The 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.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Samples 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.
"],"publication":["Differential Metabolomic Biomarkers Analysis of Apheresis Platelet Storage Based on Machine Learning Models."],"submitter_name":["Yaoqiang Du"],"submitter_affiliation":["Zhejiang Provincial People's Hospital"],"organism_part":["Platelet"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["The 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.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15165"],"author":["Yaoqiang Du. Zhejiang Provincial People's Hospital. No. 158 Shangtang Road, Gongshu District. duyaoqiang@hmc.edu.cn."],"data_transformation_protocol":["The raw MS data were converted to MzML files using Compound Discoverer 3.1.
"],"study_factor":["Biological replicate"],"submitter_email":["duyaoqiang@hmc.edu.cn"],"sample_collection_protocol":["Groups 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).
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","Metabolomics","Q Exactive™ HF-X high-resolution mass spectrometer","Platelet","Lipidmaps","untargeted analysis","mzVault","Thermo Scientific Q Exactive HF-X","Homo sapiens","experimental blank","Compound Discoverer","Vanquish™ ultra-high-performance liquid chromatography"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","Metabolomics","Q Exactive™ HF-X high-resolution mass spectrometer","Platelet","Lipidmaps","untargeted analysis","mzVault","Thermo Scientific Q Exactive HF-X","Homo sapiens","experimental blank","Compound Discoverer","Vanquish™ ultra-high-performance liquid chromatography"],"mass_spectrometry_protocol":["Q 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.
"],"metabolite_name":["HNH","2-morpholino-1-phenyl-1-ethanol","Monolaurin","3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin","13(S)-HOTrE","Methyl hexadecanoate","PC (18:0/20:5)","Dl-3,4-Dihydroxymandelic Acid","Lysopa 16:0","8-Aminooctanoic acid","XLR11 N-(4-hydroxypentyl) metabolite-d5","1-(3,4-dimethoxyphenyl)ethan-1-one oxime","Methandrostenolone","L-Histidine","Isobutyryl carnitine","2-Arachidonoyl glycerol","PC (14:0e/20:3)","Cholest-4-en-3-one","SM (d16:2/26:2)","D-Sphingosine","Prostaglandin H2","2,3-Dinor-TXB2","Potassium 7-hydroxy-1-naphthalenesulfonate","PC (18:2e/16:1)","(¡À)8(9)-DiHET","Capric acid","3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol","Methyl indole-3-acetate","Dioctyldimethylammonium chloride","(¡À)18-HEPE","3-(5,7-dimethoxy-4-oxo-4H-chromen-2-yl)propanoic acid","N-Acetyl-D-tryptophan","4-Hydroxybenzaldehyde","PC (18:5e/4:0)","Hexanoylcarnitine","3-(4-methoxyphenoxy)propanoic acid","HPK","N1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylpropanamide","(¡À)11-HETE","Dl-Indole-3-lactic acid","L-lysine","ACar 26:2","8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one","Bis(3,5,5-trimethylhexyl) phthalate","ACar 26:0","Proline-hydroxyproline","Prostaglandin E1","PC (16:1e/24:4)","Jasmone","20-Carboxy-Leukotriene B4","Mevalonic acid","Pinocembrin","3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione","2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid","PC (20:4e/4:0)","PC (20:4/20:4)","N-Carbamyl-L-glutamicacid","Methyltestosterone","6-Methylquinoline","FMK","5-[(2-hydroxybenzylidene)amino]-2-(2-methoxyethoxy)benzoic acid","(2E)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl beta-D-glucopyranoside","all-cis-4,7,10,13,16-Docosapentaenoic acid","D-(+)-Maltose","Tetrahydrocorticosterone","(+/-)12(13)-DiHOME","ACar 15:0","Methyl vanillate","PE (18:0/20:4)","Caffeic acid","1-(4-hydroxyphenyl)propane-1,2-diol","5-chloro-2-cyclopropyl-6-methylpyrimidin-4-ol","Isophorone","Oleamide","1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide","Glycochenodeoxycholic Acid (sodium salt)","tetranor-PGFM","trans-10-Heptadecenoic acid","N-Acetylneuraminic acid","Pantothenic acid","PC (19:2/20:5)","10-Undecenoic acid","2-Propylglutaric acid","3-hydroxy-2-octylpentanedioic acid","7-Ketocholesterol","12(S)-HETE","L-Ornithine","PC (17:0/18:2)","LPA 16:0","5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid","PC (18:0/19:2)","5-chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione","Spiculisporic Acid","N-Formylkynurenine","19-Nortestosterone","PS (19:1/19:1)","LPE 22:4","LPE 22:5","PC (4:0/16:3)","Ethyl chrysanthemumate","LPE 22:6","nor-6¦Á-¦¯xycodol","11(Z),14(Z)-Eicosadienoic Acid","(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one","4-oxododecanedioic acid","3-(3,4,5-trimethoxyphenyl)propanoic acid","lithocholic acid","Prostaglandin D3","Prostaglandin D2","PC (17:0/18:1)","Asp-glu","1-(4-methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione","(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid","trans-Petroselinic Acid","PS (19:1/19:2)","PC (22:6e/13:1)","UMP","2-Phenylglycine","SM (d23:2/15:0)","Asaraldehyde","PC (4:0/16:4)","PC (14:1e/5:0)","4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile","3-Hydroxybenzoic acid","PC (18:0e/2:0)","Indole","N-(5-Aminopentyl)acetamide","PC (17:0/18:0)","(¡À)10(11)-EpDPA","SM (d14:2/20:0)","Prostaglandin A3","DL-Arginine","10-Nitrolinoleate","PC (14:0e/22:3)","4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one","o-Cresol","13-OxoODE","PC (19:2/20:4)","L-Thyroxine","Adenosine","Uric acid","Prostaglandin B2","DL-Norvaline","2-Hydroxycinnamic acid","2-phenyl-1-(2-pyridylmethyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione","23-Norcholic acid","PC (14:0e/17:2)","Xanthoxyline","PC (18:2/18:2)","Clareolide","PC (14:0e/22:4)","2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid","1-[6-(benzyloxy)-3-(tert-butyl)-2-hydroxyphenyl]ethan-1-one","2-Isopropylmalate","Dichloroacetic acid","PC (14:1e/3:0)","4-Hydroxyretinoic Acid","L-Phenylalanine","Ascorbic acid","N1-isopropyl-2-(phenylthio)benzamide","2-{2-[2,5-di(methoxycarbonyl)anilino]-2-oxoethoxy}acetic acid","PC (19:2/19:2)","2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside","Tetradecanedioic acid","Traumatic acid","Propionyl-L-carnitine","Isoproterenol","Docosahexaenoic acid","11,12-Epoxy-(5Z,8Z,11Z)-icosatrienoic acid","SM (d14:2/22:0)","N1-prop-2-ynyl-2,5-di(2,2,2-trifluoroethoxy)benzene-1-sulfonamide","LPE 20:1","LPE 20:2","LPE 20:3","LPE 20:4","LPE 20:0","D-(+)-Glucose","PC (14:0e/22:5)","Dihydroartemisinic acid","N-Acetyl-L-tyrosine","LPE 20:5","¦Ä-Ribono-1,4-lactone","PC (18:3e/17:0)","gamma-Glutamylleucine","Tetrahydrocortisone","Pleuromutilin","Terephthalic acid","PC (20:5e/18:2)","4-(octyloxy)benzoic acid","FAHFA (18:2/20:4)","Methyl EudesMate","PC (14:0e/17:0)","LPA 18:0","SM (d15:1/26:1)","12,13-EODE","1-(2'-fluoro[1,1'-biphenyl]-4-yl)propan-1-one","DL-Tryptophan","6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide","ACar 22:1","2,3,4-Trihydroxybenzoic acid","Erythrono-1,4-lactone","PC (16:2e/4:0)","ACar 22:0","PC (18:1e/17:1)","(¡À)7(8)-DiHDPA","3,4-dimethyl-N-[4-(4-methylpiperazino)benzyl]benzamide","Adenosine 5'-Diphosphate","LPC 19:1","4-Methoxycinnamic Acid","3-Acetyl-2,5-dimethylfuran","ethyl 4-({[(3-morpholinopropyl)amino]carbothioyl}amino)benzoate","11(E)-Eicosenoic Acid","Xanthosine","Lysopg 18:1","ACar 11:0","1,4-dihydroxyheptadec-16-en-2-yl acetate","Citric acid","FAHFA (18:0/3:0)","Bicyclo prostaglandin E2","6-Pentyl-2H-pyran-2-one","L-serine","6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one","PC (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)-enolide","Oleoyl ethylamide","PC (20:3e/2:0)","bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate","2-(acetylamino)-4-(methylthio)butanoic acid","Prostaglandin K2","Oleic Acid","UDP-N-acetyl-alpha-D-glucosamine","PC (20:1/18:2)","Tauroursodeoxycholic acid","Glycocholic acid","Pipecolic acid","P-Coumaroyl Agmatine","Indole-3-acrylic acid","Methyl cinnamate","PC (2:0/20:5)","PC (19:1/19:1)","Stearic acid","Orotidine","Chenodeoxycholic acid-3-beta-D-glucuronide","Tretinoin","PC (14:0e/24:4)","2-Hydroxycaproic acid","Estropipate","1-Palmitoyl-Sn-Glycero-3-Phosphocholine","Asp-Phe","2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one","5-(3-cyclohexylprop-1-ynyl)nicotinic acid","Bisphenol A","SM (d24:2/18:1)","(¡À)13-HODE","SM (d20:3/22:2)","Monobutyl phthalate","PC (18:5e/21:2)","L-Glutamate","PC (14:1e/24:2)","PC (18:4e/22:5)","1-(2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)propan-1-one","23-Nordeoxycholic acid","SM (d15:3/25:1)","ACar 24:1","1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one","Mono(2-ethylhexyl) phthalate (MEHP)","ACar 24:0","Safrole","L-Adrenaline","DAG (18:1/18:2)","N-benzyl-N,3,5-trimethylisoxazole-4-carboxamide","cis-Aconitic acid","3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","Methyl linoleate","N-benzyl-N-isopropyl-N'-(4-isopropylphenyl)thiourea","ACar 13:0","PC (14:0e/3:0)","Biocytin","1-Methyluric acid","Stercobilin","Oleoyl-L-alpha-lysophosphatidic acid","(4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone","Ethyl paraben","4-Hydroxyisoleucine","(¡À)9(10)-DiHOME","(¡À)17(18)-EpETE","N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-4-(trifluoromethyl)benzamide","Punicic Acid","Coenzyme Q2","1-Methylhistamine","Taurine","L-Cysteine-glutathione gisulfide","Docosanoic Acid","Gamma-Glu-Leu","12-epi Leukotriene B4","Licochalcone A","DL-4-Hydroxyphenyllactic acid","L-Threonine","(¡À)9(10)-EpOME","o-Toluic Acid","3-(4-Hydroxyphenyl)propionic acid","3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine","alpha-Ketoglutaric acid","LSD-d3","PC (22:6e/18:5)","4-Ethylbenzaldehyde","LPC 14:0","N-Acetyl-Asp-Glu","5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one","5-Hydroxyindole-3-acetic acid","(2,6-dimethylpiperidino)(3,4,5-trimethoxyphenyl)methanone","(+/-)11(12)-EET","PC (18:3e/19:2)","4-Oxoproline","PC (10:0/10:0)","N6-Succinyl Adenosine","2-Oxoglutaric acid","PC (17:0/22:6)","dTMP","Lysopc 16:1","Stearoyl Ethanolamide","2,3-dihydroxypropyl 12-methyltridecanoate","trans-Aconitic acid","1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one","L-Palmitoylcarnitine","Cystine","Scutellarin","22(S)-Hydroxycholesterol","cis,cis-Muconic acid","Octanedioic acid","Gentisic acid","Octopamine","L-Tryptophan","FAHFA (16:0/18:2)","N-Tetradecanamide","3-amino-1H-pyrazolo[4,3-c]pyridine-4,6-diol","Thymidine 3,5-cyclic monophosphate","gamma-Tocopherol","2-Methylpentanedioic acid","Cholesterol","8,15-Dihete","Testosterone","Levothyroxine","Lauric Acid","Dibutyl sebacate","Eicosapentaenoic acid","4-Aminobutyric acid","Isohomovanillic acid","PC (22:4e/13:0)","5,6-dimethyl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine","D-Xylonic Acid","(2,6-dimethylmorpholino)(1-methyl-5-nitro-1H-pyrazol-4-yl)methanone","L-Kynurenine","Creatine","(¡À)13-HpODE","4-(4-nitrophenylazo)aniline","PC (18:1/18:2)","IDP","Octopine","1-[4-mercapto-2-(2-methoxyphenyl)-6-methylpyrimidin-5-yl]ethan-1-one","3,4-Dihydroxyphenylpropionic acid","16-Heptadecyne-1,2,4-triol","PE (18:1/18:2)","Arachidonic acid methyl ester","PC (14:1e/22:1)","D-Glucose 6-phosphate","Myristic Acid","(S)-Leucic acid","LPC 16:2","2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenol","LPC 16:0","Glycerol 1-hexadecanoate","LPC 16:1","11-Deoxy prostaglandin F1¦Â","11-Deoxy prostaglandin F1¦Á","Lauric acid ethyl ester","PC (18:1/18:1)","LPE 19:0","PE (18:1/18:1)","Herbacetin","L-Malate","Adipic acid","Adrenic acid","Calcium D-Panthotenate","Lysopc 14:0","SM (d14:1/21:0)","ACar 20:3","PC (19:0/20:5)","PC (2:0/18:3)","ACar 20:4","ACar 20:1","ACar 20:0","PC (20:3/20:3)","2-Methoxybenzaldehyde","PC (17:1/17:1)","Nicotinuric Acid","SM (d14:0/26:1)","L-Glutamic acid","N'1-[1-(2-hydroxyphenyl)ethylidene]-3-methoxybenzene-1-carbohydrazide","Catechin","2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one","KKK","PC (19:1/20:5)","4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one","(¡À)11(12)-DiHET","8-iso Prostaglandin A2","Palmitoleic acid","Cyromazine","Citraconic acid","(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid","Corchorifatty acid F","FAHFA (18:2/8:0)","Sodium [dodecanoyl(methyl)amino]acetate","Palmitic acid","L-beta-Imidazolelactic acid","N2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine","2,3-dinor Prostaglandin E1","N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide","Vitamin A","D-(+)-Mannose","GDP","16-Hydroxyhexadecanoic acid","Sodium cholate","6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-one","Delta-Tridecalactone","Stearamide","SM (d24:1/15:0)","3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid","4,7-diphenyl[1,10]phenanthroline","ACar 18:3","ACar 18:2","(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one","PC (16:0/16:1)","(¡À)8-HEPE","ACar 18:1","Nervonic acid","Sphingosine (d18:1)","ACar 18:0","12-Hydroxydodecanoic acid","Sedanolide","PC (20:3e/18:2)","Deoxyadenosine","Epigallocatechin gallate","(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate","PC (20:3/22:6)","4-Pregnen-17alpha,20alpha-Diol-3-One","3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol","Asp-Phe methyl ester","N4-Acetylcytidine","Cysteinylglycine","S-Adenosyl-L-methionine","LPE 17:0","3-(3-Methoxyphenyl)propionic acid","2-(1H-1,2,3-benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide","3-Indoxyl sulphate","3-Methylglutaric acid","PE (14:1e/22:3)","PC (16:1/16:1)","Royal jelly acid","PC (20:3e/18:1)","1,4-Cyclohexanedicarboxylic acid","N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide","3',4'-Dihydroxyphenylacetone","Skatole","Glycerol-3-phosphate","2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol","5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol","Choline Glycerophosphate","PC (20:4/22:6)","2-Aminobenzenesulfonic acid","DL-¦Á-Tocopherol","PC (14:1e/20:1)","12-Oxo phytodienoic acid","4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate","4-Methylphenol","All-Trans-13,14-Dihydroretinol","Salicylic acid","Xanthine","Diflorasone","PC (20:5e/4:0)","1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one","Decanoylcarnitine","Propylparaben","Choline","3-methyl-2-[(phenylsulfonyl)amino]butanoic acid","methyl 7-hydroxy-4-oxo-8-propyl-4H-1-benzothiine-2-carboxylate","SM (d29:2/13:1)","SDMA","(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid","PC (18:5e/15:1)","PC (20:4e/17:2)","Desloratadine","L-Alanyl-L-proline","PC (4:0/18:5)","ethyl 2-cyano-3-(tetrahydro-3-thiophenylamino)acrylate","PC (17:1/20:4)","PC (18:1e/22:6)","SM (d23:2/12:0)","Inosine 5'-Monophosphate","Carvone","LPC 12:0","7-Methylxanthine","3-Methoxycinnamic acid","2-Furoic acid","Homo-Gamma-Linolenic Acid (C20:3)","Palmitoylcarnitine","Undecanedioic acid","2-Amino-1,3-octadecanediol","Glycyl-L-leucine","cyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanone","Indole-3-butyric acid","Diosgenin","Lysopc 18:3","Lipoic acid","INH","(2E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-one","Thromboxane B1","Thromboxane B2","PC (16:0/18:2)","4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid","3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acid","PC (16:0e/22:5)","Sinapinic acid","19(R)-Hydroxy prostaglandin F1¦Á","Dihydrothymine","PC (18:5/18:5)","2-(Dimethylamino)Guanosine","(+/-)9-HpODE","H-Gly-Pro-OH","Perillic acid","D-(+)-Proline","2-Hydroxymyristic acid","Dimetghyl 4-Hydroxyisophthalate","O1-[4-(tert-butyl)benzoyl]-2-(tert-butylsulfonyl)ethanehydroximamide","PC (14:1e/8:0)","SM (d14:1/18:0)","DL-Glutamine","SM (d14:2/28:2)","N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide","ACar 8:2","PC (16:0/18:1)","Phosphocholine","Lysopc 16:2 (2N Isomer)","Cyclohexanecarboxylic acid","11-keto Testosterone (CRM)","5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one","PC (16:0e/22:6)","(¡À)9-HpODE","SM (d20:3/16:0)","N-(4-piperidinophenyl)-2-thiophenecarboxamide","Estrone","2-Methoxyestradiol (2-MeOE2)","5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","alpha-Farnesene","Leu-Pro","SM (d14:1/14:1)","PC (17:0/17:1)","L-(-)-alpha-Amino-epsilon-Caprolactam","N'1-(2-thienylmethylidene)-4-methylbenzene-1-sulfonohydrazide","DL-Mandelic acid","13,14-dihydro-15-keto Prostaglandin E2","PC (22:5e/17:0)","5¦Á-Dihydrotestosterone","Feruloyl Putrescine","Dl-Glyceraldehyde3-phosphate","PC (14:1e/6:0)","2-{2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetate","ACar 14:3","D-(-)-Quinic acid","3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","Phenylglyoxylic acid","PC (17:0/17:0)","PC (16:1/18:2)","DL-¦Á-Aminocaprylic acid","PC (18:5e/19:2)","D-Raffinose","3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylisoxazole","Glycodeoxycholic Acid (hydrate)","N'1-(2-phenoxyacetyl)-4-(dimethylamino)benzene-1-carbohydrazide","(¡À)15-HETE","N1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]acetamide","Tributyl citrate","FAHFA (18:0/20:2)","Ingenol","GNH","9-HOTrE","PC (14:0e/2:0)","cis-4-Hydroxy-D-proline","L-Asparagine","Guanosine monophosphate","4-Ethylphenol","PC (18:2/19:2)","Etiocholanolone","PC (16:0e/16:1)","Lysopc 20:4","15(R),19(R)-Hydroxy prostaglandin F2¦Á","Cytidine 5'-monophosphate (hydrate)","5-Hydroxytryptophol","gamma-Nonanolactone","1-methyl-N-(4-piperidinophenyl)-1H-imidazole-4-sulfonamide","SM (d19:1/21:1)","LPE 14:0","3,5-Dimethoxy-4-hydroxybenzaldehyde","SM (d14:0/20:0)","5-[4-(phenylsulfonyl)phenyl]-1H-pyrazole","2,4-dihydroxyheptadec-16-en-1-yl acetate","3,4-Dimethoxycinnamic acid","3-Hydroxydecanoic acid","Adenosine diphosphate (ADP)","PC (20:2/20:3)","Kynurenic acid O-hexside","13,14-dihydro-15-keto Prostaglandin A2","DL-Lysine","(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one","17alpha-Hydroxyprogesterone","dUDP","Lysope 16:0","7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one","Boc-beta-cyano-L-alanine","4'-Methoxyacetophenone","20-hydroxy Leukotriene B4","17¦Á-Hydroxyprogesterone","ACar 16:1","Biliverdin","Hecogenin","2-Phosphoglyceric acid","Palmitoyl sphingomyelin","TKK","Uridine","2-hydroxy-3,6-diphenylcyclohexyl acetate","GRH","3-bromo-2,6-dimethoxybenzoic acid","D-Erythro-sphingosine 1-phosphate","LPC 20:5","LPC 20:3","Decanoic acid","Vitamin B2","LPC 20:4","Hydroxyprogesterone caproate","ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate","cGMP","¦Á-D-Mannose 1-phosphate","LPC 20:1","LPC 20:2","PC (16:2e/22:2)","1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid","LPC 20:0","Testosterone sulfate","6-Keto-prostaglandin f1alpha","2-(3-chloro-2-methylanilino)benzoic acid","3-benzyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one","1,2-dihydroxyheptadec-16-yn-4-yl acetate","PE (18:0e/20:5)","trans-3-Hexenoic acid","Glycoursodeoxycholic acid","Indole-3-acetic acid","3-methyl-5-oxo-5-(4-toluidino)pentanoic acid","Lagochilin","Lysope 18:1","VQH","N1-isopropyl-2-(1H-2-pyrrolylcarbonyl)-1-hydrazinecarboxamide","PE (17:0/17:1)","L-Tyrosine","Fumaric acid","Acetylcarnitine","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol","PC (22:6e/14:0)","Linoleic Acid","Cyclohexaneacetic acid","(-)-Caryophyllene oxide","PE (18:3e/18:0)","Phenylpyruvic acid","Phe-Pro","2-Methylbutyl beta-D-glucopyranoside","3-hydroxy-3-methylpentanedioic acid","4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole","D-Ribulose 5-phosphate","5-Phenylvaleric Acid","methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate","3-methyl-4-[2-(2-methylphenyl)hydrazono]-4,5-dihydro-1H-pyrazol-5-one","gamma-Glutamyltyrosine","4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid","N-(5-acetamidopentyl)acetamide","2-Arachidonyl Glycerol ether","PC (6:0/16:3)","methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate","PC (18:0/18:1)","Spermidine","S-(Methyl)Glutathione","LPC 18:2","LPC 18:3","EQH","6-Hydroxycaproic acid","2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid","SM (d14:0/24:1)","Taurocholic acid","2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid","Ergosterol peroxide","LPC 18:0","LPC 18:1","ACar 10:2","2,6-dimethoxy-N-(1-methyl-1H-pyrazol-5-yl)benzamide","ACar 10:1","Fraxinellone","(¡À)8,9-DiHETE","Senkyunolide A","PC (18:0/18:2)","PC (6:0/16:4)","p-Mentha-1,3,8-triene","Metanephrine","Hydroxyproline","Cyclohexyl fentanyl-d5","Suberic acid","PC (19:2/18:3)","5-(tert-butyl)-2-methyl-N-(4-nitrophenyl)-3-furamide","Piperine","(¡À)11(12)-EET","4-[2-(5-bromo-2-thienyl)-4-pyrimidinyl]benzamide","Dehydroepiandrosterone (DHEA)","PC (20:5e/20:1)","5¦Á-Dihydrotestosterone glucuronide","Inosine-5'-monophosphate (IMP)","Creatinine","N2-(2,3-dihydrobenzo[b]furan-5-ylmethyl)-2-thiophenesulfonamide","PC (14:1e/4:0)","PC (19:2/18:4)","SM (d14:1/22:0)","Acetyl-L-carnitine","Pyridoxine","Pimelic acid","Sulcatol","PC (18:5e/22:5)","Cyclamic acid","PC (18:0/18:0)","Quercitrin","Glycolithocholic acid","tetranor-12(R)-HETE","Lignoceric Acid","N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide","LysoPE 18:2","Theobromine","Cortisol","9-Oxo-10(E),12(E)-octadecadienoic acid","Bilirubin","Methylparaben","N1-(1,3-thiazol-2-yl)-2-chlorobenzamide","DGMG (18:2)","Levodopa","Jasmonic acid","L-Ascorbate","(4-nitrophenyl)(2,3,4,5,6-pentamethylphenyl)methanone","Dihydroartemisinin","(¡À)5(6)-DiHET","Radicinin","ACar 12:1","Trimethyllysine","ACar 12:3","ACar 12:2","N-Desmethylvenlafaxine","7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxy-2H-chromen-2-one","PC (18:1e/18:1)","2-Furoylglycine","N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide","Indole-3-lactic acid","Isoquinoline","octadec-9-ynoic acid","ANH","PC (18:5e/20:5)","Cys-Gly","7-methyl-3-nitroimidazo[1,2-a]pyridine","SM (d21:0/14:1)","Bz-RS-ISer(3-Ph)-Ome","Anandamide (AEA)","1-Methylhistidine","Hydrocortisone","RPK","Genipin","10-Hydroxydecanoic acid","DL-5-Methoxytryptophan","5-(2,5-dihydroxyhexyl)oxolan-2-one","PC (16:0/22:5)","4-Methylvaleric Acid","PC (19:1/18:2)","(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","2-Thio-acetyl MAGE","4-acetyl-4-(ethoxycarbonyl)heptanedioic acid","7-Ketolithocholic acid","4-({[2-(2-oxo-1-imidazolidinyl)ethyl]imino}methyl)benzonitrile","1-Palmitoylglycerol","PC (20:0/18:2)","Ligustilide","Monoolein","PC (16:0/22:6)","1-(4-methoxyphenyl)propane-1,2-diol","2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside","17beta-Trenbolone","Progesterone","(5S)-5-hydroxy-1,7-diphenylheptan-3-one","Allantoin","DL-Dipalmitoylphosphatidylcholine","L-arginine","dihydrotachysterol","MAG (18:2)","SM (d14:2/25:0)","8(S),15(S)-DiHETE","5-Hydroxytryptophan","L-cysteine","Taxifolin","PC (18:5e/24:4)","PC (18:2e/22:2)","3-Indoleacrylic acid","Methylmalonate","Leukotriene B4 Ethanolamide","Methyl 3-indolyacetate","Muscone","SM (d14:1/20:0)","3-Methoxy prostaglandin F1¦Á","Methionine","N-lactoyl-phenylalanine","Porphobilinogen","PC (18:0e/16:1)","MAG (18:3)","Tyrosol","Guggulsterone","PC (18:1/19:2)","Arachidic Acid","Styrene","(+)-Aphidicolin","3-[(Carboxycarbonyl)amino]-L-alanine","Docosatrienoic Acid","PC (16:0e/2:0)","C-8 Ceramide-1-phosphate","Lysops 22:5","(¡À)12(13)-DiHOME","SM (d14:1/19:0)","Citrinin","PC (18:1/20:4)","PC (18:0e/16:4)","1-Stearoylglycerol","SM (d24:2/12:0)","(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","6-Deoxy-D-glucose","3-Methyladipic acid","4-Butylresorcinol","N-allyl-2-(2-methyl-1-benzofuran-3-yl)acetamide","Lysops 22:6","Monocyclohexyl phthalate","Glu-Gln","LPS 20:3","LPC 15:0","LPS 20:4","Serotonin","Kojic acid","LPC 15:1","alpha-Benzylsuccinic acid","Phenylacetylglycine","2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid","PC (18:0e/16:3)","PC (18:4e/17:0)","1,6-Hexanediol diacrylate","(¡À)19(20)-DiHDPA","2-(Formylamino)Benzoic Acid","L-Homocitrulline","Leucylproline","N'-(4-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]acrylohydrazide","LysoPE 18:0","PC (22:6e/2:0)","Lysopc 17:0","5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one","PC (16:2e/2:0)","N-Acetyl-DL-valine","4-Hydroxybutyric acid (GHB)","Xanthotoxol","D-(-)-Glutamine","Aleuritic acid","2-Hydroxyphenylalanine","17(S)-HpDHA","Fenpropimorph","DL-Citrulline","PE (16:1e/20:5)","Cortodoxone","PC (22:3e/15:1)","DL-Carnitine","1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-nitrophenyl]-1H-imidazole","Homoarginine","13,14-dihydro Prostaglandin E1","PC (14:0e/5:0)","L-aspartic Acid","Coumarin","7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol","Dehydroepiandrosterone","SM (d16:0/24:2)","1-(4-Methoxyphenyl)-2-propanone","Tetrahydroxyxanthone","Hypoxanthine","1-(2-furyl)pentane-1,4-dione","Methyl caffeate","PC (18:3e/2:0)","2-Phenylpropionic acid","4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dione","D-glutamine","N-Acetyl-DL-phenylalanine","15-OxoEDE","Hippuric acid","Heptadecanoic Acid","PC (20:4e/18:5)","3-Methoxybenzaldehyde","15(R)-Lipoxin A4","PC (9:0/9:0)","methadone-d9","PC (18:1/19:1)","PC (22:6e/19:0)","Methyl palmitate","4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile","5-Hydroxyindole","FAHFA (18:1/20:3)","LPC 17:1","LPC 17:0","2-(4-chlorophenyl)-5-(4-phenylbuta-1,3-dienyl)-2H-1,2,3,4-tetraazole","Glutaconic acid","(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid","(5-methyl-3-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanone","Cortisone","Gly-Phe","Oxysophocarpine","Inosine","Ailanthone","15(S)-HpETE","PC (16:0/20:4)","Glycerophospho-N-palmitoyl ethanolamine","LNH","diethyl 2-[(2-morpholinoanilino)methylidene]malonate","Cholic acid","Arachidonic acid","Pregnenolone","PC (18:5e/2:0)","2-cyano-3-(2,4-dichlorophenyl)acrylic acid","Benzoylecgonine","Ellagic acid","Ureidosuccinic acid","N-Oleoyl Glycine","Trifolin","(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid","PC (16:2e/18:1)","Phenylpropiolic acid","Pantethine","Caffeine","4-Phenylbutyric acid","13-Hpotre(R)","4-{[(morpholinosulfonyl)methyl]sulfonyl}morpholine","D-Mannose 6-phosphate","4-Hydroxybenzoic acid","N-[4-(Aminosulfonyl)phenyl]-5-(morpholinosulfonyl)-2-furamide","Nonanoic acid","Maltotriose","Cmp_257","Valproic acid","Tricyclazole","Sebacic acid","3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid","PC (17:0/18:5)","N-Phenylacetylglutamine","Methyldopa","Nicotinamide","11(Z),14(Z),17(Z)-Eicosatrienoic acid","Ginkgolic acid C17-1","Theophylline","13-HPODE","Atractylenolide III","LPC 22:4","LPC 22:1","SM (d18:2/24:1)","4-Methyl-2-Oxopentanoic Acid","LPC 22:5","LPC 22:6","2-Hydroxyvaleric acid","PC (17:0/18:4)","N-Acetylornithine","Anacardic acid","Oleoyl ethanolamide","N-(4-butyl-2-methylphenyl)-N'-[4-(4-methylpiperazino)phenyl]urea","PC (17:1/18:2)","Apigenin","3-[2-(4-isobutylphenyl)-2-oxoethyl]-1,3-dihydroisobenzofuran-1-one","Glucose 1-phosphate","N'-(4-chlorophenyl)-4-ethylbenzohydrazide","4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid","Pyridoxamine","Ribulose-5-phosphate","L-Pyroglutamic acid","9-Oxo-ODE","LQH","Biochanin A","N-(2-morpholinophenyl)-2,1,3-benzoxadiazole-4-sulfonamide","Dodecanedioic acid","PC (18:4e/2:0)","PC (5:0/13:1)","6-Aminonicotinamide","Androsterone","PC (17:0/18:3)","ADP-ribose","PC (17:1/18:1)","LPE 18:0","PC (3:0/16:4)","(2-amino-5-chlorophenyl)(phenyl)methanone oxime","LPE 18:1","19(R)-hydroxy Prostaglandin A2","LPE 18:2","Acetylcholine","SM (d18:0/16:2)","LPE 18:3","PC (18:4e/20:1)","5-OxoETE","Adenosine 5'-monophosphate","SM (d14:0/19:1)","2-(3,4-dimethoxyphenyl)ethanamine","N-Lauroylsarcosine","D(+)-Phenyllactic acid","LPS 18:0","2-(benzylamino)-1,3-thiazole-5-carboxylic acid","PC (16:1e/22:3)","D-Fructose 6-phosphate","3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol","8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-one","Tryptophanol","PC (18:2e/22:6)","D-Homocysteine","SM (d30:3/12:0)","Cotinine","13,14-dihydro-15-keto-tetranor Prostaglandin D2","PC (18:4e/4:0)","PC (18:2/20:4)","PC (16:0/17:2)","2-Hydroxy-3-methylbutanoic acid","ACar 7:0","7¦Á-Hydroxytestosterone","PC (18:1/20:5)","DL-Stachydrine","Linolelaidic Acid (C18:2N6T)","Methyl jasmonate","PE (16:1e/22:6)","Dihydrokawain","Dibutyl maleate","SM (d22:1/20:2)","Nonadecanoic acid","cis-gondoic acid","(5-L-Glutamyl)-L-Amino Acid","13,14-dihydro-15-keto-tetranor Prostaglandin E2","(R)-3-Hydroxy myristic acid","Phe-Phe","PC (18:2/20:5)","Mag (18:1)","Methionine sulfoxide","HLK","Elaidic acid","Hexadecanamide","Guanethidine Monosulfate","p-Hydroxybenzaldehyde","Azelaic acid","SM (d30:2/12:1)","16(R)-HETE","(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol","2,5-Furandicarboxylic acid","N1-phenyl-2-(2-phenylacetyl)hydrazine-1-carbothioamide","Deoxycholic acid","FAHFA (16:0/3:0)","N'-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide","4-(hydroxymethyl)benzoic acid","LPE 16:0","LPE 16:1"],"additional_accession":[]},"is_claimable":false,"name":"Differential Metabolomic Biomarkers Analysis of Apheresis Platelet Storage Based on Machine Learning Models","description":"Platelet 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 assessment.
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