MetaboLights

application/xml

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main parameterswere set as follows: retention time tolerance, 0.2 minutes actual mass tolerance, Sppm signal intensity tolerance, 30%; signal/noise ratio, 3: and minimum intensity,et al. After that peak intensities were normalized to the total spectralintensity.The normalized data was used to predict the molecular formula based on additive ions, molecular ion peaksand fragment ions. And then peaks were matched with the mzCloud (https://ww.mzcloud.org, mzVault and MassLlist database toobtain the accurate qualitative and relative quantitative results Statistical analyses were performed using the statistical software R (R version R-3.4.3) Python (Python 2.7.6 versin) and CentOS (CentOS release 6.6) When data were not normally distributed.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseSamples were injected onto a Hypesil Gold column (100x2.1 mm, 1.9um) using a 17-min linear gradient at a flow rate of 0.2mL/min.The eluents for the positive polarity mode were eluent A (0.1% FA in Water) and eluent B (Methanol), The eluents for the negativepolarity mode were eluent A (5 mMammonium acetate, pH 9.0) and eluent B (Methanol, The solvent gradient was set as follws: 2%B, 1.5 min; 2-85% B,3 min; 100% B, 10 min : 100-2% B, 10.1 min :2% B, 12 min.Differential Metabolomic Biomarkers Analysis of Apheresis Platelet Storage Based on Machine Learning Models.Yaoqiang DuZhejiang Provincial People's HospitalPlateletmass spectrometry assayThe samples (100 uL) were placed in the EP tubes and resuspended with prechilled 80% methanol by well vortex. Then the samples were incubated on ice for 5 min and centrifuged at 15,000 g, 4°C for 20 min. Some of supernatant was diluted to final concentration containing 53% methanol by LC-MS grade water. The samples were subsequently transferred to a fresh Eppendorf tube and then were centrifuged at 15000 g, 4°C for 20 min. Finally, the supernatant was injected into the LC-MS/MS system analysis.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS15165Yaoqiang Du. Zhejiang Provincial People's Hospital. No. 158 Shangtang Road, Gongshu District. duyaoqiang@hmc.edu.cn.The raw MS data were converted to MzML files using Compound Discoverer 3.1.Biological replicateduyaoqiang@hmc.edu.cnGroups A–D were stored in a platelet-specific agitator (22°C ± 2°C, orbital agitation mode), while groups E–H were maintained in a medical-grade refrigerator at 4°C without agitation (storage conditions similar to red blood cells and melted plasma in clinical).MetabolomicsThermo Scientific Vanquish UHPLC SystemMetabolomicsQ Exactive™ HF-X high-resolution mass spectrometerPlateletLipidmapsuntargeted analysismzVaultThermo Scientific Q Exactive HF-XHomo sapiensexperimental blankCompound DiscovererVanquish™ ultra-high-performance liquid chromatographyThermo Scientific Vanquish UHPLC SystemMetabolomicsQ Exactive™ HF-X high-resolution mass spectrometerPlateletLipidmapsuntargeted analysismzVaultThermo Scientific Q Exactive HF-XHomo sapiensexperimental blankCompound DiscovererVanquish™ ultra-high-performance liquid chromatographyQ Exactive TM HF-X mass spectrometer was operated in positive/negative polarity mode with spray voltage of 3.5 kV, capillarytemperature of 320° C, sheath gas flow rate of 35 psi and aux gas flow rate of 10 L/min, S-lens RF level of 60, Aux gas heater temperature of 350°C.HNH2-morpholino-1-phenyl-1-ethanolMonolaurin3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin13(S)-HOTrEMethyl hexadecanoatePC (18:0/20:5)Dl-3,4-Dihydroxymandelic AcidLysopa 16:08-Aminooctanoic acidXLR11 N-(4-hydroxypentyl) metabolite-d51-(3,4-dimethoxyphenyl)ethan-1-one oximeMethandrostenoloneL-HistidineIsobutyryl carnitine2-Arachidonoyl glycerolPC (14:0e/20:3)Cholest-4-en-3-oneSM (d16:2/26:2)D-SphingosineProstaglandin H22,3-Dinor-TXB2Potassium 7-hydroxy-1-naphthalenesulfonatePC (18:2e/16:1)(¡À)8(9)-DiHETCapric acid3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-olMethyl indole-3-acetateDioctyldimethylammonium chloride(¡À)18-HEPE3-(5,7-dimethoxy-4-oxo-4H-chromen-2-yl)propanoic acidN-Acetyl-D-tryptophan4-HydroxybenzaldehydePC (18:5e/4:0)Hexanoylcarnitine3-(4-methoxyphenoxy)propanoic acidHPKN1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylpropanamide(¡À)11-HETEDl-Indole-3-lactic acidL-lysineACar 26:28,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-oneBis(3,5,5-trimethylhexyl) phthalateACar 26:0Proline-hydroxyprolineProstaglandin E1PC (16:1e/24:4)Jasmone20-Carboxy-Leukotriene B4Mevalonic acidPinocembrin3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acidPC (20:4e/4:0)PC (20:4/20:4)N-Carbamyl-L-glutamicacidMethyltestosterone6-MethylquinolineFMK5-[(2-hydroxybenzylidene)amino]-2-(2-methoxyethoxy)benzoic acid(2E)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl beta-D-glucopyranosideall-cis-4,7,10,13,16-Docosapentaenoic acidD-(+)-MaltoseTetrahydrocorticosterone(+/-)12(13)-DiHOMEACar 15:0Methyl vanillatePE (18:0/20:4)Caffeic acid1-(4-hydroxyphenyl)propane-1,2-diol5-chloro-2-cyclopropyl-6-methylpyrimidin-4-olIsophoroneOleamide1,4-Dihydro-1-Methyl-4-Oxo-3-PyridinecarboxamideGlycochenodeoxycholic Acid (sodium salt)tetranor-PGFMtrans-10-Heptadecenoic acidN-Acetylneuraminic acidPantothenic acidPC (19:2/20:5)10-Undecenoic acid2-Propylglutaric acid3-hydroxy-2-octylpentanedioic acid7-Ketocholesterol12(S)-HETEL-OrnithinePC (17:0/18:2)LPA 16:05,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acidPC (18:0/19:2)5-chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thioneSpiculisporic AcidN-Formylkynurenine19-NortestosteronePS (19:1/19:1)LPE 22:4LPE 22:5PC (4:0/16:3)Ethyl chrysanthemumateLPE 22:6nor-6¦Á-¦¯xycodol11(Z),14(Z)-Eicosadienoic Acid(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one4-oxododecanedioic acid3-(3,4,5-trimethoxyphenyl)propanoic acidlithocholic acidProstaglandin D3Prostaglandin D2PC (17:0/18:1)Asp-glu1-(4-methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione(12Z)-9,10,11-trihydroxyoctadec-12-enoic acidtrans-Petroselinic AcidPS (19:1/19:2)PC (22:6e/13:1)UMP2-PhenylglycineSM (d23:2/15:0)AsaraldehydePC (4:0/16:4)PC (14:1e/5:0)4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile3-Hydroxybenzoic acidPC (18:0e/2:0)IndoleN-(5-Aminopentyl)acetamidePC (17:0/18:0)(¡À)10(11)-EpDPASM (d14:2/20:0)Prostaglandin A3DL-Arginine10-NitrolinoleatePC (14:0e/22:3)4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-oneo-Cresol13-OxoODEPC (19:2/20:4)L-ThyroxineAdenosineUric acidProstaglandin B2DL-Norvaline2-Hydroxycinnamic acid2-phenyl-1-(2-pyridylmethyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione23-Norcholic acidPC (14:0e/17:2)XanthoxylinePC (18:2/18:2)ClareolidePC (14:0e/22:4)2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid1-[6-(benzyloxy)-3-(tert-butyl)-2-hydroxyphenyl]ethan-1-one2-IsopropylmalateDichloroacetic acidPC (14:1e/3:0)4-Hydroxyretinoic AcidL-PhenylalanineAscorbic acidN1-isopropyl-2-(phenylthio)benzamide2-{2-[2,5-di(methoxycarbonyl)anilino]-2-oxoethoxy}acetic acidPC (19:2/19:2)2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranosideTetradecanedioic acidTraumatic acidPropionyl-L-carnitineIsoproterenolDocosahexaenoic acid11,12-Epoxy-(5Z,8Z,11Z)-icosatrienoic acidSM (d14:2/22:0)N1-prop-2-ynyl-2,5-di(2,2,2-trifluoroethoxy)benzene-1-sulfonamideLPE 20:1LPE 20:2LPE 20:3LPE 20:4LPE 20:0D-(+)-GlucosePC (14:0e/22:5)Dihydroartemisinic acidN-Acetyl-L-tyrosineLPE 20:5¦Ä-Ribono-1,4-lactonePC (18:3e/17:0)gamma-GlutamylleucineTetrahydrocortisonePleuromutilinTerephthalic acidPC (20:5e/18:2)4-(octyloxy)benzoic acidFAHFA (18:2/20:4)Methyl EudesMatePC (14:0e/17:0)LPA 18:0SM (d15:1/26:1)12,13-EODE1-(2'-fluoro[1,1'-biphenyl]-4-yl)propan-1-oneDL-Tryptophan6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamideACar 22:12,3,4-Trihydroxybenzoic acidErythrono-1,4-lactonePC (16:2e/4:0)ACar 22:0PC (18:1e/17:1)(¡À)7(8)-DiHDPA3,4-dimethyl-N-[4-(4-methylpiperazino)benzyl]benzamideAdenosine 5'-DiphosphateLPC 19:14-Methoxycinnamic Acid3-Acetyl-2,5-dimethylfuranethyl 4-({[(3-morpholinopropyl)amino]carbothioyl}amino)benzoate11(E)-Eicosenoic AcidXanthosineLysopg 18:1ACar 11:01,4-dihydroxyheptadec-16-en-2-yl acetateCitric acidFAHFA (18:0/3:0)Bicyclo prostaglandin E26-Pentyl-2H-pyran-2-oneL-serine6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-onePC (19:1/19:2)SM (d14:0/25:1)PC (4:0/16:2)3-(4-hydroxy-3-methoxyphenyl)propanoic acid(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolideOleoyl ethylamidePC (20:3e/2:0)bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate2-(acetylamino)-4-(methylthio)butanoic acidProstaglandin K2Oleic AcidUDP-N-acetyl-alpha-D-glucosaminePC (20:1/18:2)Tauroursodeoxycholic acidGlycocholic acidPipecolic acidP-Coumaroyl AgmatineIndole-3-acrylic acidMethyl cinnamatePC (2:0/20:5)PC (19:1/19:1)Stearic acidOrotidineChenodeoxycholic acid-3-beta-D-glucuronideTretinoinPC (14:0e/24:4)2-Hydroxycaproic acidEstropipate1-Palmitoyl-Sn-Glycero-3-PhosphocholineAsp-Phe2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one5-(3-cyclohexylprop-1-ynyl)nicotinic acidBisphenol ASM (d24:2/18:1)(¡À)13-HODESM (d20:3/22:2)Monobutyl phthalatePC (18:5e/21:2)L-GlutamatePC (14:1e/24:2)PC (18:4e/22:5)1-(2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)propan-1-one23-Nordeoxycholic acidSM (d15:3/25:1)ACar 24:11,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-oneMono(2-ethylhexyl) phthalate (MEHP)ACar 24:0SafroleL-AdrenalineDAG (18:1/18:2)N-benzyl-N,3,5-trimethylisoxazole-4-carboxamidecis-Aconitic acid3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acidMethyl linoleateN-benzyl-N-isopropyl-N'-(4-isopropylphenyl)thioureaACar 13:0PC (14:0e/3:0)Biocytin1-Methyluric acidStercobilinOleoyl-L-alpha-lysophosphatidic acid(4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanoneEthyl paraben4-Hydroxyisoleucine(¡À)9(10)-DiHOME(¡À)17(18)-EpETEN-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-4-(trifluoromethyl)benzamidePunicic AcidCoenzyme Q21-MethylhistamineTaurineL-Cysteine-glutathione gisulfideDocosanoic AcidGamma-Glu-Leu12-epi Leukotriene B4Licochalcone ADL-4-Hydroxyphenyllactic acidL-Threonine(¡À)9(10)-EpOMEo-Toluic Acid3-(4-Hydroxyphenyl)propionic acid3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridinealpha-Ketoglutaric acidLSD-d3PC (22:6e/18:5)4-EthylbenzaldehydeLPC 14:0N-Acetyl-Asp-Glu5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one5-Hydroxyindole-3-acetic acid(2,6-dimethylpiperidino)(3,4,5-trimethoxyphenyl)methanone(+/-)11(12)-EETPC (18:3e/19:2)4-OxoprolinePC (10:0/10:0)N6-Succinyl Adenosine2-Oxoglutaric acidPC (17:0/22:6)dTMPLysopc 16:1Stearoyl Ethanolamide2,3-dihydroxypropyl 12-methyltridecanoatetrans-Aconitic acid1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-oneL-PalmitoylcarnitineCystineScutellarin22(S)-Hydroxycholesterolcis,cis-Muconic acidOctanedioic acidGentisic acidOctopamineL-TryptophanFAHFA (16:0/18:2)N-Tetradecanamide3-amino-1H-pyrazolo[4,3-c]pyridine-4,6-diolThymidine 3,5-cyclic monophosphategamma-Tocopherol2-Methylpentanedioic acidCholesterol8,15-DiheteTestosteroneLevothyroxineLauric AcidDibutyl sebacateEicosapentaenoic acid4-Aminobutyric acidIsohomovanillic acidPC (22:4e/13:0)5,6-dimethyl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazineD-Xylonic Acid(2,6-dimethylmorpholino)(1-methyl-5-nitro-1H-pyrazol-4-yl)methanoneL-KynurenineCreatine(¡À)13-HpODE4-(4-nitrophenylazo)anilinePC (18:1/18:2)IDPOctopine1-[4-mercapto-2-(2-methoxyphenyl)-6-methylpyrimidin-5-yl]ethan-1-one3,4-Dihydroxyphenylpropionic acid16-Heptadecyne-1,2,4-triolPE (18:1/18:2)Arachidonic acid methyl esterPC (14:1e/22:1)D-Glucose 6-phosphateMyristic Acid(S)-Leucic acidLPC 16:22-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenolLPC 16:0Glycerol 1-hexadecanoateLPC 16:111-Deoxy prostaglandin F1¦Â11-Deoxy prostaglandin F1¦ÁLauric acid ethyl esterPC (18:1/18:1)LPE 19:0PE (18:1/18:1)HerbacetinL-MalateAdipic acidAdrenic acidCalcium D-PanthotenateLysopc 14:0SM (d14:1/21:0)ACar 20:3PC (19:0/20:5)PC (2:0/18:3)ACar 20:4ACar 20:1ACar 20:0PC (20:3/20:3)2-MethoxybenzaldehydePC (17:1/17:1)Nicotinuric AcidSM (d14:0/26:1)L-Glutamic acidN'1-[1-(2-hydroxyphenyl)ethylidene]-3-methoxybenzene-1-carbohydrazideCatechin2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-oneKKKPC (19:1/20:5)4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one(¡À)11(12)-DiHET8-iso Prostaglandin A2Palmitoleic acidCyromazineCitraconic acid(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acidCorchorifatty acid FFAHFA (18:2/8:0)Sodium [dodecanoyl(methyl)amino]acetatePalmitic acidL-beta-Imidazolelactic acidN2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine2,3-dinor Prostaglandin E1N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamideVitamin AD-(+)-MannoseGDP16-Hydroxyhexadecanoic acidSodium cholate6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-oneDelta-TridecalactoneStearamideSM (d24:1/15:0)3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid4,7-diphenyl[1,10]phenanthrolineACar 18:3ACar 18:2(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-onePC (16:0/16:1)(¡À)8-HEPEACar 18:1Nervonic acidSphingosine (d18:1)ACar 18:012-Hydroxydodecanoic acidSedanolidePC (20:3e/18:2)DeoxyadenosineEpigallocatechin gallate(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfatePC (20:3/22:6)4-Pregnen-17alpha,20alpha-Diol-3-One3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanolAsp-Phe methyl esterN4-AcetylcytidineCysteinylglycineS-Adenosyl-L-methionineLPE 17:03-(3-Methoxyphenyl)propionic acid2-(1H-1,2,3-benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide3-Indoxyl sulphate3-Methylglutaric acidPE (14:1e/22:3)PC (16:1/16:1)Royal jelly acidPC (20:3e/18:1)1,4-Cyclohexanedicarboxylic acidN-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide3',4'-DihydroxyphenylacetoneSkatoleGlycerol-3-phosphate2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diolCholine GlycerophosphatePC (20:4/22:6)2-Aminobenzenesulfonic acidDL-¦Á-TocopherolPC (14:1e/20:1)12-Oxo phytodienoic acid4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate4-MethylphenolAll-Trans-13,14-DihydroretinolSalicylic acidXanthineDiflorasonePC (20:5e/4:0)1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-oneDecanoylcarnitinePropylparabenCholine3-methyl-2-[(phenylsulfonyl)amino]butanoic acidmethyl 7-hydroxy-4-oxo-8-propyl-4H-1-benzothiine-2-carboxylateSM (d29:2/13:1)SDMA(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acidPC (18:5e/15:1)PC (20:4e/17:2)DesloratadineL-Alanyl-L-prolinePC (4:0/18:5)ethyl 2-cyano-3-(tetrahydro-3-thiophenylamino)acrylatePC (17:1/20:4)PC (18:1e/22:6)SM (d23:2/12:0)Inosine 5'-MonophosphateCarvoneLPC 12:07-Methylxanthine3-Methoxycinnamic acid2-Furoic acidHomo-Gamma-Linolenic Acid (C20:3)PalmitoylcarnitineUndecanedioic acid2-Amino-1,3-octadecanediolGlycyl-L-leucinecyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanoneIndole-3-butyric acidDiosgeninLysopc 18:3Lipoic acidINH(2E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-oneThromboxane B1Thromboxane B2PC (16:0/18:2)4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acidPC (16:0e/22:5)Sinapinic acid19(R)-Hydroxy prostaglandin F1¦ÁDihydrothyminePC (18:5/18:5)2-(Dimethylamino)Guanosine(+/-)9-HpODEH-Gly-Pro-OHPerillic acidD-(+)-Proline2-Hydroxymyristic acidDimetghyl 4-HydroxyisophthalateO1-[4-(tert-butyl)benzoyl]-2-(tert-butylsulfonyl)ethanehydroximamidePC (14:1e/8:0)SM (d14:1/18:0)DL-GlutamineSM (d14:2/28:2)N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamideACar 8:2PC (16:0/18:1)PhosphocholineLysopc 16:2 (2N Isomer)Cyclohexanecarboxylic acid11-keto Testosterone (CRM)5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-onePC (16:0e/22:6)(¡À)9-HpODESM (d20:3/16:0)N-(4-piperidinophenyl)-2-thiophenecarboxamideEstrone2-Methoxyestradiol (2-MeOE2)5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-onealpha-FarneseneLeu-ProSM (d14:1/14:1)PC (17:0/17:1)L-(-)-alpha-Amino-epsilon-CaprolactamN'1-(2-thienylmethylidene)-4-methylbenzene-1-sulfonohydrazideDL-Mandelic acid13,14-dihydro-15-keto Prostaglandin E2PC (22:5e/17:0)5¦Á-DihydrotestosteroneFeruloyl PutrescineDl-Glyceraldehyde3-phosphatePC (14:1e/6:0)2-{2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetateACar 14:3D-(-)-Quinic acid3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-onePhenylglyoxylic acidPC (17:0/17:0)PC (16:1/18:2)DL-¦Á-Aminocaprylic acidPC (18:5e/19:2)D-Raffinose3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylisoxazoleGlycodeoxycholic Acid (hydrate)N'1-(2-phenoxyacetyl)-4-(dimethylamino)benzene-1-carbohydrazide(¡À)15-HETEN1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]acetamideTributyl citrateFAHFA (18:0/20:2)IngenolGNH9-HOTrEPC (14:0e/2:0)cis-4-Hydroxy-D-prolineL-AsparagineGuanosine monophosphate4-EthylphenolPC (18:2/19:2)EtiocholanolonePC (16:0e/16:1)Lysopc 20:415(R),19(R)-Hydroxy prostaglandin F2¦ÁCytidine 5'-monophosphate (hydrate)5-Hydroxytryptopholgamma-Nonanolactone1-methyl-N-(4-piperidinophenyl)-1H-imidazole-4-sulfonamideSM (d19:1/21:1)LPE 14:03,5-Dimethoxy-4-hydroxybenzaldehydeSM (d14:0/20:0)5-[4-(phenylsulfonyl)phenyl]-1H-pyrazole2,4-dihydroxyheptadec-16-en-1-yl acetate3,4-Dimethoxycinnamic acid3-Hydroxydecanoic acidAdenosine diphosphate (ADP)PC (20:2/20:3)Kynurenic acid O-hexside13,14-dihydro-15-keto Prostaglandin A2DL-Lysine(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one17alpha-HydroxyprogesteronedUDPLysope 16:07-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-oneBoc-beta-cyano-L-alanine4'-Methoxyacetophenone20-hydroxy Leukotriene B417¦Á-HydroxyprogesteroneACar 16:1BiliverdinHecogenin2-Phosphoglyceric acidPalmitoyl sphingomyelinTKKUridine2-hydroxy-3,6-diphenylcyclohexyl acetateGRH3-bromo-2,6-dimethoxybenzoic acidD-Erythro-sphingosine 1-phosphateLPC 20:5LPC 20:3Decanoic acidVitamin B2LPC 20:4Hydroxyprogesterone caproateethyl 2-(benzylamino)-1,3-thiazole-5-carboxylatecGMP¦Á-D-Mannose 1-phosphateLPC 20:1LPC 20:2PC (16:2e/22:2)1-(3-phenylpropanoyl)-4-piperidinecarboxylic acidLPC 20:0Testosterone sulfate6-Keto-prostaglandin f1alpha2-(3-chloro-2-methylanilino)benzoic acid3-benzyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one1,2-dihydroxyheptadec-16-yn-4-yl acetatePE (18:0e/20:5)trans-3-Hexenoic acidGlycoursodeoxycholic acidIndole-3-acetic acid3-methyl-5-oxo-5-(4-toluidino)pentanoic acidLagochilinLysope 18:1VQHN1-isopropyl-2-(1H-2-pyrrolylcarbonyl)-1-hydrazinecarboxamidePE (17:0/17:1)L-TyrosineFumaric acidAcetylcarnitine(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triolPC (22:6e/14:0)Linoleic AcidCyclohexaneacetic acid(-)-Caryophyllene oxidePE (18:3e/18:0)Phenylpyruvic acidPhe-Pro2-Methylbutyl beta-D-glucopyranoside3-hydroxy-3-methylpentanedioic acid4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxoleD-Ribulose 5-phosphate5-Phenylvaleric Acidmethyl 4-methyl-2-oxo-2H-pyran-6-carboxylate3-methyl-4-[2-(2-methylphenyl)hydrazono]-4,5-dihydro-1H-pyrazol-5-onegamma-Glutamyltyrosine4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acidN-(5-acetamidopentyl)acetamide2-Arachidonyl Glycerol etherPC (6:0/16:3)methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylatePC (18:0/18:1)SpermidineS-(Methyl)GlutathioneLPC 18:2LPC 18:3EQH6-Hydroxycaproic acid2-(acetylamino)-3-(1H-indol-3-yl)propanoic acidSM (d14:0/24:1)Taurocholic acid2-(tert-butyl)-1,3-thiazolane-4-carboxylic acidErgosterol peroxideLPC 18:0LPC 18:1ACar 10:22,6-dimethoxy-N-(1-methyl-1H-pyrazol-5-yl)benzamideACar 10:1Fraxinellone(¡À)8,9-DiHETESenkyunolide APC (18:0/18:2)PC (6:0/16:4)p-Mentha-1,3,8-trieneMetanephrineHydroxyprolineCyclohexyl fentanyl-d5Suberic acidPC (19:2/18:3)5-(tert-butyl)-2-methyl-N-(4-nitrophenyl)-3-furamidePiperine(¡À)11(12)-EET4-[2-(5-bromo-2-thienyl)-4-pyrimidinyl]benzamideDehydroepiandrosterone (DHEA)PC (20:5e/20:1)5¦Á-Dihydrotestosterone glucuronideInosine-5'-monophosphate (IMP)CreatinineN2-(2,3-dihydrobenzo[b]furan-5-ylmethyl)-2-thiophenesulfonamidePC (14:1e/4:0)PC (19:2/18:4)SM (d14:1/22:0)Acetyl-L-carnitinePyridoxinePimelic acidSulcatolPC (18:5e/22:5)Cyclamic acidPC (18:0/18:0)QuercitrinGlycolithocholic acidtetranor-12(R)-HETELignoceric AcidN-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamideLysoPE 18:2TheobromineCortisol9-Oxo-10(E),12(E)-octadecadienoic acidBilirubinMethylparabenN1-(1,3-thiazol-2-yl)-2-chlorobenzamideDGMG (18:2)LevodopaJasmonic acidL-Ascorbate(4-nitrophenyl)(2,3,4,5,6-pentamethylphenyl)methanoneDihydroartemisinin(¡À)5(6)-DiHETRadicininACar 12:1TrimethyllysineACar 12:3ACar 12:2N-Desmethylvenlafaxine7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxy-2H-chromen-2-onePC (18:1e/18:1)2-FuroylglycineN1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamideIndole-3-lactic acidIsoquinolineoctadec-9-ynoic acidANHPC (18:5e/20:5)Cys-Gly7-methyl-3-nitroimidazo[1,2-a]pyridineSM (d21:0/14:1)Bz-RS-ISer(3-Ph)-OmeAnandamide (AEA)1-MethylhistidineHydrocortisoneRPKGenipin10-Hydroxydecanoic acidDL-5-Methoxytryptophan5-(2,5-dihydroxyhexyl)oxolan-2-onePC (16:0/22:5)4-Methylvaleric AcidPC (19:1/18:2)(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide2-Thio-acetyl MAGE4-acetyl-4-(ethoxycarbonyl)heptanedioic acid7-Ketolithocholic acid4-({[2-(2-oxo-1-imidazolidinyl)ethyl]imino}methyl)benzonitrile1-PalmitoylglycerolPC (20:0/18:2)LigustilideMonooleinPC (16:0/22:6)1-(4-methoxyphenyl)propane-1,2-diol2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside17beta-TrenboloneProgesterone(5S)-5-hydroxy-1,7-diphenylheptan-3-oneAllantoinDL-DipalmitoylphosphatidylcholineL-argininedihydrotachysterolMAG (18:2)SM (d14:2/25:0)8(S),15(S)-DiHETE5-HydroxytryptophanL-cysteineTaxifolinPC (18:5e/24:4)PC (18:2e/22:2)3-Indoleacrylic acidMethylmalonateLeukotriene B4 EthanolamideMethyl 3-indolyacetateMusconeSM (d14:1/20:0)3-Methoxy prostaglandin F1¦ÁMethionineN-lactoyl-phenylalaninePorphobilinogenPC (18:0e/16:1)MAG (18:3)TyrosolGuggulsteronePC (18:1/19:2)Arachidic AcidStyrene(+)-Aphidicolin3-[(Carboxycarbonyl)amino]-L-alanineDocosatrienoic AcidPC (16:0e/2:0)C-8 Ceramide-1-phosphateLysops 22:5(¡À)12(13)-DiHOMESM (d14:1/19:0)CitrininPC (18:1/20:4)PC (18:0e/16:4)1-StearoylglycerolSM (d24:2/12:0)(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide6-Deoxy-D-glucose3-Methyladipic acid4-ButylresorcinolN-allyl-2-(2-methyl-1-benzofuran-3-yl)acetamideLysops 22:6Monocyclohexyl phthalateGlu-GlnLPS 20:3LPC 15:0LPS 20:4SerotoninKojic acidLPC 15:1alpha-Benzylsuccinic acidPhenylacetylglycine2-(2-acetyl-3,5-dihydroxyphenyl)acetic acidPC (18:0e/16:3)PC (18:4e/17:0)1,6-Hexanediol diacrylate(¡À)19(20)-DiHDPA2-(Formylamino)Benzoic AcidL-HomocitrullineLeucylprolineN'-(4-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]acrylohydrazideLysoPE 18:0PC (22:6e/2:0)Lysopc 17:05-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-onePC (16:2e/2:0)N-Acetyl-DL-valine4-Hydroxybutyric acid (GHB)XanthotoxolD-(-)-GlutamineAleuritic acid2-Hydroxyphenylalanine17(S)-HpDHAFenpropimorphDL-CitrullinePE (16:1e/20:5)CortodoxonePC (22:3e/15:1)DL-Carnitine1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-nitrophenyl]-1H-imidazoleHomoarginine13,14-dihydro Prostaglandin E1PC (14:0e/5:0)L-aspartic AcidCoumarin7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-olDehydroepiandrosteroneSM (d16:0/24:2)1-(4-Methoxyphenyl)-2-propanoneTetrahydroxyxanthoneHypoxanthine1-(2-furyl)pentane-1,4-dioneMethyl caffeatePC (18:3e/2:0)2-Phenylpropionic acid4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dioneD-glutamineN-Acetyl-DL-phenylalanine15-OxoEDEHippuric acidHeptadecanoic AcidPC (20:4e/18:5)3-Methoxybenzaldehyde15(R)-Lipoxin A4PC (9:0/9:0)methadone-d9PC (18:1/19:1)PC (22:6e/19:0)Methyl palmitate4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile5-HydroxyindoleFAHFA (18:1/20:3)LPC 17:1LPC 17:02-(4-chlorophenyl)-5-(4-phenylbuta-1,3-dienyl)-2H-1,2,3,4-tetraazoleGlutaconic acid(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid(5-methyl-3-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanoneCortisoneGly-PheOxysophocarpineInosineAilanthone15(S)-HpETEPC (16:0/20:4)Glycerophospho-N-palmitoyl ethanolamineLNHdiethyl 2-[(2-morpholinoanilino)methylidene]malonateCholic acidArachidonic acidPregnenolonePC (18:5e/2:0)2-cyano-3-(2,4-dichlorophenyl)acrylic acidBenzoylecgonineEllagic acidUreidosuccinic acidN-Oleoyl GlycineTrifolin(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acidPC (16:2e/18:1)Phenylpropiolic acidPantethineCaffeine4-Phenylbutyric acid13-Hpotre(R)4-{[(morpholinosulfonyl)methyl]sulfonyl}morpholineD-Mannose 6-phosphate4-Hydroxybenzoic acidN-[4-(Aminosulfonyl)phenyl]-5-(morpholinosulfonyl)-2-furamideNonanoic acidMaltotrioseCmp_257Valproic acidTricyclazoleSebacic acid3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acidPC (17:0/18:5)N-PhenylacetylglutamineMethyldopaNicotinamide11(Z),14(Z),17(Z)-Eicosatrienoic acidGinkgolic acid C17-1Theophylline13-HPODEAtractylenolide IIILPC 22:4LPC 22:1SM (d18:2/24:1)4-Methyl-2-Oxopentanoic AcidLPC 22:5LPC 22:62-Hydroxyvaleric acidPC (17:0/18:4)N-AcetylornithineAnacardic acidOleoyl ethanolamideN-(4-butyl-2-methylphenyl)-N'-[4-(4-methylpiperazino)phenyl]ureaPC (17:1/18:2)Apigenin3-[2-(4-isobutylphenyl)-2-oxoethyl]-1,3-dihydroisobenzofuran-1-oneGlucose 1-phosphateN'-(4-chlorophenyl)-4-ethylbenzohydrazide4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acidPyridoxamineRibulose-5-phosphateL-Pyroglutamic acid9-Oxo-ODELQHBiochanin AN-(2-morpholinophenyl)-2,1,3-benzoxadiazole-4-sulfonamideDodecanedioic acidPC (18:4e/2:0)PC (5:0/13:1)6-AminonicotinamideAndrosteronePC (17:0/18:3)ADP-ribosePC (17:1/18:1)LPE 18:0PC (3:0/16:4)(2-amino-5-chlorophenyl)(phenyl)methanone oximeLPE 18:119(R)-hydroxy Prostaglandin A2LPE 18:2AcetylcholineSM (d18:0/16:2)LPE 18:3PC (18:4e/20:1)5-OxoETEAdenosine 5'-monophosphateSM (d14:0/19:1)2-(3,4-dimethoxyphenyl)ethanamineN-LauroylsarcosineD(+)-Phenyllactic acidLPS 18:02-(benzylamino)-1,3-thiazole-5-carboxylic acidPC (16:1e/22:3)D-Fructose 6-phosphate3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-oneTryptophanolPC (18:2e/22:6)D-HomocysteineSM (d30:3/12:0)Cotinine13,14-dihydro-15-keto-tetranor Prostaglandin D2PC (18:4e/4:0)PC (18:2/20:4)PC (16:0/17:2)2-Hydroxy-3-methylbutanoic acidACar 7:07¦Á-HydroxytestosteronePC (18:1/20:5)DL-StachydrineLinolelaidic Acid (C18:2N6T)Methyl jasmonatePE (16:1e/22:6)DihydrokawainDibutyl maleateSM (d22:1/20:2)Nonadecanoic acidcis-gondoic acid(5-L-Glutamyl)-L-Amino Acid13,14-dihydro-15-keto-tetranor Prostaglandin E2(R)-3-Hydroxy myristic acidPhe-PhePC (18:2/20:5)Mag (18:1)Methionine sulfoxideHLKElaidic acidHexadecanamideGuanethidine Monosulfatep-HydroxybenzaldehydeAzelaic acidSM (d30:2/12:1)16(R)-HETE(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol2,5-Furandicarboxylic acidN1-phenyl-2-(2-phenylacetyl)hydrazine-1-carbothioamideDeoxycholic acidFAHFA (16:0/3:0)N'-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide4-(hydroxymethyl)benzoic acidLPE 16:0LPE 16:1falseDifferential Metabolomic Biomarkers Analysis of Apheresis Platelet Storage Based on Machine Learning ModelsPlatelet storage lesion (PSL) is a critical factor limiting the efficacy of platelet transfusion. Although hypothermic (4°C) storage is considered beneficial for maintaining platelet function, the underlying mechanisms of systemic metabolic reprogramming remain incompletely understood. This study aims to systematically characterize the metabolic evolution of platelets during storage at different temperatures and screen for key quality biomarkers using untargeted metabolomics combined with machine learning. Platelet samples were stored at 4°C and 22°C, respectively, and collected at various time points (Days 0–7). Untargeted metabolomics analysis was performed using liquid chromatography-mass spectrometry (LC-MS). Principal component analysis (PCA) was used for quality control. Pathway enrichment analysis was conducted using KEGG, HMDB, and Lipidmaps databases. Twenty-two machine learning algorithms were employed to construct classification models to distinguish storage conditions, with robustness verified by ablation experiments. Storage temperature significantly reshapes the purine, energy and lipid metabolic trajectories of platelets. Storage at 22°C induces metabolic homeostasis imbalance, whereas 4°C hypothermia helps maintain platelet metabolic homeostasis by inhibiting excessive metabolic consumption and the accumulation of oxidative stress precursors. This study not only confirms the advantages of hypothermic storage from a metabolic perspective but also identifies potential biomarkers for clinical platelet quality 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