#METABOLOMICS WORKBENCH Armando_Alcazar_20240612_105742 DATATRACK_ID:4917 STUDY_ID:ST003281 ANALYSIS_ID:AN005376 PROJECT_ID:PR002033 VERSION 1 CREATED_ON June 21, 2024, 9:11 am #PROJECT PR:PROJECT_TITLE Phosphate availability conditions caspofungin tolerance, capsule attachment and PR:PROJECT_TITLE titan cell formation in Cryptococcus neoformans PR:PROJECT_SUMMARY There is a pressing need for new antifungal drugs to treat invasive fungal PR:PROJECT_SUMMARY diseases. Unfortunately, the echinocandin drugs that are fungicidal against PR:PROJECT_SUMMARY other important fungal pathogens are ineffective against Cryptococcus PR:PROJECT_SUMMARY neoformans, the causative agent of life-threatening meningoencephalitis in PR:PROJECT_SUMMARY immunocompromised people. Contributing mechanisms for echinocandin tolerance are PR:PROJECT_SUMMARY emerging with connections to calcineurin signaling, the cell wall, and membrane PR:PROJECT_SUMMARY composition. In this context, we discovered that a defect in phosphate uptake PR:PROJECT_SUMMARY impairs the tolerance of C. neoformans to the echinocandin caspofungin. PR:INSTITUTE Life Sciences Institute, The University of British Columbia PR:LAST_NAME Alcazar Magana PR:FIRST_NAME Armando PR:ADDRESS 2350 Health Sciences Mall PR:EMAIL armando.alcazarmagana@ubc.ca PR:PHONE 5416097172 #STUDY ST:STUDY_TITLE Phosphate availability conditions caspofungin tolerance, capsule attachment and ST:STUDY_TITLE titan cell formation in Cryptococcus neoformans ST:STUDY_SUMMARY There is a pressing need for new antifungal drugs to treat invasive fungal ST:STUDY_SUMMARY diseases. Unfortunately, the echinocandin drugs that are fungicidal against ST:STUDY_SUMMARY other important fungal pathogens are ineffective against Cryptococcus ST:STUDY_SUMMARY neoformans, the causative agent of life-threatening meningoencephalitis in ST:STUDY_SUMMARY immunocompromised people. Contributing mechanisms for echinocandin tolerance are ST:STUDY_SUMMARY emerging with connections to calcineurin signaling, the cell wall, and membrane ST:STUDY_SUMMARY composition. In this context, we discovered that a defect in phosphate uptake ST:STUDY_SUMMARY impairs the tolerance of C. neoformans to the echinocandin caspofungin. ST:INSTITUTE University of British Columbia ST:DEPARTMENT Life Sciences Institute ST:LAST_NAME Alcazar Magana ST:FIRST_NAME Armando ST:ADDRESS 2350 Health Sciences Mall ST:EMAIL armando.alcazarmagana@ubc.ca ST:NUM_GROUPS 8 ST:TOTAL_SUBJECTS 28 ST:STUDY_TYPE Metabolomics and lipidomics ST:PHONE 5416097172 #SUBJECT SU:SUBJECT_TYPE Fungi SU:SUBJECT_SPECIES Cryptococcus neoformans #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - QC1 Genotype:H99 | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC1_1-15-2024_R-F9_16144 SUBJECT_SAMPLE_FACTORS - QC2 Genotype:H99 | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC2_1-15-2024_R-F9_16152 SUBJECT_SAMPLE_FACTORS - QC3 Genotype:H99 | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC3_1-15-2024_R-F9_16160 SUBJECT_SAMPLE_FACTORS - QC4 Genotype:H99 | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC4_1-15-2024_R-F9_16168 SUBJECT_SAMPLE_FACTORS - QC5 Genotype:H99 | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC5_1-16-2024_R-F9_16176 SUBJECT_SAMPLE_FACTORS - H99-iron-6h_A Genotype:H99 | Treatment:H99-iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe6A_1-16-2024_R-A1_16174 SUBJECT_SAMPLE_FACTORS - H99-iron-6h_B Genotype:H99 | Treatment:H99-iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe6B_1-15-2024_R-A2_16164 SUBJECT_SAMPLE_FACTORS - H99-iron-6h_C Genotype:H99 | Treatment:H99-iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe6C_1-16-2024_R-A3_16180 SUBJECT_SAMPLE_FACTORS - H99-iron-6h_D Genotype:H99 | Treatment:H99-iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe6D_1-15-2024_R-A4_16170 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-6h_A Genotype:H99 | Treatment:H99-iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P6A_1-16-2024_R-A5_16177 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-6h_B Genotype:H99 | Treatment:H99-iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P6B_1-15-2024_R-A6_16161 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-6h_C Genotype:H99 | Treatment:H99-iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P6C_1-15-2024_R-A7_16156 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-6h_D Genotype:H99 | Treatment:H99-iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P6D_1-15-2024_R-A8_16154 SUBJECT_SAMPLE_FACTORS - H99-iron-24h_A Genotype:H99 | Treatment:H99-iron-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe24A_1-15-2024_R-A9_16145 SUBJECT_SAMPLE_FACTORS - H99-iron-24h_B Genotype:H99 | Treatment:H99-iron-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe24B_1-15-2024_R-B1_16163 SUBJECT_SAMPLE_FACTORS - H99-iron-24h_C Genotype:H99 | Treatment:H99-iron-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe24C_1-15-2024_R-B2_16149 SUBJECT_SAMPLE_FACTORS - H99-iron-24h_D Genotype:H99 | Treatment:H99-iron-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe24D_1-15-2024_R-B3_16147 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-24h_A Genotype:H99 | Treatment:H99-iron-20Pi-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P24A_1-15-2024_R-B4_16155 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-24h_B Genotype:H99 | Treatment:H99-iron-20Pi-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P24B_1-15-2024_R-B5_16153 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-24h_C Genotype:H99 | Treatment:H99-iron-20Pi-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P24C_1-16-2024_R-B6_16181 SUBJECT_SAMPLE_FACTORS - H99-iron-20Pi-24h_D Genotype:H99 | Treatment:H99-iron-20Pi-24h | Sample source:Cells RAW_FILE_NAME(Raw file name)=HFe20P24D_1-15-2024_R-B7_16148 SUBJECT_SAMPLE_FACTORS - H99-no iron-6h_A Genotype:H99 | Treatment:H99-no iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H6A_1-15-2024_R-B8_16157 SUBJECT_SAMPLE_FACTORS - H99-no iron-6h_B Genotype:H99 | Treatment:H99-no iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H6B_1-16-2024_R-B9_16173 SUBJECT_SAMPLE_FACTORS - H99-no iron-6h_C Genotype:H99 | Treatment:H99-no iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H6C_1-15-2024_R-C1_16158 SUBJECT_SAMPLE_FACTORS - H99-no iron-6h_D Genotype:H99 | Treatment:H99-no iron-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H6D_1-16-2024_R-C2_16182 SUBJECT_SAMPLE_FACTORS - H99-no iron-20Pi-6h_A Genotype:H99 | Treatment:H99-no iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H20P6A_1-15-2024_R-C3_16171 SUBJECT_SAMPLE_FACTORS - H99-no iron-20Pi-6h_B Genotype:H99 | Treatment:H99-no iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H20P6B_1-15-2024_R-C4_16166 SUBJECT_SAMPLE_FACTORS - H99-no iron-20Pi-6h_C Genotype:H99 | Treatment:H99-no iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H20P6C_1-15-2024_R-C5_16172 SUBJECT_SAMPLE_FACTORS - H99-no iron-20Pi-6h_D Genotype:H99 | Treatment:H99-no iron-20Pi-6h | Sample source:Cells RAW_FILE_NAME(Raw file name)=H20P6D_1-15-2024_R-C6_16146 SUBJECT_SAMPLE_FACTORS - QCL1 Genotype:QC | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC1_5-12-2023_G-B7_12270 SUBJECT_SAMPLE_FACTORS - QCL2 Genotype:QC | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC2_5-12-2023_G-B7_12276 SUBJECT_SAMPLE_FACTORS - QCL3 Genotype:QC | Treatment:QC | Sample source:Cells RAW_FILE_NAME(Raw file name)=QC3_5-13-2023_G-B7_12282 SUBJECT_SAMPLE_FACTORS - H99-0_A Genotype:H99 | Treatment:0 | Sample source:Cells RAW_FILE_NAME(Raw file name)=H99-0-A_5-12-2023_G-A4_12271 SUBJECT_SAMPLE_FACTORS - H99-0_B Genotype:H99 | Treatment:0 | Sample source:Cells RAW_FILE_NAME(Raw file name)=H99-0-B_5-12-2023_G-A5_12272 SUBJECT_SAMPLE_FACTORS - H99-0_C Genotype:H99 | Treatment:0 | Sample source:Cells RAW_FILE_NAME(Raw file name)=H99-0-C_5-12-2023_G-A6_12273 SUBJECT_SAMPLE_FACTORS - H99-250_A Genotype:H99 | Treatment:250 | Sample source:Cells RAW_FILE_NAME(Raw file name)=H99-250-A_5-12-2023_G-A7_12274 SUBJECT_SAMPLE_FACTORS - H99-250_B Genotype:H99 | Treatment:250 | Sample source:Cells RAW_FILE_NAME(Raw file name)=H99-250-B_5-12-2023_G-A8_12277 SUBJECT_SAMPLE_FACTORS - H99-250_C Genotype:H99 | Treatment:250 | Sample source:Cells RAW_FILE_NAME(Raw file name)=H99-250-C_5-12-2023_G-A9_12278 SUBJECT_SAMPLE_FACTORS - Pho-0_A Genotype:Pho | Treatment:0 | Sample source:Cells RAW_FILE_NAME(Raw file name)=Pho-0-A_5-12-2023_G-B1_12279 SUBJECT_SAMPLE_FACTORS - Pho-0_B Genotype:Pho | Treatment:0 | Sample source:Cells RAW_FILE_NAME(Raw file name)=Pho-0-B_5-13-2023_G-B2_12280 SUBJECT_SAMPLE_FACTORS - Pho-0_C Genotype:Pho | Treatment:0 | Sample source:Cells RAW_FILE_NAME(Raw file name)=Pho-0-C_5-13-2023_G-B3_12283 SUBJECT_SAMPLE_FACTORS - Pho-250_A Genotype:Pho | Treatment:250 | Sample source:Cells RAW_FILE_NAME(Raw file name)=Pho-250-A_5-13-2023_G-B4_12284 SUBJECT_SAMPLE_FACTORS - Pho-250_B Genotype:Pho | Treatment:250 | Sample source:Cells RAW_FILE_NAME(Raw file name)=Pho-250-B_5-13-2023_G-B5_12285 SUBJECT_SAMPLE_FACTORS - Pho-250_C Genotype:Pho | Treatment:250 | Sample source:Cells RAW_FILE_NAME(Raw file name)=Pho-250-C_5-13-2023_G-B6_12286 #COLLECTION CO:COLLECTION_SUMMARY The analysis was performed with cells grown overnight in YPD, transferred to MM CO:COLLECTION_SUMMARY at 30°C, and normalized to an OD600 of 2 with 0 mM or 250 mM Pi. After 24 h of CO:COLLECTION_SUMMARY incubation, 2 ml of cells were transferred (normalized to an OD600 of 2) into a CO:COLLECTION_SUMMARY 2 mL microcentrifuge tube. For metabolomics, cells were grown overnight in YPD, CO:COLLECTION_SUMMARY transferred into LIM (with 2.5 mM Pi) with iron (using dH2O instead of low iron CO:COLLECTION_SUMMARY water) for 24 h. 5х107 cells were transferred into LIM (low iron, low Pi), LIM CO:COLLECTION_SUMMARY (low iron, 20 mM Pi), LIM (iron, low Pi) and LIM (iron, 20 mM Pi) for 6h. CO:COLLECTION_SUMMARY 3.5х107 cells were collected into a 2 mL microcentrifuge tube. Cells were CO:COLLECTION_SUMMARY centrifuged at 13,000 rpm, 4oC for 10 min, washed three times with ice-cold CO:COLLECTION_SUMMARY nanopure water. Lipid extraction was performed using a biphasic system of cold CO:COLLECTION_SUMMARY methanol, methyltert-butyl ether (MTBE), and H2O, as described with some CO:COLLECTION_SUMMARY modifications (Matyash, et al., 2008) CO:SAMPLE_TYPE Fungal cells #TREATMENT TR:TREATMENT_SUMMARY The analysis was performed with cells grown overnight in YPD, transferred to MM TR:TREATMENT_SUMMARY at 30°C, and normalized to an OD600 of 2 with 0 mM or 250 mM Pi. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipid extraction was performed using a biphasic system of cold methanol, SP:SAMPLEPREP_SUMMARY methyltert-butyl ether (MTBE), and H2O, as described with some modifications SP:SAMPLEPREP_SUMMARY (Matyash, et al., 2008). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Separation of compounds was achieved using a multigradient method on an Acquity CH:CHROMATOGRAPHY_SUMMARY CSH CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Bruker Impact II CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 60% acetonitrile/40% water; 0.1% formic acid; 10 mM ammonium formate CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate CH: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 CH:FLOW_GRADIENT min 99% B; 12.5–13.5 min 99% B; 13.5–13.7 min 15% B; 13.7-17 min 15% B. CH:FLOW_RATE 0.5 ml/min CH:COLUMN_TEMPERATURE 65 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Bruker Impact HD MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Raw data processing of metabolites employed Progenesis QI™ (V3.0.7600.27622) MS:MS_COMMENTS software with the METLIN™ plugin (V1.0.7642.33805) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Rel Abundance MS_METABOLITE_DATA_START Samples QCL1 QCL2 QCL3 H99-0_A H99-0_B H99-0_C H99-250_A H99-250_B H99-250_C Pho-0_A Pho-0_B Pho-0_C Pho-250_A Pho-250_B Pho-250_C Factors Genotype:QC | Treatment:QC | Sample source:Cells Genotype:QC | Treatment:QC | Sample source:Cells Genotype:QC | Treatment:QC | Sample source:Cells Genotype:H99 | Treatment:0 | Sample source:Cells Genotype:H99 | Treatment:0 | Sample source:Cells Genotype:H99 | Treatment:0 | Sample source:Cells Genotype:H99 | Treatment:250 | Sample source:Cells Genotype:H99 | Treatment:250 | Sample source:Cells Genotype:H99 | Treatment:250 | Sample source:Cells Genotype:Pho | Treatment:0 | Sample source:Cells Genotype:Pho | Treatment:0 | Sample source:Cells Genotype:Pho | Treatment:0 | Sample source:Cells Genotype:Pho | Treatment:250 | Sample source:Cells Genotype:Pho | Treatment:250 | Sample source:Cells Genotype:Pho | Treatment:250 | Sample source:Cells 1-Heneicosanoyl-glycero-3-phosphoserine 3098.4 3307.1 3430.2 576.9 659.7 617.0 11799.5 5844.2 9191.0 239.2 254.2 254.6 4726.2 4333.2 3825.0 DGGA 16:0_18:1 4891.3 4776.5 4753.7 3786.7 4472.6 6720.0 343.4 106.5 103.4 9658.7 13382.2 21378.1 208.5 222.0 291.4 DGGA 16:0_18:2 10762.6 10547.7 10173.5 11990.2 10304.6 15288.2 621.9 116.1 82.5 24639.6 25541.5 30745.4 317.2 354.7 458.2 PA(20:5-OH(5)/a-25:0) 929.1 931.3 988.2 287.9 311.1 340.2 1528.0 1230.5 1638.2 325.8 380.4 541.2 3719.9 4397.3 1757.1 PC(18:1/TXB2) 5094.0 5110.6 5165.4 429.8 1344.3 689.6 5614.0 4507.1 5694.0 294.1 314.1 420.7 9548.9 10138.1 6294.9 PC(PGE1/P-16:0) 716.3 724.6 706.4 61.9 181.7 99.4 441.1 390.8 449.2 66.4 66.3 62.9 2574.5 2441.2 1138.4 PE 16:0_18:2 1945.9 1891.7 2167.2 1002.9 1561.6 1222.6 1613.4 1519.1 1779.6 330.1 533.0 983.8 6463.0 6764.4 2612.2 PE 18:1_18:1 6012.3 5693.3 5837.9 561.2 1166.3 944.5 8139.7 5720.2 8918.2 324.8 404.9 712.8 19635.5 22563.3 7615.8 PE 18:1_18:2 15584.1 15252.3 15689.7 1490.6 2868.2 2306.3 18447.4 14682.3 19139.9 521.3 739.4 1551.5 45606.6 51039.6 19850.2 PE 18:2_18:2 8877.5 8899.3 8770.6 1093.5 2235.4 1636.4 9056.1 7194.4 9366.8 440.7 581.6 1079.1 30331.3 30347.1 12032.3 PE(16:0/18:1) 1821.1 1669.9 1599.2 597.3 1148.1 980.6 1448.0 1180.8 1759.6 435.9 542.0 1265.1 5424.8 6310.3 2434.6 PE(20:0/18:1-2OH) 1716.5 1809.1 1730.1 308.6 705.0 420.1 2453.9 1431.3 2174.5 302.9 396.6 539.8 5219.5 5876.8 2296.2 PE(20:0/PGF1alpha) 30322.8 30287.3 33587.1 1867.0 7954.6 3342.2 44665.9 30548.8 37929.1 892.3 1213.0 2087.3 98591.2 115472.1 46491.4 PE(20:1/18:1-2OH) 5997.2 6026.3 5845.8 747.2 2211.0 1176.0 7595.6 5239.8 6836.6 862.2 949.8 1235.0 20333.9 21953.6 8389.0 PE(20:1/PGF1alpha) 35635.9 38416.0 37773.4 2123.7 7951.9 3713.9 42115.0 30595.6 41241.8 945.2 1210.7 1876.9 106892.3 117134.7 48605.9 PE(TXB2/22:1) 1396.9 1475.5 1537.7 688.7 803.2 841.3 1448.4 940.2 1498.2 884.9 1030.4 1570.5 3124.9 3740.8 1428.0 PI 16:0_18:1 4130.2 4237.7 4230.3 1745.4 2355.2 3612.5 4121.7 4088.7 4479.7 1665.4 1946.1 2962.0 11413.5 13511.2 4988.9 PI 16:0_18:2 4925.4 5343.2 5042.2 2650.6 2752.8 4228.6 4590.9 4570.2 5072.8 1678.7 2343.7 3752.2 13892.8 16753.4 5807.9 PS(18:0/18:1) 1097.6 1030.6 1007.5 138.7 240.4 201.3 1508.8 1037.1 1586.7 92.9 93.6 131.7 3194.8 3703.8 1274.8 PS(18:1/18:2) 1593.5 1563.7 1561.1 233.7 480.5 352.5 1541.6 1260.2 1696.8 89.8 166.2 205.2 4390.2 4390.2 2010.7 PS(18:2/18:0) 2730.1 2634.8 2678.6 330.1 527.6 473.8 3137.1 2593.7 3184.1 144.3 209.0 305.1 6574.7 6977.5 3347.1 PS(22:0/18:1-2OH) 1583.2 1458.6 1458.4 165.7 451.5 275.9 2754.6 1610.5 2395.7 183.4 155.5 238.9 5083.0 6041.4 2501.5 PS(22:1/18:1-2OH) 4298.9 4182.2 4609.9 413.8 1467.8 629.7 6103.3 4499.5 5182.5 252.1 310.5 445.1 9435.5 10655.5 6211.9 PS(24:1/15:0) 9420.8 8814.4 8732.5 605.2 1995.2 1101.0 16302.5 9586.5 14540.5 621.0 575.8 914.7 33556.3 40419.1 14874.4 SM(d18:2/TXB2) 2271.4 2214.1 2181.9 2533.0 2121.6 3111.9 312.8 249.7 251.2 4566.1 4649.9 5173.0 619.6 674.2 363.7 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Accepted Compound ID m/z Adducts Formula Retention time (min) 1-Heneicosanoyl-glycero-3-phosphoserine HMDB0243883 566.3458 M-H C27H54NO9P 1.44 DGGA 16:0_18:1 DGGA 16:0_18:1 769.5462 M-H C43H78O11 5.06 DGGA 16:0_18:2 DGGA 16:0_18:2 767.5303 M-H C43H76O11 4.64 PA(20:5-OH(5)/a-25:0) HMDB0267278 817.5778 M-H2O-H C48H85O9P 4.96 PC(18:1/TXB2) HMDB0286453 894.5456 M+Na-2H C46H84NO12P 4.32 PC(PGE1/P-16:0) HMDB0289518 814.5594 M-H C44H82NO10P 4.48 PE 16:0_18:2 PE 16:0_18:2 714.5070 M-H C39H74NO8P 4.82 PE 18:1_18:1 PE 18:1_18:1 742.5381 M-H C41H78NO8P 5.34 PE 18:1_18:2 PE 18:1_18:2 740.5225 M-H C41H76NO8P 4.87 PE 18:2_18:2 PE 18:2_18:2 738.5068 M-H C41H74NO8P 4.45 PE(16:0/18:1) HMDB0008926 716.5225 M-H C39H76NO8P 5.29 PE(20:0/18:1-2OH) HMDB0261872 804.5743 M-H C43H84NO10P 5.12 PE(20:0/PGF1alpha) HMDB0261914 828.5744 M-H2O-H C45H86NO11P 4.72 PE(20:1/18:1-2OH) HMDB0261976 802.5592 M-H C43H82NO10P 4.67 PE(20:1/PGF1alpha) HMDB0262018 826.5587 M-H2O-H C45H84NO11P 4.32 PE(TXB2/22:1) HMDB0283857 868.5746 M-H2O-H C47H86NO12P 4.97 PI 16:0_18:1 PI 16:0_18:1 835.5325 M-H C43H81O13P 4.54 PI 16:0_18:2 PI 16:0_18:2 833.5172 M-H C43H79O13P 4.16 PS(18:0/18:1) HMDB0010163 810.5251 M+Na-2H C42H80NO10P 5.34 PS(18:1/18:2) HMDB0112389 806.4943 M+Na-2H C42H76NO10P 4.45 PS(18:2/18:0) HMDB0012400 808.5095 M+Na-2H C42H78NO10P 4.87 PS(22:0/18:1-2OH) HMDB0282930 898.5764 M+Na-2H C46H88NO12P 5.18 PS(22:1/18:1-2OH) HMDB0283034 896.5612 M+Na-2H C46H86NO12P 4.73 PS(24:1/15:0) HMDB0112912 830.5895 M-H C45H86NO10P 5.18 SM(d18:2/TXB2) HMDB0290575 835.5186 M+Na-2H C43H79N2O10P 4.64 METABOLITES_END #END