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ts/studies/public/MTBLS15556/FILES/RAW_FILES/LCMS_neg/HFX5_CN4_FZTM210158049-1A.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15556/FILES/RAW_FILES/LCMS_neg/HFX5_CN1_FZTM210158035-1A.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15556/FILES/RAW_FILES/LCMS_neg/HFX5_943632_CN_QC6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15556/FILES/RAW_FILES/LCMS_pos/HFX5_943632_CP_QC7.rawprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15556<p> Molecular formulas were predicted from accurate precursor masses, adducts and fragment ions. Features were matched against mzCloud, mzVault and MassList using accurate-mass and MS/MS evidence. Metabolite annotations were supplemented with HMDB, KEGG and LIPID MAPS identifiers where available. The metabolite annotation files report metabolite or feature names, m/z, retention time, database identifiers, chemical formulas and per-sample relative abundances.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p> Reversed-phase UHPLC separation was performed using a Vanquish UHPLC system (Thermo Fisher Scientific) with a Hypersil Gold C18 column (100 × 2.1 mm, 1.9 μm; Thermo Fisher Scientific) at 0.2 mL/min using a 17-min method. For positive-ion mode, mobile phase A was 0.1% formic acid in water and B was methanol. For negative-ion mode, A was 5 mM ammonium acetate, pH 9.0, and B was methanol. The gradient was 2% B for 1.5 min, 2–85% B at 3 min, 100% B at 10 min, 100–2% B at 10.1 min, and 2% B at 12 min.</p>Untargeted metabolomic profiling of nutrient supplementation during Agaricus bisporus cultivation.Qian WangShanghai Academy of Agricultural sciencescompostsolventmass spectrometry assay<p> Fresh compost samples (100 mg) were ground under liquid nitrogen and resuspended in pre-chilled 80% methanol with thorough vortexing. Samples were incubated on ice for 5 min and centrifuged at 15,000 × g at 4 °C for 20 min. An aliquot of supernatant was diluted with LC-MS-grade water to a final methanol concentration of 53%, transferred to a fresh tube, and centrifuged again at 15,000 × g at 4 °C for 20 min. The final supernatant was injected into the LC-MS/MS system. Pooled-QC and solvent-blank acquisitions were included.</p>Agaricus bisporusblank samplehttps://www.ebi.ac.uk/metabolights/MTBLS15556Qian Wang. Shanghai Academy of Agricultural sciences. leafeon985@gmail.com.Wang Qian.<p> Thermo Scientific Compound Discoverer 3.1 was used for retention-time alignment, feature detection, peak-area integration and relative quantification. Processing used a retention-time tolerance of 0.2 min, mass tolerance of 5 ppm, signal-intensity tolerance of 30% and signal-to-noise threshold of 3. Peak intensities were normalized to total spectral intensity, and metabolites with a coefficient of variation below 30% in QC samples were retained for downstream analysis.</p>Cultivation stageNutrient supplementationleafeon985@gmail.com<p>Fresh compost samples were collected at six cultivation stages: B, completion of tunnel spawn run; M, immediately before cooling when vegetative mycelial growth transitioned toward reproductive growth; P, pinhead stage; F, first flush at harvest maturity; S, second flush at harvest maturity; and T, third flush at harvest maturity. CK denotes unsupplemented control compost, and MC denotes compost supplemented with 1.0% (m/m) nutrient additive. B was the common pre-supplementation baseline.</p><p>For tunnel samples, compost was divided into three sections located 5 m apart. Three subsamples were collected vertically at 70 cm intervals in each section. The nine subsamples were pooled and divided into biological replicates. For cropping-room samples, nine subsamples were collected randomly from different bed positions after removing the casing soil. The middle approximately 10-cm-thick compost layer was collected, pooled, and divided equally into biological replicates. Samples used for metabolomics comprised six biological replicates per experimental group.</p>MetabolomicsAgaricus bisporuspooled quality control sampleMetabolomicsuntargeted metabolomicsuntargeted analysiscompostsolvent blankVanquish UHPLC system (Thermo Fisher Scientific)Q Exactive HF-X Orbitrap mass spectrometer (Thermo Fisher Scientific)experimental sampleblank sampleNegativePositivesolventnutrient supplementationAgaricus bisporuspooled quality control sampleMetabolomicsuntargeted metabolomicsuntargeted analysiscompostsolvent blankVanquish UHPLC system (Thermo Fisher Scientific)Q Exactive HF-X Orbitrap mass spectrometer (Thermo Fisher Scientific)experimental sampleblank sampleNegativePositivesolventnutrient supplementation<p> Mass spectrometry was performed on a Q Exactive HF-X Orbitrap mass spectrometer (Thermo Fisher Scientific) with electrospray ionization in separate positive- and negative-ion assays over m/z 100–1500. The spray voltage was 3.2 kV, capillary temperature 320 °C, sheath gas 40 arbitrary units, auxiliary gas 10 arbitrary units, funnel RF level 40, and auxiliary gas heater temperature 350 °C. Pooled-QC data-dependent MS/MS acquisitions covered m/z 100–510, 500–1010 and 1000–1500 for each polarity.</p>O-Phospho-L-serinealpha-FarneseneLeu-ProCorticosteroneProstaglandin G2RiboflavinCaprolactamLimoninEicosapentaenoic acid ethyl ester13(S)-HOTrEN-Acetyl-L-histidine2-MethylnicotinamideN-DesmethyltramadolKinetinL-HistidineNormorphineCholest-4-en-3-one2-Arachidonoyl glycerolDL-o-Tyrosine7��-HydroxytestosteroneL-TyrosinemethylesterD-SphingosineBiotinArecolineTropolone2-MethylbutyroylcarnitineHexanoylcarnitinePilocarpineJasmoneL-Asparagine20-Carboxy-Leukotriene B4allantoateParacetamol2-Methoxyestrone7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one5,6-dihydroxyindoleEstriol2'-O-MethyladenosineBoldioneEtiocholanoloneN-Acetylglutamic acidDL-Serine6-MethylquinolineTetrahydrocorticosteroneD-(+)-Maltose5-HydroxytryptopholFexofenadineMaltopentaose11-OxoetiocholanoloneIsophoroneN6-Methyladenine1,4-Dihydro-1-Methyl-4-Oxo-3-PyridinecarboxamideOleamide10-Undecenoic acidMesalamine2,4-dihydroxyheptadec-16-en-1-yl acetateVindolineGuanosine7-KetocholesterolGlyceraldehyde 3-phosphateL-Ornithine2,3-Pyridinedicarboxylic acid17alpha-Hydroxyprogesterone4-Methoxycinnamic acidN-Formylkynurenine1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-oneProstaglandin F2alphaLPE 22:6Phenylethanolamine3-(3,4,5-trimethoxyphenyl)propanoic acidL-FucoseMupirocin4-MethoxybenzaldehydeAlanyltyrosineUMPRetrorsine2-PhenylglycineAndrostenedioneHomogentisic AcidHydroxyprogesterone caproateIndoleN-(5-Aminopentyl)acetamideProlineProstaglandin A210-Nitrolinoleate6-Keto-prostaglandin f1alphaL-Carnitineo-Cresol13-OxoODE1,2-dihydroxyheptadec-16-yn-4-yl acetateAdenosineGlycoursodeoxycholic acidIndole-3-acetic acidN-Acetyl-L-glutamic acidTomatidine2-Hydroxycinnamic acidSulfamerazineL-Tyrosine2-(14,15-Epoxyeicosatrienoyl) glycerolAla-trpL-DopaPC (18:2/18:2)��-Nicotinamide mononucleotideD-Erythrose 4-phosphateCyclohexaneacetic acidHydrocortisone acetateNorfludiazepam2-DeoxyuridinePhe-ProL-Phenylalanine3-hydroxy-3-methylpentanedioic acid5-MethylcytosineAla-Leu5-Phenylvaleric AcidTraumatic acidIsoproterenolPropionyl-L-carnitineN6-Acetyl-L-LysineN-Acetyl-D-galactosamine4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acidgamma-GlutamyltyrosineOleanolic acidGlycylprolineVeratroleEcgonineCarbendazimgamma-GlutamylleucineTetrahydrocortisoneFolinic acidErgosterol peroxidePleuromutilinCelestolideAvocadyne 1-acetateDeoxynivalenolPropionylcarnitineL-IditolPsychosineL-CystathionineN-(2-Furoyl)glycineUreidoisobutyric Acidp-Mentha-1,3,8-trieneDL-TryptophanTrehaloseDebromohymenialdisineGuanine2-NaphtholO-Acetyl-L-carnitinePiperineAcetophenoneRitalinic acidEpinastineConiferinAcetyl-L-carnitine1,4-dihydroxyheptadec-16-en-2-yl acetate6-Phosphogluconic acidEpitestosterone7-Methylguanine6-Pentyl-2H-pyran-2-one1-MethyladenineNorcodeineLevalbuterol3-(4-hydroxy-3-methoxyphenyl)propanoic acidLinoleoyl ethanolamideGalanginPrednisolone tebutateTiglic acidCortisolSPHPipecolic acidIndole-3-acrylic acidMethyl cinnamateBetaineN-MethylhydantoinPruninHesperetin6-Acetylmorphine6-Hydroxynicotinic acidTrimethyllysineCinnamoylglycineEsculetinAsp-PheEnrofloxacinHydroquinoneIsoquinolinePyridostigmineP-Aminohippuric AcidL-LysineEcgonine methyl esterN-BenzylformamideCys-GlyDithranol4-Oxoretinol1-Methylhistidine2-Isobutyl-3-methoxypyrazine16��-HydroxydehydroepiandrosteroneProstaglandin J2CholecalciferolThyminePhysostigmineTetranor-12R-HETE5'-Deoxy-5'-(Methylthio)Adenosine1-PalmitoylglycerolVitamin E Acetate1-MethyladenosineEthyl parabenTestosterone glucuronideMonoolein3-(3,4-dihydroxyphenyl)propanoic acidAnthranilic acidCoenzyme Q2Gamma-Glu-LeuGuanidineacetic acidAla-ValL-argininedihydrotachysterol2-Hydroxyhippuric acidL-Threonine4-Guanidinobutyric acid9-KODE5-HydroxytryptophanAtropineL-SaccharopineD-Alanyl-D-alanineKynurenic acidAndrographolide4-Ethylbenzaldehyde3-Indoleacrylic acidPyridoxalTrigonellinePalmitoylethanolamide8-HydroxyguanosineMuramic acidLeukotriene E4Isopropyl myristateStyreneL-5-Hydroxytryptophan1-MethylguanosineL-Histidinol2,6-Di-tert-butyl-1,4-benzoquinoneStearoyl EthanolamideCelastrolArtemisininPyrrole-2-carboxylic acidCarnosineMalvidinCystine3-MethoxytyramineOctanedioic acidL-Tryptophan3-MethylcrotonylglycineGlu-GlnSalsolinolDiaminopimelic acidOxoamideNitrofurantoinSerotoninKojic acidN-Stearoyl taurine4-Guanidinobutanoic acidgamma-TocopherolCholesterolTestosterone2-Hydroxy-6-AminopurinePsoralidinO-DesmethylnaproxenL-HomocitrullineLeucylprolineEicosapentaenoic acidUracil8-HydroxyquinolineCuminaldehydeAla-IleMorphineMaltotetraoseL-KynurenineCannabidiolic acidNNKDehydrocholic acid15-AcetyldeoxynivalenolArachidonoyl amide3,5-Diiodotyrosine2-HydroxyphenylalanineIDPDesmethylclozapineDL-CitrullineFenpropimorphOctopine3,4-Dihydroxyphenylpropionic acidCytosineArachidonic acid methyl esterL-CystineDL-CarnitinePurpurinHomoarginineErgocalciferolPaliperidoneN-Acetyl-5-aminosalicylic acidCoumarinL-CycloserineNicotinate ribonucleoside1,2-DipalmitoylphosphatidylglycerolParaxanthineD-3-Phenyllactic acidLPE 19:1Palmitoyl ethanolamideGluconolactoneHeptadecanoic Acid5-trans-Prostaglandin E23-Hydroxypicolinic acid2,6-DihydroxypurineTriptolide2-Methoxybenzaldehyde5-HydroxyindoleDiacetoxyscirpenolL-Glutamic acidPalmitoleic Acid(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acidD-Ala-D-AladAMPNicotinuric acidCortisoneGly-PhedopaquinoneInosineMethylimidazoleacetic acidDesthiobiotinPanthenolD-PanthenolArachidonic acidPregnenolone3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one1,7-bis(4-hydroxyphenyl)heptan-3-oneVitamin ANorharmanOxymorphoneAla-GlnStearamideTyramine4-Phenylbutyric acid16��-HydroxyestroneSedanolideMaltotrioseGly-ValTricyclazole3,5-Dimethoxybenzoic acidGatifloxacin4-Phenyl-3-buten-2-oneN-PhenylacetylglutamineKahweolN-AcetylhistamineN4-AcetylcytidineLinustatinNicotinamidePhylloquinoneWithanolide A2,4-DimethylbenzaldehydeMethyl dihydrojasmonateDextrorphanTetramethylpyrazine3-Methyl-2-oxobutanoic acidAzetidine-2-carboxylic acid3-(3-Methoxyphenyl)propionic acid13-HPODEEstradiol BenzoateMaslinic acid4-DeacetylneosolaniolN-AcetylornithineDesoxycortonePicolinic acidD-GlucarateThr-LeuSkatoleN7-Methylguanosine(9cis)-RetinalCholine GlycerophosphatePyridoxamineL-Pyroglutamic acidAll-Trans-13,14-Dihydroretinol9-Oxo-ODEBiochanin A7-hydroxy-3-phenyl-4H-chromen-4-one2-PhenylethylamineFludrocortisone acetateAndrosteroneDiflorasoneDeoxyguanosineCholineAcetylcholineLPE 18:35-OxoETECamptothecin2-(3,4-dimethoxyphenyl)ethanamineUrsodeoxycholic acidL-Alanyl-L-prolinehydroxyphenylpyruvateD-Fructose 6-phosphate8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-oneTryptophanolProscillaridin AUDPCarvoneInositol7-MethylxanthineIndole-3-pyruvic acid3-MethylindoleGlycyl-L-leucineS-AdenosylhomocysteineT-2 TriolHistamineDiosgeninTetranor-PGDMPicrotoxinin2'-Deoxyadenosine3'-HydroxystanozololINHPhe-PheJervineMethionine sulfoxideThromboxane B2L-ArgininosuccinateHexadecanamideOxazepam5-Methyl-2'-deoxycytidineGly-TyrSenecionineCynaropicrinDihydrothymineKanosamineMedroxyprogesterone16(R)-HETEEpinephrineN-Acetyl-L-glutamate3-N-Methyl-L-histidineN-Acetyl-L-leucineImidazoleacetic acidPhosphocholine2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one2'-DeoxyguanosineValylprolinePregnanetriolNorbuprenorphineBiopterinTaurodeoxycholic AcidLPE 16:0falseUntargeted metabolomic profiling of nutrient supplementation during Agaricus bisporus cultivation<p>This study investigated stage-specific metabolomic responses of Agaricus bisporus compost to a commercial nutrient supplement (MC) compared with an unsupplemented control (CK). Untargeted UHPLC–MS/MS metabolomics was performed across different cultivation stages to characterize metabolite changes associated with compost carbon and nitrogen utilization and mushroom production.</p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