{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003281","ANALYSIS_ID":"AN005376","PROJECT_ID":"PR002033","VERSION":"1","CREATED_ON":"June 21, 2024, 9:11 am"}, "PROJECT":{"PROJECT_TITLE":"Phosphate availability conditions caspofungin tolerance, capsule attachment and titan cell formation in Cryptococcus neoformans","PROJECT_SUMMARY":"There is a pressing need for new antifungal drugs to treat invasive fungal diseases. Unfortunately, the echinocandin drugs that are fungicidal against other important fungal pathogens are ineffective against Cryptococcus neoformans, the causative agent of life-threatening meningoencephalitis in immunocompromised people. Contributing mechanisms for echinocandin tolerance are emerging with connections to calcineurin signaling, the cell wall, and membrane composition. In this context, we discovered that a defect in phosphate uptake impairs the tolerance of C. neoformans to the echinocandin caspofungin.","INSTITUTE":"Life Sciences Institute, The University of British Columbia","LAST_NAME":"Alcazar Magana","FIRST_NAME":"Armando","ADDRESS":"2350 Health Sciences Mall","EMAIL":"armando.alcazarmagana@ubc.ca","PHONE":"5416097172"}, "STUDY":{"STUDY_TITLE":"Phosphate availability conditions caspofungin tolerance, capsule attachment and titan cell formation in Cryptococcus neoformans","STUDY_SUMMARY":"There is a pressing need for new antifungal drugs to treat invasive fungal diseases. Unfortunately, the echinocandin drugs that are fungicidal against other important fungal pathogens are ineffective against Cryptococcus neoformans, the causative agent of life-threatening meningoencephalitis in immunocompromised people. Contributing mechanisms for echinocandin tolerance are emerging with connections to calcineurin signaling, the cell wall, and membrane composition. In this context, we discovered that a defect in phosphate uptake impairs the tolerance of C. neoformans to the echinocandin caspofungin.","INSTITUTE":"University of British Columbia","DEPARTMENT":"Life Sciences Institute","LAST_NAME":"Alcazar Magana","FIRST_NAME":"Armando","ADDRESS":"2350 Health Sciences Mall","EMAIL":"armando.alcazarmagana@ubc.ca","NUM_GROUPS":"8","TOTAL_SUBJECTS":"28","STUDY_TYPE":"Metabolomics and lipidomics","PHONE":"5416097172"}, "SUBJECT":{"SUBJECT_TYPE":"Fungi","SUBJECT_SPECIES":"Cryptococcus neoformans"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"-", "Sample ID":"QC1", "Factors":{"Genotype":"H99","Treatment":"QC","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"QC1_1-15-2024_R-F9_16144"} }, { "Subject ID":"-", "Sample ID":"QC2", "Factors":{"Genotype":"H99","Treatment":"QC","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"QC2_1-15-2024_R-F9_16152"} }, { "Subject ID":"-", "Sample ID":"QC3", 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"Subject ID":"-", "Sample ID":"H99-iron-6h_C", "Factors":{"Genotype":"H99","Treatment":"H99-iron-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe6C_1-16-2024_R-A3_16180"} }, { "Subject ID":"-", "Sample ID":"H99-iron-6h_D", "Factors":{"Genotype":"H99","Treatment":"H99-iron-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe6D_1-15-2024_R-A4_16170"} }, { "Subject ID":"-", "Sample ID":"H99-iron-20Pi-6h_A", "Factors":{"Genotype":"H99","Treatment":"H99-iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe20P6A_1-16-2024_R-A5_16177"} }, { "Subject ID":"-", "Sample ID":"H99-iron-20Pi-6h_B", "Factors":{"Genotype":"H99","Treatment":"H99-iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe20P6B_1-15-2024_R-A6_16161"} }, { "Subject ID":"-", "Sample ID":"H99-iron-20Pi-6h_C", "Factors":{"Genotype":"H99","Treatment":"H99-iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe20P6C_1-15-2024_R-A7_16156"} }, { "Subject ID":"-", "Sample ID":"H99-iron-20Pi-6h_D", "Factors":{"Genotype":"H99","Treatment":"H99-iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe20P6D_1-15-2024_R-A8_16154"} }, { "Subject ID":"-", "Sample ID":"H99-iron-24h_A", "Factors":{"Genotype":"H99","Treatment":"H99-iron-24h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe24A_1-15-2024_R-A9_16145"} }, { "Subject ID":"-", "Sample ID":"H99-iron-24h_B", "Factors":{"Genotype":"H99","Treatment":"H99-iron-24h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe24B_1-15-2024_R-B1_16163"} }, { "Subject ID":"-", "Sample ID":"H99-iron-24h_C", "Factors":{"Genotype":"H99","Treatment":"H99-iron-24h","Sample source":"Cells"}, "Additional 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name)":"HFe20P24C_1-16-2024_R-B6_16181"} }, { "Subject ID":"-", "Sample ID":"H99-iron-20Pi-24h_D", "Factors":{"Genotype":"H99","Treatment":"H99-iron-20Pi-24h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"HFe20P24D_1-15-2024_R-B7_16148"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-6h_A", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H6A_1-15-2024_R-B8_16157"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-6h_B", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H6B_1-16-2024_R-B9_16173"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-6h_C", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H6C_1-15-2024_R-C1_16158"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-6h_D", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H6D_1-16-2024_R-C2_16182"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-20Pi-6h_A", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H20P6A_1-15-2024_R-C3_16171"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-20Pi-6h_B", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H20P6B_1-15-2024_R-C4_16166"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-20Pi-6h_C", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H20P6C_1-15-2024_R-C5_16172"} }, { "Subject ID":"-", "Sample ID":"H99-no iron-20Pi-6h_D", "Factors":{"Genotype":"H99","Treatment":"H99-no iron-20Pi-6h","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H20P6D_1-15-2024_R-C6_16146"} }, { "Subject ID":"-", "Sample ID":"QCL1", "Factors":{"Genotype":"QC","Treatment":"QC","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"QC1_5-12-2023_G-B7_12270"} }, { "Subject ID":"-", "Sample ID":"QCL2", "Factors":{"Genotype":"QC","Treatment":"QC","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"QC2_5-12-2023_G-B7_12276"} }, { "Subject ID":"-", "Sample ID":"QCL3", "Factors":{"Genotype":"QC","Treatment":"QC","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"QC3_5-13-2023_G-B7_12282"} }, { "Subject ID":"-", "Sample ID":"H99-0_A", "Factors":{"Genotype":"H99","Treatment":"0","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H99-0-A_5-12-2023_G-A4_12271"} }, { "Subject ID":"-", "Sample ID":"H99-0_B", "Factors":{"Genotype":"H99","Treatment":"0","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H99-0-B_5-12-2023_G-A5_12272"} }, { "Subject ID":"-", "Sample ID":"H99-0_C", "Factors":{"Genotype":"H99","Treatment":"0","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H99-0-C_5-12-2023_G-A6_12273"} }, { "Subject ID":"-", "Sample ID":"H99-250_A", "Factors":{"Genotype":"H99","Treatment":"250","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H99-250-A_5-12-2023_G-A7_12274"} }, { "Subject ID":"-", "Sample ID":"H99-250_B", "Factors":{"Genotype":"H99","Treatment":"250","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H99-250-B_5-12-2023_G-A8_12277"} }, { "Subject ID":"-", "Sample ID":"H99-250_C", "Factors":{"Genotype":"H99","Treatment":"250","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"H99-250-C_5-12-2023_G-A9_12278"} }, { "Subject ID":"-", "Sample ID":"Pho-0_A", "Factors":{"Genotype":"Pho","Treatment":"0","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pho-0-A_5-12-2023_G-B1_12279"} }, { "Subject ID":"-", "Sample ID":"Pho-0_B", "Factors":{"Genotype":"Pho","Treatment":"0","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pho-0-B_5-13-2023_G-B2_12280"} }, { "Subject ID":"-", "Sample ID":"Pho-0_C", "Factors":{"Genotype":"Pho","Treatment":"0","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pho-0-C_5-13-2023_G-B3_12283"} }, { "Subject ID":"-", "Sample ID":"Pho-250_A", "Factors":{"Genotype":"Pho","Treatment":"250","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pho-250-A_5-13-2023_G-B4_12284"} }, { "Subject ID":"-", "Sample ID":"Pho-250_B", "Factors":{"Genotype":"Pho","Treatment":"250","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pho-250-B_5-13-2023_G-B5_12285"} }, { "Subject ID":"-", "Sample ID":"Pho-250_C", "Factors":{"Genotype":"Pho","Treatment":"250","Sample source":"Cells"}, "Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pho-250-C_5-13-2023_G-B6_12286"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"The analysis was performed with cells grown overnight in YPD, transferred to MM at 30°C, and normalized to an OD600 of 2 with 0 mM or 250 mM Pi. After 24 h of incubation, 2 ml of cells were transferred (normalized to an OD600 of 2) into a 2 mL microcentrifuge tube. For metabolomics, cells were grown overnight in YPD, transferred into LIM (with 2.5 mM Pi) with iron (using dH2O instead of low iron water) for 24 h. 5х107 cells were transferred into LIM (low iron, low Pi), LIM (low iron, 20 mM Pi), LIM (iron, low Pi) and LIM (iron, 20 mM Pi) for 6h. 3.5х107 cells were collected into a 2 mL microcentrifuge tube. Cells were centrifuged at 13,000 rpm, 4oC for 10 min, washed three times with ice-cold nanopure water. Lipid extraction was performed using a biphasic system of cold methanol, methyltert-butyl ether (MTBE), and H2O, as described with some modifications (Matyash, et al., 2008)","SAMPLE_TYPE":"Fungal cells"}, "TREATMENT":{"TREATMENT_SUMMARY":"The analysis was performed with cells grown overnight in YPD, transferred to MM at 30°C, and normalized to an OD600 of 2 with 0 mM or 250 mM Pi."}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Lipid extraction was performed using a biphasic system of cold methanol, methyltert-butyl ether (MTBE), and H2O, as described with some modifications (Matyash, et al., 2008)."}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Separation of compounds was achieved using a multigradient method on an Acquity CSH","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Bruker Impact II","COLUMN_NAME":"Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)","SOLVENT_A":"60% acetonitrile/40% water; 0.1% formic acid; 10 mM ammonium formate","SOLVENT_B":"90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate","FLOW_GRADIENT":"0 min 15% B; 0–2 min 30% B; 2–2.5 min 50% B; 2.5–12 min 80% B; 12–12.5 min 99% B; 12.5–13.5 min 99% B; 13.5–13.7 min 15% B; 13.7-17 min 15% B.","FLOW_RATE":"0.5 ml/min","COLUMN_TEMPERATURE":"65"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS"}, "MS":{"INSTRUMENT_NAME":"Bruker Impact HD","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Raw data processing of metabolites employed Progenesis QI™ (V3.0.7600.27622) software with the METLIN™ plugin (V1.0.7642.33805)"}, "MS_METABOLITE_DATA":{ "Units":"Rel Abundance", "Data":[{"Metabolite":"1-Heneicosanoyl-glycero-3-phosphoserine","QCL1":"3098.4","QCL2":"3307.1","QCL3":"3430.2","H99-0_A":"576.9","H99-0_B":"659.7","H99-0_C":"617.0","H99-250_A":"11799.5","H99-250_B":"5844.2","H99-250_C":"9191.0","Pho-0_A":"239.2","Pho-0_B":"254.2","Pho-0_C":"254.6","Pho-250_A":"4726.2","Pho-250_B":"4333.2","Pho-250_C":"3825.0"},{"Metabolite":"DGGA 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16:0_18:2","QCL1":"4925.4","QCL2":"5343.2","QCL3":"5042.2","H99-0_A":"2650.6","H99-0_B":"2752.8","H99-0_C":"4228.6","H99-250_A":"4590.9","H99-250_B":"4570.2","H99-250_C":"5072.8","Pho-0_A":"1678.7","Pho-0_B":"2343.7","Pho-0_C":"3752.2","Pho-250_A":"13892.8","Pho-250_B":"16753.4","Pho-250_C":"5807.9"},{"Metabolite":"PS(18:0/18:1)","QCL1":"1097.6","QCL2":"1030.6","QCL3":"1007.5","H99-0_A":"138.7","H99-0_B":"240.4","H99-0_C":"201.3","H99-250_A":"1508.8","H99-250_B":"1037.1","H99-250_C":"1586.7","Pho-0_A":"92.9","Pho-0_B":"93.6","Pho-0_C":"131.7","Pho-250_A":"3194.8","Pho-250_B":"3703.8","Pho-250_C":"1274.8"},{"Metabolite":"PS(18:1/18:2)","QCL1":"1593.5","QCL2":"1563.7","QCL3":"1561.1","H99-0_A":"233.7","H99-0_B":"480.5","H99-0_C":"352.5","H99-250_A":"1541.6","H99-250_B":"1260.2","H99-250_C":"1696.8","Pho-0_A":"89.8","Pho-0_B":"166.2","Pho-0_C":"205.2","Pho-250_A":"4390.2","Pho-250_B":"4390.2","Pho-250_C":"2010.7"},{"Metabolite":"PS(18:2/18:0)","QCL1":"2730.1","QCL2":"2634.8","QCL3":"2678.6","H99-0_A":"330.1","H99-0_B":"527.6","H99-0_C":"473.8","H99-250_A":"3137.1","H99-250_B":"2593.7","H99-250_C":"3184.1","Pho-0_A":"144.3","Pho-0_B":"209.0","Pho-0_C":"305.1","Pho-250_A":"6574.7","Pho-250_B":"6977.5","Pho-250_C":"3347.1"},{"Metabolite":"PS(22:0/18:1-2OH)","QCL1":"1583.2","QCL2":"1458.6","QCL3":"1458.4","H99-0_A":"165.7","H99-0_B":"451.5","H99-0_C":"275.9","H99-250_A":"2754.6","H99-250_B":"1610.5","H99-250_C":"2395.7","Pho-0_A":"183.4","Pho-0_B":"155.5","Pho-0_C":"238.9","Pho-250_A":"5083.0","Pho-250_B":"6041.4","Pho-250_C":"2501.5"},{"Metabolite":"PS(22:1/18:1-2OH)","QCL1":"4298.9","QCL2":"4182.2","QCL3":"4609.9","H99-0_A":"413.8","H99-0_B":"1467.8","H99-0_C":"629.7","H99-250_A":"6103.3","H99-250_B":"4499.5","H99-250_C":"5182.5","Pho-0_A":"252.1","Pho-0_B":"310.5","Pho-0_C":"445.1","Pho-250_A":"9435.5","Pho-250_B":"10655.5","Pho-250_C":"6211.9"},{"Metabolite":"PS(24:1/15:0)","QCL1":"9420.8","QCL2":"8814.4","QCL3":"8732.5","H99-0_A":"605.2","H99-0_B":"1995.2","H99-0_C":"1101.0","H99-250_A":"16302.5","H99-250_B":"9586.5","H99-250_C":"14540.5","Pho-0_A":"621.0","Pho-0_B":"575.8","Pho-0_C":"914.7","Pho-250_A":"33556.3","Pho-250_B":"40419.1","Pho-250_C":"14874.4"},{"Metabolite":"SM(d18:2/TXB2)","QCL1":"2271.4","QCL2":"2214.1","QCL3":"2181.9","H99-0_A":"2533.0","H99-0_B":"2121.6","H99-0_C":"3111.9","H99-250_A":"312.8","H99-250_B":"249.7","H99-250_C":"251.2","Pho-0_A":"4566.1","Pho-0_B":"4649.9","Pho-0_C":"5173.0","Pho-250_A":"619.6","Pho-250_B":"674.2","Pho-250_C":"363.7"}], "Metabolites":[{"Metabolite":"1-Heneicosanoyl-glycero-3-phosphoserine","Accepted Compound ID":"HMDB0243883","m/z":"566.3458","Adducts":"M-H","Formula":"C27H54NO9P","Retention time (min)":"1.44"},{"Metabolite":"DGGA 16:0_18:1","Accepted Compound ID":"DGGA 16:0_18:1","m/z":"769.5462","Adducts":"M-H","Formula":"C43H78O11","Retention time (min)":"5.06"},{"Metabolite":"DGGA 16:0_18:2","Accepted Compound ID":"DGGA 16:0_18:2","m/z":"767.5303","Adducts":"M-H","Formula":"C43H76O11","Retention time (min)":"4.64"},{"Metabolite":"PA(20:5-OH(5)/a-25:0)","Accepted Compound ID":"HMDB0267278","m/z":"817.5778","Adducts":"M-H2O-H","Formula":"C48H85O9P","Retention time (min)":"4.96"},{"Metabolite":"PC(18:1/TXB2)","Accepted Compound ID":"HMDB0286453","m/z":"894.5456","Adducts":"M+Na-2H","Formula":"C46H84NO12P","Retention time (min)":"4.32"},{"Metabolite":"PC(PGE1/P-16:0)","Accepted Compound ID":"HMDB0289518","m/z":"814.5594","Adducts":"M-H","Formula":"C44H82NO10P","Retention time (min)":"4.48"},{"Metabolite":"PE 16:0_18:2","Accepted Compound ID":"PE 16:0_18:2","m/z":"714.5070","Adducts":"M-H","Formula":"C39H74NO8P","Retention time (min)":"4.82"},{"Metabolite":"PE 18:1_18:1","Accepted Compound ID":"PE 18:1_18:1","m/z":"742.5381","Adducts":"M-H","Formula":"C41H78NO8P","Retention time (min)":"5.34"},{"Metabolite":"PE 18:1_18:2","Accepted Compound ID":"PE 18:1_18:2","m/z":"740.5225","Adducts":"M-H","Formula":"C41H76NO8P","Retention time (min)":"4.87"},{"Metabolite":"PE 18:2_18:2","Accepted Compound ID":"PE 18:2_18:2","m/z":"738.5068","Adducts":"M-H","Formula":"C41H74NO8P","Retention time (min)":"4.45"},{"Metabolite":"PE(16:0/18:1)","Accepted Compound ID":"HMDB0008926","m/z":"716.5225","Adducts":"M-H","Formula":"C39H76NO8P","Retention time (min)":"5.29"},{"Metabolite":"PE(20:0/18:1-2OH)","Accepted Compound ID":"HMDB0261872","m/z":"804.5743","Adducts":"M-H","Formula":"C43H84NO10P","Retention time (min)":"5.12"},{"Metabolite":"PE(20:0/PGF1alpha)","Accepted Compound ID":"HMDB0261914","m/z":"828.5744","Adducts":"M-H2O-H","Formula":"C45H86NO11P","Retention time (min)":"4.72"},{"Metabolite":"PE(20:1/18:1-2OH)","Accepted Compound ID":"HMDB0261976","m/z":"802.5592","Adducts":"M-H","Formula":"C43H82NO10P","Retention time (min)":"4.67"},{"Metabolite":"PE(20:1/PGF1alpha)","Accepted Compound ID":"HMDB0262018","m/z":"826.5587","Adducts":"M-H2O-H","Formula":"C45H84NO11P","Retention time (min)":"4.32"},{"Metabolite":"PE(TXB2/22:1)","Accepted Compound ID":"HMDB0283857","m/z":"868.5746","Adducts":"M-H2O-H","Formula":"C47H86NO12P","Retention time (min)":"4.97"},{"Metabolite":"PI 16:0_18:1","Accepted Compound ID":"PI 16:0_18:1","m/z":"835.5325","Adducts":"M-H","Formula":"C43H81O13P","Retention time (min)":"4.54"},{"Metabolite":"PI 16:0_18:2","Accepted Compound ID":"PI 16:0_18:2","m/z":"833.5172","Adducts":"M-H","Formula":"C43H79O13P","Retention time (min)":"4.16"},{"Metabolite":"PS(18:0/18:1)","Accepted Compound ID":"HMDB0010163","m/z":"810.5251","Adducts":"M+Na-2H","Formula":"C42H80NO10P","Retention time (min)":"5.34"},{"Metabolite":"PS(18:1/18:2)","Accepted Compound ID":"HMDB0112389","m/z":"806.4943","Adducts":"M+Na-2H","Formula":"C42H76NO10P","Retention time (min)":"4.45"},{"Metabolite":"PS(18:2/18:0)","Accepted Compound ID":"HMDB0012400","m/z":"808.5095","Adducts":"M+Na-2H","Formula":"C42H78NO10P","Retention time (min)":"4.87"},{"Metabolite":"PS(22:0/18:1-2OH)","Accepted Compound ID":"HMDB0282930","m/z":"898.5764","Adducts":"M+Na-2H","Formula":"C46H88NO12P","Retention time (min)":"5.18"},{"Metabolite":"PS(22:1/18:1-2OH)","Accepted Compound ID":"HMDB0283034","m/z":"896.5612","Adducts":"M+Na-2H","Formula":"C46H86NO12P","Retention time (min)":"4.73"},{"Metabolite":"PS(24:1/15:0)","Accepted Compound ID":"HMDB0112912","m/z":"830.5895","Adducts":"M-H","Formula":"C45H86NO10P","Retention time (min)":"5.18"},{"Metabolite":"SM(d18:2/TXB2)","Accepted Compound ID":"HMDB0290575","m/z":"835.5186","Adducts":"M+Na-2H","Formula":"C43H79N2O10P","Retention time (min)":"4.64"}] } }