MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14711/m_MTBLS14711_LC-MS_alternating_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14711/s_MTBLS14711.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14711/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14711/a_MTBLS14711_LC-MS_alternating_reverse-phase.txtprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14711<p>The metabolites were identified by accuracy mass (mass tolerance &lt; 10 ppm) and MS/MS data (mass tolerance &lt; 0.02Da) which were matched with HMDB, massbank and other public databases and our self-built metabolite standard library. In the extracted-ion features, only the variables having more than 50% of the nonzero measurement values in at least one group were kept.</p>MetaboLightsPublicLiquid Chromatography MS - alternating - reverse-phase<p>For liquid chromatography (LC) separation, samples were analyzed using a ACQUITY UPLC® HSS T3 column (2.1×100 mm, 1.8μm)(Waters, Milford, MA, USA). The flow rate was 0.3 mL/min and the mobile phase contained: A: 0.1% FA in water and B: 100% acetonitrile (ACN). The gradient was 0% buffer B for 2 min and was linearly increase to 48% in 4 min, and then up to 100% in4 min and maintained for 2 min, and then decreased to 0% buffer B in 0.1 min, with 3 min re-equilibration period employed.</p>Molecular Omics Unveils the Antimicrobial Mechanism of UV-LED-Induced Chitosan Composite Film Against Penicillium itali-cum.Xihua UniversityChunxiao LeiP. italicummass spectrometry assay<p>The metabolites were extracted from cell residue with 1 mL precooled methanol/acetonitrile/water (v/v, 2:2:1) under sonication for 1 h in ice baths. The mixture was incubated at -20 °C for 1 h followed by centrifugation at 14,000 g, 4 °C for 20 min, and then transferred to the sampling vial for LC-MS analysis</p>P. italicumhttps://www.ebi.ac.uk/metabolights/MTBLS14711Yage Xing. Xihua University. xingyage1@163.com.Chunxiao Lei. Xihua University. 1768073186@qq.com.<p>The raw MS data were processed using MS-DIAL for peak alignment, retention time correction and peak area extraction.</p>Dose1768073186@qq.com<p>The P. italicum was cultured on potato dextrose agar (PDA) medium at 28 °C for 3–5 days. A 4 mm-diameter mycelial plug of P. italicum was then transferred into 20 mL of potato dextrose broth (PDB) medium. The fungus was subsequently subjected to the following experimental treatments: Group A:Chitosan and titanium dioxide and silver composite film solution treated with combined UV (365 nm, 2.0 kJ/m²) and red light irradiation for 90 min; Group B: Chitosan and titanium dioxide and silver composite film solution treated with combined UV (365 nm, 2.0 kJ/m²)and red light irradiation for 60 min; Group C:Chitosan and titanium dioxide and silver composite film solution treated with combined UV (365 nm, 2.0 kJ/m²) and green light irradiation for 90 min; Control (CK): no treatment applied</p>Metabolomicsflow injection analysisMetabolomicsTranscriptomicsP. italicumuntargeted analysisexperimental blankion mobility separationdata-dependent acquisitionPenicillium italicumThermo Scientific Q Exactive PlusShimadzu Nexera UHPLC system (LC-30AD pump and CBM-20A controller)flow injection analysisMetabolomicsTranscriptomicsP. italicumuntargeted analysisexperimental blankion mobility separationdata-dependent acquisitionPenicillium italicumThermo Scientific Q Exactive PlusShimadzu Nexera UHPLC system (LC-30AD pump and CBM-20A controller)<p>The HESI source conditions were set as follows: Spray Voltage:3.8kv (positive) and 3.2kv (negative); Capillary Temperature:320°C; Sheath Gas (nitrogen) flow: 30 arb (arbitrary units); Aux Gas flow: 5 arb; Probe Heater Temp: 350 °C; S-Lens RF Level:50. The instrument was set to acquire over the m/z range 70-1050 Da for full MS. The full MS scans were acquired at a resolution of 70,000 at m/z 200, and 17,500 at m/z 200 for MS/MS scan. The maximum injection time was set to for 100 ms for MS and 50 ms for MS/MS. The isolation window for MS2 was set to 2 m/z and the normalized collision energy (stepped) was set as 20, 30 and 40 for fragmentation.</p>D-Leucine2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acidSolanidine8-Isoquinolinol, 1,2,3,4-tetrahydro-7-(2-(hydroxymethyl)-4,5-dimethoxy-1-naphthalenyl)-1,3-dimethyl-, (1R,3R,7R)-N-Fructosyl isoleucineN-AcetyldopaminePC(16:0/18:2)GuaiacolProlylprolineThr-Val-LeuPE(16:0/20:4)Tert-Butyl (1-{N-[(7S)-7-(Acetylamino)-1,2,3-Trimethoxy-9-Oxo-5,6,7,9-Tetrahydrobenzo[A]Heptalen-10-Yl]-L-Isoleucyl}Piperidin-4-Yl)CarbamateAltretamine(Z)-9,12,13-trihydroxyoctadec-15-enoic acid4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acidO-acetyl serine betaineMmv019551Mls001148620PFSA-ClD-Gulono-1,4-lactone2,3-Dinor-TXB1Antibiotic PF 10522-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid2,3-Dinor-TXB2Kinetin RibosideMethyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylateCitrulline2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-(3-methoxyphenyl)carboxamideProthioconazoleHydroxypyruvic acidAmphetamineN-EthylglycineRhodiooctanoside6,8-Dihydroxy-2-methylmercaptopurine4-Hydroxybenzaldehydemethyl 2-[(4-hydroxyphenyl)methylene]-3-oxobenzo[b]furan-5-carboxylateAlbocyclineCyclopentylamineCyclohexylamineFuroguaiaoxidin2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneLauryl DiethanolamideTiapride7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate4-((9S)-3,5,14-trihydroxy-10-((E)-((1-hydroxybutan-2-yl)imino)methyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-oneN6-Acetyl-L-lysine2,4-Thiazolidinedicarboxylic acid, 2-methyl-Photopyrone G3-Methoxytyrosine3',5'-Cyclic GMPAcetoacetaldehydeMevalonic acidAlanylleucine2'-O-MethylguanosineArginine2-methoxy-6-[(triphenylmethoxy)methyl]-2H-3,4,5,6-tetrahydropyran-3,4,5-triol6-chloro-2-(trichloromethyl)chromen-4-one(2-Isobutyrylamino-Acetylamino)-Acetic Acid4-CoumaroylputrescineN-[4-(acetylamino)-2-({3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-( hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)](2H-3,4,5,6-tetrahydropyran -2-yl)}amino)phenyl]acetamide(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acidDimethylaminopropyl Lauramide2,8-Dihydroxyquinoline3-Hydroxy-2-methylpyridine-4,5-dicarboxylatePro-GlnIsoflavone base + 1O, 1MeO, O-Hex-HexFMNN2-gamma-L-Glutamyl-L-arginine1-Hydroxypyrrolidine-3-carboxylic acid5-HydroxylysineValylIsoleucineCaffeic acidIsoleucyl-Prolyl-IsoleucineLoxoprofenPyroGlu-Metgamma-GlutamylphenylalanineArabinonic acidPC(16:0/18:1)OleamideBenzoylcholine2,6-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3-(3-methoxyphenyl)pyrimidin-4(3H)-oneIsradipineLidocaineCyazofamidN-Acetylneuraminic acid2-Cyclopenten-1-onePantothenic acidGlycerol 3-phosphateN-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxybutanamideEudesmin2,4-Dimethyl-1,3-oxazole-5-carboxylic acidDaucic acidEupalinolide KPhe-Gln3-Methylazelaic acidGlutamylphenylalanineMalonic semialdehydeShikimic acidGlycerophosphoglycerolMyrcene2-(2-acetylbenzimidazolyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamideiodinated analogue of makaluvoneBicifadineDifluoro(perfluoromethoxy)acetic acid2,3-DideoxyuridinePhenylalanylalanineAcetylglycineCDP-CholineLPC(18:3)Lavendustin BGlycylvalinePhthalic acidAminoadipic acid(2Z)-3-[N-(carboxymethyl)carbamoyl]prop-2-enoic acidLeucylvaline4-Methylphthalic anhydrideProlylalanineHomoarecoline(E,2S,3R,4R,5S)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acidUnk-DL-Val-DL-xiThr-DL-Ser-OMeDiaminopropane2-Amino-9H-pyrido(2,3-b)indoleMethyl 2-HydroxyisobutyrateUMP7-O-MethylbavachinPC(18:3/18:3)Rotenolone IIChenodeoxycholic acidOrnithineUDP-GalNacN-Acetylaspartylglutamic acidLPC(18:2)1,5,8-trihydroxy-4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-oneAngelinN-Valyltryptophan8,12-Octadecadienoic acidSerineDextromethorphanGlutathione (oxidized)Benzyl glucopyranosideN-(4-fluorophenyl)-2-(4-hydroxyquinazolin-2-ylthio)acetamidePhe-ThrAsparagine propyl esterDesacetyl (7)Khivorinic Acid, Methyl EsterIsocitric acidEremopetasinorolDibutylamineFuranone APhenylalanylglycineGlycerate2-(4-methoxyphenyl)ethyl 6-O-a-L-arabinopyranosyl-b-D-glucopyranoside6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-oneCyclo(Pro-Leu)IsoleucylaspartateLPC(18:1)13-OxoODE11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acidValylphenylalanine6-Hydroxypseudooxynicotine[(3aR,4S,6R,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoateAdenosine7-Epijasmonic acid2,2-Difluoro-1,3-benzodioxole-4-carboxylic acidCitronellyl acetate3-Hydroxy-4-methoxymandelatecis-12-Oxophytodienoic acid3-[5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneCyasteroneUric acidAlanylvalineMethylene-imidazolePiceidOxyphenonium1-Cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid(2S)-1-[(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid3-Hydroxytetradecanedioic acidStearic acid amideDigalacturonateFructosyl-lysineD-Erythrose 4-phosphateSalsolinol-1-carboxylic acidValyltyrosineLPC(18:0)Tri(butoxyethyl)phosphateBisphenol AFTalatisamineDodecanamide3-Hydroxycapric acidStearidonic acidValylvaline4,1-BenzoxazepineTraumatic acidTetradecanedioic acid4-MethylbenzophenoneLPS(19:0)4-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-oxoethyl]-2H-furan-5-oneGlcCer(d18:1/26:1)Arginylphenylalanine1-Aminomethylphosphonic acidFumifunginThreonineN,N,N-Trimethyl-L-alanyl-L-proline betaineFA 18:2+4O9,12,13-TriHOME2-((2,6-Diethylphenyl)(methoxymethyl)amino)-2-oxo-ethanesulfonic acid3-Gal(1-2)GluA Soyasapogenol BN-Undecanoylglycine3-hydroxy-4-methoxy-2,3-dihydropyran-6-oneAspartylleucineAcyclovirL,L-Cyclo(prolylalanyl)2,4-Bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diolLysineIsoleucylserineSclareolidegamma-delta-Dioxovaleric acidTyrosylleucine6-amino-4-(4-hydroxyphenyl)-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrileD-ArabinosePterosin GChlorogenoquinoneSuccinic anhydrideBispyribacGuanine1,3-Dimethylpyrrolo[1,2-a]pyrazineOctadecylamine8-Hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[][1]benzouran-2,7-dione2-{4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazinyl}-N-(3-methylthiophenyl)ace tamideButylparaben(E)-N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)but-2-enamideN-Desferriferrichrome2-(methylethylidene)butanedioic acidBarceloneic acid A6-oxopristimerolNADP1H,1H,2H,2H-PerfluorohexanolEriodictyolPhysostigmine salicylateCitrate ion2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one2H,3H-benzo[e]1,4-dioxin-6-yl-N-[2-(4-chlorophenyl)(2-hydrobenzotriazol-5-yl)] carboxamidecis-4-Octenedioic acidXanthosinedGMP5-acetyl-2-(3,4-dimethoxyphenyl)-1-hydroxy-4-methylimidazoleN-AcetylisoleucineN-Benzylquininium3,4-Diaminopyridine1,4-dihydroxyheptadec-16-en-2-yl acetateGlycylleucineCitric acidN-Fructosyl phenylalanine(3,4-dimethoxyphenyl)-N-(???methyl)carboxamideGentiobiose11-HEPETerpestacinUlipristalNAD+2-(acetylamino)-3-indol-3-yl-N-{2-[5-methyl-2-(methylethyl)phenoxy]ethyl}propa namide7-O-trans-Cinnamoyl-6beta-hydroxyloganin4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diolBenzeneacetonitrile(S)-11,12,13-Trinor-7-calamenoneArachidoyl Ethanolamide3-Methylbutyl 2-oxopropanoateHapalindole DMethylthioadenosineLeucyl-Glutamine4-Methyoxybenzoyl-N-glycinePipecolic acidIndole-3-acrylic acidRanolazineBenzophenoneNaproanilideGlucose 6-phosphateLPC(16:1)Stachyose5-Aminopentanoate1,3,7-Trimethyl-9-Hydroxy-9H-Purine-2,6,8(1H,3H,7H)-TrioneUR-144 N(4-hydroxypentyl)Leucyl-IsoleucineLPE(15:0)Methyl 7-Deshydroxypyrogallin-4-Carboxylate5,5-Dimethyl-2(5H)-furanonebeta-Alanyl-L-arginineGlycylisoleucine5-Hydroxymaltol5-hydroxycalameneneTDCPPSM(d18:0/16:1)CarnitineL-2-Amino-4-methylenepentanedioic acidHydroquinoneP-Menthane-1,2,8,9-TetrolBisphenol A2-[2-[(2-Acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid2-Methylcitric acid3,4-DihydroxybenzoateMethyl acrylateLPC(16:0)3-Hydroxymethyl xylitol4-Hexanolide4,6-Dihydroxy-2-[(4-Hydroxy-3,5-Dimethoxyphenyl)Methylidene]-3-Benzofuranone2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanoic acid1,2-DihydroquinolineGenistein3-methoxy-4-(2-oxo-2-piperidylethoxy)benzaldehyde1,5-AnhydrosorbitolActinorhodin5,6-Dimethyl-2,3-pyrazinedicarbonitrileGlutaminyl-Isoleucyl-LysineN-(4-chlorophenyl)-2-(2,3,3-trimethyl(2,3,4-trihydroisoquinolylidene))acetamid eSalmeterol xinafoateMyoinositol3-Methyltetrahydrophthalic anhydrideTricaproin2H-Pyrazino[1',2'5-Methoxyindole-2-carboxylic acidGlutathione (Reduced)6-n-Propyluracil(11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acidTriptophenolideMenthol(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamideN-AcetylasparagineSt0885882-Hydroxyglutaric acid1-Methyladenosine1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-onePFCA-H3-MethylhistamineMmv011691Pheniramine maleate saltAvenoleic acidArthrobactinN-(2,6-dimethylphenyl)-2-(4-chlorophenyl)-2-{N-[2-(2-methylindol-3-yl)ethyl]ac etylamino}acetamideSarcosine2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one2-FurancarboximidamideProlylvaline9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-(4-methylphenyl)-2,3,4,5,6 ,7,9,10-octahydroacridine-1,8-dioneJWH-081FluroxeneIsoangustone Amycalamide AGinkgolic acid II16-Hydroxypalmitic acid3',4',7-TrihydroxyflavoneTaurineGluconasturtiin2'-CMP9-(2,3-dihydroxypropoxy)-9-oxononanoic acid3-PhosphoglycerateD-Glucose 2-phosphate2-[4a-Methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acidMannose 6-phosphatePFCA-unsaturatedJasmine ketolactoneQuercetin 3-O-alpha-D-galactosidePC(18:1/14:0)Trifluoroacetic acidMono(2-ethyl-5-oxohexyl) adipateJaeschkeanadiol12(13)Ep-9-KODEPC(18:0/20:3)N-(3-Hydroxybutanoyl)homoserine lactoneBcl-2 Inhibitor8-Amino-7-oxononanoic acidLPC(15:0)9,10-Epoxyoctadecanoic acidAgmatine(2R)-2-((2S,3R)-3-methyl-2-((7S)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamido)pentanamido)propanoic acid7-Hydroxy-1-({2-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-2,6-octadienoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acidTrigonellineProtocetraric acidImperialineGlycerolMls0011481851,10-EpoxygermacroneSalicin10H-Benzo[b][1,8]naphthyridin-5-oneN2,N5-Diacetylornithine5,7-dimethyl-4-(2-1,2,3,4-tetrahydroisoquinolylmethyl)chromen-2-oneBoscalidDiphemanil methylsulfate4-amino-N,N-dimethyl-Benzenesulfonamide1-(carboxypropyl)ureaSuccinimideDiphenidol HydrochlorideButenylcarnitineConessine1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene4-Methylproline16-Hydroxy-10-oxohexadecanoic acidtrans-Aconitic acid5-bromo-2-[(4-methoxyphenyl)methylene]benzo[b]furan-3-onegamma-Guanidinobutyric acidN6-Benzyl-9H-purine-2,6-diamine4-Ethylaniline9-OxoOTrE2-Ethylsulfanyl-1H-benzoimidazoleQuinaldic acidSulforaphane4-Hydroxymethylpyrazole(3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl)diethylamine4,6-Cholestadien-3-one3-Indolehydracrylic acidalpha-D-Glucopyranoside, 4-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-beta-D-fructofuranosylOctadeca-2,4-dienedioic acidSecoisolariciresinol3-(2-furylcarbonylamino)phenyl 3,4-dimethoxybenzoateN-(4-butylphenyl)(3,4,5-trimethoxyphenyl)carboxamidePhenylalanineBrevianamide FPiperonyl butoxideCholesterolMorpholine4,8 Dimethylnonanoyl carnitine3,6,9,12-Tetraoxapentadecane-1,14-diol, 2,5,8,11-tetramethyl-Ethyl 2,3-dioxo-1,4-dihydroquinoline-4-carboxylate2-Hydroxyhexadecanoic acidNiranthin3-Hydroxy-2H-pyran-2-oneUracilEpijasminoside ARheinAcetylhomoserine[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoateAlosetronSolanineCreatine4-Oxo-L-prolineLPA(18:2)Phe-Leu-LysN-(2-Hydroxyethyl)nicotinamideCaprylic acidLPA(18:1)TazettineMethyl 11-hydroxy-10-methyl-4-oxododecanoate16-Heptadecyne-1,2,4-triolEndocrocinRisperidoneOctyl gallateLeucylglutamateBexaroteneFuroylglycine3,6-dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acidGlutaminylphenylalaninePantetheine 4'-phosphateGlucosamine 6-sulfate5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy-1-Ethylpiperazine(1S,4R,5S,23S,26S)-26-hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11,16,18,27-heptaen-29-one1,3-dimethyl-8-morpholin-4-yl-7-(4-(2-piperidylidene)-4-azabutyl)-1,3,7-trihyd ropurine-2,6-dioneGlutaminylleucine12(S)-Hydroxy-16-heptadecynoic acidOxalic acid12-oxo-PDAGABAMethyl 3,5-hydroxybenzoateEuparinAdipic acid2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid2-O-Methyl-D-xyloseN-cyclohexyl-2-[1-(4-methoxyphenyl)(1,2,3,4-tetrahydrobeta-carbolin-2-yl)]acet amidePI(16:0/20:4)(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one2-(3-methyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetic acid5-HydroxymethylcytosineKobusoneL-3688991,3,5-Hexatrienecis-Dihydrocarvone4-Amino-2-hydroxy-5-[[1-hydroxy-1-(2-oxo-1-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acidHomocysteine thiolactone3-methylmalate(2-)4,6-dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one3-FumarylpyruvateWestcort2-Hydroxy-4-imino-2,5-cyclohexadienoneQuinolinic acid1-PhenylethanolO-Desmethyl tramadolIndole-3-Lactic AcidIsoleucineHyoscyamineDeoxycarnitineNADP+3beta,6beta-DihydroxynortropaneGlycerol 2-phosphate2-Methylhippuric acidCanrenoneThreonic acid2-Hydroxy-3-(2-hydroxyphenyl)propanoic acidAnthranilateAceglutamideCitraconic acidTetrahydrosappanone A Trimethyl Ether(3,4-dimethoxyphenyl)-N-(1-ethyl-1-methylprop-2-ynyl)carboxamidePC(18:0/20:4)2-decyl-3-hydroxypentanedioic acidN-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide(ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acidPFSM-ammonioGlutamine(3,4-dimethoxyphenyl)-N-(2-{N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)c arboxamide1,2-DimethylimidazoleMOPS(3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl)dimethylaminealpha-Ketoisovalerate(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate11-(3-ethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[1,2-f]benzo[b ]1,4-diazepin-1-oneDihydro-5-methyl-2(3H)-furanoneEurycomaosideDesthiobiotinDihydroxyacetone phosphateDimethylethanolaminePC(17:1/18:2)3-Hydroxyglutaric acidTyrosylisoleucine1-(2-methoxyethyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-3-carboxamide3-(Octyloxy)propanamineHistidine4-(3-Pyridyl)-3-butenoic acidTropic acidGraveolideGlcNAcSer-PheSinapaldehyde4-Hydroxy-2H-pyran-3-carboxaldehydeBenthiavalicarb isopropylPhenylalanyl-gamma-glutamatePhosphoric acidMyristamine OxidePyroGlu-Val12-Hydroxydodecanoic acid7(14)-Bisabolene-2,3,10,11-tetrol9,11,12a-Trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one5alpha-Androstane-3beta,7alpha,17beta-triolVitisin B(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dioneNCGC00386084-01_C23H32N2O3_Deoxyadenosine(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methyl-2-(1-oxoisoindolin-2-yl)butanamideD-myo-Inositol 1,4-bisphosphateNalidixic acidIndole-3-carboxyaldehydeUDP-glucoseCysteinylglycineEthyl cholateGlycerophosphocholineDiethyl phthalate(5e)-10-Heptyl-3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-2h-oxecin-2-oneDihydromuronic acidN-AcetyltyramineTarginine2-PyrrolidinecarboxamidePC(16:0/20:5)2-(4-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanoneSesquiterpenesKynurenineN-Methylglutamic acidMianserin hydrochloride7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-oneAndrostane-3,17-diol 17-sulfate2-Methylaminobenzoyl 6-Deoxy-Alpha-L-TalopyranosidePC(15:0/18:2)AlaninePC(O-16:0/18:1)gamma-Glutamylglutamine4,4'-DichlorobenzophenoneTryptophanXanthine3h-Indole-3-propanoic acid,a-amino-Bovoside A1-(4-Methoxyphenyl)IsoquinolinePC(16:0/20:4)CholineAsparagine3-Methylsuberic acid2,3-DihydrobenzofuranTromethamineLeucylphenylalanine2-HydroxyacetamideN-ButylbenzenesulfonamideAscladiol Z12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid2-(4-Ethenyl-2,5-Dimethylhexa-2,5-Dienoxy)-6-(Hydroxymethyl)Oxane-3,4,5-TriolTritosulfuron3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid4'-Hydroxymethohexital2,6-Di-tert-butyl-4-nitrophenolNicotinic acid1-Tetradecanol hydrogen sulfatePolanrazine Bepsilon-Tocopherol1,7-Diphenyl-4-hepten-3-one5-Bromotryptophan6-Oxopiperidine-2-carboxylic acidVitispirane3-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-oneMaleic acid2-Deoxygalactopyranoseethyl 2-[4-(1-adamantyl)phenoxy]propanoateDOPAGlutamylleucine(Z)-13-Oxo-9-octadecenoic acidEleutherolGluconic acid2-[2-amino-3-(1H-indol-3-yl)propanamido]acetic acidLPI(18:2)1,2-dimethyl-4-(2-purin-6-ylthioethoxy)benzene4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a-(acetyloxy)-9-[(hexopyranosyloxy)methyl]-1,1a,4a,5,6,7,7a,10,11,11a-decahydro-7-hydroxy-1,1,3,6-tetramethyl-, (8E)-2-AminopurineGalactaric acidUndecanedioic acidIMP(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acidS-AdenosylhomocysteineIsoleucylalaninePhenacylamine HydrochlorideC17-Sphinganine2,2,6,6-Tetramethylpiperidin-1-olD-LysineQuinidineDimethyl sulfoxidePeimisine1-(2-hydroxy-3-methyl)-butyl-hydrocotarnineSedoheptuloseDehydroabietamideLipoic acidGDP-mannosePhthalic anhydrideLPI(18:1)Citramalic acidPurpactin Ap-CresolBeta-Chaconine4-methyl-1-(2-purin-6-ylthioethoxy)benzene4-(Decan-4-yl)benzenesulfonic acid1-Naphthalenecarboxylic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl-5-[(2,3,5-trihydroxy-4-methylene-7-oxabicyclo[4.1.0]hept-1-yl)methyl]-CamalexinPiperidineColnelenic acidN-(4-fluorophenyl)-2-(6-oxo-9-phenylhydropurin-8-ylthio)acetamidePyroGlu-Pro-ArgSedoheptulose 7-phosphateHexenal3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acidLPI(18:0)Phosphocholineo-Dodecylbenzenesulfonic acidOxalicine BMmv6761622-Cyanoacetamide(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid8,11,14-Anacardic AcidGlycyl-L-phenylalanine(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]propanoic acidChlorodifluoroacetic acid8-Methylsulfinyloctyl isothiocyanateSchizandrin CSorbitol 6-phosphateTES10-acetyl-11-(4-methoxyphenyl)-3-methyl-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]be nzo[2,1-f]1,4-diazepine3-GluA-28-Xyl(1-4)[Api(1-3)]Rha(1-2)Ara Medicagenic acid1-Chloro-benzotriazoleLPE(18:2)2'-O-MethyluridineRiboflavinDiphenylcarbazideAerugine8-bromo-6-chloro-3-(4-hydroxyphenyl)-4-methylchromen-2-oneLauramidopropylbetaineAlanylnorvalineCDP6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-][1]benzouran-9-onePutrebactinPC(20:0/9:0)DeoxyinosineIsoleucylleucineSuccinoadenosine1-(Aminocarbonyl)-L-prolineN-Acetylvaline3-[(4-Hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione5-(3,4-Dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diolPG(22:6/22:4)IsolaserpitinLauryl Ether SulphateOctadecenedioic acidOxoglutaric acidLPE(18:3)2-Methyl-4'-(methylthio)-2-morpholinopropiophenoneBiotinGMPIsorangiformic Acid3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olidePhenolLPS(16:0)2-FuranmethanolCysteineglutathione disulfideMmv687706N-Acetylaspartic acidCalystegine A7Mesaconic acid3-Azetidinecarboxylic acidN-Benzoyl-DL-Arginine-2-NaphthylamideLeucinic acidCalystegine A68-{5-[(3E)-2-(acetyloxy)pent-3-en-1-yl]-1-hydroxy-4-oxocyclopent-2-en-1-yl}octanoic acidGlucosamineAucubin9-HOTrECinnamic acidPC(18:1/18:2)N,N'-Diisopropylurea9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide4-Oxo-4-(3-pyridyl)-butanamideButyrylcarnitineFeruloyl HexosideAspartyl adenylateCystathionineGlutaric acidSclareol9,10,13-TriHOMELorazepamPI(18:0/20:4)Calystegine B5Galaxolidone2-amino-6-{[2-(furan-2-yl)-2-oxoethyl]amino}hexanoic acidIsoleucyl-Glycyl-Isoleucine4-Oxopentanoylcarnitine1-PiperidinecarboxaldehydeDimethenamide ESAMonoethyl carbonate3-(2-Methylpropyl)pyridineLPE(18:1)2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid3',5'-DideoxythymidineTetrahydro-2,5-furan-diacetic acid3-(2-Furanyl)-2-propenalN-((1E)-2-(3-pyridyl)-1-azavinyl)-3-[(3,5-dioxo(2H,4H-1,2,4-triazin-6-yl))amin o]propanamide2-(2-amino-3-carbamoylpropanamido)-3-phenylpropanoic acidEpialyxialactone5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acidRhetsinine7,2'-DihydroxyflavoneLobohedleolidePC(16:0/P-16:0)Sativic acid8-Hydroxy-9,10-epoxystearic acidGuanosine1-acyl-PAFgamma-Glutamylisoleucine1-Methyl-4-isobutylbenzeneADPN-[5-(tert-butyl)(1,3,4-thiadiazol-2-yl)]-3-(3,4,5-trimethoxyphenyl)propanamid ePseudouridine 5'-phosphateN-AcetyltryptamineAspicilinalpha-Pinenebeta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-3-Methylxanthine(3E,7E,11E,15E)-5,9,13,17,18-pentahydroxy-4,6,8,10-tetramethyl-2-[(E)-2-methylbut-2-enyl]nonadeca-3,7,11,15-tetraenedioic acid5-Hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoatePerlolyrine4-(Aminobutyl)guanidineProlylphenylalanine1-Aminocyclopentane-1,3-Dicarboxylic Acid(-)-Menthyl (R)-1-[(R)-Alpha-Methylbenzyl]Aziridine-2-CarboxylateAlanylphenylalanineSM(d18:1/24:1)CDP ethanolamineLPI(16:0)2,4a,6-Trihydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d][7]annulen-7-yl beta-D-glucopyranosidecis-AconitateXylose2-Phosphoglyceric acid2-Acetamido-4-methylphenyl acetateEstra-1,3,5,7,9-pentaene-3,17beta-diolOxalacetic acidUridine1-Carboxyethylphenylalanine6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl] acetateGlutamylserineSpiculisporic acid3-Hydroxypyridazine(6S,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-Decahydro-2H-6,13-Methanodipyrido[1,2-A:3',2'-E]Azocin-1(6aH)-Yl[1-(Propan-2-Yl)-1H-Indol-6-Yl]MethanoneHuperzine BImidazole-4-acetaldehydeN-epsilon-Formyl-L-lysineN-Acetylthreonine(7E)-3-Isobutyl-4,5,8,12,12-pentamethyl-3,3a,4,6a,9,10,10a,13a,14,15-decahydro-1H-[1,3]dioxolo[7,8]cycloundeca[1,2-d]isoindole-1,16(2H)-dioneProlineTetrahydropyridineAspartylphenylalaninIsopentenyladenineTriacetin1-(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-oneIsoindoline7-AcetyllycopsaminePyroGlu-PheIsoniazid2-MethyltryptolineGlucuronic acidCapric dimethyl amine oxide2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-[(2-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl]methyl ester14',15',16',17',18',20'-hexahydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0,?.0?,?.0,?]icosan]-19'-oneLagochilin9-ethyl-8-[(5-methyl-2-phenyl(1,3-oxazol-4-yl))methylthio]hydropurin-6-oneTetradecyldiethanolaminePatulinGlochidone putativeNADFumaric acidAcetylcarnitine5-[(E)-3-hydroxybut-1-enyl]-4-[4-[(E)-3-oxobut-1-enyl]anilino]oxolan-2-oneN-LactoylvalineArgininosuccinic acidPC(16:0/P-18:1)Phe-ProPhenylalanylphenylalanineAcoric acid5-Hydroxymethylcytidinegamma-GlutamyltyrosineLPE(16:0)GuanabenzRev 5901GlycylprolinePyrroline hydroxycarboxylateSpermidinePFCA-diether_HsubstitutedMethoxyacetic acidPhenylalanylvaline5-(4-Sulfophenyl)undecaneAsulam2-Isopropylmalic acid3-acetyl-2-methylquinoline-4-carboxylic acidGentianineCMP1-(2-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-oxoethyl)benzimidazole-2-carbonitri le5-Aminolevulinate1,3-Dimethyluric acidPC(20:5/16:0)Avocadyne 1-acetatemethylethyl 2-amino-4-(4-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b ]pyran-3-carboxylateJasminosideLeucyl-glycyl-glycinePirenperone5-Hydroxy-4-oxo-L-norvaline(1-Methyl-2,3-Dihydropyridin-6-Ylidene)HydrazineGlutamic acid5-butyl-3-methyl-7H-furo[3,2-g]chromen-7-onePsicoseGibberellin A612,4-Dichlorobenzoic acidSuberic acidHydroxyproline9-(Methoxycarbonyl)dec-9-enoic acidPyocyanineTetraethylene glycol2-(5-methyl-1,3-dioxobenzo[c]azolin-2-yl)acetic acidEpinephrine bitartrate4-Nitrophenol2-AcetylfuranPiperineHydroxyacetonePC(16:0/15:1)PE(16:0/18:1)[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate3,3-dimethyl-11-(4-prop-2-ynyloxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[1,2-f ]benzo[b]1,4-diazepin-1-oneTyrosylprolineMonoacetylcadaverine2',3'-Cyclic AMPSerylalanine2,2',4,4',6,6'-hexamethoxy-1,1'-biphenylFT-PFSA; C4H5F5O3S2-(3-carboxypropanoylamino)hexanoic acidE-644-VinylcyclohexenePharboside FWAY-100635 maleate saltAspartatePyridoxinePimelic acidIsethionic acid5-Hydroxyhexadecanoic acidDi-N-propylamineEmodinAspergamid BOxamic acidPolyethylene, oxidizedCoproporphyrin IIILeu-Trp4,8,12,15-Octadecatetraenoic acidManNAc(E)-10-Hydroxy-8-decenoic acid5,6-Dimethyl-1H-benzotriazole4-Aminophthalhydrazideethyl 2-{3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-1,3,7-trihydropurin-8-y lthio}acetatexi-8-Hydroxyhexadecanedioic acidHexaethylene glycolLeucyl-Tyrosine3-Methylene-indolenine5'-O-MethylthymidineTheobromineLiothyronineS-(2-Carboxypropyl)glutathione2-oxo-Butanal5-HydroxyflavoneQuinceoxepineCamellimidazole B4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenoneBetainePivaloylcarnitine1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamideL-Isoleucyl-L-tryptophanIcos-19-Ene-1,2,4-TriolWistariasaponin C2-{[1-(4-methylphenyl)-5-phenyl(1,2,4-triazol-3-yl)]carbonylamino}-4-methylthi obutanoic acidXanthylic acidLotaustralinPyroglutamylisoleucineTrinitrotoluene3-Phenyllactic acidAeginetic Acid 5-O-Beta-D-QuinovosideTrimethyllysineFloionolic acid2-Hydroxyanthraquinone9-methyl-8-{[3-(trifluoromethyl)phenyl]methylthio}hydropurin-6-onePC(18:0/18:2)4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranosideCard-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-5,14-dihydroxy-, (3alpha,5beta,8xi,9xi)-PE(16:0/18:2)BethanidineGlutamyllysineAcetaminophen glucuronide5,6-Dihydroxy-2-methylaminotetralinFA 18:3;O222-Hydoxy-2-hopen-1-onedihydroalbocyclineLPE(14:0)2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl (9E)-octadec-9-enoateN-[2-(6,7-dichloro-2-methylindol-3-yl)ethyl]-2-[4-(4-chlorophenyl)-1-oxo(2-hyd rophthalazin-2-yl)]acetamide3,4-Dimethyl-5-propyl-2-furannonanoic acid8-[(4-chlorophenyl)methylthio]-9-methylhydropurin-6-oneBicyclogermacrene3-Hydroxydesloratadine2,4,5-Trimethoxybenzoic acidVal-Leu2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-9-methoxy-, methyl ester, (2S,3E,7aS)-11-HydroxytephrosinD-Glutamic acidHexadeca-7,10,13-trienoic acidPE(17:0/20:4)Mycosporine1-PyrrolidinecarboxaldehydeCadaverineTalaroflavone(2Z)-2-benzothiazol-2-yl-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enenitrileGlycyl-ArginineArginylisoleucine2-methoxyethyl 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3- carboxylate3,6,9,12-Tetraoxatetradecane-1,14-diolm-Ethyl_tolueneHyodeoxycholic acidAleuretic AcidFluocinolone acetonideMonooleinAzacyclonol(1S,2S,6R,7R,9R)-6-methyl-10,12-dioxatricyclo[7.2.1.0<2,7>]dodec-4-en-8-one14',15',16',17',18',20'-hexahydroxy-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0,?.0?,?.0,?]icosan]-19'-oneProgesterone3-EthylpyridineN-AcetylalanineVal-Gly-Val3,5-Dichlor-lecanorsaeure-methylesterNauclafinPI(16:0/18:2)NaringeninGenistinAllantoin(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid3-hydroxytridecanoyl carnitineBistrisLauryl isopropanolamideRhodotorulic acidGlutamyltyrosine3-Hydroxysuberic acidSyringinxi-7-Hydroxyhexadecanedioic acidFructose 1,6-bisphosphateCampheneL-LysopineD-Ribose 5-phosphatealpha-Methyl-4-carboxyphenylglycineL-Saccharopine(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triolMethyl 3-phenyl-2-(phenylformamido)propanoatePhosphoenolpyruvateChlorothalonil-TP R471811Mls001140329D-SorbitolProlylisoleucine1,2-BenzoquinoneTrimethadionePhenylalanylleucineHarmol Hydrochloride5-Methoxyindoleacetic acidMethionineMuramic acidStyrene OxidePentamidine1-O-Sinapoylglucose2-(4-chlorophenyl)quinoline-4-carboxylic acidPorphobilinogenLinalyl acetateFructose lactatePC(15:0/20:4)Deoxybrevianamide ELeu-ThrCarnequinazoline ABromacil(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acidHistidyltyrosinePentoxazoneOrthanilic acidMmv023227alpha-ChaconineFeruloylputrescineMmv676476Lauryldiethanolamine3,9,10-trihydroxy-4-(methoxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acidLeucylglycineMmv676470Palmitoyl glycerolNonactinic AcidDodecatrienoic acid3-Methyladipic acid(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamidemethyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoatePC(18:2/18:2)N-Fructosyl pyroglutamateDiaminopimelic acid9K,12,13-DiHODEBucharaineDeoxyuridineKaempferolallo-Protolichesterinic acidN-((octahydro-1H-quinolizin-1-yl)methyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoateMls000574971BerolineNMN2,3,4,6-tetrahydroxy-5-oxo-5h-benzo[7]annulene-8-carboxylic acidCrotamitonWalleminone3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamideLPC(14:0)9-MethylundecanoylcarnitineNicotianamineD-4'-Phosphopantothenate1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acidNorleucineDipropyl ketonePhenylalanylglutamate1-Piperideine-2-carboxylic acidTschimganidinN-Acetyl-D-mannosamine 6-phosphatePC(16:1/16:1)Anabasamine2-Chloro-N-[2-(5-Methoxy-2-Methyl-1H-Indol-3-Yl)Ethyl]-5-NitrobenzamideThreonylleucine3-[(4-ethylphenyl)indol-3-ylmethyl]indole1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-onePhytosphingosineIsoleucylhydroxyproline3-(4-Hydroxyphenyl)propanoic acid 3-(4-hydroxy-3-methoxyphenyl)propyl esterEthyl 3-nitrocinnamateFormoterolPro-UDCAPicroside IIPE(18:2/18:2)6-Butyltetrahydro-2H-pyran-2-oneTyrosine3,5-Diisopropylsalicylic acidGallic acidNebularine3-Oxooctadecanoic acid2-(hydroxymethyl)quinazolin-4(3h)-oneImidazoloneLauramine oxideSer-Val4-MethylimidazoleArabitolalpha-Eleostearic acidSuccinic acid15-methyl-6-azatetracyclo[8.6.0.0,?.0,]hexadecan-11-oneHypoxanthine2'-O-MethylinosineN-lactoyl-GlycineSesamoside2'-O-Methyl-5-methylcytidinePE(16:1/20:4)N-Acetyltryptophanamideethyl 5-hydroxy-2-methyl-1-[2-(4-propylphenoxy)ethyl]benzo[g]indole-3-carboxyl ateCarveol4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid9-F1-phytoprostane3-(1H-indol-1-yl)-1-(8-methoxy-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)propan-1-oneN-benzyl-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamideD-Pipecolic acidPutrescine3,4,5-Trimethoxy-N-3-pyridylbenzamide3-Amino-2,2-dimethylpropanoic acid[2-[(Z)-heptadec-9-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateCytarabineTriiodothyronine2-Hydroxybutyric acidNegleteinOphthalmic acidNateglinide9,10-DiHODELPI(20:4)8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acidAdenineFADGlycerophosphoinositolChlorogenic acid[3-(4-chloro-6,7-dimethoxy-2H-benzo[3,4-d]1,3-dioxolen-5-yl)isoxazol-5-yl]meth an-1-ol1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acidOxysophocarpineTsangane L 3-glucosideInosineLumichromeSerylleucinePE(18:1/18:1)N,N,O-Tridesmethylvenlafaxine3',4'-Methylenedioxy-5,7-dimethylepicatechinm-ToluamideCholic acidArachidonic acid7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acidHistidinolRoccellic Acidalpha-Carboxy-delta-nonalactoneN-Acetylmethionine(2S)-2-[[(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]-3-phenylpropanoic acidMetolachlor ESAMelibioseEllagic acid8-[(2-chlorophenyl)methylthio]-3-methyl-7-[(3-methylphenyl)methyl]-1,3,7-trihy dropurine-2,6-dioneGalactosamine4-Hydroxybenzoylcholine(2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid[9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetateN-Acetylproline4-Hydroxybenzoic acidGermine6-Aminopenicillanic acidSoyasaponin IHexosyl LPE(18:3)Ginsenoside CK3-HydroxybenzoateFlazineSebacic acid2-Hydroxyundec-7-enoylcarnitine2-(Carbamimidoylsulfanyl)ethanesulfonic acid3-Hydroxy-4-oxo-4H-pyran-2-carboxylic acidPiscidic acidNicotinamideThreitolColneleic acid3-Oxotridecanoylcarnitine8-MethylquinolineOxyglutinosone5-chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehydeN-LactoylleucineCyclo(Pro-Val)[3-heptadecanoyloxy-2-[-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate2-[2-oxo-4-(piperidylcarbonyl)hydroquinolyl]-N-(2-phenylethyl)acetamide(19E)-4-Ethyl-2,16-Didehydrocur-19-En-4-Ium-17-AlAzaserine5-(3-methoxyphenyl)-N-((octahydro-1H-quinolizin-1-yl)methyl)-1H-pyrazole-3-carboxamidealpha-Methylene butyrolactone3-Hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acidYangambinIsoleucylmethionineN-Acetylornithine(5R,6E)-5-Hydroxy-1,7-Diphenyl-6-Hepten-3-One6-HydroxymelatoninUDP-GlcNAcDinitramineDihydrosphingosinePiperazine4-methylcyclohexyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-oxo-1,3,6-trihydro pyrimidine-5-carboxylate2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acidMannitolPyroglutamic acidDehydro-P-CymeneMethionylleucineTrimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azaniumPyridoxamineGlucosamine 6-phosphatePE(18:1/18:2)N-(3-chloro-4-methoxyphenyl)-2-(9-methyl-6-oxohydropurin-8-ylthio)butanamideN-Acetyl-3-methylhistidineAlanylisoleucineDodecanedioic acidMethyl sulfateS-Adenosylmethionine(3E,5Z)-1,3,5-Heptatriene4-HydroxybenzotriazolePentosidineADP-riboseDeoxyguanosineSenecialdehydeQuinic acidGingerolDimethyl myristamine2-(2-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole hydrochloridemethyl 5-methyl-5,15-diazahexacyclo[14.2.2.1<1,5>.0<8,16>.0<8,21>.0<9,14>]heni cosa-9,11,13-triene-17-carboxylate, iodideIndaneLipoamideDodecyl sulfateHaploperoside CBeta-Muricholic acidVal-Ile-LysN-Decanoylglycinegamma-linolenic acidPE(18:2/16:0)cis-2-MethylaconitateIsoleucylphenylalaninePhenyl acetateDihydroyashabushiketol3-Methylpimelic acidStachydrine hydrochloride(2E)-3-(4-Acetoxy-2,3-dihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl)acrylic acidDibutyl phthalateGlucurolactone(3,4-dimethoxyphenyl)-N-[4-({4-[(3,4-dimethoxyphenyl)carbonylamino]cyclohexyl} methyl)cyclohexyl]carboxamideThymidine2-Methyl-4(3H)-quinazolinone4-(2-Aminophenyl)-2,4-dioxobutanoic acidMethylpyrazine2-Methyl-3-oxopropanoic acidPC(O-18:1/20:4)Orotic acid1,6-O,O-diacetylbritannilactoneMethylmalonic acidN-(2-Carboxymethyl)-morpholineAbscisic acidTaxifolin-3-glucosideMalic acid2-(2-hydroxy-phenyl)-thiazole-4-carboxylic acidDihydro-beta-erythroidine hydrobromidePyroGlu-ProLeucylalanine4-(Hexopyranosyloxy)-3-methoxybenzoic acidPC(14:0/16:0)2-BenzimidazolylguanidineN,N-DimethylarginineUDP6-Hydroxyangolensic acid methyl esterN-Methylcalystegine C1AdipoylglycineArmexifolinIsoleucyl-Isoleucyl-LysineVitamin K1ErucamideMaltoseErythronolactoneBis-(acetyl)diaminopentane4-ButylphenolTetracyclineGalNAc2-hydroxy-dAMPHistamineN-Acetyltyrosine2-(2-amino-3-methylbutanamido)-4-(methylsulfanyl)butanoic acidTris(2-chloroisopropyl)phosphate3-Aminopicolinaldehyde(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid2-Benzimidazolecarbamic acidPC(14:0/16:1)Coronaric acidGenkwaninIodohippuric acid6-PhosphogluconateMethionine sulfoxideCalein C1,3-DicyclohexylureaHexadecanamideOxazepam4-NitrophenylalaninePyrenolGly-TyrLappaconitine3-Oxotetradecanoic acid4-Hydroxy-3-(3-methyl-2-butenyl)acetophenoneThreonylphenylalanineAzelaic acidSebuthylazine2-Methyl-1,4-benzoquinone6-Methyl-2-pyridinecarboxylic acid3'-AMP5-Hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-oneImazethapyrTartaric acid2-Hydroxy-2-ethylsuccinic acidIsoleucylarginineDeoxycholic acid(Z)-3-Hexenylvicianosidesn-Glycerol-3-phosphoethanolamine10-HydroxydecanoateMethyl 5-hydroxyoxindole-3-acetateAnisomycinS-Lactoylglutathionegamma-Glutamylglycine1-BenzazepineMevinic Acid14-Chloro-2, 8, 10-trihydroxy-3, 11(13)-guaiadien-12, 6-olideNorvalinedelta-Valerolactone3-Oxohexadecanoic acidPFSA-HDaidzein3-Hydroxyadipic acid 3,6-lactone3-{3-[(3-chloro-4-fluorophenyl)amino]propanoyl}chromen-2-onefalseMolecular Omics Unveils the Antimicrobial Mechanism of UV-LED-Induced Chitosan Composite Film Against Penicillium itali-cum<p>Penicillium italicum (P. italicum) is a primary pathogen responsible for postharvest decay in citrus fruits, resulting in substantial economic losses. Chitosan and titanium dioxide and silver (CTS&amp;TiO2&amp;Ag) composite film solutions activated by combined UV and LED light represent innovative anti-fungal technology that demonstrates high efficiency and safety. However, the underlying molecular mechanisms remain unclear. This study employed transcriptomic and metabolomic analyses to reveal the inhibitory capacity of a UV-LED-induced CTS&amp;TiO2&amp;Agfilm solution against P. italicum , showing that treatment significantly affected gene expres-sion and metabolite levels. At the transcriptomic level, 3120, 2601, 2543, 161, and 171 dif-ferentially expressed genes(DEGs) were identified at various time points, increasing as the induction time was extended. Notably, the combination of UV and LED red light treatment had a more pronounced impact on P. italicum. The research also identified several enriched pathways related to carbohydrate, lipid, and amino acid metabolism, indicating disruptions in essential cellular functions. ABC transporter synthesis represented the main affected pathway from a metabolomic perspective. The downregulation of betaine suggested that the efflux mechanisms were inhibited, which compromised cell viability. Additionally, lower glucose-6-phosphate levels triggered glycolysis, TCA cycle abnormalities and autophagy. A decrease in ornithine reflected amino acid metabolism disorders, affecting protein synthesis, inhibiting cell proliferation, and disrupting information transduction, which was consistent with the transcriptomic autophagy results. Studies have shown that UV-LED-induced CTS&amp;TiO2&amp;Ag film solutions disrupt P. italicum cell-wall integrity, suppress ribosome bio-genesis, induce autophagy, and inhibit growth, offering theoretical support for novel fruit preservation technology development.</p>2026-06-082026-06-08MTBLS14711