMDB0036627HMDB0258443HMDB0340641HMDB0013200HMDB0060526HMDB0000319HMDB0040216HMDB0061073HMDB0029165HMDB0254107HMDB0251736HMDB0032064HMDB0029093HMDB0036137HMDB0014640;PW_C009000HMDB0015314;PW_C009596HMDB0000779HMDB0029645HMDB0000954HMDB0341022HMDB0304166HMDB0013960HMDB0001190HMDB0028967HMDB0244334HMDB0013899;LMFA01050494;PW_C008641HMDB0060564HMDB0013302HMDB0040778HMDB0253478HMDB0244101HMDB0035287HMDB0256851HMDB0059925HMDB0341346HMDB0241030HMDB0010347HMDB0248170HMDB0034684HMDB0036901HMDB0302593HMDB0258915HMDB0031681HMDB0242536HMDB0014568HMDB0036177HMDB0005016HMDB0000375HMDB0094673HMDB0014887;PW_C009220HMDB0030348HMDB0036761HMDB0029338HMDB0257162HMDB0014861HMDB0252704HMDB0252831HMDB0034047HMDB0033950HMDB0030087;HMDB0253870HMDB0005783HMDB0030328HMDB0000350HMDB0303570HMDB0014366HMDB0060285;HMDB0245270HMDB0039633HMDB0032544HMDB0036074HMDB0030791HMDB0255213HMDB0029829HMDB0004487HMDB0013989HMDB0341198HMDB0032173HMDB0255754HMDB0035414HMDB0245846HMDB0015055HMDB0256205HMDB0002214HMDB0036686HMDB0059851HMDB0340710HMDB0258305HMDB0242647HMDB0249836HMDB0001983HMDB0006762HMDB0032861HMDB0302466HMDB0340682HMDB0031483HMDB0246346HMDB0036768HMDB0252206HMDB0246489HMDB0256646HMDB0244608HMDB0013627HMDB0041962HMDB0039531;HMDB0254137HMDB0253144HMDB0034732HMDB0302428HMDB0036667HMDB0014785;HMDB0253915;PW_C009130HMDB0002664HMDB0028957HMDB0062780;LMST02020057HMDB0035601HMDB0038841HMDB0061838;HMDB0059878;LMPR0103060015HMDB0252313HMDB0039531HMDB0031038HMDB0256560HMDB0014583HMDB0304031HMDB0251858HMDB0001383HMDB0035116HMDB0006254HMDB0249327HMDB0245073HMDB0039125HMDB0247607HMDB0036356HMDB0031621HMDB0246585HMDB0000277HMDB0034450HMDB0249085HMDB0242516HMDB0032561HMDB0000933HMDB0032797;LMFA02020001HMDB0060552HMDB0031313HMDB0250946HMDB0036471HMDB0030931HMDB0014812HMDB0243925HMDB0036648;LMPR0103410006HMDB0031260HMDB0256610HMDB0247615HMDB0062429HMDB0030759HMDB0035759HMDB0245756HMDB0248527HMDB0251290HMDB0030456HMDB0036461HMDB0000235;PW_C000158HMDB0252409HMDB0028704HMDB0034462HMDB0246427HMDB0037789HMDB0033527HMDB0035293HMDB0060841HMDB0258262HMDB0014737HMDB0060668HMDB0037770HMDB0035798HMDB0034945HMDB0256021HMDB0039645HMDB0015285HMDB0249434HMDB0094753HMDB0036641HMDB0251938HMDB0247752HMDB0012273HMDB0255442HMDB0251974HMDB0002117;LMFA08010004HMDB0245671HMDB0012983HMDB0041803HMDB0245597HMDB0249402HMDB0258632HMDB0028978HMDB0249451HMDB0242072HMDB0059605HMDB0060530HMDB0013866HMDB0251358HMDB0247306HMDB0031659HMDB0030898HMDB0258607HMDB0002394;LMST01010059HMDB0062387HMDB0303811HMDB0031195HMDB0001494;PW_C001151HMDB0032673HMDB0252101HMDB0000782;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;LMST01120008HMDB0012452HMDB0006059HMDB0033663HMDB0038163HMDB0000982;HMDB0257731HMDB0040284HMDB0250962HMDB0013804HMDB0060531HMDB0060565HMDB0259906HMDB0242615HMDB0000313;HMDB0000335;LMST02010041HMDB0015359HMDB0014257HMDB0243990HMDB0244368HMDB0040833HMDB0034146HMDB0242247HMDB030480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