#METABOLOMICS WORKBENCH tkind_20140624_9331541_mwtab.txt DATATRACK_ID:124 STUDY_ID:ST000077 ANALYSIS_ID:AN000124 PROJECT_ID:PR000055 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolite changes associated with methionine stress sensitivity of cancer PR:PROJECT_TYPE timecourse study PR:PROJECT_SUMMARY This West Coast Metabolomics Center pilot and feasibility project granted to PR:PROJECT_SUMMARY Peter Kaiser (UC Irvine), aims to achieve understanding of a unique metabolic PR:PROJECT_SUMMARY dependence of cancer cells to explore development of novel unconventional PR:PROJECT_SUMMARY therapeutic strategies that exploit dependence of cancer cells on methyl-donor PR:PROJECT_SUMMARY abundance. The past few years have highlighted the role of altered metabolism in PR:PROJECT_SUMMARY cancer. While mechanistic insight into changed metabolism in cancer is very PR:PROJECT_SUMMARY limited, the importance of the metabolic pathway surrounding homocysteine and PR:PROJECT_SUMMARY methionine for cancer cell proliferation has been known for over 30 years. These PR:PROJECT_SUMMARY findings, generally summarized as methionine-dependence or methionine stress PR:PROJECT_SUMMARY sensitivity, describe the phenomenon that most cancer cells cannot proliferate PR:PROJECT_SUMMARY in growth medium where the amino acid methionine is replaced with its direct PR:PROJECT_SUMMARY metabolic precursor homocysteine. Importantly, non-tumorigenic cells are PR:PROJECT_SUMMARY unaffected by replacing methionine with homocysteine in the growth medium. For PR:PROJECT_SUMMARY the past years we have been studying methionine dependence of breast and PR:PROJECT_SUMMARY prostate cancer and demonstrated that methionine-dependence is caused by PR:PROJECT_SUMMARY insufficient flux through this pathway to sustain synthesis of the downstream PR:PROJECT_SUMMARY metabolite and the principal methyl-donor S-adenosylmethionine (SAM). We have PR:PROJECT_SUMMARY isolated rare cell clones from MDA-MB468 breast cancer cells (referred to as PR:PROJECT_SUMMARY MB468RES) that are no longer methionine dependent and proliferate in PR:PROJECT_SUMMARY homocysteine medium. Interestingly, MB468RES have lost their ability for PR:PROJECT_SUMMARY anchorage independent growth, a hallmark of cancer. The MB468 and MB468RES cell PR:PROJECT_SUMMARY line pair confirms other observations showing that methionine dependence is PR:PROJECT_SUMMARY tightly linked to tumorigenicity. Importantly, this cell line pair is an ideal PR:PROJECT_SUMMARY model to identify metabolite signatures linked to cancer cell methionine PR:PROJECT_SUMMARY dependence. We propose to characterize the metabolic changes triggered by the PR:PROJECT_SUMMARY shift from normal growth medium to homocysteine medium in MB468 breast cancer PR:PROJECT_SUMMARY cells and the methionine stress insensitive MB468RES derivatives. In addition we PR:PROJECT_SUMMARY have developed cancer cell lines with inducible shRNAs targeting methionine PR:PROJECT_SUMMARY adenosyltransferase (MAT), the enzyme catalyzing synthesis of SAM from PR:PROJECT_SUMMARY methionine and ATP. Inducible knockdown of MAT allows us to specifically reduce PR:PROJECT_SUMMARY SAM synthesis. Our previous results suggest that SAM limitation is the critical PR:PROJECT_SUMMARY trigger for cancer cell methionine dependence. Thus metabolite profiling using PR:PROJECT_SUMMARY the MAT knockdown system will provide an independent dataset that together with PR:PROJECT_SUMMARY metabolite profiles from the MB468 and MB468RES cell line pair will define PR:PROJECT_SUMMARY critical metabolic profiles related to cancer cell methionine dependence. In the PR:PROJECT_SUMMARY current investigation, untargeted analysis of primary metabolites and complex PR:PROJECT_SUMMARY lipids, coupled with quantitative analysis of methionine pathway intermediates PR:PROJECT_SUMMARY (folate and respective derivatives, s-adenosylmethoinine, PR:PROJECT_SUMMARY s-adenosylhomocysteine, choline, betaine) and metabolic flux will be conducted PR:PROJECT_SUMMARY on MB468, MB468RES and MB468shRNA following the switch from methionine PR:PROJECT_SUMMARY containing media to homocysteine containing media over the course of 0, 2, 4, 8, PR:PROJECT_SUMMARY 12, 24 and 48 hours. The primary objectives were to 1) characterize the PR:PROJECT_SUMMARY metabolic response to methionine stress and SAM limitation and 2) correlate the PR:PROJECT_SUMMARY metabolic signatures with cancer cell proliferation arrest and death. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis, PR:ADDRESS 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 #STUDY ST:STUDY_TITLE Metabolite changes associated with methionine stress sensitivity of cancer (CSH ST:STUDY_TITLE MS analysis) ST:STUDY_TYPE timecourse study ST:STUDY_SUMMARY This West Coast Metabolomics Center pilot and feasibility project granted to ST:STUDY_SUMMARY Peter Kaiser (UC Irvine), aims to achieve understanding of a unique metabolic ST:STUDY_SUMMARY dependence of cancer cells to explore development of novel unconventional ST:STUDY_SUMMARY therapeutic strategies that exploit dependence of cancer cells on methyl-donor ST:STUDY_SUMMARY abundance. The past few years have highlighted the role of altered metabolism in ST:STUDY_SUMMARY cancer. While mechanistic insight into changed metabolism in cancer is very ST:STUDY_SUMMARY limited, the importance of the metabolic pathway surrounding homocysteine and ST:STUDY_SUMMARY methionine for cancer cell proliferation has been known for over 30 years. These ST:STUDY_SUMMARY findings, generally summarized as methionine-dependence or methionine stress ST:STUDY_SUMMARY sensitivity, describe the phenomenon that most cancer cells cannot proliferate ST:STUDY_SUMMARY in growth medium where the amino acid methionine is replaced with its direct ST:STUDY_SUMMARY metabolic precursor homocysteine. Importantly, non-tumorigenic cells are ST:STUDY_SUMMARY unaffected by replacing methionine with homocysteine in the growth medium. For ST:STUDY_SUMMARY the past years we have been studying methionine dependence of breast and ST:STUDY_SUMMARY prostate cancer and demonstrated that methionine-dependence is caused by ST:STUDY_SUMMARY insufficient flux through this pathway to sustain synthesis of the downstream ST:STUDY_SUMMARY metabolite and the principal methyl-donor S-adenosylmethionine (SAM). We have ST:STUDY_SUMMARY isolated rare cell clones from MDA-MB468 breast cancer cells (referred to as ST:STUDY_SUMMARY MB468RES) that are no longer methionine dependent and proliferate in ST:STUDY_SUMMARY homocysteine medium. Interestingly, MB468RES have lost their ability for ST:STUDY_SUMMARY anchorage independent growth, a hallmark of cancer. The MB468 and MB468RES cell ST:STUDY_SUMMARY line pair confirms other observations showing that methionine dependence is ST:STUDY_SUMMARY tightly linked to tumorigenicity. Importantly, this cell line pair is an ideal ST:STUDY_SUMMARY model to identify metabolite signatures linked to cancer cell methionine ST:STUDY_SUMMARY dependence. We propose to characterize the metabolic changes triggered by the ST:STUDY_SUMMARY shift from normal growth medium to homocysteine medium in MB468 breast cancer ST:STUDY_SUMMARY cells and the methionine stress insensitive MB468RES derivatives. In addition we ST:STUDY_SUMMARY have developed cancer cell lines with inducible shRNAs targeting methionine ST:STUDY_SUMMARY adenosyltransferase (MAT), the enzyme catalyzing synthesis of SAM from ST:STUDY_SUMMARY methionine and ATP. Inducible knockdown of MAT allows us to specifically reduce ST:STUDY_SUMMARY SAM synthesis. Our previous results suggest that SAM limitation is the critical ST:STUDY_SUMMARY trigger for cancer cell methionine dependence. Thus metabolite profiling using ST:STUDY_SUMMARY the MAT knockdown system will provide an independent dataset that together with ST:STUDY_SUMMARY metabolite profiles from the MB468 and MB468RES cell line pair will define ST:STUDY_SUMMARY critical metabolic profiles related to cancer cell methionine dependence. In the ST:STUDY_SUMMARY current investigation, untargeted analysis of primary metabolites and complex ST:STUDY_SUMMARY lipids, coupled with quantitative analysis of methionine pathway intermediates ST:STUDY_SUMMARY (folate and respective derivatives, s-adenosylmethoinine, ST:STUDY_SUMMARY s-adenosylhomocysteine, choline, betaine) and metabolic flux will be conducted ST:STUDY_SUMMARY on MB468, MB468RES and MB468shRNA following the switch from methionine ST:STUDY_SUMMARY containing media to homocysteine containing media over the course of 0, 2, 4, 8, ST:STUDY_SUMMARY 12, 24 and 48 hours. The primary objectives were to 1) characterize the ST:STUDY_SUMMARY metabolic response to methionine stress and SAM limitation and 2) correlate the ST:STUDY_SUMMARY metabolic signatures with cancer cell proliferation arrest and death. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility451 Health Sciences DriveDavis, CA ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 71 ST:STUDY_COMMENTS Lipidomics profiles for study #SUBJECT SU:SUBJECT_TYPE breast cancer cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN MDA-MB-468 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_100uM Met _0 hours_1132014.d Treatment:100uM Met | Timepoint:0 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_100uM Met _0 hours_1132014.d Treatment:100uM Met | Timepoint:0 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_100uM Met _0 hours_1132014.d Treatment:100uM Met | Timepoint:0 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_4-2_100uM Met _0 hours_1132014.d Treatment:100uM Met | Timepoint:0 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_370uM Hcy _2 hours_1132014.d Treatment:370uM Hcy | Timepoint:2 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_370uM Hcy _2 hours_1132014.d Treatment:370uM Hcy | Timepoint:2 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_370uM Hcy _2 hours_1132014.d Treatment:370uM Hcy | Timepoint:2 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_4-2_370uM Hcy _2 hours_1132014.d Treatment:370uM Hcy | Timepoint:2 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_370uM Hcy _4 hours_1132014.d Treatment:370uM Hcy | Timepoint:4 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_370uM Hcy _4 hours_1132014.d Treatment:370uM Hcy | Timepoint:4 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_370uM Hcy _4 hours_1132014.d Treatment:370uM Hcy | Timepoint:4 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_4-2_370uM Hcy _4 hours_1132014.d Treatment:370uM Hcy | Timepoint:4 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_370uM Hcy _8 hours_1132014.d Treatment:370uM Hcy | Timepoint:8 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_370uM Hcy _8 hours_1132014.d Treatment:370uM Hcy | Timepoint:8 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_370uM Hcy _8 hours_1132014.d Treatment:370uM Hcy | Timepoint:8 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_370uM Hcy _12 hours_1132014.d Treatment:370uM Hcy | Timepoint:12 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_370uM Hcy _12 hours_1132014.d Treatment:370uM Hcy | Timepoint:12 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_370uM Hcy _12 hours_1132014.d Treatment:370uM Hcy | Timepoint:12 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_4-2_370uM Hcy _12 hours_1132014.d Treatment:370uM Hcy | Timepoint:12 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_370uM Hcy _24 hours_1132014.d Treatment:370uM Hcy | Timepoint:24 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_370uM Hcy _24 hours_1132014.d Treatment:370uM Hcy | Timepoint:24 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_370uM Hcy _24 hours_1132014.d Treatment:370uM Hcy | Timepoint:24 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_4-2_370uM Hcy _24 hours_1132014.d Treatment:370uM Hcy | Timepoint:24 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_1-2_370uM Hcy _48 hours_1132014.d Treatment:370uM Hcy | Timepoint:48 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_2-2_370uM Hcy _48 hours_1132014.d Treatment:370uM Hcy | Timepoint:48 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_3-2_370uM Hcy _48 hours_1132014.d Treatment:370uM Hcy | Timepoint:48 hours SUBJECT_SAMPLE_FACTORS - CSH_sample_4-2_370uM Hcy _48 hours_1132014.d Treatment:370uM Hcy | Timepoint:48 hours SUBJECT_SAMPLE_FACTORS - CSH_BioRec_Plasma_01_1132014.d Treatment:quality check | Timepoint:quality check SUBJECT_SAMPLE_FACTORS - CSH_BioRec_Plasma_02_1132014.d Treatment:quality check | Timepoint:quality check SUBJECT_SAMPLE_FACTORS - CSH_BioRec_Plasma_03_1132014.d Treatment:quality check | Timepoint:quality check #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf CO:SAMPLE_TYPE Breast Cancer Cell Culture Pellets #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:COLUMN_NAME Pre-Column CH:METHODS_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf CH:COLUMN_PRESSURE 450-850 bar CH:COLUMN_TEMPERATURE 65 C CH:FLOW_GRADIENT 15% B to 99% B CH:FLOW_RATE 0.6 mL/min CH:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary CH:SAMPLE_INJECTION 1.67 uL CH:SOLVENT_A 60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid CH:SOLVENT_B 9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid CH:ANALYTICAL_TIME 13 min CH:CAPILLARY_VOLTAGE 3500 CH:TIME_PROGRAM 15 min CH:WEAK_WASH_SOLVENT_NAME Isopropanol CH:WEAK_WASH_VOLUME 5 seconds CH:STRONG_WASH_SOLVENT_NAME Same CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:SOFTWARE_VERSION MassHunter AN:DETECTOR_TYPE TOF MCP AN:DATA_FORMAT .d #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 13 l/min MS:DRY_GAS_TEMP 200 MS:FRAGMENT_VOLTAGE 175 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Neg MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DATAFORMAT .d MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples CSH_sample_1-2_100uM Met _0 hours_1132014.d CSH_sample_2-2_100uM Met _0 hours_1132014.d CSH_sample_3-2_100uM Met _0 hours_1132014.d CSH_sample_4-2_100uM Met _0 hours_1132014.d CSH_sample_1-2_370uM Hcy _12 hours_1132014.d CSH_sample_2-2_370uM Hcy _12 hours_1132014.d CSH_sample_3-2_370uM Hcy _12 hours_1132014.d CSH_sample_4-2_370uM Hcy _12 hours_1132014.d CSH_sample_1-2_370uM Hcy _24 hours_1132014.d CSH_sample_2-2_370uM Hcy _24 hours_1132014.d CSH_sample_3-2_370uM Hcy _24 hours_1132014.d CSH_sample_4-2_370uM Hcy _24 hours_1132014.d CSH_sample_1-2_370uM Hcy _2 hours_1132014.d CSH_sample_2-2_370uM Hcy _2 hours_1132014.d CSH_sample_3-2_370uM Hcy _2 hours_1132014.d CSH_sample_4-2_370uM Hcy _2 hours_1132014.d CSH_sample_1-2_370uM Hcy _48 hours_1132014.d CSH_sample_2-2_370uM Hcy _48 hours_1132014.d CSH_sample_3-2_370uM Hcy _48 hours_1132014.d CSH_sample_4-2_370uM Hcy _48 hours_1132014.d CSH_sample_1-2_370uM Hcy _4 hours_1132014.d CSH_sample_2-2_370uM Hcy _4 hours_1132014.d CSH_sample_3-2_370uM Hcy _4 hours_1132014.d CSH_sample_4-2_370uM Hcy _4 hours_1132014.d CSH_sample_1-2_370uM Hcy _8 hours_1132014.d CSH_sample_2-2_370uM Hcy _8 hours_1132014.d CSH_sample_3-2_370uM Hcy _8 hours_1132014.d CSH_BioRec_Plasma_01_1132014.d CSH_BioRec_Plasma_02_1132014.d CSH_BioRec_Plasma_03_1132014.d Factors Treatment:100uM Met | Timepoint:0 hours Treatment:100uM Met | Timepoint:0 hours Treatment:100uM Met | Timepoint:0 hours Treatment:100uM Met | Timepoint:0 hours Treatment:370uM Hcy | Timepoint:12 hours Treatment:370uM Hcy | Timepoint:12 hours Treatment:370uM Hcy | Timepoint:12 hours Treatment:370uM Hcy | Timepoint:12 hours Treatment:370uM Hcy | Timepoint:24 hours Treatment:370uM Hcy | Timepoint:24 hours Treatment:370uM Hcy | Timepoint:24 hours Treatment:370uM Hcy | Timepoint:24 hours Treatment:370uM Hcy | Timepoint:2 hours Treatment:370uM Hcy | Timepoint:2 hours Treatment:370uM Hcy | Timepoint:2 hours Treatment:370uM Hcy | Timepoint:2 hours Treatment:370uM Hcy | Timepoint:48 hours Treatment:370uM Hcy | Timepoint:48 hours Treatment:370uM Hcy | Timepoint:48 hours Treatment:370uM Hcy | Timepoint:48 hours Treatment:370uM Hcy | Timepoint:4 hours Treatment:370uM Hcy | Timepoint:4 hours Treatment:370uM Hcy | Timepoint:4 hours Treatment:370uM Hcy | Timepoint:4 hours Treatment:370uM Hcy | Timepoint:8 hours Treatment:370uM Hcy | Timepoint:8 hours Treatment:370uM Hcy | Timepoint:8 hours Treatment:quality check | Timepoint:quality check Treatment:quality check | Timepoint:quality check Treatment:quality check | Timepoint:quality check 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) 920118.9375 645824.0000 1179270.5000 776070.8125 466111.0938 501795.9375 707185.4375 428076.7188 414208.7500 424817.5938 435736.6875 474235.5000 675265.4375 656515.5625 693793.9375 691539.5000 809640.6250 758737.1875 805725.8750 859989.6250 516233.9063 681229.5625 703585.6875 581715.4375 627051.0000 673897.3125 702030.6875 9361.3633 23255.2598 4859.2515 Cer (d32:1) 32206.2754 28529.3301 37310.6602 31652.0684 47837.8477 41504.0117 51383.6602 41352.8164 41837.6523 40009.6016 41175.6562 45174.5938 35804.6133 38310.3047 39560.4297 37126.9609 36200.6016 35699.6836 36029.4961 36944.9727 41067.5430 44261.3594 45909.5273 43720.9609 53793.0078 58008.8320 53132.5117 1431.7456 1340.3613 1379.5842 Cer (d34:0) 21441.5508 18826.9238 25661.9238 18825.9980 19855.7012 19704.9844 20698.6309 17058.8105 16016.8652 17598.3066 15494.8867 19099.9023 15135.4727 16568.6992 15651.7481 14917.5391 18906.0801 17041.4551 18105.6543 19296.8965 14099.9102 15950.8662 16625.2539 15052.3701 18311.2715 19100.5293 20390.9648 2528.1411 1711.5255 2829.5588 Cer (d34:1) 462449.5469 398459.9219 527562.7501 450442.5156 666584.4063 662851.2500 783779.4063 656164.5313 671054.7969 694601.2813 661275.3438 742393.1563 469766.1876 490610.3750 505762.4688 484443.4063 583497.5157 533099.0469 587100.2032 581179.6563 540203.3438 634371.8750 620409.2656 575760.4375 756816.7813 819978.1875 777562.7501 34112.7666 34860.9072 36164.8223 Cer (d34:2) 24765.2461 22700.5156 31022.0879 27068.0059 25666.6191 26938.5664 30683.1152 25164.1504 21706.8984 20998.7734 20416.3086 23458.4258 20477.5156 21475.9277 20122.4551 22689.6719 19543.4355 18821.1562 19054.8496 20476.1641 21723.2793 26254.1172 25640.6289 22564.1992 31670.3145 35392.9297 29118.4453 1826.6627 2127.6392 2191.3994 Cer (d36:1) 191051.9063 153084.0625 228123.4531 172165.5156 547206.1250 540454.3750 642994.3125 471429.1875 463265.6875 480913.0313 460176.6563 523350.4688 165533.2344 172714.0938 185140.6875 178358.0781 354541.1563 354610.8750 356970.5938 314797.5938 284679.5313 347837.0313 362697.1563 321157.0000 590528.8125 558280.3125 648621.5625 4311.2827 4676.1255 5631.0010 Cer (d38:1) 439061.7656 353694.9532 499005.3281 401880.4844 936530.2813 965720.2501 1122570.1880 931595.5938 910638.3751 918695.5000 875106.5001 1020573.6880 315708.7735 317254.2188 324781.6328 332884.6250 779367.9063 781768.6563 760889.5000 764003.1876 483623.7344 612146.2813 552052.7344 548763.1719 906459.6875 829143.4688 985928.7501 16376.7168 17433.8223 15858.9707 Cer (d39:1) 34182.2383 25814.3008 46657.8984 32061.0352 54651.4375 58132.7539 74288.0859 53446.6211 41797.8828 43283.0039 41317.2383 55369.7734 20206.9609 20448.5898 21822.5371 20547.4785 49819.2617 47063.2266 44666.1836 50856.2109 28517.2422 34765.3672 38347.8633 38026.8906 65615.4531 60437.1953 72501.8359 2416.5759 2697.0059 3006.5457 Cer (d40:1) 902911.1563 670880.6094 1051221.6880 738659.2500 1143236.7190 1141761.4690 1320563.6880 1178604.6560 1257172.0630 1328153.0630 1238820.1880 1477085.9380 483817.8281 476454.1406 493717.6719 483984.1875 1455397.4380 1426195.7500 1470416.4380 1531687.8130 629316.8594 722846.2188 785728.4063 698959.4688 1078598.9060 1069703.2500 1188187.8130 89787.4727 99311.4726 104624.4707 Cer (d40:2) 117300.9375 84233.0312 143785.6719 100690.1953 142797.6563 131319.0469 175898.1250 126845.2578 104615.1563 105784.1953 99704.7734 127614.2969 84373.6016 85795.4531 87945.7656 84257.1719 105523.1406 105316.3672 103216.9375 109332.8594 101224.1563 128358.4453 124926.8828 114485.9375 154772.3125 149487.5625 183301.2500 4707.3311 5134.0874 6835.2085 Cer (d41:1) 411055.4531 318225.1485 523626.6875 377635.9219 453650.6250 434653.4922 550892.0625 451999.5625 402545.5860 416004.9454 417613.0391 526453.1406 230301.9219 225711.5704 251554.7500 241983.7891 500576.8594 485686.7735 457543.1641 498220.8438 301030.5781 357481.5235 403367.3125 351832.5157 543645.2344 521729.3281 583072.9375 82226.5410 89030.2461 100034.6992 Cer (d42:1) 2165260.0630 1768434.1250 2594108.5630 2028593.3130 1676810.6250 1794932.1250 2176397.5630 1873099.0630 2046310.6250 2087216.8130 2019582.8750 2320515.1250 1325356.5630 1194570.6880 1314513.1560 1282800.8130 2735952.0000 2733969.5630 2701020.5000 2810168.8750 1374603.8440 1607298.9380 1662427.3130 1507205.4070 1990754.3750 1883724.7500 2119579.6880 325762.3359 358693.0391 387287.6329 Cer (d42:2) 1638281.8750 1172358.5000 1965989.1250 1298879.0000 1635320.0000 1646311.0000 2058746.7500 1635776.0000 1286046.7500 1329587.8750 1267504.0000 1507341.6250 1096450.1250 1042982.4380 1133630.7500 1088665.1250 1401750.5000 1260764.2500 1287536.3750 1369756.0000 1276996.3750 1550017.1250 1771911.0000 1562869.8750 1997825.0000 1951785.5000 2405947.5000 23328.0742 22797.7891 28154.8242 Cer (d43:1) 26779.9395 21298.3203 33732.9141 26663.4395 16653.5371 16976.3809 23661.2422 18671.6953 15122.2705 15193.1631 14543.1074 17472.0527 16093.5205 14573.0898 16581.5449 16260.4356 20254.0293 20257.7656 18447.4590 18028.4629 16135.9209 17957.4023 18770.5234 19678.3047 21792.4688 21464.9199 23643.9746 4973.2397 6129.0337 6578.1523 Cer (d44:1) 22842.0781 15123.7969 23631.8867 17863.2734 11306.6475 13271.9023 15610.0059 11565.5684 17314.9531 15957.1250 16373.8613 19785.3750 11732.1572 10062.3975 11925.6269 12061.2568 33686.2969 31413.2480 29637.5234 29921.5957 11866.6396 11831.6856 13512.8223 12219.4785 13829.2168 12007.6416 16554.9258 3001.9104 2986.3074 3222.6875 FA (18:1) 26480.4199 18574.4531 27824.4609 22272.4551 18860.8125 18325.4727 25816.3652 24207.4629 22800.9316 25699.1270 22928.3086 19218.9395 17493.3066 15435.3682 26061.2070 20143.2148 25705.5352 34058.5547 29590.3555 34020.3164 18440.0918 16052.3994 15965.9648 15071.5615 24799.1992 25322.9941 29247.7910 28416.9473 33730.2539 34670.9102 GlcCer (d34:1) 54488.2773 58304.0352 58141.3320 61206.2500 78785.8750 81182.5547 78027.5391 73367.7500 102182.5938 107158.7031 97974.7656 100824.7734 47801.4219 50212.3164 49298.6367 45624.8281 97605.4922 94096.8203 91802.5938 90059.2344 50989.1406 50280.7852 49354.5039 51265.6914 77525.2344 83462.0078 75935.6094 15992.8799 15238.5596 18740.5117 GlcCer (d38:1) 43464.8945 38974.5117 48540.9453 43542.7070 56691.8438 56716.7539 63233.3398 50820.4180 58664.9297 68435.3906 59410.3516 69633.7109 30958.0801 31685.7852 29479.7988 32178.1855 62843.7383 62837.7227 62063.8164 59179.7852 30279.1055 36058.0938 33912.2422 33483.5664 50197.3555 46520.7188 50681.5664 2085.4854 1802.9929 2108.7839 GlcCer (d40:1) 184099.4454 148833.7451 218264.7637 181591.1230 169586.8360 172791.8448 208466.3945 159073.0870 198637.9688 215707.5293 206868.6504 231218.5879 109407.2822 112521.9522 113882.4141 123471.0098 289853.7247 287287.0450 297969.4766 292239.9786 99854.7568 119993.4453 118847.5224 118177.2656 164819.5762 151415.5586 186362.1290 13749.3452 13817.3945 15048.2407 GlcCer (d41:1) 45666.1250 33243.0039 56880.3242 42957.7734 37172.1484 38135.6836 47069.9961 38404.1445 46575.4219 45967.8086 43950.4570 49548.7383 26790.0371 24644.8672 26740.0156 26096.8320 52990.0391 52440.1641 51408.5156 53986.1250 22123.6934 28995.0469 27209.5371 26444.8535 38015.4883 39288.1992 47544.2656 5780.6118 5203.0186 5575.3936 GlcCer (d42:1) 251293.4004 210298.0626 308326.2461 238109.8574 188775.0469 179738.1172 217661.8262 180327.9512 201288.4941 213991.3848 193935.3359 217309.4942 194493.3027 181864.8067 196426.4141 201408.5566 307549.1993 295593.4531 306879.3575 308935.1875 165611.7207 179362.9102 189919.6543 182532.0918 206417.2168 198264.0977 225054.7012 16780.7509 17980.4997 19346.2944 GlcCer (d42:2) 550470.3125 447991.8438 678267.1250 506614.7813 432320.5625 416292.7188 515084.8750 411092.0625 415553.5938 427051.9375 410516.4063 459348.0000 344930.5313 339407.2188 392249.0625 361773.9063 405883.4375 404427.8438 415776.8750 412645.7500 311248.8438 389884.3438 411219.3438 368788.0938 463880.8438 466283.6250 566671.8125 10235.6768 9156.2891 11004.1992 LPC (16:0) 32963.2227 24230.9648 36566.9258 29721.2148 19897.3184 18529.7266 23938.1719 15650.3125 20503.0391 19442.1797 18097.0762 24992.6074 30444.4688 27006.0820 32097.6484 30531.4004 29933.7227 32433.1250 25581.0098 26447.5176 19450.1562 25014.4277 23500.0781 23556.3555 21130.2441 25705.6113 24979.5742 752207.2500 681642.2500 826621.4375 LPC (18:1) 25230.1289 31373.8066 31065.8203 32293.2637 23444.5645 26013.5566 49060.8789 25709.2188 22951.8320 18211.8984 15830.3428 22642.5723 32373.9336 20408.0332 37398.3867 34946.4297 38800.2812 35891.4727 37512.8320 19869.7891 26044.4082 27662.9473 29302.0000 20238.2441 21526.6934 28688.1152 35175.1523 101222.9297 94267.3594 101745.0859 LPE (20:4) 33084.3477 39521.1836 45097.3633 43417.1758 31162.6094 36829.7109 52822.7930 32416.1582 30195.6992 24357.4277 21635.0176 35186.2969 38960.5391 26904.3066 41329.9102 41356.2617 62649.0469 64128.4766 57739.3828 39860.0234 35683.1953 39757.4102 36886.0156 32259.4043 36622.2969 40904.0312 48002.5586 7433.4272 7203.8442 9081.6025 LPE (22:6) 20125.9238 21060.5879 25111.2969 25322.9434 17184.8828 19821.5957 30919.6445 22087.1641 16461.5723 14942.0801 11313.0264 20752.3281 21922.5625 13980.4619 21337.8535 20714.4238 31665.6367 30413.2266 29308.8340 19312.7891 16995.2129 19898.4590 19837.1016 16057.1797 20004.3535 24836.0957 26782.9844 5056.5410 4093.0071 4209.4912 PC (30:0) 1238591.6250 1039505.6880 1334538.1250 1050164.6250 619256.6250 614037.6250 783404.8750 605310.0000 614233.2500 597890.0000 602532.7500 625057.5000 917541.8750 901824.3125 957417.5000 908811.6250 742236.9375 727875.9375 699569.6250 697970.3125 810487.3750 898541.7500 975478.4375 903837.9375 870257.0000 939573.4375 924916.2500 14928.4678 14013.5049 15355.0107 PC (32:0) 1079410.3750 952819.0625 1173068.1250 896786.2500 714375.3750 724442.3750 821880.2500 663587.4375 556226.3125 531450.8750 516454.7813 593847.0000 860420.6250 813370.6250 874842.1875 834621.5000 570617.1875 564537.8750 548714.5000 536125.7500 848049.5000 979416.0000 1062873.6250 935151.2500 951108.1250 957843.1250 1075160.6250 66752.1094 59852.1758 70453.2109 PC (32:1) 2073479.2850 1993422.8360 2359321.9140 1990725.1450 1452211.7420 1453479.4880 1768679.2850 1337313.9180 1353110.2970 1283771.3710 1295374.6680 1359886.9920 1758114.9340 1651460.6720 1725885.3010 1673699.8440 1702773.4450 1637115.5120 1591953.6290 1590232.8830 1582866.0230 1667102.6410 1757172.4920 1665120.3010 1621246.1840 1631029.1840 1729799.8010 37088.8706 36530.6204 35787.7210 PC (33:1) 460181.0625 385794.3125 515250.2188 413627.0938 291754.0313 298566.6250 391368.4688 282502.2500 298511.0625 297778.8750 285201.0938 353671.5938 320455.3438 299006.5938 321271.2813 316733.3438 435727.0000 447373.2813 447263.6563 419108.1875 284368.0000 340160.5938 360685.4688 307144.6563 335746.7813 364477.2813 377932.3750 7036.3203 6945.9077 8056.4717 PC (33:2) 60389.8242 53661.6719 72360.9375 56844.1719 30637.1680 30966.6406 39161.0273 29143.3359 21523.2031 22350.3574 23004.1113 24599.4277 43177.9375 41086.2227 44756.1328 42441.9297 25027.1113 24447.1074 23692.2344 22985.9492 33911.1875 41737.2969 44898.5195 39684.2891 38163.7578 38168.0195 41053.0898 10545.5381 10399.1494 11446.3906 PC (34:0) 162422.7813 137068.5000 185147.1719 142534.9844 133755.4219 146653.3594 158920.5625 125413.4609 124942.8750 123973.8438 116052.5391 125442.0000 132899.8594 121148.1094 128172.9063 136891.6563 141934.7031 141277.1875 141002.2031 133407.2813 125699.1250 148461.2344 147559.2813 131644.5156 158489.3750 158406.7969 179233.1406 13003.9404 11956.7471 14514.5928 PC (34:1) 4857093.5000 4550514.5000 5120089.5000 4634693.0000 4210071.0000 4292958.5000 4692880.0000 4115919.7500 4320954.5000 4241609.5000 4109911.7500 4304157.5000 4298246.0000 4320080.0000 4356197.0000 4363002.0000 4773839.5000 4750903.5000 4725323.5000 4805812.5000 4157998.0000 4453394.5000 4515386.0000 4283841.5000 4454750.0000 4453746.0000 4521223.0000 764578.4375 744031.6875 814927.6250 PC (34:2) 1650519.1080 1414298.3970 1828424.7510 1559299.8370 1029894.7250 993526.0391 1195228.5410 925028.5771 810298.9453 799448.0752 790623.2061 865636.4336 1339827.8260 1346610.3960 1418362.4620 1387834.7640 762900.2149 745404.5293 729596.9024 741637.0986 1178774.5810 1299458.3250 1409158.5440 1249366.0560 1247297.7480 1233192.0910 1277920.6260 2205054.3160 2156271.4100 2284796.9200 PC (34:4) 15022.1592 12800.7910 19067.2051 14207.8066 11156.4883 10595.9219 12482.3477 9860.8652 8859.0986 8949.8838 9281.7734 9699.8447 12923.1562 12106.2412 12851.7568 13898.2090 16285.7783 17359.9414 16701.6699 16707.8008 11108.8916 13642.3486 13922.6133 13014.5439 13280.6768 12679.6680 14386.0400 5052.2622 4095.3035 4989.5044 PC (35:2) 244195.2813 214732.1563 268939.9063 228661.2969 162768.6250 170833.9063 196175.8438 148718.4375 135852.5625 141942.1563 129718.9141 148537.8594 176605.4688 177598.7656 181159.0781 176506.6250 137249.5781 144462.0313 140136.0000 137889.6875 165010.1875 182376.9844 194793.6250 168490.7813 180913.8125 179952.0313 194939.5781 30012.4141 31441.5312 31876.9199 PC (36:1) 1361823.6330 1130913.9020 1587812.1200 1264306.6430 1194283.5490 1199916.6880 1332137.5120 1089503.6820 1296091.2710 1243580.5080 1261005.6680 1330292.0410 1095498.5630 1077998.2750 1161855.1190 1156393.7870 1946252.7830 1880566.4570 1906405.1390 1887380.1330 1067421.4960 1195412.9260 1216074.0080 1091977.8360 1307170.7170 1256072.7750 1337739.6520 144752.1768 131403.3262 150546.7051 PC (36:2) 3148063.4020 2844670.9940 3467143.7460 3007865.9760 2330741.7710 2344966.6510 2780866.3870 2224167.8050 2179368.2220 2155436.7890 2076631.2770 2249756.3050 2577038.1760 2661794.7430 2656414.3720 2572760.5920 1876999.4990 1834047.6720 1827095.4730 1910663.9840 2378138.5350 2691005.1380 2665355.6250 2552281.6030 2657467.6260 2750945.2440 2660801.4790 1217732.5350 1148635.8180 1377956.9340 PC (36:3) 469965.4512 408475.0234 557354.1016 440476.7872 347764.9649 345863.9629 418936.8809 327204.1153 283515.6602 295735.4492 284742.4278 326096.7168 321303.2656 321567.0859 328074.5488 320561.8340 226856.0977 229937.6661 228826.8165 218166.0371 317582.1113 368662.1191 378535.6544 330922.6953 426348.3985 392686.6602 411537.9805 340284.4161 326873.6856 385189.8086 PC (36:4) A 89265.9844 75912.5078 98960.0625 86464.8203 78250.6172 78732.8672 87706.8750 73156.9062 63784.4570 64518.5586 60625.0664 70232.8438 79590.1641 81377.0000 76199.3125 80219.5859 119348.4063 118770.1484 116865.6797 112449.8672 81529.6094 94388.3125 95386.7188 86217.4844 98817.6094 105597.8906 116414.4688 885219.0000 858554.5000 868968.3125 PC (36:5) 27634.8301 21651.0586 31246.9551 26960.6934 15386.0381 15086.7852 18025.5156 13590.8232 7481.3691 11887.7383 11966.7900 13936.6914 28280.4629 29431.4785 28556.1582 29167.7891 20001.7910 19447.3672 19727.0762 19183.4688 23713.8398 28980.9492 28071.6152 24634.7168 22706.0645 23239.2109 23484.3477 48076.3516 43677.8438 51937.1875 PC (37:4) 32822.7227 26979.5137 39514.6875 30369.0898 34974.7266 38401.0352 41108.8672 35358.2148 39946.7695 39377.3398 37876.6055 47051.1289 23939.2754 24424.7383 22655.4199 23078.5020 41578.5117 41559.7461 41859.5781 46923.5977 25179.1738 28202.0000 25837.8398 24760.8301 36466.0859 35087.6211 39258.9414 26889.2246 24831.1504 27747.1035 PC (38:2) 509181.2188 402886.8125 571289.9375 455355.6875 393194.7813 350865.3125 425249.5625 310333.9063 267430.8750 275368.3125 267826.2500 293932.7188 402164.8125 389568.4063 411634.4375 411715.2500 201821.1563 191527.7344 190428.0313 202225.9063 346971.4688 416613.0000 412737.5938 381356.1563 405365.1875 389662.4688 392654.9375 13026.3594 12581.8252 14946.4990 PC (38:3) 65033.0312 56726.5000 77552.0000 63718.2422 47957.9609 47048.1914 55775.4375 44653.4766 39530.2734 39807.8633 38063.0820 43033.8242 47449.2812 47762.3516 43035.4570 48250.5117 42640.1914 44981.1484 45507.9688 31459.3984 43226.7305 47866.8477 50175.4219 49904.6797 58490.1523 57061.3828 55966.3164 146754.9531 136741.7188 155989.2188 PC (38:4) 25591.4062 21385.0020 29783.1270 25158.2773 21138.6855 22114.5449 25565.8770 21990.8691 13608.5518 14321.9209 14445.1201 16975.6719 24234.2695 25737.0781 26100.8945 25650.2852 26589.7793 27948.5195 26365.7695 27655.7207 30572.2363 33393.8594 33420.1328 33039.6445 33644.2070 36787.9023 36620.6602 449368.0000 426958.9375 471477.1250 PC (38:5) 168352.8594 146607.5000 190768.8594 165674.2344 133680.4063 126898.2813 135628.1563 114165.8906 72934.3750 74909.0469 72660.1016 84430.2500 156453.2500 163222.6719 157886.5156 158382.8750 101686.0469 100504.3750 101844.0859 100362.2578 163796.8906 193300.0938 183807.9219 176454.5469 192088.4219 188235.0469 187745.5469 104893.7500 100243.5938 105344.9609 PC (38:6) 62720.4297 49305.8906 71057.8984 56566.2188 43008.2383 42561.6055 49487.7617 37649.6445 38285.0000 40065.4961 36756.4570 42111.8047 39585.5469 39008.4258 37518.2148 39618.7734 71364.1719 70929.1797 71883.2500 78564.4609 40243.1016 46123.8828 45523.2266 47668.3281 56242.4336 54493.3672 63282.1250 230151.6875 232010.7813 239090.5469 PC (40:5) 17264.9102 14067.7041 19528.1035 15115.8662 12187.3623 12199.1143 12294.1445 11249.3643 8217.3916 8365.7822 8199.1553 9125.2324 13501.0557 13237.2988 13102.8711 13762.6943 13324.6904 14015.6611 13772.8867 14205.5986 14967.3984 16940.3379 15802.2773 15131.6768 16319.8193 16948.2793 16624.0723 23192.5664 22169.3320 23270.0527 PC (40:6) 19203.7695 15820.1602 21481.1895 18307.4414 13638.2578 12675.5205 13563.5576 11847.4394 11317.8623 9833.9199 9739.4844 10645.0693 15564.6035 15224.0264 14899.6621 16235.3760 19445.2480 21195.0469 19830.7734 19009.5645 18271.5684 20804.9629 19888.0371 18650.4043 21197.3691 20594.2031 20875.5078 92115.4375 83225.1406 93603.5625 PE (34:1) B 2812890.2500 2405397.5000 3059154.7500 2591731.2500 1748402.6250 1769234.1250 2119738.0000 1630361.3750 1656798.8750 1659853.1250 1672674.7500 1845899.8750 2212284.0000 2284307.5000 2271633.2500 2326595.0000 2076605.7500 1913506.1250 1956578.8750 2066010.3750 1937984.3750 2233433.7500 2311007.5000 2168485.2500 2208984.2500 2246210.5000 2234533.5000 5630.3989 5645.6538 5383.4062 PE (34:2) B 1129877.0000 867343.7500 1299312.5000 976175.0000 653213.4375 637252.5000 855180.8750 575729.1875 461478.4688 468528.7500 471331.2188 479575.0625 806094.0625 776844.6875 809754.3125 782168.6875 381138.3750 323841.6875 311729.6563 406770.3125 646121.8125 788335.0625 891309.0000 716075.5000 797314.5625 794408.0625 824267.5000 12656.6191 12036.7939 13263.7920 PE (35:2) 113870.8594 98242.3359 126756.1953 101504.5781 87702.9688 79152.3672 99036.1328 72155.4531 69002.7422 67092.8672 69858.2891 71232.8672 94168.8672 92098.8438 94788.1250 92165.7109 64282.7695 61410.8359 60617.6445 63234.1875 81856.6094 94759.8984 107346.1406 89859.6328 100357.0859 89990.7578 99226.6562 1170.4808 1248.9535 1312.0729 PE (36:2) A 42926.0000 37182.0938 47676.5586 38588.9492 28042.8555 26963.5801 31509.3125 25547.3730 22263.6660 21880.2598 20349.1230 23190.6250 33220.3555 34665.7812 39047.4141 34646.3438 21101.3066 20892.2891 20251.8359 20482.0000 30280.5605 33951.4102 37830.7227 32073.2285 31396.1797 32273.4668 33188.1445 55835.7422 49125.7266 51905.4531 PE (36:2) B 3380976.0000 2987573.5000 3862712.5000 3231815.0000 2704327.2500 2676619.2500 3044548.2500 2391823.7500 2386980.7500 2498881.5000 2468490.2500 2598104.7500 2872596.5000 2815025.2500 2878425.0000 2830487.2500 2085457.0000 1939011.1250 1938376.8750 2095874.3750 2585331.0000 2852034.0000 2987362.5000 2623602.2500 2970547.7500 2961876.7500 2974917.7500 30056.0469 26984.2109 29836.0508 PE (36:3) B 478973.5000 375929.4375 531308.9375 406244.3750 276786.9375 292609.3438 383827.8438 245364.7344 228796.5313 232899.6875 229761.6406 265268.2813 281390.0938 275125.3750 280072.8438 279462.5625 227913.5000 217552.5938 202497.2813 220865.0000 238847.7656 296961.0938 322765.3125 270130.8750 332200.3438 339580.3125 376381.5938 7500.7822 7960.6865 8658.5400 PE (36:4) 46230.7578 36586.1289 60847.3984 45069.7266 28653.2090 25487.2598 37075.7148 22661.4473 21479.1406 18968.5977 18218.9961 21030.6406 32581.4043 29643.5293 31029.6074 31001.0469 20783.1367 18446.3184 18101.9453 21665.8066 24675.0801 32194.8789 36437.9531 28407.0352 34377.2695 37780.2148 39040.3047 9886.3135 10353.7217 9418.8066 PE (36:4) B 200628.3906 150348.5000 227354.7969 172883.1719 105233.0313 102456.0313 138865.0313 93425.8125 82644.0000 88909.0469 81073.1719 97660.4922 128844.5781 112444.2188 117781.0156 120688.7813 139422.5000 140690.1250 133678.7656 141948.5000 105593.9453 128852.1719 128671.2500 114265.4844 142629.4844 139831.6406 161007.2500 13565.6055 13313.6641 15210.9775 PE (38:1) A 116627.2109 103583.4219 140632.8594 104939.2188 92889.4219 97267.5859 116635.2656 86626.3438 104297.6641 100670.0859 98315.1484 105457.7344 85664.9922 81424.0625 84421.3516 87638.0312 163653.9219 162115.2500 159435.8125 159275.9688 85397.6484 94728.1641 97690.5703 87272.2969 104725.4609 108112.4141 108476.1875 9170.7168 8603.4824 9095.4824 PE (38:2) A 63397.4766 59832.3828 73541.0234 60709.7305 46592.6992 47937.2617 55875.0625 46098.9688 44544.5469 45144.8398 42674.8555 45222.6484 53798.5586 52286.8477 54833.6406 51254.6133 40966.5938 37849.2344 36918.1680 41402.2969 48952.6992 52780.7266 54373.5820 51170.0391 54312.7891 55492.2812 52327.7773 27018.2734 24470.0020 27968.9082 PE (38:4) B 959106.1875 828574.8125 1135890.2500 890628.6250 694143.7500 706984.0000 824579.1875 647745.6250 677544.4375 696448.5000 694933.6250 773868.1875 790389.5000 778416.6250 787531.2500 795906.3750 1030682.9380 1019227.1250 1020439.7500 1029069.1250 713228.1875 808870.3750 805930.2500 728223.1250 865173.0625 835836.3125 865607.8125 38207.0625 35028.6172 39805.0391 PE (40:2) A 84538.6484 70582.5312 98880.0156 80603.1406 65523.2344 61054.7344 71016.2969 52181.6914 52258.6719 53561.0117 51196.1875 57872.0547 67423.8516 65909.1328 67241.1484 66309.0859 56587.5078 56244.2773 55948.3438 54503.9688 58299.6562 66286.1250 67836.8984 61368.1562 69866.5156 69573.0625 71241.2891 4492.0698 3944.3608 4383.1641 PE (44:3) A 66206.5078 54420.3398 80142.7578 63958.1328 62259.2461 54512.9844 66964.0156 53179.5664 58581.9609 61944.8984 63198.6797 63866.2930 45994.2812 47933.7305 46159.8203 48147.2109 62280.5625 59309.0156 61858.2734 55222.0000 42647.0820 53770.4414 51446.3477 47183.7852 63675.1953 60721.0977 70637.3359 2300.8206 2235.3428 2565.4941 PG (34:1) 2631607.0000 2055860.3750 3008364.7500 2270808.7500 653997.8125 708884.3125 1016974.7500 608755.3750 634615.1250 601585.5625 638936.8125 771545.6250 1506779.7500 1433941.5000 1481822.2500 1611771.7500 1575741.0000 1444154.7500 1455276.0000 1527674.3750 1039318.8130 1336883.0000 1414083.3750 1114406.3750 1141077.7500 1078851.6250 1229202.8750 14526.5547 8836.6768 10559.3877 PG (34:2) 188348.7813 141471.3438 224503.5000 166416.3438 45767.5898 48300.6250 64434.5898 41352.3672 26999.0996 22228.1602 22251.6934 26128.5508 133988.9688 125002.2813 131004.3516 127211.9688 37046.5898 37440.7422 35507.4102 36718.0820 90166.7344 100718.0000 111424.2188 95925.7734 78621.6797 78443.8438 79083.1250 5455.7593 4788.8115 6564.1152 PG (36:2) 1164021.6250 862568.4375 1428245.1250 963586.2500 806454.2500 842359.8125 1154766.8750 693478.4375 696202.6875 663085.1875 651531.2500 770001.5625 708482.0625 631521.5625 644168.2500 681278.0625 755460.3125 713469.0000 724177.6250 739421.0000 577189.3750 736836.8125 845787.0000 710427.9375 883963.1875 873230.9375 1073683.1250 19614.5566 20668.5039 19826.2988 PG (36:3) 57652.7344 42499.0781 71275.0000 52157.2812 34066.8203 34911.3047 48176.0703 31923.7949 27210.3359 25923.4082 25929.0430 30852.7285 37170.3008 36148.5156 35055.9023 38110.0977 27361.6777 26448.4570 27030.4082 25578.0293 27865.2305 41038.0547 44504.6719 37884.3789 46846.0820 40946.7227 52035.1445 3296.9587 3350.9724 3482.2332 PG (40:7) 84031.0469 58273.0273 113643.1406 76482.8438 47695.8906 46225.5078 63754.0977 42881.8906 32986.4414 33245.0625 29465.3828 39450.0234 52747.0859 54826.2148 55869.2578 55783.5742 47305.7109 43734.4141 46331.9141 42486.2773 49144.8984 62846.2266 65082.2031 57576.7578 71484.2969 69258.4219 82867.1484 496.6493 619.2308 647.2612 PG (44:1) 30589.3047 24680.4551 30331.8574 25034.4609 23082.9785 22993.6504 27771.7109 23329.2852 25224.8242 26053.9980 23339.1816 25628.5527 22753.8125 23471.9297 23377.4375 23124.9414 22143.7598 19988.0312 20356.0371 21436.5645 20576.2695 24038.0664 23473.4199 24319.7168 24528.7422 25113.0762 27634.1113 10891.7578 10646.9336 13150.1973 PI (32:0) (16:0/16:0) 499771.6250 304239.9375 617387.8125 363901.3125 248654.9219 289477.8438 464595.7813 216491.2500 284941.6875 266104.4063 279025.1563 388203.6563 129920.5078 97856.3594 126235.6641 143234.1406 501046.3125 474091.0938 487865.3125 469846.2500 99258.8594 147230.6875 177905.3594 135049.5000 182369.5781 150970.7344 249383.6719 1680.0431 1341.6947 1772.6577 PI (32:1) 532767.3750 414016.1875 603697.8750 416450.6563 213505.2656 215402.5156 272076.4688 199619.8281 184429.6719 171589.5000 177371.7656 215014.2344 273555.9063 250864.1250 280621.2188 279823.3750 267379.0625 269032.9375 255808.4688 258278.9688 211041.0156 250940.9063 282787.4688 251775.1250 243143.7500 219021.8281 266315.5938 1970.3728 2247.7192 2419.2659 PI (34:1) 6211814.5000 5359137.5000 6797769.5000 5524703.5000 3702085.0000 4039143.7500 5136472.0000 3578270.2500 3387290.5000 3448235.5000 3474419.5000 4241516.0000 4407388.0000 3860823.5000 4386129.0000 4563379.5000 4780721.5000 4740071.0000 4675482.0000 4643080.5000 3572414.7500 4534846.0000 4955672.5000 4432566.5000 4841268.5000 4318362.0000 5224122.0000 8832.2910 8161.3750 8985.3965 PI (34:2) 1101250.6130 891652.3516 1294051.7770 956586.0977 507128.3419 509229.9063 675891.9688 452548.0957 250175.6866 252933.6299 263572.8623 295165.7657 773738.4453 745140.3359 819271.2617 797393.8633 269029.4815 275603.3574 270883.9688 268055.0576 574411.7285 696238.7266 789582.5898 715679.6602 661181.6270 557625.6836 675449.0762 24096.3594 21768.3057 23453.7781 PI (36:1) 872560.9375 646453.6250 1159192.8750 731789.3750 563475.3125 624424.5000 828922.6250 517520.0313 719801.5625 658984.5000 717840.0000 840644.3125 492185.8125 447810.9375 526023.0625 550630.2500 924856.2500 843253.2500 912919.6250 904686.7500 419948.9375 501322.5313 593651.6250 472070.7813 544036.8750 449143.1875 658651.2500 15163.2178 16154.4600 14825.2549 PI (36:2) 2833818.2500 2208002.2500 3371421.0000 2493275.0000 1577887.0000 1556600.3750 2167217.0000 1337890.3750 1061972.6250 989046.8750 1065923.8750 1190513.2500 1998834.1250 1960201.7500 2048761.1250 2156600.2500 993065.0000 1002123.6250 1053216.0000 963770.3125 1567617.3750 1983519.3750 2350913.0000 1938705.6250 2100960.0000 1623115.3750 2209108.5000 47606.3945 47025.4766 46197.7773 PI (36:3) 99276.1562 78970.0234 115805.2422 83054.8125 64317.0078 70391.3750 90149.0312 62989.5820 70929.2188 67233.5859 70576.8203 80394.4062 64796.8672 62222.1484 64097.3477 71538.6797 82009.4219 80953.5156 83077.0000 72048.1953 56187.2578 63061.6289 73663.2266 65574.3750 77465.7734 68711.5859 85211.2891 7990.6743 7312.7822 7926.7031 PI (36:4) 310911.9365 225635.9502 355439.4502 257805.5117 201657.7891 219485.8994 260547.8917 205779.7793 192441.8838 206730.2558 203173.6738 247080.8623 160284.9112 160786.0674 166689.3125 172456.2256 261543.3760 260678.6768 268523.9160 274392.0420 151308.6504 185117.5908 203822.1113 183266.1181 230566.1719 195433.4082 268349.5078 20086.0474 21155.6237 21340.2590 PI (38:3) 131201.9063 102285.6484 162088.2656 108393.5703 99291.5625 116521.3594 144889.5469 94218.7344 113155.4219 113825.0391 115340.6016 141221.2188 79450.3047 72119.3672 78185.0234 84599.3438 133622.6719 138340.3750 147391.7656 135210.2500 74845.0703 85021.1562 98226.3281 81325.6406 108177.9531 87387.1172 123458.5703 19329.5859 17898.7520 19039.1562 PI (38:4) 902904.1279 670907.8438 1117604.0090 763713.2134 700045.3799 791155.4551 927738.6963 657755.6670 730769.6035 754080.4531 734280.2129 859816.5098 482526.7374 481475.9991 480974.5801 485272.3277 916326.5244 888887.1065 927195.6084 858599.4063 459639.1069 570853.3633 614063.4414 542509.7358 792497.9121 622209.1895 921913.2871 175276.1133 163504.8633 178843.0391 PI (38:5) 867547.7500 631566.9375 996403.6875 713340.0625 576295.5000 649524.6875 751286.3750 541517.3125 352246.1250 369862.9688 354381.6875 409591.0625 531076.1875 542536.8750 533395.5625 576495.5000 261925.8594 255804.1250 271625.1563 274432.8750 514614.0625 609684.0000 684546.0625 622900.0000 720785.3750 635219.1875 814679.5000 4877.7148 5055.8398 4968.8872 PI (38:6) 49450.0195 36528.3984 55508.0586 37834.3086 25837.6836 28896.8359 31196.0938 24407.7559 21205.2773 21762.2676 23015.5234 26355.3379 24706.5391 22156.5762 24215.6133 23736.4648 39580.1836 43143.4297 41195.8008 39262.9062 22410.6602 26757.7246 28444.2754 27732.2910 33307.9258 30210.8398 34843.6523 6364.8149 6395.0708 6641.0010 PI (40:6) 36660.9219 24817.3066 52559.3750 32779.0430 29862.1504 30519.1074 44473.5039 22741.8809 21881.9766 19773.7969 20392.7051 24041.1035 15457.6748 14132.9062 15176.1777 15636.6269 29626.8984 28816.4238 29256.4141 28743.9648 13035.9414 16634.1934 19522.1602 15693.5215 22315.4727 17194.2695 25307.7109 5996.3364 6278.6914 5888.1274 plasmenyl-PC (32:0) 254809.0938 214273.3594 287920.7188 222927.7500 216214.4063 217432.9375 248264.4531 198705.5000 208160.6875 208586.3594 204596.8906 223408.4844 209580.6094 207953.8594 221530.3125 214015.3281 192824.1719 188580.5313 191080.7344 198699.7031 201716.4531 225651.5156 230356.8750 202628.1875 245003.2188 235168.7188 253711.0156 8790.6885 8714.9102 10722.4834 plasmenyl-PC (34:0) 2028991.8750 1626113.2500 2274478.0000 1788945.7500 1746984.2500 1674763.8750 1973125.2500 1462293.7500 1607038.8750 1567416.1250 1526853.0000 1717568.5000 1711999.5000 1715474.6250 1744217.2500 1699491.8750 1295937.1250 1215291.0000 1248068.5000 1299355.2500 1567290.2500 1750985.0000 1818133.3750 1589982.2500 1880034.3750 1796973.0000 1897031.7500 15799.0615 14340.8076 16480.3750 plasmenyl-PC (34:1) 158974.5469 145113.3906 177337.0625 147596.0313 127245.1719 114223.7344 142881.3906 103543.5625 109761.0938 109777.8125 108257.6641 122189.7344 127169.3828 126201.5938 132947.8438 121506.7266 79957.5234 74677.7109 74156.1719 77622.1484 105971.2734 115765.5625 137492.8750 112997.7578 124068.8359 119892.3203 125459.4844 23914.1641 24736.3066 26384.3594 plasmenyl-PC (36:0) 176488.4844 145288.7188 195020.2344 170927.9063 149437.4688 145432.4844 155577.2969 140042.2188 186277.4375 195497.9063 184595.1719 212255.2031 109793.8984 114786.0469 115727.1328 119084.3906 267146.5313 257471.6875 270924.0938 256116.1563 98813.2031 110156.5078 108133.2656 108934.1719 131057.0000 125464.1563 151729.1563 14244.6289 13534.5625 16333.9814 plasmenyl-PC (36:1) 432567.9375 363285.0938 522236.8750 389314.7813 358072.5625 360169.4375 453298.3125 310738.4063 442834.6563 422256.0313 410593.7500 437008.4063 344256.7188 342154.0938 327486.4063 327279.2500 371338.0625 358652.0938 354447.6875 378814.4063 297009.6250 321392.3438 359598.2813 300813.2500 369354.0938 360203.4688 368089.8438 6889.2720 6249.1401 7650.4326 plasmenyl-PC (36:3) 202625.6250 157556.2188 224767.5469 177034.5938 213549.0469 218025.9531 256930.3125 217405.0781 203272.0313 205460.6563 194797.2031 231831.3594 138339.9375 144615.1406 137464.5469 144883.9844 194169.7656 193855.3906 184543.5156 188459.6875 161604.1250 163901.9531 176748.7656 159343.5156 223024.6563 215668.9219 246206.4219 59935.6992 57096.0820 70398.3906 plasmenyl-PC (36:4) 49503.2070 40017.5938 53589.2578 43852.1914 56464.3633 59064.8164 61346.3398 53292.3359 44558.2148 47877.5781 44509.8320 51944.3750 34766.9648 37378.2305 34825.1211 36337.3477 63033.6719 69608.0156 64402.4297 62963.4180 42177.4414 49906.4570 51286.1328 45422.3398 61299.0117 63556.7422 70891.5391 59653.9062 54532.8125 65015.0586 plasmenyl-PC (38:0) 179248.4375 157762.7813 210452.0469 175099.5156 114997.1641 114149.6719 125621.1875 119650.3203 126785.0313 139047.0156 127054.7578 134700.0938 152842.7344 143210.4531 147874.7344 145739.0156 198305.5156 192299.0156 202554.0313 211578.3594 112418.1328 112683.3828 118074.6250 116914.6172 116681.3516 117481.4766 121878.4297 17377.1582 17545.4395 19899.1055 plasmenyl-PC (38:4) 200140.4971 164413.2862 223837.8487 178093.0830 208201.3828 213583.1172 240495.3829 200783.7520 213294.7003 208241.0674 200334.5205 240449.4726 135021.1055 130864.3423 130880.1265 132456.3701 156554.9111 160302.6592 154502.8965 169179.1133 136957.2647 159649.5508 156297.7159 148701.6582 205039.7666 207114.7823 217810.2823 50879.4409 48922.4209 48928.5356 plasmenyl-PC (40:4) 15084.3594 11367.0469 17846.4766 13114.4902 14559.0459 16204.3838 17133.0703 13846.2012 19017.9297 17921.1523 17762.9492 21121.0469 10065.2031 10209.1768 10896.5293 11581.5752 16406.1797 19128.0410 17415.6133 17641.3750 10752.0010 11042.4219 11295.8496 10756.3447 14994.1514 14898.9111 16543.1094 5963.2495 4821.9082 5685.8442 plasmenyl-PE 34:0; 46346.9961 34613.0312 49933.3438 34194.3359 37465.5508 39762.5469 42892.4805 33960.2031 35321.6797 34818.0938 35854.9570 40386.9648 28018.2109 25218.7402 25765.4570 26136.2051 36764.0469 34911.7031 35039.4727 32622.5332 24611.2461 29205.7910 31029.1230 26920.1016 37424.3516 34100.6250 42436.3242 1437.5115 1658.8900 1186.4556 plasmenyl-PE (34:1) 2494482.2500 1909699.7500 2959505.5000 2224201.0000 1981146.0000 2061563.6250 2384828.7500 1744540.5000 2501410.5000 2387184.5000 2414387.7500 2602770.0000 1880345.7500 1827505.6250 1858603.3750 1835787.8750 3055848.2500 2981742.5000 2931945.2500 3043629.0000 1732126.1250 1915783.8750 2033065.3750 1865077.7500 2135187.7500 2076896.6250 2230612.0000 5047.1357 5356.3237 5003.5371 plasmenyl-PE (34:2) 197979.6563 153947.3594 235911.6719 170659.5781 139541.5156 128947.8828 171047.1563 114763.7031 163334.7969 155038.2813 154842.4375 173299.0938 145843.2813 140734.8281 141119.7969 145275.6563 271977.2188 255059.5469 248117.8594 267635.3750 121248.0078 154955.7656 165074.0625 143182.3438 163420.4219 160226.1563 162489.8750 13960.6094 12670.2881 13859.5938 plasmenyl-PE (36:1) 494273.6563 371056.1250 619568.3125 399656.0000 396426.0938 385882.8438 465700.5000 343651.4375 481775.9375 483944.7188 511427.2500 535980.1875 377323.9688 360183.0313 359479.9375 373079.3438 778337.6875 715579.3750 742626.5000 759574.7500 326132.0000 363850.5625 401275.0000 354615.7813 408589.4688 367930.4375 418487.9063 4194.3315 4062.1863 4121.7891 plasmenyl-PE (36:2) 1057968.3750 819333.8125 1362730.7500 1000952.1250 855216.0625 841242.0000 1020269.3130 738671.2500 1054628.3750 1050133.0000 1046896.5630 1116714.8750 765372.2500 786647.7500 788281.6250 830760.9375 1187815.2500 1178260.5000 1138159.5000 1263735.8750 716821.1875 828075.6250 876362.7500 771368.5625 910701.1250 872674.3125 940451.4375 21193.8398 19130.2559 19900.3672 plasmenyl-PE (36:4) 1479792.8750 1063028.6250 1731321.5000 1306387.2500 1056187.6250 1099758.5000 1303694.7500 983968.1250 1304810.5000 1241187.8750 1279550.2500 1473190.1250 918458.8750 951302.0625 920499.2500 948030.0625 1634147.0000 1660640.2500 1617630.1250 1663015.0000 835350.0625 1031855.6880 1089448.8750 974806.1250 1217709.7500 1218501.3750 1274770.2500 55495.4375 55929.1328 56972.2852 plasmenyl-PE (36:5) 96412.1016 85404.6797 102142.7109 96325.5625 76998.0938 74026.0469 81241.3125 75583.6641 102504.8516 100881.2188 102343.2266 119017.2266 69946.0078 78081.3984 72400.7578 71506.6016 126844.1641 130393.1875 125875.3594 137742.0625 72581.1719 77103.0703 84106.3203 78912.8516 104465.6406 96044.3359 95465.1953 2431.7324 2731.0137 2885.9592 plasmenyl-PE (38:6) 1512306.2500 1041389.6250 1718268.6250 1203467.1250 911125.7500 1001563.6250 1196767.8750 881016.4375 931722.9375 1082753.8750 1014189.5630 1184556.2500 773133.6875 789256.2500 731327.1250 811781.8750 1200847.0000 1262264.3750 1146813.7500 1234698.5000 671028.2500 916129.8125 988164.2500 860179.6875 1164531.7500 1162286.6250 1247027.2500 18678.1152 19822.8398 20238.5391 plasmenyl-PE (40:5) 193371.2344 140733.1719 231817.2969 177551.8281 153792.2969 155931.9688 171377.2813 135474.6719 178354.3438 184835.3594 188609.3750 203284.1719 129386.3984 131848.4688 120540.3828 137232.4375 280596.1250 295057.7500 291521.5625 290115.2813 122275.6953 138008.0313 148443.5469 129357.8125 168164.1563 165807.6406 175382.6563 7046.0991 7960.2939 8616.8193 plasmenyl-PE (40:6) 399275.0000 246576.0625 485780.0000 324517.1563 288647.8750 288526.0938 361590.7500 235732.9375 373456.3750 409983.1563 416797.3750 462860.1563 228109.2188 246023.0625 219394.7031 231293.0313 553580.5000 553597.9375 534106.0000 600225.0625 201248.0156 260854.1563 261692.5625 240707.0156 314556.1875 322391.2500 338014.1875 17794.3145 16011.9814 18931.1855 plasmenyl-PE (40:7) 785577.7500 536788.3125 885128.5000 633305.3750 469488.5625 484597.4063 603396.1250 406155.0938 564178.3750 588713.5000 607209.8125 653518.5625 388647.5625 424635.9375 379857.1250 384523.3438 568374.1875 562428.3750 506937.5938 608276.7500 342721.0625 448198.1875 496667.7813 430332.1563 546463.1250 552155.6875 598452.5000 9579.2510 8431.3691 9331.4160 PS (36:2) 28696.8789 29250.3770 27827.1309 28529.4941 24283.0137 25606.5098 26207.2305 24098.1172 19167.8574 20240.9219 19114.3516 18187.6367 28403.4961 30272.9121 29131.0020 27877.9531 18569.5527 17185.9453 19109.8574 17672.2305 29191.5566 31611.0000 32093.9336 28785.6133 29033.2617 29941.6543 30510.4688 6364.8491 5994.8208 6104.5957 PS (39:3) 64804.9277 74330.6065 60118.3765 68672.3047 75722.9395 75773.9873 66421.4024 71781.9248 79165.2734 79058.1963 76757.9824 75379.0899 72131.4072 79709.5215 78784.1992 77537.5078 69964.2686 71870.0312 73953.3018 68306.5234 80294.6797 75807.4521 73569.0293 77700.9932 78272.7256 75809.6953 67305.0977 64666.5644 65685.7461 72260.3594 SM (d32:1) 184199.0938 144002.0156 224238.9688 164976.8438 126409.7344 119194.2734 156182.2813 110387.9531 112041.4453 108823.7656 105917.1250 123692.3750 129109.9531 122629.2891 131123.0156 131603.1094 99904.0781 97678.3438 97553.0312 94507.7891 109480.5938 131775.9688 138004.9375 120439.2969 136421.2656 135396.1563 148027.5313 46203.0469 42392.1641 52284.0703 SM (d33:1) 56400.8828 45522.1680 64091.5156 51891.0391 37222.3828 40885.2617 45796.1133 37304.5820 41300.2148 38617.4492 40210.4375 41885.1289 36278.6602 35564.6914 35597.2617 38600.0508 46375.5898 42722.9141 41792.4492 43389.9453 34808.6445 38704.5586 39947.2695 35185.7539 42229.1758 44292.6016 47347.3242 28849.7188 29036.1289 28729.7324 SM (d34:1) 1277812.2070 1015949.8750 1511187.3440 1139283.0230 879866.8594 890555.6016 1133577.5590 820019.5742 908901.6875 880971.9805 858995.7695 968647.9883 918225.1992 873159.1250 930433.5742 915473.8320 949922.0547 911513.9766 949409.2266 933233.6328 806731.3594 944002.1367 1014208.1840 823006.9258 1020035.5040 988726.4258 1109997.2420 802090.9063 795869.2539 861279.8672 SM (d36:1) 303093.9375 257257.0156 373579.3438 273304.7813 245061.1094 264392.1250 305210.9375 231450.5781 281846.6875 267485.1563 267894.7813 274854.6563 239601.8594 226615.7969 249408.7031 244946.9688 303228.2188 294121.3750 295556.8750 288149.5625 226063.7031 241694.8750 266074.1250 221571.2813 274375.5313 262208.0000 290351.0000 112586.6719 111973.8125 113418.2344 SM (d38:1) 146499.1163 126565.6358 174257.6650 142990.5835 124485.8130 127661.4092 150519.8194 121998.8628 138999.7208 135479.7246 125361.0484 143670.4512 122387.8624 110395.2480 121150.8692 124498.9824 153313.1641 159391.5606 155713.8750 148707.7481 112498.6978 117961.3101 122234.4516 111569.8613 135009.5406 130676.6797 139982.9053 78564.7090 72004.4463 74735.0757 SM (d38:2) 13951.9502 11779.1045 15923.1289 12475.9609 11671.1758 11614.6602 13076.6445 10301.3984 13199.6758 13407.4971 12006.0723 13065.0361 10572.9248 10478.8135 11168.0869 10996.3604 11546.0381 11127.7637 11647.1484 11162.3008 9746.3779 10323.7285 11045.3271 9853.4424 10517.5762 10754.9688 11709.6133 26245.2871 25297.8789 26848.6895 SM (d40:1) 219933.9180 171228.4131 249103.7442 194137.1211 173317.8379 171846.2119 203163.5879 161419.6455 193931.1523 205074.3652 201279.3164 215548.1777 169396.6758 158799.1025 170524.3916 175939.5469 314526.9903 302617.6934 306569.0391 318278.3594 151464.9952 172242.7490 177683.5293 151742.2491 183396.1934 181191.5108 198672.1914 160227.6992 152043.7129 158168.5772 SM (d40:2) 62135.5078 54875.6758 75560.0000 61135.4141 48530.4141 49306.0273 58281.3359 46983.2227 46276.8555 43552.8125 42607.2031 46235.5625 52011.3008 51566.7891 55476.4180 55499.1992 42299.3164 41500.8672 41008.3555 40023.2031 45982.7461 51919.4062 55303.2148 49266.4297 52068.5703 57834.7227 59803.5430 81549.5859 78000.1562 83063.9062 SM (d42:1) 293660.2442 231288.2070 366125.5704 269343.6035 262173.5254 276151.5449 303586.1836 249407.7139 307274.5723 295665.4678 292898.4795 324463.7715 262587.1631 245704.3067 260737.3487 261859.2461 522533.4688 513195.6426 510422.7637 508669.2324 224991.9014 254932.2930 275641.1094 244279.3994 277839.6934 268448.0859 296906.6700 116008.8755 109617.7915 115348.8193 SM (d42:2) 1012601.2150 831451.5781 1161600.1760 880473.3359 779228.7949 757032.6602 945778.9590 705352.8711 753015.7031 759334.5449 742183.9961 793191.1602 804735.5859 779967.2559 811990.7715 846536.2188 766179.7578 763283.1797 779008.5820 759666.7500 722901.9766 819866.1855 888125.5820 741800.7227 826652.5703 815597.6992 981085.4805 233307.9639 203265.0137 233372.5635 SM (d42:3) 72751.8516 63218.8281 84588.5625 64636.1406 52702.9570 53132.4375 62803.2266 48860.7461 49739.3711 51302.2812 50407.8203 51531.5273 55010.0898 55199.9180 60210.7617 60611.8594 39881.9062 42186.6055 39073.8828 39008.2695 47148.5273 55701.4766 58702.7891 50609.0273 58402.5430 56402.3828 58500.2930 125445.1641 116833.7188 137249.0625 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 775.55 5.74 Fiehn 24779551 Cer (d32:1) 554.48 5.05 Fiehn Cer (d34:0) 584.52 6.06 Fiehn Cer (d34:1) 572.48 5.73 Fiehn Cer (d34:2) 580.49 5.14 Fiehn Cer (d36:1) 610.54 6.42 Fiehn Cer (d38:1) 628.55 7.14 Fiehn Cer (d39:1) 652.59 7.48 Fiehn Cer (d40:1) 656.58 7.83 Fiehn Cer (d40:2) 664.59 7.13 Fiehn Cer (d41:1) 670.59 8.14 Fiehn Cer (d42:1) 694.64 8.45 Fiehn Cer (d42:2) 692.62 7.8 Fiehn Cer (d43:1) 708.65 8.75 Fiehn Cer (d44:1) 722.67 9.04 Fiehn FA (18:1) 281.25 3.27 Fiehn GlcCer (d34:1) 744.56 5.08 Fiehn GlcCer (d38:1) 800.63 6.44 Fiehn GlcCer (d40:1) 828.66 7.14 Fiehn GlcCer (d41:1) 842.68 7.48 Fiehn GlcCer (d42:1) 856.7 7.82 Fiehn GlcCer (d42:2) 854.68 7.11 Fiehn LPC (16:0) 540.33 1.5 Fiehn 10917802 LPC (18:1) 566.35 1.54 Fiehn 53480465 LPE (20:4) 500.28 1.16 Fiehn LPE (22:6) 524.28 1.12 Fiehn 52925132 PC (30:0) 750.53 4.87 Fiehn PC (32:0) 778.56 5.54 Fiehn PC (32:1) 776.55 4.99 Fiehn PC (33:1) 790.56 5.3 Fiehn PC (33:2) 788.54 4.77 Fiehn PC (34:0) 806.6 6.23 Fiehn PC (34:1) 804.58 5.61 Fiehn PC (34:2) 938.54 5.09 Fiehn PC (34:4) 798.53 4.43 Fiehn PC (35:2) 816.58 5.36 Fiehn PC (36:1) 968.59 6.28 Fiehn PC (36:2) 966.57 5.73 Fiehn PC (36:3) 828.58 5.19 Fiehn PC (36:4) A 826.56 5.02 Fiehn PC (36:5) 824.55 4.55 Fiehn PC (37:4) 840.61 6.06 Fiehn PC (38:2) 858.63 6.29 Fiehn PC (38:3) 856.6 5.8 Fiehn PC (38:4) 854.59 5.67 Fiehn PC (38:5) 852.58 5.07 Fiehn PC (38:6) 850.56 4.85 Fiehn PC (40:5) 880.61 5.7 Fiehn PC (40:6) 878.59 5.5 Fiehn PE (34:1) B 716.52 5.8 Fiehn PE (34:2) B 714.51 5.22 Fiehn PE (35:2) 728.53 5.54 Fiehn PE (36:2) A 742.54 5.06 Fiehn PE (36:2) B 742.54 5.87 Fiehn PE (36:3) B 740.52 5.35 Fiehn PE (36:4) 738.51 4.91 Fiehn PE (36:4) B 738.51 5.19 Fiehn PE (38:1) A 818.59 5.91 Fiehn PE (38:2) A 770.57 5.68 Fiehn PE (38:4) B 766.54 5.86 Fiehn PE (40:2) A 844.61 5.99 Fiehn PE (44:3) A 852.66 6.54 Fiehn PG (34:1) 747.52 5.11 Fiehn PG (34:2) 745.51 4.61 Fiehn PG (36:2) 773.53 4.79 Fiehn PG (36:3) 771.52 4.43 Fiehn PG (40:7) 819.52 4.18 Fiehn PG (44:1) 923.64 6.25 Fiehn PI (32:0) (16:0/16:0) 809.52 4.89 Fiehn PI (32:1) 807.5 4.38 Fiehn PI (34:1) 835.54 4.93 Fiehn PI (34:2) 901.51 4.45 Fiehn PI (36:1) 863.57 5.58 Fiehn PI (36:2) 861.55 5.01 Fiehn PI (36:3) 859.53 4.64 Fiehn PI (36:4) 925.51 4.45 Fiehn PI (38:3) 887.56 5.25 Fiehn PI (38:4) 953.54 5.01 Fiehn PI (38:5) 883.54 4.51 Fiehn PI (38:6) 881.52 4.31 Fiehn PI (40:6) 909.55 4.89 Fiehn plasmenyl-PC (32:0) 762.56 5.83 Fiehn plasmenyl-PC (34:0) 790.6 6.01 Fiehn plasmenyl-PC (34:1) 788.58 5.42 Fiehn plasmenyl-PC (36:0) 818.63 7.15 Fiehn plasmenyl-PC (36:1) 816.61 6.06 Fiehn plasmenyl-PC (36:3) 812.58 5.4 Fiehn plasmenyl-PC (36:4) 810.56 5.28 Fiehn plasmenyl-PC (38:0) 846.67 7.81 Fiehn plasmenyl-PC (38:4) 838.59 5.44 Fiehn plasmenyl-PC (40:4) 866.63 6.09 Fiehn plasmenyl-PE 34:0; 702.55 6.75 Fiehn plasmenyl-PE (34:1) 700.52 6.14 Fiehn plasmenyl-PE (34:2) 698.51 5.6 Fiehn plasmenyl-PE (36:1) 728.56 6.81 Fiehn plasmenyl-PE (36:2) 726.54 6.19 Fiehn plasmenyl-PE (36:4) 722.51 5.49 Fiehn plasmenyl-PE (36:5) 720.5 5.05 Fiehn plasmenyl-PE (38:6) 746.51 5.3 Fiehn plasmenyl-PE (40:5) 776.56 6.22 Fiehn plasmenyl-PE (40:6) 774.55 5.96 Fiehn plasmenyl-PE (40:7) 772.53 5.36 Fiehn PS (36:2) 846.55 5.53 Fiehn PS (39:3) 872.56 5.58 Fiehn SM (d32:1) 719.53 4.21 Fiehn SM (d33:1) 733.55 4.5 Fiehn SM (d34:1) 747.56 4.82 Fiehn SM (d36:1) 775.59 5.5 Fiehn SM (d38:1) 871.62 6.19 Fiehn SM (d38:2) 801.61 5.57 Fiehn SM (d40:1) 899.65 6.89 Fiehn SM (d40:2) 829.64 6.19 Fiehn SM (d42:1) 995.67 7.55 Fiehn SM (d42:2) 993.65 6.85 Fiehn SM (d42:3) 855.66 6.27 Fiehn METABOLITES_END #END