#METABOLOMICS WORKBENCH tkind_20140624_9331541_mwtab.txt DATATRACK_ID:124 STUDY_ID:ST000077 ANALYSIS_ID:AN000123 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 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 8 l/min MS:DRY_GAS_TEMP 325 MS:FRAGMENT_VOLTAGE 120 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Pos 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:RESOLUTION_SETTING Extended Dynamic Range 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-hexadecyl-2-(8Z_11Z_14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 1168162.2500 1003853.9380 1302002.1250 1114136.1250 1084817.2500 1098533.5000 1181901.1250 1014691.4380 1069928.8750 1047770.8130 1065843.5000 1117622.1250 1084228.2500 1053893.0000 1007773.3130 1025488.3750 975815.6875 915241.7500 924731.4375 998972.0000 976802.2500 1054067.2500 1064859.7500 1011052.3130 1068166.3750 1023475.1880 1064942.7500 28878.1133 25042.3867 27773.9277 1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 5859687.0000 5325655.5000 6204109.5000 5478146.0000 5545872.0000 5563000.0000 6063910.0000 5275696.5000 5250314.5000 5214431.0000 5222469.5000 5462333.0000 5409110.0000 5224389.5000 5183991.5000 5179267.0000 4611598.5000 4373055.0000 4386577.5000 4585807.0000 4966850.5000 5332570.0000 5491431.5000 5134281.5000 5465241.5000 5380698.5000 5615395.0000 70034.1094 63172.6797 68473.7109 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine 620372.2500 490439.0625 725608.0625 550629.1875 541064.3750 532808.3750 652268.8750 463548.6563 634469.8750 617756.5625 640428.2500 673721.8125 492772.5938 484902.7500 460458.4375 456895.9375 735692.8750 671341.6875 676413.6250 755119.1250 414225.9375 471724.5938 514692.7188 461663.5313 518559.1563 508355.1875 534595.0625 9093.7197 8459.7949 9151.8789 Benzyl dodecyl dimethylammonium cation 157341.7656 116826.9453 201810.6406 143489.5000 92406.0156 93811.8125 121487.9297 89772.8594 73626.2891 74952.2031 76919.6953 81691.6484 148653.5469 127382.4375 105872.8672 105389.5938 141788.5781 133762.8281 140205.8281 142580.7344 97890.0078 105899.1094 117189.1953 99741.3125 120041.2266 116799.5469 135899.1406 5424.9058 3913.1223 3183.6599 Benzyl tetradecyl dimethylammonium cation 83974.4062 64932.9531 115685.8438 78385.9922 47648.8320 49482.0078 55933.6094 44045.9570 33432.3203 35601.3945 32048.5742 34802.1172 110785.2344 74557.4453 58074.2617 56017.5664 89009.7891 86066.5391 79081.1094 80294.5000 56577.6445 56167.2930 59197.6562 60293.3359 59657.7852 59434.6797 68939.3125 6431.1675 4684.3550 3550.5598 CE (16:1) 23448.6055 24494.5527 22118.0898 25324.2383 25694.9277 24084.8594 23219.3008 23683.7305 25055.2207 25705.2305 24874.5625 24351.3887 16586.0195 13110.9092 15008.0049 15792.9375 17014.2266 17255.1895 14177.1182 17312.3535 14267.7686 16827.7617 17679.4766 15389.7031 21212.1230 22469.1738 19416.4883 21447.6973 20679.9551 23929.0977 CE (18:1) 40206.7432 42885.5098 39847.8926 41576.7627 49316.1484 45291.1992 52628.9160 45752.1309 51445.9707 61333.5137 54932.9043 56788.4785 25045.8359 24947.1201 24180.0112 24705.1172 26387.9131 25442.2881 27705.6143 29426.6211 26152.2290 24176.0938 26916.6934 25739.7754 36282.5742 35716.0586 35539.4707 43159.0400 42001.6582 45169.5244 Ceramide (d18:1/23:0) 10217.0938 8075.9199 12426.1641 8654.6709 13893.6797 13789.8965 18118.6035 12813.3887 11769.0244 12355.2646 12396.3066 13534.8008 6112.1196 5565.6201 5467.4082 6442.4375 12874.0273 10963.4346 12137.0762 12299.5947 7234.0454 8752.7812 9386.8506 9107.5820 13663.1523 11747.9014 14551.9316 2533.2368 2438.1917 2752.1484 Ceramide (d40:1) 65751.5801 47972.4785 82357.0469 52804.0703 102295.9844 114741.2656 152405.6250 105212.6875 109914.5977 118461.7617 113927.1602 137429.6406 36031.4434 33760.8916 32779.1621 33485.3691 130779.9766 112794.6914 119455.1641 121192.8359 46788.2930 54359.4805 59978.1562 52904.4082 95149.7852 91209.5195 115110.3125 4904.0183 4737.9089 5238.9312 Ceramide (d42:1) 303864.5234 236167.4336 356419.9766 252504.9688 268392.1797 294977.3712 366345.5703 266322.0821 308835.0390 308587.3867 303190.0274 348399.6172 158760.7285 143578.7988 147879.6836 154278.4258 445405.6173 398413.1953 418654.8906 416049.5157 161834.3848 195200.8711 205886.2852 179125.4492 260562.9531 251698.9062 306207.9063 37568.3564 34519.5356 36334.0767 Ceramide (d42:2) 650083.1563 478966.9220 746211.4687 497303.8594 692981.9376 725094.2344 928303.4532 659992.4376 542104.0938 545172.0626 545906.0782 635158.8282 466031.3985 431009.1797 429819.9219 430734.1329 553698.2578 492562.3593 517055.7110 524445.1875 495143.2345 619849.5703 686279.4845 581396.2188 739513.2188 727352.3438 867413.2970 11224.8235 11675.9629 12290.5908 Cholesterol 103659.7578 114853.7813 98805.0703 111024.5391 126721.5938 120820.9766 112123.6250 125278.6328 125666.1172 129040.1563 126752.5938 122246.1641 113939.1484 119613.8281 118943.1484 112077.9375 123917.8672 117540.6719 117496.5391 118976.4297 119882.7188 117672.0313 114201.9297 117143.0469 115975.6094 115811.2969 113290.2188 178539.0000 175402.9063 170228.3438 DG (34:1) 364583.2813 330717.7813 383152.0938 327390.0000 246197.3438 259666.4375 290598.0938 251780.8750 191787.4688 198168.3906 184163.6406 210096.9063 356155.2500 337219.9688 335456.9375 348997.5938 241466.7031 270379.9375 257807.8750 278031.4375 299514.1875 323062.6875 313957.4063 301825.1563 313436.2500 315204.9063 333552.1875 14332.2803 14944.1729 18485.3203 DG (36:2) 288357.8438 247623.9219 296429.6563 259396.2656 199149.8750 180890.1563 212662.2969 183610.1719 128093.4766 135162.0469 120961.4609 129185.2031 315913.4375 300535.9688 292159.9063 293379.4688 145515.3438 170744.3438 157343.3594 167696.3750 235142.4219 250882.7344 263466.0625 239812.6406 235899.9688 237827.3438 234909.2656 8580.1094 8785.6543 10970.9766 DG (36:3) 13007.2832 11255.4219 13877.1894 11105.5019 8654.9199 8395.2080 9990.7939 9882.0039 7044.7866 7852.6245 6752.0859 6979.4941 13687.3281 12321.1807 11777.7178 13229.8477 9992.4111 12290.6748 11364.1836 12093.0967 10653.8477 11520.0938 11117.4209 10058.1006 10601.9062 11957.9121 11045.7568 14715.9629 14352.9473 19238.1797 DG 38:4;DG(18:0/20:4/0:0) 38488.3945 27814.3789 48092.0898 28639.9785 24085.4980 26446.1855 34657.4258 26948.5254 20413.4238 26160.0879 24036.3379 26749.9961 26569.6348 24324.5801 21998.9297 26660.6387 32200.9004 39632.2695 35860.4805 39197.3672 19900.6328 23641.4414 26041.4102 21013.0039 27536.4570 31255.7441 33990.8047 682.3088 695.6510 712.6450 DG (38:5) 22454.5469 16797.9141 25990.4531 17350.6875 14185.1963 13586.1885 18881.6348 16084.2070 8810.2500 10306.0205 8773.4512 8985.7100 20851.2422 17616.4668 16309.7178 19734.2754 9972.3877 12803.9160 11071.3486 12584.1602 13961.4463 16540.5488 17450.9180 15927.0254 17146.6699 19473.1699 19216.6777 1872.9021 1846.3265 1716.5099 Dioctyl phthalate 620991.4375 538902.8125 687749.2500 583478.8750 597289.0000 635345.0000 686196.6875 585174.5000 590815.5000 591655.5625 592051.6250 646967.3125 507298.3125 515418.3438 508036.5938 531871.9375 683923.8750 664927.4375 673881.5000 674707.6875 548477.6250 547975.6875 559729.1875 535600.5000 605674.0625 597412.9375 633514.6250 1365195.3750 1333638.2500 1361619.7500 GlcCer (40:1) 145547.3945 100072.5850 191042.4297 122380.0537 127036.6953 138035.3535 194945.4844 122763.9453 151110.0156 155404.3984 148405.0020 182815.4082 80312.7158 67632.0879 71324.3496 73318.2060 231115.8965 198340.1094 220947.6016 223992.1993 62605.3144 78966.3447 83749.5723 69512.6426 115768.1504 110012.1680 139678.9844 5987.8779 5463.4381 5493.3892 GlcCer (42:1) 171541.3984 121879.6602 226068.8204 143785.0703 124978.1055 135821.7656 197805.1953 118089.8555 126034.7539 131440.2930 125211.2539 148971.8203 114180.6875 102389.8828 99781.5117 104929.9531 220390.2813 190239.3203 206545.5938 209279.7500 88066.1211 107555.6680 118861.4063 96882.3711 127733.4883 125453.7734 158012.3203 5095.6238 4872.6077 5240.9746 GlcCer (42:2) 427864.0313 306614.9376 547188.8594 357317.0157 335231.6250 353490.7500 502204.7813 308882.6563 300107.9063 309551.9219 297980.7344 357663.7188 259218.1328 223894.7110 221862.6172 233711.5625 335678.0000 297151.9219 307502.3125 322646.9219 194054.0859 247757.7812 274534.9219 224055.1953 324560.0001 332775.6563 407618.8906 11835.4331 10407.2922 13682.1409 Lactosylceramide (d18:1/24:1(15Z)) 51920.7422 39762.2969 57283.4609 44023.0312 29769.3877 30909.2783 39151.2881 27480.6738 24799.0664 25347.6758 25423.1279 28610.0078 33754.2881 30682.6113 29567.4522 31900.0459 30436.9902 28508.5996 29922.3760 29967.0225 26109.3916 30520.9199 33062.1582 27989.2559 33143.4121 31739.4346 38807.9336 2160.0566 2122.1400 2394.3061 LPC (16:0) 64362.0273 46028.8594 77548.1484 59113.6602 41219.4844 38052.6641 51629.8164 38218.6445 37433.6758 39281.3125 39031.1445 47683.1289 55634.2852 52387.5547 53378.5234 55693.5508 55773.7969 56783.8750 50491.7422 53251.1641 36715.5703 47893.3086 45108.1836 38686.8633 42034.3750 51783.3398 47307.2422 1528858.2500 1397267.5000 1539871.2500 LPC (18:0) 117442.6172 95224.1562 143582.1094 103582.8359 94283.0938 83552.8516 102376.8672 72754.0625 73208.1172 81342.9375 72293.5781 78346.4062 144843.1719 135202.3594 129495.5078 125591.9141 102647.1719 102734.6172 86466.9141 87330.4922 98370.1875 118889.8047 106041.2109 91174.0781 98442.7188 106445.3984 102575.1797 624393.9375 591661.0625 607516.9375 LPC (18:1) 46884.8398 57831.7852 58493.8711 59602.3398 48140.0898 57462.4453 97154.8750 54598.1641 43102.9570 41168.0156 29943.5781 44134.3906 65065.0156 38297.4570 71199.4141 65085.0469 71423.6094 68080.3359 68940.3828 39068.6562 49969.1250 56746.0820 59031.5703 42550.6680 45711.9805 55076.1602 71887.6562 223480.9531 205490.1563 215774.1406 N-(15Z-tetracosenoyl)-1-.beta.-galactosyl-sphing-4-enine 160183.2969 104055.3594 219696.0000 122003.3516 85488.3281 94012.2344 144613.9688 75906.1094 61375.3320 63567.9961 59487.1211 69344.7500 116905.7422 93602.8281 98511.7969 103256.3047 50090.8906 45557.6875 48141.7422 47768.9062 81046.3750 103489.5156 115192.0000 93198.2969 103810.2188 98005.1953 123153.2813 1416.5538 1290.9170 1389.9869 N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholine 2592225.0000 2095705.8750 2916559.0000 2261224.7500 2053644.3750 2133913.7500 2623636.0000 1931046.2500 2029153.1250 2011634.6250 1985553.7500 2216366.5000 2146442.0000 1988044.0000 1969713.5000 1986619.2500 2188608.5000 2061005.5000 2093727.7500 2134402.2500 1783263.0000 2024787.2500 2189569.5000 1883362.8750 2111879.7500 2088374.2500 2362018.7500 446658.5938 402393.7188 435069.5313 PC (18:1/16:0) 9350445.0000 9070014.0000 9480182.0000 9144916.0000 9048870.0000 9056442.0000 9344580.0000 8938014.0000 8888175.0000 8910869.0000 8887037.0000 9079385.0000 9004090.0000 8879671.0000 8866904.0000 8899274.0000 9523265.0000 9459846.0000 9453784.0000 9458738.0000 8721796.0000 8941614.0000 8985612.0000 8801715.0000 8975687.0000 8956364.0000 9094280.0000 2534419.0000 2366241.2500 2475492.2500 PC (28:0) 1002439.4380 808857.4375 1212260.0000 883135.1250 589813.8125 563283.5625 772525.6250 537748.6250 596649.3125 599041.0625 602450.5625 665560.3750 835314.0625 766685.5000 765500.4375 783402.4375 1001877.1250 896415.6250 914859.1875 997207.3750 627007.8125 728583.4375 758856.5625 658216.8125 645872.1250 646415.1875 690942.5000 3191.3750 3368.7930 3110.6672 PC (30:0) 6145922.0000 5696996.0000 6376565.0000 5764913.5000 5210395.5000 5165383.0000 5707758.5000 5019356.5000 4674043.5000 4710376.0000 4686633.0000 4877612.0000 5659064.5000 5427897.5000 5475045.5000 5441042.5000 5158884.5000 4940180.5000 4982930.5000 5007721.0000 5153648.0000 5484618.5000 5631181.0000 5323322.5000 5374737.5000 5362847.0000 5598004.5000 68159.6562 61518.4570 67874.1250 PC (30:1) 1408867.5000 1146637.1250 1660202.5000 1224691.0000 678349.0000 626697.8750 862616.2500 582862.6875 478242.6250 488713.1875 491292.2188 538577.9375 1136574.3750 1045670.0000 1043180.7500 1066333.0000 759993.5625 687365.7500 682953.1875 732277.0000 803283.2500 947924.1250 1018542.1250 877856.3750 795198.8750 789289.4375 854077.2500 4319.1069 4105.2588 4278.1953 PC (32:0) 478124.6250 518962.9063 431618.2500 479839.0938 482828.4688 481925.2188 454543.8125 475530.3438 390660.1250 395400.0000 382813.1875 371091.8438 525679.7500 514773.8438 526761.3125 523507.0625 398248.1563 392615.8125 380392.1250 370176.6563 530338.5625 533234.3750 536614.4375 529512.1250 495168.4688 508083.0313 502378.0938 25829.3105 22927.4492 27418.2129 PC (32:1) 7673116.5000 7264790.0000 7885614.5000 7366680.0000 6651902.0000 6511166.5000 7130657.5000 6368353.0000 5909923.5000 5949240.5000 5946163.0000 6184965.5000 7155284.0000 6959220.5000 6922689.5000 6956057.0000 6814799.5000 6589774.0000 6621617.0000 6717265.5000 6553544.0000 6918958.0000 7041155.5000 6756160.5000 6768678.5000 6807424.0000 6956988.0000 166918.9531 152291.2656 169957.8281 PC (32:1)_1 924863.8750 1016008.4380 877765.0625 989797.1250 1062998.0000 1022590.1250 990352.0000 1046594.3130 1054284.6250 1058636.1250 1056822.6250 1026480.7500 1020646.4380 1025415.9380 1039371.0000 1006275.4380 1073530.0000 1083667.7500 1071139.0000 1074774.1250 1044168.5000 1007384.0000 984710.9375 1023501.3750 981144.1250 1031684.1250 960757.5625 22865.3887 19345.4316 25082.3652 PC (32:2) 1273170.1250 1018891.6880 1481285.3750 1085326.7500 533552.6875 491122.9063 671023.0625 460327.0938 265509.2500 275647.4063 271811.0000 309580.5313 966919.8125 877828.1250 877194.0000 893409.5000 358195.1250 330359.7188 322993.0000 351188.6875 658070.0000 784473.8750 856218.2500 739709.3125 655224.6875 651596.5625 702686.9375 40209.3398 37540.8008 39181.8242 PC (32:3) 1006236.9380 997349.8125 978089.1875 979221.4375 984689.9375 959161.0625 986487.6875 944224.2500 864527.1875 876177.3750 860676.5000 893421.8750 1021295.8750 992503.5000 1002961.1880 1007858.4380 926038.6250 895348.6875 885925.3750 909158.9375 948755.8750 982199.1875 989941.8750 954542.8750 952629.4375 950364.0625 975000.8125 9448.1328 8236.5166 10078.9473 PC (33:1) 1682808.3750 1435325.3750 1864260.8750 1522763.0000 1289264.1250 1295628.2500 1551374.7500 1233549.7500 1227372.7500 1245248.2500 1219681.7500 1356561.1250 1286299.7500 1167819.0000 1178555.0000 1205270.0000 1788454.8750 1715541.6250 1735225.2500 1749199.1250 1104560.1250 1257365.0000 1292827.2500 1178954.7500 1316142.0000 1311984.1250 1419068.7500 29883.5742 27801.4395 28663.7539 PC (33:2) 283686.5313 219896.4531 350432.9063 252150.1250 146144.8594 138765.2031 189247.9844 128238.4219 83202.8125 86864.9766 85612.6250 96358.5625 194863.0156 177515.5156 170452.8438 177677.4531 100221.5234 91663.0469 95111.3047 95973.6484 146180.2500 175979.1563 191805.4688 162078.0000 169660.9531 169651.0156 184587.4531 39245.7617 35794.6914 38404.8203 PC (34:2) 5463790.5000 4994796.0000 5805328.0000 5184529.5000 4306509.5000 4143328.5000 4739402.5000 3908447.5000 3153512.2500 3198852.5000 3165154.7500 3363209.0000 4936311.0000 4741851.5000 4707692.0000 4711821.5000 3117646.2500 2940990.2500 2964666.0000 3048220.5000 4252936.5000 4639740.0000 4759362.0000 4476924.0000 4455897.5000 4453916.5000 4599578.5000 5484052.5000 5255246.0000 5455966.0000 PC (34:3) 294028.7500 231442.0469 364649.7813 259832.3750 179426.7031 170777.5938 225410.7344 157696.1719 136703.8750 140327.8125 133628.1563 133651.6250 207171.0625 192179.2031 189757.7344 196165.0469 142042.4531 139660.8125 138506.9219 145562.2188 166144.2188 199571.9531 208284.7031 188218.2813 203648.4688 210583.7031 224578.3438 79422.6094 75642.2656 78367.6016 PC (35:2) 1176712.1250 1009884.8750 1308547.6250 1072834.8750 860664.3125 846532.4375 1007290.1880 795081.4375 696734.5000 705337.3750 685993.3750 757471.7500 879598.9375 834830.8750 827964.0000 837588.5000 736388.7500 708678.8125 726447.3125 726505.7500 760141.1250 856864.3125 884426.5000 817547.0000 876001.6875 871069.9375 926840.0625 110600.5156 100160.5469 107759.2344 PC (35:3) 58752.8828 53950.2812 65505.1602 60942.2188 53765.1680 53795.2773 60100.5625 50455.5039 39700.5742 42565.6445 39477.6250 45637.7109 45360.5977 41548.1836 41374.6211 42209.8086 32733.0215 35409.3672 35279.4023 33616.2070 44772.8711 47899.5117 46242.3711 45634.6172 53562.0156 52950.2695 55183.4414 15177.6123 13491.8174 14012.0195 PC (36:1) 4452224.5000 3887479.2500 4850329.0000 4158301.0000 4132100.2500 4249511.5000 4633854.0000 3982120.2500 4230262.5000 4186408.7500 4186223.5000 4488332.5000 3935677.2500 3691577.5000 3661813.0000 3746067.2500 5693592.5000 5513567.5000 5565861.5000 5632497.5000 3607802.2500 3925525.5000 4035317.2500 3759993.7500 4186278.2500 4098662.2500 4401605.0000 487039.2188 446061.3125 466061.5938 PC (36:2) 8231511.8750 7982257.0000 8442739.8750 8108937.5000 7826055.1250 7722634.0630 8068657.8130 7570094.2500 7203228.5630 7204912.6250 7170261.0630 7311690.8130 7894890.0000 7788162.7500 7758818.1880 7704798.6880 6675343.5000 6571651.2500 6581543.6880 6614011.5630 7494380.3750 7732096.4380 7822444.0630 7648945.1250 7731544.8750 7728628.8750 7764831.4380 4459552.0630 4201691.6250 4356180.0000 PC (36:3) A 2145681.2500 1838654.0000 2450773.0000 1981355.0000 1752136.0000 1677433.3750 2028278.1250 1591459.6250 1281057.0000 1321635.7500 1274790.7500 1436349.8750 1551792.1250 1485024.6250 1447500.6250 1474912.1250 1051669.2500 1015226.1880 1054868.8750 1031293.0630 1411073.7500 1637177.1250 1647772.3750 1546974.8750 1800864.1250 1768053.6250 1872790.0000 1168211.6250 1080458.8750 1159083.2500 PC (36:4) 38353.3906 38715.0430 36582.1797 40262.6250 59115.7578 60503.9141 53332.5234 60408.6680 56432.9102 55400.6328 54667.5820 58044.4883 44835.0469 47132.1992 45437.0000 45884.0586 86836.2969 90161.5938 87957.5078 85152.1484 55878.1562 55214.6914 49683.5000 55165.3008 58828.2734 62171.2930 62899.3242 660658.0625 617261.3750 645757.3125 PC (36:5) 131008.7656 101779.7031 166276.7344 118809.0781 70158.3359 64596.4336 86093.5234 61036.7695 35196.0430 36985.6094 35993.7695 41965.9219 135364.5156 128099.7891 119727.6641 128460.3281 68272.3750 66063.7812 63881.4648 67364.1328 99948.1328 125315.6406 122545.7188 115986.5000 105390.9219 106357.8828 114761.7188 156002.5313 141022.9531 151695.0156 PC (36:5) C 603229.7500 657715.5625 565884.8750 648983.0625 677253.1250 662117.7500 649313.8125 648138.8125 601813.5000 606305.9375 606511.5625 623943.8125 680463.4375 688192.8125 678720.2500 674942.9375 595407.1875 586607.8125 589029.3125 586918.6875 664873.3125 642362.3125 639285.6250 653305.9375 618298.8750 624846.3125 599860.3125 1115017.8750 1080528.3750 1069922.8750 PC (36:6) A 20095.5117 16029.6660 25011.0020 17662.9395 13759.6055 13416.6104 16333.4404 12716.0586 12694.9219 12803.4727 12826.3144 14374.1455 14447.0019 14260.7920 14215.0811 14874.1396 27372.7852 25907.0273 26642.4961 28657.2344 13246.8066 15474.7481 14690.6201 14456.7168 15623.3408 17405.2227 17325.7129 4564.5938 4606.0054 4726.2256 PC (37:2) 413444.9375 367853.7813 454697.7813 382879.7813 324838.5000 318721.3750 372741.0938 301929.9375 275646.6250 284455.9063 277855.6563 297865.0313 337434.5000 323953.8125 312542.3438 316267.5313 324216.0625 306553.0938 313894.7813 306835.4375 289044.9375 328778.3750 336939.8125 305653.5000 331377.1875 331014.0313 339728.3750 14407.9551 12493.0088 13949.5693 PC (37:3) 82568.7656 93135.7969 94897.3750 75452.0703 66807.8281 63515.6172 78913.6953 59507.8945 50917.2969 51436.4414 87297.3594 98966.2422 57211.5625 56267.6484 52902.1680 55688.9023 97548.0625 46924.3242 46311.0938 46400.2773 52172.6406 59643.8008 61752.3516 57343.5938 66714.1562 67796.1875 72861.3203 19574.3496 18327.5430 20058.5664 PC (38:2) 2095279.1250 1824117.5000 2338080.7500 1929037.3750 1683676.0000 1648790.6250 1933292.1250 1519537.5000 1309158.6250 1299288.7500 1294152.8750 1367532.5000 1813072.2500 1711340.0000 1693031.0000 1688149.1250 1002712.0630 951181.3750 956413.8750 1002410.5000 1523958.1250 1712334.2500 1797016.1250 1647743.2500 1720400.6250 1698117.1250 1757247.7500 47709.9102 44167.5078 45757.8047 PC (38:3) 508228.3555 448822.5664 568812.2773 476763.0001 420878.9532 413551.3907 474990.4571 390882.6641 313431.5703 324526.5117 318824.2266 344741.0117 396814.5547 378321.7227 371781.9571 376221.5898 265356.9493 262882.4454 260183.4531 259316.3204 358249.8359 398981.2696 412509.1485 381502.4922 435004.3321 428992.9492 452463.7813 601872.0078 538914.8867 587927.5001 PC (38:5) A 969288.4375 816769.4375 1104536.0000 894866.9375 753656.6875 719087.0000 838318.3125 698452.3750 409120.2188 429401.2813 411278.3750 469927.8438 870127.1250 869164.5000 816727.8125 855642.7500 566041.1250 560575.4375 551569.0625 563051.0625 868197.0000 994546.4375 964420.1250 942008.0625 962498.3125 968770.7500 1019283.5630 429688.0625 396057.6875 421569.2188 PC (38:6) 54456.1797 48346.5312 61214.6836 50818.5820 49704.9297 50253.3398 54896.9805 49292.6758 43947.6836 46301.2578 47119.8477 50806.8008 42250.9219 42316.2070 38390.9141 41568.8438 82612.1250 83679.9453 82418.7266 82883.8828 42404.2969 48530.5195 48648.2539 46620.4883 55264.8984 55887.6680 59633.9688 167833.5625 160479.2500 189314.6406 PC (38:6) B 358000.7188 360224.4063 365934.4375 367615.3750 367772.1875 355278.4375 375272.7813 353943.9063 298272.5313 300317.5625 296579.0313 318763.6563 321050.0938 317721.7813 314996.5938 313754.7813 236102.0469 227609.4531 232911.2656 227231.4531 312159.6875 340696.0313 333260.7500 333871.8750 361632.0938 352172.5938 354954.7188 191712.7344 178113.5156 201048.3125 PC (38:7) 47375.5273 35199.9531 57234.6875 43373.8047 26335.4219 24242.9727 30474.4785 22543.0781 12351.4609 12975.3877 12067.5381 14154.3525 44846.3672 43341.6641 40004.4492 43297.0898 20043.1094 19185.0723 18112.4355 19818.8926 32831.6523 41955.4844 39483.5859 37886.4023 35345.2812 34441.5859 37607.7734 5826.2690 5347.4248 5485.0098 PC (40:1) 97961.5859 74230.8984 110955.9922 77162.4141 49775.0273 51767.4023 67594.1484 44943.0000 29491.3828 29031.0098 29014.7773 32190.0605 89126.0625 81438.2969 77324.4375 81696.8359 27382.8672 24063.6699 25030.7266 24827.3535 65781.4219 77828.2969 81513.9609 70821.2031 65128.8906 66255.4375 73494.0312 998.4160 1098.0007 1096.0608 PC (40:3) 42534.5078 34333.5117 48925.7422 37013.6914 29905.7637 30368.0801 35925.1914 27871.5508 21631.8906 20793.9395 21569.6621 23186.7500 32185.9922 30810.6953 28420.6406 29177.3770 18086.3809 16855.6816 17488.3340 17334.8516 27080.4863 31059.6445 32715.9375 29323.1074 33425.5156 33183.5625 35927.7227 2070.8113 2003.4728 2059.1304 PC (40:5) A 97643.3359 106708.1406 141587.9219 113981.3906 83373.4922 79328.9766 91371.8125 77620.8203 51278.5898 51908.3164 49994.5742 55141.1484 90330.3594 89971.3516 83750.2734 84329.0859 91251.7031 86412.4375 88291.4297 89493.1797 88699.0859 100450.4453 100100.1016 96813.7578 107011.7266 105624.8125 111873.0938 114285.6875 104843.1563 109636.4844 PC (40:6) A 488961.9053 404275.9365 555710.2070 446107.5586 279931.2110 256894.7334 298798.1738 245460.9756 132842.9561 140707.8379 135065.4961 149246.1416 330844.3496 331403.7520 302550.3555 312030.3897 145692.3906 144327.1386 140613.4023 145126.5664 312456.2637 375599.4551 362878.2852 354191.1661 371982.5527 365337.1602 378081.2031 56083.8799 50299.3633 59816.1152 PC (40:7) 582478.7500 523037.4375 654520.1875 549863.5625 510735.4063 482696.5625 510193.5313 468240.1563 255547.4063 273722.9688 262119.9688 291468.8750 547161.8125 573258.6875 534345.9375 540620.4375 273470.1563 277966.3125 268195.0313 286572.1875 566541.6875 656980.6875 590132.1250 620928.4375 622235.0000 621985.6875 619903.2500 80554.6328 74925.3750 78535.2969 PC (40:8) 26566.9121 19799.5918 32671.6699 22918.2773 14548.1807 11917.3213 16890.3477 11081.2783 4142.2437 4281.9688 3904.2073 4493.0962 69285.1719 70579.1094 63377.3203 64906.1328 4797.2939 5059.9321 4327.5410 4423.2993 58148.4023 71204.3516 60861.9258 59111.3086 33045.1055 34955.9141 43270.7773 11241.2812 10720.2666 11508.3281 PC (42:10) 12472.7188 9055.9180 15392.1982 9777.9844 7421.9702 5635.0186 8586.2090 5640.0161 1558.9448 2333.7524 1710.8478 1843.0750 38020.3633 37330.1719 32333.7266 33425.8359 2794.0376 3039.4026 2868.7146 3055.7395 29871.0000 37071.7031 33359.8438 32056.0684 15966.5195 19227.1621 23192.7305 3630.0542 3018.8738 3047.8625 PC (42:5) 11822.2471 9461.7217 12872.2852 10034.2451 7285.1440 7456.2319 8839.5469 7059.4077 4642.8691 4985.7192 17320.1270 5219.7891 9150.3057 9262.5713 8020.3735 8448.7627 7407.6362 11768.6553 13302.3604 7485.3271 7883.9248 8669.5186 9416.9404 8508.0801 9331.9307 8836.6562 9538.8027 2392.0002 2108.3315 2604.8394 PC (42:6) 22475.7656 20177.4805 25716.5078 20533.3496 14194.8340 14181.3701 15787.1865 13161.1641 8786.3438 8830.1680 8735.7529 8598.0830 17528.7285 16399.4688 15440.3486 15621.6299 9519.8535 9608.7676 9009.2080 9571.7656 14794.6328 17209.7402 17129.5605 16399.6133 16846.5020 16619.4492 16690.7793 1661.0116 1727.5504 1964.5525 PC-O (32:0) (plasmanyl/plasmenyl) 3169389.2500 2802638.7500 3240729.5000 2782015.7500 2638438.2500 2630623.2500 2963206.5000 2475956.5000 2107651.2500 2102467.0000 2068669.6250 2187245.0000 2933546.2500 2782855.5000 2787344.7500 2784510.0000 1482027.3750 1344120.7500 1346056.2500 1439243.5000 2612695.7500 2855516.7500 2975294.7500 2740160.7500 2735861.2500 2727099.0000 2927474.7500 35509.3906 33239.8281 36669.6289 PC-O (34:0) (plasmanyl/plasmenyl) 808264.0000 649011.7500 911646.7500 662018.9375 651592.0000 690113.1250 834882.7500 616472.6250 539063.0625 544909.6875 525628.1250 585739.9375 680716.3125 614930.3125 610733.8750 630014.5000 439903.3125 392808.1250 398888.8125 433579.9688 575749.8125 658020.0625 718050.3125 613260.8125 687909.9375 681181.1875 788095.1250 5567.1851 5400.3369 5615.4961 PC-O (34:2) (plasmanyl/plasmenyl) A 789727.0625 663262.5625 890326.9375 706231.6250 661646.5000 623458.5000 769677.8750 570839.9375 588013.0000 577707.7500 596140.1875 632083.9375 653152.6250 629851.5625 615085.8750 597399.3125 538725.8125 506080.7188 512077.8125 537336.0000 543031.3750 610647.6250 656807.5000 582826.3750 621463.3750 620873.8125 643336.8125 101662.4609 90007.4219 98462.0781 PC-O (36:2) (plasmanyl/plasmenyl) 1879046.7500 1592485.0000 2120971.7500 1705909.1250 1706380.8750 1663991.2500 1993353.1250 1546236.1250 1818887.5000 1820657.2500 1824222.7500 1970713.6250 1594337.8750 1518527.8750 1491903.5000 1504063.8750 1676961.6250 1554524.8750 1583348.6250 1674734.8750 1344581.5000 1506548.7500 1594635.1250 1443103.6250 1596279.6250 1558947.0000 1661872.6250 30875.1875 26361.2109 28666.4609 PC-O (36:3) (plasmanyl/plasmenyl) 148762.9375 149467.6563 157633.7969 137600.7188 1084817.2500 174638.7188 180217.8750 163528.4063 187181.7500 201347.2656 204452.7969 213973.7969 152247.8750 123266.2891 122348.0547 180518.7969 181431.1406 178832.2813 175982.1719 183392.8594 169987.6563 126929.2891 130737.9531 121386.9375 149055.7500 190389.7500 1064942.7500 43614.6406 40003.0859 42598.9609 PC-O (36:4) (plasmanyl/plasmenyl) 855806.2500 699489.4375 954846.1875 756808.7500 992471.8125 1041105.6880 1165543.8750 983617.3125 898616.3125 918159.5000 906981.0000 1027677.0000 682997.7500 662990.8750 631901.3125 661114.0625 845888.3750 830654.6250 818458.0000 874958.9375 670980.3125 752675.4375 753204.8750 702804.3125 959955.1875 933707.4375 1055288.5000 232236.5781 212087.5625 223551.1406 PC-O (36:5) (plasmanyl/plasmenyl) 462312.6250 359378.0938 543664.3750 409917.3125 425887.2188 428716.5000 494536.2188 400303.9063 302797.0313 314134.8438 307959.7500 342917.5625 338412.2188 327742.7500 301052.3438 312185.5000 412656.3125 411810.1250 409239.9375 423190.3750 323563.9063 384585.2188 392757.8750 361595.5000 468007.9688 451619.2813 495820.4688 221145.4688 206774.9688 217217.2656 PC-O (38:5) (plasmanyl/plasmenyl) A 947724.6250 760467.0000 1092500.3750 853829.2500 1059022.3750 1082352.2500 1201358.3750 995479.8125 975818.0625 1014187.5000 987327.6250 1116988.1250 675341.5625 657872.0625 615047.0625 638181.4375 795761.9375 783434.4375 769272.8125 812500.8125 658035.3750 766369.5000 764229.5000 718546.6875 962235.1875 950090.1875 1042887.3130 189342.7656 172485.9688 186199.4688 PC-O (38:5) (plasmanyl/plasmenyl) B 330702.0313 303863.8438 350236.3750 317398.3438 321319.0625 314437.2188 346492.2813 298679.7188 348112.5000 346124.3438 348163.9375 358857.4063 300326.7188 289935.9063 284578.0313 288309.2813 322355.9688 307896.6563 310884.9375 322157.4375 260155.3906 289611.1250 302166.6250 284407.2188 295339.9375 293841.2500 301196.5938 45791.4375 43167.9258 46800.3867 PC-O (38:6) (plasmanyl/plasmenyl) 419443.9688 327732.2500 475456.2813 372948.1250 492491.0625 533006.5000 561262.1875 495596.6875 497077.0938 518993.0313 505157.7188 571345.5000 286835.1563 283812.6250 256437.3125 270279.6250 477614.0625 456303.9688 449589.8750 503929.6563 291357.3125 342659.2813 344496.6250 321228.5938 461250.8438 446073.4688 500292.5938 46346.9258 41451.8320 45807.7656 PC-O (40:5) (plasmanyl/plasmenyl) 92718.7969 74668.1484 103519.0547 83837.9922 96183.9844 106574.3594 115714.0703 94886.1562 109606.2969 109341.5234 105829.4375 121321.5000 63871.4219 60969.8945 59099.0156 60880.2109 110108.2422 106336.3047 103709.9453 115046.6094 61286.9727 69415.6719 72992.5703 64878.8125 91070.4844 86471.5469 100222.9297 19247.4141 19055.4141 19065.3672 PC-O (40:7) (plasmanyl/plasmenyl) A 219345.3125 176179.4844 258685.2188 208716.9844 275901.8438 279185.5625 292971.7813 257172.6875 280154.9063 297564.7813 289022.4688 322404.6250 116940.3281 121895.1719 111144.3203 111240.8672 200239.0156 197181.8594 189538.5781 211181.2344 119481.8438 141509.7656 145919.3594 137165.3906 219299.9375 216263.3750 225475.1094 18057.8906 16393.5938 17441.7637 PC-O (40:7) (plasmanyl/plasmenyl) B 67239.7422 55982.3164 77567.2109 60805.8477 69948.1172 70663.7969 73683.3672 65553.7734 65650.7266 63640.5859 62871.2578 66751.5938 46536.5664 46988.6016 41944.6992 42935.1992 59149.0273 59750.2734 57089.6797 59740.5586 50217.6680 53888.9961 54050.6719 51922.5664 71354.8516 64588.1562 70424.9297 10032.5000 9341.6377 10561.2959 PC-O (40:8) (plasmanyl/plasmenyl) 172425.7656 162099.5781 178646.6563 172431.0469 224277.0313 222746.8594 221947.2031 217722.0625 208423.4375 217819.3281 210561.4844 228829.2344 147307.6719 142817.3438 139546.9844 139608.3125 166102.7813 168600.5156 164661.4844 171622.8438 147761.9219 164808.5156 160359.9844 159450.2656 193764.0938 194751.6563 204110.1094 23277.3203 21695.4863 25712.9082 PC-O (42:5) (plasmanyl/plasmenyl) 48631.2656 37965.5039 58508.1562 40451.5508 40722.0273 43520.6875 54500.2109 39147.6133 38757.1094 39551.6719 37218.2305 43641.8789 30105.1816 27214.1797 25568.9180 26904.8535 36108.9805 33317.2656 33232.6328 36244.1719 25407.2969 30493.0059 32642.1797 28711.0234 41374.8477 40760.8555 46323.7148 14162.0381 12906.1973 14631.0537 PC-O (44:5) (plasmanyl/plasmenyl) 47926.1523 35247.2500 54350.7930 39078.2383 43283.2461 45572.4492 52007.7969 42548.7031 36887.8906 39341.4883 36869.9102 42600.4688 29538.7539 28601.0039 26180.6504 26574.7832 29186.1523 26805.6016 26319.6602 27984.0410 26180.6680 31591.5391 34340.0273 29690.3750 42234.4922 42185.3359 47273.5117 16757.0742 15980.8643 15993.1924 PE-O (36:5) (plasmanyl/plasmenyl) 716016.3750 546228.8125 831013.3125 608004.0625 575944.5625 580603.5000 692791.8125 546728.4375 655499.8125 682475.2500 679288.1250 738171.1875 474434.7500 476314.5938 433952.1563 456634.0313 851843.6250 848267.9375 826315.3125 872572.1250 424861.7500 495637.7188 529145.3125 479739.6563 569128.9375 567727.8125 604895.8125 24908.8184 22277.1270 24335.5586 PE-O (38:5) (plasmanyl/plasmenyl) 241541.5156 178982.8906 280730.8750 201833.0781 196584.5781 203711.0938 235228.0625 184805.7813 246115.6406 261348.7969 258118.6719 285547.2188 167309.9063 161954.1094 151643.7813 160717.4531 422069.7188 407244.3438 405065.5313 420400.9688 145144.7656 169266.8906 173917.5938 160482.6094 196788.7188 192422.1250 206919.8438 32560.2910 29678.4082 31632.6172 PE-O (38:6) (plasmanyl/plasmenyl) 802008.9375 628384.8750 910359.1875 689018.4375 680784.6250 667136.8125 773866.0625 628912.2500 785979.7500 826548.1875 820019.0625 869310.5000 544116.0000 547446.1875 507448.5000 524635.0625 901955.1250 912795.3750 883524.0000 954390.1250 486675.7813 551522.9375 577844.8750 547226.7500 659931.2500 656855.0625 678669.5625 18263.1602 16412.7598 17808.3613 PE-O (40:6) (plasmanyl/plasmenyl) 126590.5469 90867.8359 147256.5938 103509.0547 105597.7188 108730.6563 126536.8828 100149.7500 124742.7656 130640.4531 130749.2578 146265.5469 84005.0547 84672.2734 75290.0312 81620.3359 200107.6250 200878.2813 195995.6719 207401.4844 75841.5312 89136.8359 93200.9531 84629.0234 109052.4531 105440.8828 113168.4844 12034.5498 10329.1572 11725.5410 plasmenyl-PC 34:0 900974.5000 774593.9375 989883.1875 834835.4375 729116.5625 879583.3750 837295.1250 691617.5625 653614.8125 859290.5000 855742.3750 856554.0625 753220.5625 846859.0000 836441.0625 719276.2500 909454.6875 894257.3750 909612.0000 915576.8750 842824.6250 732756.5000 833576.7500 823780.8125 761293.5625 834049.4375 793652.9375 21414.6094 19690.1699 20110.5332 plasmenyl-PC 36:3 953445.6250 821146.9375 991466.6250 813341.2500 940450.4375 1000917.7500 1102471.5000 872872.3125 864538.3750 864882.3125 868601.4375 951689.7500 825974.7500 741499.2500 784193.5000 806298.8750 888525.5000 834687.0625 900029.8750 870743.6250 740766.6875 816053.2500 848457.3750 792420.2500 858174.8750 765806.0625 917781.6875 19804.8730 18060.6133 19782.1445 plasmenyl-PE 34:1 1335157.2500 1042838.0000 1539800.5000 1158312.3750 1149261.7500 1168408.0000 1399716.8750 1043310.4380 1339618.1250 1336319.8750 1355430.7500 1451483.0000 1051057.5000 1016408.0000 958766.3125 992971.3125 1712231.5000 1585969.1250 1591475.0000 1714946.1250 913614.7500 1031397.5630 1081486.1250 975763.3750 1097742.3750 1073670.1250 1157559.0000 6290.3652 5494.4541 6042.6943 plasmenyl-PE 34:2 98150.0391 78339.2188 116888.1641 89657.8750 79522.0312 77291.9688 95263.5469 69012.7656 79186.9453 76871.6406 81260.8906 85755.2578 78859.9688 78945.1719 72244.8984 70456.1562 76094.7422 68035.8672 69556.0078 80794.3438 63494.2695 69277.6562 78092.3672 70137.4766 75958.6484 73455.0625 77721.3516 7541.3960 7214.7656 7155.6792 plasmenyl-PE 36:1 295534.5625 216609.7344 364361.6563 247839.3438 233313.8125 250167.3438 317078.5625 212018.3125 302313.2188 299436.3125 308967.4063 342063.5000 215170.6719 197953.0156 194453.2500 200062.2188 464986.1250 409229.0000 426848.9375 462634.0938 172859.8906 205467.3750 224466.5469 192977.0156 224990.7031 223323.2344 251264.3594 4607.6968 4597.3022 4767.6724 plasmenyl-PE 36:2 90498.6172 76243.6250 99400.8203 83073.1641 84083.2188 84544.9922 95094.5078 76205.0312 100073.7500 99610.7656 100907.9922 99954.2344 77207.3281 76998.2344 73565.0391 74404.4766 105566.1719 99301.8906 99798.2422 105135.0391 68359.7656 73361.8203 80689.6875 72811.3125 77860.5938 76393.6797 77722.4922 33524.7656 29260.8730 31959.5723 plasmenyl-PE 38:1 20014.4082 15605.2061 24682.8594 16780.2109 17408.2129 19215.7930 21892.4121 15774.7197 19261.1406 19295.2129 18794.0625 20699.5352 15049.7519 13824.2031 13946.5381 13907.7002 20724.6699 18287.3066 19062.7344 21273.4824 12797.0068 14387.2793 16285.8838 13773.1143 16883.0020 15470.4277 17605.3691 3667.0015 3127.4465 3421.7971 plasmenyl-PE 38:2 50388.9727 36250.7188 59748.3867 42537.5117 40376.4102 41168.7109 51261.4922 35352.3320 49120.3789 46506.1484 48057.1367 53256.9375 34481.8438 32801.7852 30004.7168 31645.5742 43894.9062 39843.7734 41178.5977 45716.7930 27133.6660 31343.9727 37547.9062 32429.6113 38315.9180 37899.9609 41469.1289 1302.2383 1342.2241 1106.1224 plasmenyl-PE 38:3 33928.6719 26939.5781 39708.3008 29237.7031 30171.7051 29503.7305 33736.9531 27455.6934 36439.0117 35983.4336 35044.2227 39833.6719 27837.9238 27460.1875 25319.6836 27708.0645 58585.5156 57162.6367 56798.4180 59443.4102 24208.0195 26874.3008 28819.8027 24912.5918 29313.5977 28741.4004 29831.4668 3429.2083 3616.9773 3465.2507 plasmenyl-PE 40:4 23308.8359 12148.8555 29675.7148 11846.4932 12860.6260 12631.4385 24916.5195 10647.7236 13198.7188 14536.7529 13278.9170 16250.2041 15958.0498 9835.3379 9125.9814 14655.8633 22569.6562 21358.2637 21429.8320 35578.4883 13958.5820 16240.0459 17593.8750 15422.2842 11991.1699 11974.8496 22309.3691 2380.0208 2401.1345 2185.8987 PS (36:2) 218135.2031 169891.8906 244001.9219 170251.4844 177969.6250 174635.8906 226342.9063 147523.7813 98732.3750 99102.2812 96461.5703 110132.7734 180224.8906 158735.3125 162549.7969 165667.1719 106597.7109 107177.0156 110776.7969 107476.9297 144645.7500 177051.2656 196606.2813 170295.7813 185164.0000 163470.7500 203732.6875 44275.2812 41288.1367 48381.1094 PS (38:3) 82988.5625 70628.3125 88403.1484 72104.5312 109195.4531 115560.8984 105815.1406 112474.1953 120384.0703 129343.6797 124606.2734 134494.9063 65677.3516 66030.5000 60639.9570 62396.8945 119319.5625 114255.4063 113757.9531 124964.5391 69070.8672 76712.4922 77210.7188 74244.8984 93967.4688 92983.6328 99976.1406 6244.6694 5756.3047 6407.1514 PS (38:4) 50711.2695 43088.4688 53362.4414 45089.7539 55078.5352 53597.9961 56362.0000 50488.0742 40672.6914 42679.2109 42891.6328 44568.0820 43495.0586 40969.6992 40151.1484 40866.3750 51439.8594 52375.2227 50377.0977 51766.8633 44701.4336 49330.8594 49032.6445 45040.7461 55897.2344 53479.9609 56984.3711 7267.4634 18270.3203 20597.6699 SM (34:1) 761865.2500 640081.1250 824658.4375 680432.6875 611686.8750 608523.5625 746549.6250 545138.9375 540407.3750 550811.1250 538982.0000 617344.1250 604627.2500 550384.5000 558400.4375 572191.5625 618389.9375 575803.6875 589976.0000 609877.1875 491099.0625 587751.3125 625516.0625 542598.1250 620583.7500 616722.1250 679957.8125 392671.8125 351679.7813 396044.1875 SM (d18:1/14:0) 341630.8438 262584.6875 401922.9375 285616.3438 246047.4063 237757.5625 315271.6563 210801.8438 193077.1719 194062.1406 192352.0000 216321.7656 239216.3125 224382.9531 219801.1250 220037.0469 176168.6719 164056.9375 172384.3125 174131.0156 190919.1094 230729.7500 253388.3125 214701.4063 247318.0781 240894.7031 269992.3750 84087.6016 75058.2734 82265.4219 SM (d18:1/16:1) 253648.7500 190270.1875 307052.9063 212615.9063 171472.4688 175379.3594 228491.4688 160630.0469 143998.1406 151170.8438 142970.3906 170733.4688 168661.2656 149146.5938 148230.9219 156232.6406 173313.5313 160474.1563 167117.8125 169243.0938 136407.3125 163794.9375 176119.5156 147692.5469 181086.2344 175256.9375 201451.9531 209654.5313 195165.3281 203031.1094 SM (d40:1) 633018.5000 509244.1875 740750.1250 546234.6875 518299.5938 547247.8125 676156.6250 491742.0000 598793.0625 590593.1875 585317.8750 663554.6250 520662.0625 468220.1250 476815.6875 486024.5625 942963.5625 876626.5625 912492.3750 920530.8125 427805.6563 490979.5313 527612.7500 450365.8750 535282.3125 517908.6875 581940.9375 333110.8438 310688.1563 329328.1250 SM (d40:2) A 328862.4063 270017.8438 364301.9688 282830.5625 257461.5156 260644.7813 322373.4688 240917.9219 238071.6406 236234.1406 238028.1563 260225.6719 267823.6875 248657.8281 249588.8281 250099.0313 240620.7031 227211.6094 228866.3750 234851.2969 215700.4688 257291.5000 271341.8438 237218.9375 256972.5000 261976.1719 291361.4063 188759.0625 169693.5156 185282.2969 SM (d42:1) 657273.0625 516560.9063 798979.8750 567833.1250 539577.1875 577486.1250 727303.6250 522649.6250 622240.8750 618315.0625 602886.8750 691547.5000 556248.8750 514316.5000 514897.7188 529223.2500 1107980.8750 1016257.3750 1052448.6250 1053828.8750 465136.5938 529330.6875 562974.0000 492699.3438 551846.3125 543040.1250 628909.5625 205138.3906 188249.7344 198025.4844 SM (d44:2) 57940.6602 44106.3359 70169.8516 48276.7031 45816.4570 49209.7812 64902.8320 44198.2227 46942.5195 46360.0000 45543.6250 52612.5391 46463.3594 40718.1602 42744.7773 43549.1250 55222.0156 48456.8281 51025.7852 51211.7148 38088.3633 43402.7109 47945.1602 41221.3906 47355.9141 46855.1211 54045.0586 2374.3779 2303.1660 2804.6299 TG (14:0/14:0/14:0) 30454.7998 23829.5986 34470.3945 25464.9248 32309.6318 39508.5918 44909.6758 35109.8203 55927.5723 53227.8320 56305.1231 65630.5449 16991.6133 17916.3330 17694.9785 18220.4355 110634.0156 95767.5508 106473.7774 107810.4375 21310.3662 21403.0996 23766.5459 21225.3203 30567.0859 28769.0205 34394.0684 14857.8071 14010.0405 13163.3701 TG (44:1) 77850.7774 58624.5918 99211.9102 66022.6426 64929.4590 74655.2149 97713.7500 62320.3984 80097.6406 74396.8906 82735.4609 93649.6836 41620.7031 40466.3340 37498.9981 39230.6523 190926.3047 159114.9141 171002.4063 175153.6641 48380.7676 52483.8223 57725.3184 49568.3516 74530.9180 64292.9531 83883.0938 14641.2422 13913.3540 15053.5928 TG (46:0) 290818.6875 215156.2969 352358.3438 250866.7656 426337.1250 507593.8125 583208.8125 468602.6563 819127.8125 814591.1875 819445.6250 981311.5000 138410.9531 124603.8203 119561.4531 133212.8281 1100884.5000 1079041.7500 1092530.2500 1058534.3750 171506.3906 184698.9531 190315.0625 166158.2188 337643.5313 310870.5625 395285.9375 77802.7734 74436.6406 71991.1016 TG (46:1) 631322.0938 463088.1563 769089.9063 519732.1563 569098.1094 659715.6719 832488.4688 553192.5001 674682.6406 627274.5781 694134.8126 802619.6563 356736.3281 318673.9141 308330.4297 333444.1094 1214623.4690 1075047.8440 1151065.8750 1130018.9060 400182.7032 440688.0469 471801.6407 397305.4219 607014.8438 537365.2501 700892.7188 73039.6445 72431.7617 76158.6289 TG (46:2) 111211.6523 78742.3945 140965.0859 90184.5039 63938.9609 71173.3535 99138.1328 60547.9531 52755.4902 46081.7031 51935.1797 60226.9785 61618.0820 56679.8301 55294.6406 59532.7852 111294.0547 98569.1992 104001.0781 105043.2461 67733.1035 75617.3516 83938.5586 67604.2988 88752.4375 77879.0625 99196.3320 32305.2080 32553.0674 37445.6738 TG (48:0) 394963.1172 337065.2149 431174.2500 369033.5118 645774.9844 736004.3672 782065.8125 734967.9531 1328160.6720 1337385.7810 1313800.9140 1504362.7500 218948.8535 192073.5469 200838.6484 211289.1601 1429578.7660 1495999.2110 1480222.5630 1436210.2730 253397.3809 261703.9083 260129.7637 246700.6797 477293.0079 457347.8790 533583.4961 214421.8438 200474.8789 203624.0977 TG (48:1) 1753986.3440 1384480.8440 2019150.9690 1527907.0310 1958754.8130 2192469.0940 2527385.0630 1951635.6880 2417089.0940 2337833.6250 2441368.6250 2748398.3130 1091042.0630 990969.6250 960075.2500 1032002.7500 3354437.5630 3055091.3130 3253210.4380 3174738.5630 1245274.3750 1360684.1260 1390573.9690 1235522.5940 1891405.4060 1742794.5940 2102893.8130 393599.1328 377363.9454 395607.1250 TG (48:2) 844422.7188 632840.2188 1016341.3440 706413.7500 596730.8282 670203.7656 854048.4688 551486.0001 482107.9844 427530.7812 481801.1251 547964.7344 522182.2969 477819.0157 464771.4688 494659.3282 859405.5938 761618.3126 789722.5313 775442.5626 555270.7500 631673.9375 670032.6406 573000.4219 749323.0625 654680.7501 831755.1250 208311.0391 203564.0860 216855.3047 TG (48:3) 71665.8242 51243.7031 92711.6602 56942.6016 38507.1094 44147.9707 58107.6387 35749.4355 26317.7432 23812.1992 25156.0244 30816.4756 44015.6484 38766.1943 37566.9189 41426.2949 44207.1367 39361.9609 41462.5000 39233.0645 44270.6113 50088.1797 55417.9375 44555.9766 55310.8438 48252.0664 64351.0898 56810.9609 55532.0684 62807.2871 TG (49:0) 19446.9902 14340.4453 23857.9863 16697.0859 33709.3906 42408.3086 50274.2461 37077.5156 63622.2852 62354.0664 63514.3320 78628.2969 11097.4668 10229.9727 10022.7910 10654.6885 97426.4922 98856.7578 98906.8984 88381.4766 14103.4053 14786.4346 15570.4541 13393.3848 26440.0996 23464.7246 32635.2012 6595.9824 5526.1626 5719.5195 TG (49:1) 144284.7695 100398.1719 186931.6406 124160.1133 189286.9219 228169.1719 286024.7344 198506.3672 250659.4297 236706.9844 250062.5860 302850.5391 82583.3516 74001.0176 71561.2422 76423.1562 385566.8438 360319.5390 378631.2266 339449.5156 98015.0820 112787.2539 115271.9883 99380.1758 186959.0781 164891.0039 225226.5703 37378.9004 36462.5254 38827.9141 TG (49:2) 97948.5977 70946.6758 125272.7656 82624.9101 85511.3789 100004.1211 129435.3516 83486.8594 74929.5781 69060.6953 74741.3984 86270.5977 57945.6387 58245.6699 53739.3105 56265.0918 125501.3203 108257.5664 118243.1602 113378.5703 70630.2695 77904.0625 85549.3516 74485.8750 106855.6328 93763.0039 119221.3125 26397.2725 25496.7608 26433.4307 TG (50:0) 215452.3066 160187.2950 249876.2715 184478.6641 452685.0117 551481.3790 594174.1953 508969.2422 1122976.6560 1095379.5230 1108664.1560 1283744.4380 108766.8399 96328.4824 94461.9883 100443.6621 1453557.6330 1486626.9840 1466596.0000 1426028.1250 135457.7695 148351.3711 139604.9922 127830.2851 286616.3242 267511.7851 351201.0977 94472.1289 89478.2070 95288.7461 TG (50:1) 2436998.7500 2107384.7810 2628006.6250 2223877.7810 2900666.1880 3180254.8130 3399323.5310 3017246.8750 3747230.4060 3709382.8130 3800084.7500 4138052.1880 1698542.5310 1558033.7030 1557895.4690 1639849.4220 4504169.6250 4271227.3750 4470386.5310 4310092.1880 1856587.3130 1949665.2810 1968234.0940 1821603.2340 2625434.6560 2475276.4060 2840727.6880 1356913.9690 1284328.6880 1329337.7810 TG (50:2) 2773608.8750 2188377.8130 3179056.0630 2400547.0630 2425426.5630 2638291.1250 3096876.8130 2341029.4380 2177406.2500 2002625.4060 2171113.6250 2384253.3750 1910969.3440 1798899.8750 1733638.8130 1827600.2500 3047691.9380 2767173.5000 2871759.9380 2811316.0630 2117790.5310 2305482.0630 2389247.0000 2108606.2190 2745136.6880 2488350.3130 2952634.3750 1240437.2820 1200234.3590 1226199.3440 TG (50:3) 485109.5313 352217.3594 611040.3438 400165.7344 275204.5547 303959.6251 407111.5157 248173.4219 180154.8203 152871.7578 172452.3984 195097.8125 308597.2500 295988.2344 278796.3282 298248.8125 290343.2656 256226.1484 263552.2344 257454.6953 318589.3907 361581.1094 396075.7813 325778.7032 387339.3125 347898.1719 444170.3907 524303.5625 502610.9688 536706.6563 TG (50:4) 27420.8232 19802.8252 37117.2520 23405.2959 21677.2285 27036.5527 34542.2031 20564.5674 17020.0186 16221.0498 17329.4434 20706.1064 17917.3945 16195.7124 15442.2441 16464.5918 27420.2246 28540.6357 27303.2002 24036.7402 20613.1201 23760.2129 25942.1660 21481.6299 29380.0273 27746.0274 34945.8555 87378.8555 84831.3867 94124.1562 TG (51:1) 93197.1094 63184.7266 128615.6016 79843.5938 151245.2969 189296.1875 234428.2656 162515.2969 230947.3281 221994.8906 228062.1719 283752.2188 49230.0469 45306.0781 42839.3203 47405.9414 394461.4688 353738.5625 384221.3125 339276.9063 64850.0234 75705.5703 77615.5078 64071.5391 133142.7813 118386.1875 168967.2500 16780.2363 15366.3691 16305.3398 TG (51:2) 348781.0781 240390.1719 450390.5156 290043.6719 348747.0000 406234.8281 520180.4063 347005.2500 335119.1172 301321.1640 333212.6719 379576.2501 200626.6094 181368.6718 177156.4375 187734.0547 535586.0156 482687.6094 505900.5313 459648.0938 248519.2969 275934.0000 293713.2813 243057.8828 401079.8125 355569.1251 476226.2813 77800.5039 76497.5273 82708.3476 TG (51:3) 33047.5430 26804.1504 41265.6250 28342.9551 25794.3105 28307.7461 34318.6055 23726.6660 19173.4473 16605.8281 18770.2637 20187.1582 22071.7812 21775.3730 21489.3418 21570.5176 25934.7207 23758.0859 25738.1465 23795.0703 26380.2949 28027.7188 31761.7480 25984.5547 35728.0469 31087.6758 37935.6016 36519.1992 36441.2266 38541.4453 TG (52:0) 49787.9512 33972.7266 60374.8262 43274.7061 114699.7852 148882.4532 167087.8359 129955.7031 431402.7422 408992.6954 417879.2344 519792.8516 29792.5029 23440.2852 23146.6572 26015.2676 822467.3438 817886.6094 837374.5625 772670.8672 30961.5137 35229.4512 35604.4287 30235.0098 65321.4961 59302.7754 87046.8125 28784.3389 26736.1201 27317.9531 TG (52:1) 1322032.7190 1001199.6720 1557880.9840 1153872.2500 1866027.1880 2208191.7190 2438084.0940 2008450.0310 3047880.9690 2927889.7190 3050781.5310 3388537.1560 838213.2813 763033.5625 727510.9688 788052.2813 4135280.4060 3906093.2810 4096948.1560 3935884.6880 975941.5781 1057659.1410 1062923.2340 951618.2500 1574836.5310 1437010.0160 1808262.2500 403803.9532 380067.0469 398653.5312 TG (52:2) 4807658.5000 4179732.5630 5140381.1250 4410847.0000 4550112.5000 4801698.4380 5185306.4380 4472098.3130 4303495.6880 4066714.2810 4307446.8750 4457510.9380 3979961.6250 3803683.3750 3725598.7500 3841163.6880 5275579.3130 4930387.4380 5074747.1880 4997447.1250 4227046.0630 4409752.3750 4464707.2500 4187635.0000 4795911.3750 4515719.0630 5018291.3130 3090788.0000 2970556.1880 3048354.3130 TG (52:3) 1808494.4060 1384244.7510 2163892.9380 1580293.9690 1356551.6560 1492476.0940 1810645.8750 1278244.0630 988340.8438 856361.5313 960401.9688 1034183.7500 1297838.9690 1239214.9380 1175958.8440 1221632.9380 1388913.3750 1256693.8750 1273950.4060 1243945.0940 1400829.5010 1553408.6250 1637033.9380 1424791.5000 1714669.1560 1541097.8130 1873965.2190 3946899.0000 3765006.8130 3893002.8130 TG (52:4) 136591.1250 100462.5039 168807.6172 113559.7383 120154.9922 134255.5859 165347.9922 111177.7461 94476.0703 84382.7578 92339.0156 104000.5156 85767.4649 85276.6055 78751.3633 85811.3555 131584.9141 119308.2969 125059.9570 116293.2461 102731.4531 118055.6289 126971.6836 108170.4336 148812.9219 136924.1133 176727.1875 2059217.6880 1934573.8750 2010485.5630 TG (52:5) 53231.5078 36307.4336 67593.7188 44650.2383 47615.0820 56958.4336 77162.0391 47981.1211 41030.4414 37671.3301 39296.9238 49076.2852 38261.4746 36818.9023 35154.5273 38163.7070 80305.2383 74189.7422 79230.2383 68922.1602 47765.4414 54133.0137 56763.7383 47277.5352 66404.1758 61072.0508 81206.1758 154576.8906 154050.3047 161581.1719 TG (53:1) 50380.9678 37583.4902 65349.4736 44153.4521 81759.1680 101124.7520 116790.9043 87191.3457 141571.7519 134146.1895 143395.9063 166227.7441 33446.5703 28975.4326 27600.1138 29655.2612 244100.9609 227456.6133 241396.4688 214941.3203 38803.4668 42213.5420 42192.0898 38298.9336 70554.1777 63984.9795 80327.9619 9987.7686 10538.4397 11157.8843 TG (53:2) 97628.2109 76302.6797 114233.1563 88162.3047 105371.7188 113820.3828 128209.6406 101459.6797 103735.1172 102434.0078 106381.4688 119275.3438 67579.9297 62138.3320 60420.8828 62585.5156 161761.4688 146018.4375 155086.7500 144057.1094 76984.9531 82382.0000 83142.5938 75074.1641 103714.7266 96330.5078 115076.0000 25426.5117 24674.9766 28057.4824 TG (53:3) 255954.2501 178356.0078 341048.0469 217017.7344 216444.4141 250955.9141 324932.7188 207379.8594 168226.0625 146491.9844 160014.3203 181386.2735 154093.7109 147134.7266 140716.1328 146938.4922 250672.2188 226705.8672 232142.3360 213227.9219 182907.4297 219033.0235 226662.9844 190879.0078 271363.4297 239881.9063 321289.3126 57915.9492 58012.2285 61092.0625 TG (54:1) 274525.0391 190187.3985 367870.0157 234565.3047 443544.4454 562423.5156 660593.7969 468807.8907 971442.6875 909463.2813 967666.4844 1159971.8440 164582.3750 152389.0000 141390.5274 154563.7578 1805975.8130 1652163.9380 1775693.8130 1637769.1250 196144.1289 217263.3984 224991.9141 186203.1836 340213.5390 303626.8282 426651.0859 53425.0820 53310.5938 56367.8613 TG (54:2) 2459657.4060 1871285.2500 2892316.0940 2146496.5630 2510599.3440 2826927.2190 3157669.2500 2478405.8130 2789799.6250 2598750.5310 2818636.9690 2972159.3440 1837303.6250 1713832.8130 1633897.9690 1737371.8750 3577600.2190 3285670.5630 3434707.3440 3333179.7810 2020045.5940 2209238.7810 2234083.5310 1990705.3440 2543648.5310 2348375.7500 2823188.2190 356438.0626 337577.8281 350779.4219 TG (54:3) 3098554.2500 2655419.9380 3425154.4380 2884142.0940 2634527.1250 2748297.6250 2988466.6560 2468798.0940 2064184.1090 1874630.9690 2050473.8440 2005778.3910 2784454.5630 2720919.4060 2629176.8130 2648021.7810 2391269.4220 2228454.7660 2261759.6560 2226885.0000 2885378.5940 3043725.9060 3105610.0630 2884974.7190 2994777.9060 2794923.9380 3140873.0310 1252933.6250 1200633.7500 1238049.6250 TG (54:4) 460495.4844 327881.4219 580126.7969 393982.0001 402918.2813 470574.2031 574339.5156 396905.8125 330015.2813 293290.1875 320306.2344 357613.2812 278458.7344 267654.3281 256035.4688 273468.7891 455800.4844 418713.6250 430989.0782 399739.6406 337732.8437 379829.8282 406347.2344 344152.4531 493000.5313 446965.7188 585588.0469 1369757.5310 1323371.1250 1377937.3440 TG (54:5) 161176.4336 115268.2773 197623.3594 135415.7969 181650.7968 204614.4415 259163.5234 183192.7383 170059.4609 151653.4766 159127.6250 190970.1329 109505.6836 108540.2422 99898.6406 111652.7148 311544.8047 296189.8516 312442.2422 272605.2110 152484.1172 165828.2813 173835.5313 151012.8125 223033.4844 204689.4922 277920.2890 901553.4063 858824.2500 868547.7500 TG (54:6) 56666.6894 39485.7510 73501.7226 50414.6631 50022.3125 57673.5117 76086.8613 50198.4648 41160.5762 36799.8301 39095.2578 48341.5195 45580.3438 44302.0283 40622.6455 44392.2275 82198.0391 77360.7969 80905.4141 69385.2207 54274.9268 60363.6914 60402.6846 52686.7520 69377.6914 65130.6914 83098.0918 206136.6562 202612.5469 220541.8204 TG 54:7;TG(16:0/18:2/20:5) 18825.6016 11614.7139 26580.3555 15617.8789 16433.0195 18432.9805 24602.0410 15607.9775 10734.9189 10472.0088 11482.5508 13529.0586 13384.4531 12580.0244 12009.9648 12527.8027 23482.1816 22695.3477 22349.0020 21231.7207 15554.6143 19479.5039 19049.3926 16135.1621 23214.7051 21007.5293 28862.0547 9948.9980 9910.1709 10182.7090 TG (55:1) 17443.7520 13640.4453 20723.6719 15847.8516 24331.3887 27834.9805 32028.2891 24553.3750 41322.3555 38296.3750 39752.7266 48143.1016 11196.0293 10541.4004 10621.7715 11012.0059 72517.1953 64432.1055 68162.2188 64085.2266 12880.7754 13783.3721 14375.5039 12537.1836 19576.2344 18273.7422 22083.4141 3266.7456 3015.0117 2804.6548 TG (55:3) 144581.2188 94567.0938 200667.2344 119459.5859 137437.4219 161863.8438 206293.8125 130655.9766 119771.3047 105086.1328 120050.9922 135652.1875 88779.8672 83051.9141 75864.7109 84610.1875 184585.7188 162633.7813 172302.8906 153180.7344 102088.5000 121157.5391 128818.5547 106022.6875 156279.7969 137475.0313 189108.7813 2511.0417 2614.9204 2702.1953 TG (56:1) 245702.0118 177622.2422 319377.8242 211012.6641 266779.5821 323207.3438 379572.0547 284386.9688 525261.2578 480518.6797 504749.5391 614793.1172 147245.7148 128757.6465 126416.0742 133278.3906 882171.9063 819810.6094 868299.0313 813397.5781 150041.0079 164323.9648 177014.5196 141467.6015 227907.8321 204393.8633 277407.9610 17784.9873 18417.1655 18450.1143 TG (56:2) 603252.5938 425409.6094 779474.1094 514697.9063 642408.4688 766669.6563 921418.4219 643194.2969 818226.3125 758813.7656 835271.7344 957598.1563 403809.3281 387719.2188 359032.5312 380191.8750 1227795.9530 1085519.6880 1154942.0940 1090064.8750 446743.0938 511602.7344 545822.5626 446174.5001 637941.7188 580893.7031 754426.2188 25961.5762 25339.0478 27896.7256 TG (56:3) 1210949.8440 923234.9219 1466676.1410 1083238.4690 1031477.5470 1135890.6250 1312051.3280 977667.3906 801191.5000 734681.2344 803539.0781 837320.4375 936852.4688 911149.6563 844195.8125 866482.5313 865014.6563 790833.3672 807834.3672 791773.8438 974810.6563 1105110.5780 1135351.2500 1011504.4060 1163069.4060 1056474.3440 1266549.0310 33289.0303 31920.7637 35270.0859 TG (56:4) 230718.7852 174061.6797 274983.6094 203668.3359 228133.8008 259243.4609 300269.7266 222286.7657 201006.6250 185554.3399 199376.9648 228225.7305 166232.6954 164680.3672 155445.5742 163306.0508 317792.3985 297581.2812 312080.4141 268002.8985 191540.1602 214482.0196 224387.6133 200441.1563 255883.3125 233597.5937 295928.0781 51360.3193 47813.1748 51705.0879 TG (56:5) 168934.9141 119935.4375 220470.2969 148031.2031 196513.1953 224098.1719 273938.4141 198562.3359 188161.7422 178525.7656 186012.9219 215470.9493 106996.1406 103262.9492 98063.4062 105545.4180 331310.9219 316255.8672 334076.1094 281057.1172 139788.4766 161300.9766 170402.0313 143105.3281 218856.2500 199072.8516 273969.3594 90972.3516 87544.5508 94279.7070 TG (56:6) 253256.8984 187877.4922 326959.7500 226960.9141 252873.9844 284560.4531 351845.7110 250341.5625 183240.1211 163755.3633 173818.1993 201161.1251 183736.9922 184469.8750 168081.5938 186544.6797 320506.8282 297551.8984 310395.3203 266859.6251 249448.5390 279039.2110 284860.9765 245683.3126 338157.0469 311497.3828 401836.7422 155399.7344 147348.1641 159042.7929 TG (56:7) 122328.9024 89958.8242 167248.3906 110264.8047 130508.9961 152999.3203 191193.0625 131787.9219 91939.7969 88843.2070 93998.0664 112518.0234 89647.4180 89353.1953 83349.0781 90612.4219 185687.1484 175948.8203 185397.8828 163390.8984 125623.5313 137993.8516 135112.5195 120644.2266 177456.7266 165759.7500 212882.6953 121835.1992 118321.1914 129034.3008 TG (56:8) 23399.0059 16794.8145 30840.9102 21741.8477 16771.5039 18240.0195 23727.7070 16359.1133 9126.4014 7866.8784 8462.9277 9987.6172 17140.0859 17335.3008 15667.2715 17187.4551 14231.5156 13543.5781 13692.1064 12244.8477 21233.1973 24150.7812 25138.3008 21715.5000 28190.4316 25361.9590 31917.4785 22599.4512 21806.9688 24635.2598 TG (58:2) 764019.9844 581336.5001 973988.2188 677692.1250 623556.7969 733522.0313 869308.8438 621644.5001 725874.5156 661544.4531 713720.2344 815213.4375 534538.6563 488847.8282 457867.1876 494267.1094 1041396.1880 937606.2188 996705.2969 935757.3594 540672.0157 594346.4375 634846.3125 520712.9532 662638.0156 611218.2188 777864.2813 24840.3086 26092.3438 26979.7002 TG (58:3) 357793.5079 249309.1641 483351.9063 308079.2657 316429.6954 367839.5079 460221.4375 301951.8125 292592.5704 261245.8125 295747.8515 322799.8047 242565.3204 234534.1406 218152.8126 223252.9688 359711.2188 320824.2891 336696.0235 317521.5859 258279.6015 295715.3437 329657.2734 261862.5313 344555.3672 307774.3047 408643.7031 20848.8340 19777.9619 21527.7051 TG (58:4) A 64297.8906 45184.8945 78804.7480 54511.7617 62567.4297 71505.0723 82443.0469 60623.6621 56687.7051 52596.2783 55938.1875 65656.3516 45366.9961 43466.9883 39183.2002 42087.5625 81910.4277 75637.5449 80954.3965 71092.0820 49033.8340 56042.4238 58866.0586 50965.8711 66554.9902 62141.4766 78857.0918 8042.9470 8199.6382 8724.6604 TG (58:5) 32421.1113 21483.6992 44571.7656 27917.3672 35809.3398 43448.9141 56491.4023 36827.3398 29772.8262 28151.5605 29979.0117 35037.4336 21090.1289 20649.6914 18477.2656 20191.0293 56467.5586 56331.4297 58800.7383 48870.9180 25707.9590 31201.0977 32675.2324 26900.6992 41391.7617 38362.5078 53776.0625 4494.0200 3841.3242 3620.6277 TG (58:6) 91462.0312 64551.9805 116991.5938 80223.1934 97485.1211 118471.4024 141320.4805 100166.5391 90723.6895 88547.9980 91453.7266 105440.4883 68608.9785 67588.1602 61360.7852 65654.7520 176514.0430 167132.4336 172815.6758 151130.3438 83872.0078 93576.2734 94733.1328 80571.7266 115805.4102 108072.9023 140793.3242 10261.5742 10613.3154 11522.3980 TG 58:7;TG(18:0/18:2/22:5) 80961.6250 56647.9492 114528.9922 74220.1250 69105.4297 79805.9219 102982.8516 66562.5625 44055.6641 40295.2148 41657.2344 47814.0117 50150.6914 47459.0547 43843.8320 47535.4570 67749.5156 64796.1875 66074.3672 58132.7930 65277.2148 75289.7891 76299.7578 63061.5547 93671.8828 83355.4219 110640.4531 9090.2207 8474.8242 9487.7822 TG (58:8) 77132.3906 56187.6094 96710.0391 67947.1484 62696.7539 69732.3984 80908.6875 59886.7031 35176.0195 34143.7305 35413.7812 37048.4609 48705.7344 48531.9062 43878.8438 46197.0703 49638.2148 47205.4023 48163.4297 44846.3750 67300.1016 74987.8047 72121.1797 66315.9062 89276.7812 81572.4141 98935.8672 8258.9141 8993.4160 8987.7080 TG (60:2) 786316.1094 612965.6094 983379.5469 694889.4141 547834.4141 628436.2891 736787.9844 530204.5078 613003.5391 561074.1016 608946.9766 667980.1953 584583.6407 541229.2500 501092.6406 545378.4766 858915.1406 763007.8516 803674.2266 762885.3438 561780.7501 597710.9922 618931.0703 525940.3907 577968.7188 537296.3906 663052.7656 39247.3374 36556.0444 34872.7197 TG 60:3;TG(20:1/20:1/20:1) 491070.6563 356288.0938 647573.7500 431811.4688 350121.8750 411203.5000 495675.3438 338511.1563 327519.4688 278838.8125 313920.6875 349874.0313 347230.4688 329128.4688 302627.2188 314696.0313 388301.3438 350377.2500 362092.3438 340670.5625 341173.2500 390033.4063 432639.7813 343594.8125 395963.7188 364549.1250 481310.3125 24526.4102 24133.6113 22745.5098 TG (60:5) 15568.4854 11075.8164 18418.2051 13471.4814 16608.7402 18494.5195 21991.6035 15768.0166 15301.0527 14126.0420 14250.9482 17089.2793 10099.6279 9987.4746 9202.5293 9098.0693 20441.4473 20501.2031 20420.6426 18584.2324 11731.1396 13184.1553 14097.4561 11939.7812 17648.2285 15443.5527 19960.0488 1859.6757 1761.2743 1839.7313 TG 62:3;TG(18:1/22:1/22:1) 1002555.1880 876979.1875 1146990.1250 955931.3750 832681.0000 866976.7500 892238.5625 805745.2500 755149.3750 726319.5000 752678.6875 752907.9375 861816.9375 870955.1875 812685.3750 824906.7500 742405.1250 709253.3125 733725.6875 712807.6250 838727.0000 885682.8125 935261.2500 847023.2500 834731.8750 828734.6875 898862.5000 442195.9063 425879.9375 390641.3750 TG 66:3;TG(22:1/22:1/22:1) 53225.9922 39138.3438 73669.3125 49176.7461 41269.6406 45009.5391 48752.2695 36439.0938 33741.5859 27445.1777 31991.9766 33331.0508 46200.7070 46792.7266 40739.7617 40288.0625 33325.6719 28240.0156 30409.8848 27665.7578 44165.7695 46635.0625 54705.3828 43363.7461 42949.2070 39756.9492 50230.3828 8281.0137 7506.0093 6922.4692 1-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 1084817 1098534 1181901 1014691 1069929 1047771 1065844 1117622 1084228 1053893 1007773 1025488 975816 915242 924731 998972 976802 1054067 1064860 1011052 1068166 1023475 1064943 28878 25042 27774 Ceramide (d18:1/23:0) 13894 13790 18119 12813 11769 12355 12396 13535 6112 5566 5467 6442 12874 10963 12137 12300 7234 8753 9387 9108 13663 11748 14552 2533 2438 2752 CSH_posESI #015 28519 32204 38256 30133 28909 28422 28671 33093 22753 20760 21781 24346 38335 37367 39820 37531 24449 24743 25967 23420 27886 29534 32668 244593 8615 222557 CSH_posESI #017 16823 18987 24469 16598 17999 17749 18288 21587 11413 10601 10791 10978 27731 25705 25833 25328 13622 14809 15587 13433 20618 17597 22455 4204 4099 4602 CSH_posESI #022 38144 33601 33315 35874 17754 18584 18478 16947 95879 99143 93361 101893 22796 27318 23277 26506 65120 69027 69850 62372 47551 51361 43764 14985 15813 18494 CSH_posESI #037 9349 8485 8143 9091 8224 6771 7183 6242 8995 8540 8836 9469 9306 10665 10425 9956 10708 10512 9809 10106 10202 10442 10137 23951 22495 24207 CSH_posESI #056 14457 14537 18770 13619 15415 15560 15284 19028 7659 7189 7079 6912 23065 19814 22055 21255 8355 9404 9995 9047 12532 10980 13807 2378 2122 2232 CSH_posESI #081 18139 17802 17078 17365 13517 12602 13434 13306 22159 21928 21800 21255 13454 12613 12817 12826 22118 21312 22540 21393 19364 20007 18982 4290 4323 4650 CSH_posESI #091 18767 18945 22427 18524 17556 17693 18142 21334 10582 10410 10059 9948 13111 13090 12597 14176 10294 12351 12864 12279 17035 17504 19327 2690 2121 2310 CSH_posESI #098 10098 11196 12843 9921 8091 7964 8299 8734 10662 9605 9571 11637 14223 12852 13722 14407 11604 11518 13399 11898 14389 13486 15715 4782 5620 7315 CSH_posESI #106 189762 202948 196314 191991 171202 179094 178489 189390 130605 132015 121227 131299 172437 172353 170774 174522 135329 144409 142441 139343 177086 176890 182547 21841 20630 24768 CSH_posESI #116 118800 103639 141729 114856 117173 126015 123096 125717 151009 140559 137287 149920 140953 135457 121447 133384 129604 152825 150899 138736 147676 139005 137657 22910 21635 23895 CSH_posESI #124 11413 11527 11544 11182 9552 16018 18032 10094 9419 9762 9726 10264 8148 8011 16469 17081 9585 12275 10983 10604 11373 10846 11379 10885 9842 6117 CSH_posESI #130 36539 36366 38645 34641 33677 33521 32447 35224 38713 36284 38402 36614 31478 30909 31702 31035 34862 39370 39945 37810 41239 40407 41548 4642 4778 5370 CSH_posESI #134 31943 33431 32192 29781 27536 25516 27609 26145 36367 35641 35582 35506 29472 28542 27638 27742 36588 37474 35797 37411 33653 33357 34115 51645 50890 52309 CSH_posESI #141 24215 25283 24001 25500 30830 29714 30030 30055 18392 16929 16558 17704 31155 32289 32046 32499 17470 17580 17786 17074 21127 20323 21794 27158 28795 30834 CSH_posESI #142 55393 54568 57882 56357 53146 56619 53278 55226 54028 51759 46815 48809 57083 61033 54496 56100 49447 51632 54051 49940 54082 56347 57180 55197 55835 54036 CSH_posESI #156 214220 249402 292767 219187 223639 223679 217421 251081 185303 159645 149725 164849 270253 301853 263682 265249 170412 200791 200675 167966 235895 227034 252211 589771 585765 597419 CSH_posESI #164 31591 31379 31567 30856 26896 26468 27634 27970 30340 30334 31415 31898 33005 30214 31296 31534 33505 31777 33264 34782 33794 34055 35385 11435 11752 13014 CSH_posESI #170 22690 23215 25470 20324 17086 15642 15485 17796 25622 24290 23956 25824 19662 18639 18575 19416 25277 27486 28134 25847 26957 25992 27712 32733 33536 36886 CSH_posESI #176 20833 25511 26914 23298 35219 32715 34664 38602 9860 8676 9163 9649 40810 40775 41047 38918 11788 11774 12719 11376 18156 17335 21953 7673 7689 7084 CSH_posESI #196 30390 32063 29970 28570 27285 26709 27301 26836 32945 32952 33003 33291 29160 31845 28645 33145 33638 32138 33084 32624 31088 30246 31845 25026 26596 27113 CSH_posESI #197 9566 9933 11598 9135 9619 9409 9590 12017 7396 6668 6332 6375 8067 8084 8103 7956 6243 6791 7864 6687 8617 9075 10361 14970 13039 14186 CSH_posESI #201 95514 103140 122793 86760 100587 101430 94408 114277 31002 24582 28391 28904 63163 65869 64749 69615 31414 39615 42060 33710 79746 71620 81782 549471 497011 531850 CSH_posESI #203 34548 32594 32116 32096 28520 29091 29044 27748 36307 38740 36977 36956 28500 28240 28749 28562 37826 37187 37611 37442 34578 36610 34616 27168 28483 31171 CSH_posESI #211 14297 14768 15412 11780 10812 10513 11116 11330 12417 11864 12400 13472 12753 11869 12131 11916 15457 16183 15958 15938 17840 17489 17990 53133 57783 59733 CSH_posESI #215 35950 41252 56119 35188 41652 37182 41204 47975 17010 15920 16006 16730 74541 66278 71726 64123 21813 24158 27426 21831 38063 34389 44945 10260 10142 9558 CSH_posESI #230 35516 35581 30556 37381 34339 33778 33181 32958 35173 35892 36932 35437 30708 31645 30823 31047 38406 37021 32185 36134 34990 36835 33038 79423 85190 88463 CSH_posESI #232 43811 40662 33077 42770 41920 42508 41882 39027 40177 43606 43564 41368 39732 41164 40707 40459 42595 39450 36849 39768 38154 38706 34148 3318 3160 3677 CSH_posESI #261 27925 25825 44223 22567 11313 11952 11026 15198 49908 43405 41166 42369 13605 12197 12500 14114 29297 42061 46793 36842 35853 37031 41000 48006 37707 47128 CSH_posESI #270 219420 246484 267547 226601 242430 252423 254470 291846 137881 136743 136926 136592 284508 265900 279225 274357 145644 160882 173951 160183 221863 198355 238171 70030 63951 69264 CSH_posESI #275 62966 69995 76376 63119 65469 68350 66644 75434 44834 43806 42844 42447 71427 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13866 1175 1070 1004 876.82m/z_11.59ri 28592 32188 42829 27674 32134 30700 31991 37613 11005 10244 9713 10871 29533 25637 25960 25428 12821 14771 17053 14030 23945 24392 30368 5284 5429 2856 895.82m/z_11.65ri 126041 134676 155797 117967 123191 124010 129311 138528 66044 68908 63000 64386 96119 90008 90752 95837 70601 80330 85755 77933 111847 105605 114938 2474 2403 2096 617.59m/z_11.67ri 41321 43658 51763 39644 38846 36801 39179 43250 21761 21247 20034 19781 31141 28321 28884 27929 20780 27098 27387 23783 36068 34821 40800 448 380 460 921.85m/z_11.67ri 25082 26526 30738 23277 32413 31304 31997 36590 14316 15913 13239 14141 49578 46453 48968 46818 14932 17382 18483 17134 23093 21587 23664 2025 2107 1937 890.85m/z_11.68ri 331740 350349 420581 309700 326837 318045 331576 365779 167532 161371 149149 156715 266428 240886 252982 253287 169540 205394 216900 190158 294047 273576 318862 1159 933 1011 591.57m/z_11.68ri 279635 324360 373870 283344 397853 380306 393488 449732 129818 124578 116314 123359 401611 367804 381303 379764 130843 150905 159257 138226 226876 209099 255763 1217 1016 827 873.82m/z_11.68ri 25509 27354 35078 24506 27550 26566 27963 30435 14091 13020 13754 12948 23252 20597 22226 22361 15514 15499 17228 15994 24108 22392 24683 685 674 766 916.86m/z_11.69ri 52017 53413 64931 46816 44204 41837 43897 49106 31479 30912 28644 29939 34771 31080 31969 32232 32872 38066 40534 37513 48173 47125 53010 826 824 828 869.79m/z_11.69ri 216538 238837 264692 216509 288613 283935 286928 316666 101159 104893 94023 98007 290973 270718 277377 281095 106644 118082 122711 111681 168419 160461 179648 1176 866 1143 946.88m/z_11.69ri 43116 51691 58524 41526 50102 47368 50150 58614 30038 28869 27065 28527 78712 69340 76790 70054 32099 36509 36752 31867 43043 40468 46202 2143 2288 2285 972.89m/z_11.7ri 27266 30744 36558 25594 22900 22068 24957 26496 22791 23868 21542 23111 30536 27080 28034 27288 25093 26997 27157 24037 28477 26746 30709 1439 1465 1631 551.51m/z_11.72ri 18161 22126 22606 18899 33569 29704 30646 35352 9532 8484 9072 9430 41312 37653 37598 39246 8967 9663 10888 9232 14015 13166 15828 625 582 584 565.56m/z_11.72ri 366479 429856 485387 394845 688829 653582 654875 765437 171927 157601 155845 164514 836323 778901 804716 812415 171976 196575 193600 173794 284544 257935 316059 3717 3114 2779 883.8m/z_11.78ri 21930 22820 25165 21547 29391 28374 28073 30652 11869 10800 11468 11606 28366 27809 27529 27883 11850 13381 13685 13041 18151 18142 19316 1048 1079 1134 942.87m/z_11.78ri 9497 10663 13669 10207 10301 9594 9857 10986 6470 5961 5721 5871 13007 13366 13414 12075 6749 7594 7948 7093 9871 9759 10860 722 722 956 857.78m/z_11.78ri 8169 9717 10274 8832 15454 14826 14656 16700 5092 4831 4901 4813 16994 16221 16612 16573 4944 5306 5273 4534 6792 6677 7539 778 816 910 1007.86m/z_11.8ri 9476 9332 9627 8444 7560 6903 7570 7453 10530 9764 9886 10127 7643 7062 6695 6771 11724 11145 10954 11234 11423 11554 11295 1922 2173 2425 991.87m/z_11.8ri 116464 126737 140026 105138 89853 88075 95385 94968 129804 123974 123035 127232 92337 84756 89602 84611 129633 137731 140358 130483 137537 128775 145970 13311 15844 18202 605.57m/z_11.81ri 9866 10886 12682 9552 12972 13297 14571 15405 4670 4280 4069 4219 16073 15388 15999 16604 4688 5733 6663 4859 8355 7104 9751 471 619 476 981.83m/z_11.81ri 10882 11209 12159 10170 10486 10524 11296 11443 11026 10085 10421 10392 12765 11851 11843 11844 11375 12216 12529 10527 12607 12139 12741 1046 1281 1589 997.86m/z_11.81ri 10014 10702 12479 10165 9881 9424 9291 10545 8418 8477 8089 7550 13929 12123 11384 11419 8245 9405 9575 8855 11093 10930 11767 1188 1220 1007 878.84m/z_11.84ri 24833 28245 33334 23972 37492 34371 33798 42564 10123 10537 9704 9889 44517 41028 44259 44260 10650 12698 14932 12127 19916 19510 24290 3117 2219 2600 1028.94m/z_11.86ri 10416 11115 13781 9435 8435 8412 9062 9577 15637 11124 10645 11436 9582 9326 8946 8123 11681 11489 11381 14389 11632 10761 24229 2783 2220 2104 904.85m/z_11.87ri 24803 28067 32589 22945 26202 25059 25401 30609 13054 13371 11599 12402 28418 25872 26139 25118 13538 16158 18779 15090 22439 21089 26440 4134 4382 3580 932.89m/z_11.99ri 61562 64622 78783 54394 61866 58119 59363 67428 36759 33703 31629 31681 61416 57345 56694 55358 32831 42005 45477 38776 53772 52379 63440 4712 4145 4074 927.87m/z_12.04ri 9355 10182 10635 19437 14570 14272 13755 16592 15472 15147 15644 15361 28722 25452 28257 26632 15396 15708 16455 16650 21054 8206 9688 1337 1294 1585 948.92m/z_12.06ri 202486 191628 229629 173985 259164 236038 237229 282108 110558 103760 92302 121259 350901 329754 349270 330116 102240 125054 140066 115935 147526 147284 189619 2064 2079 1916 974.94m/z_12.07ri 188982 195304 237692 171116 196403 181989 183234 212483 111763 110181 95362 101978 185387 163677 174989 165533 106736 130213 151942 123904 164052 156211 199105 1684 1888 1815 923.92m/z_12.07ri 19679 20687 25371 19888 26920 26261 26209 33821 12283 12434 11104 12822 60193 55396 59314 55960 11140 13628 15118 13141 14864 14041 18663 2321 2179 2266 953.88m/z_12.07ri 34660 41834 48661 35315 54609 51430 52854 59376 27656 24548 24494 25964 73486 66118 70139 73165 25758 28909 27826 24876 33381 33287 38275 899 927 946 1029.98m/z_12.08ri 13472 19519 18069 13418 15242 15228 14367 17981 10073 10208 17364 18394 13873 12228 14668 12694 18357 22002 23167 19454 12764 12375 14408 2426 2181 2231 701.68m/z_12.09ri 36075 36318 42298 30372 34993 28555 32056 36372 22072 18956 18656 18956 28416 26116 28386 26728 20504 23556 28224 22773 27803 28082 34513 476 428 421 979.92m/z_12.09ri 35270 39367 46068 34133 38967 37314 37241 43004 24314 24779 22697 22937 35847 34042 34749 32775 24528 27186 28491 26620 34819 32316 37321 1856 1779 1526 957.91m/z_12.09ri 16139 17163 19528 15138 17408 15402 16921 17601 10444 9945 8317 8540 17145 14763 16390 15320 9550 10651 13609 10957 12966 13969 17052 1303 1064 1089 675.66m/z_12.1ri 87792 91517 109504 80638 118499 103654 107536 124469 54684 51929 47443 49183 151883 140961 145582 142321 52434 62558 69103 55758 72905 69417 90386 789 683 506 931.89m/z_12.11ri 17357 19511 21856 17989 28442 23882 24509 28295 11452 11172 10515 10320 36061 32108 36169 33551 10399 12921 14344 11150 13905 13723 18766 1624 1673 1795 649.65m/z_12.11ri 45348 49854 57424 43490 65421 59815 60888 72218 30992 29847 27257 29809 128606 126604 130498 119866 28809 35874 37437 30771 40180 40186 47069 607 608 577 1099.03m/z_12.16ri 16191 16943 20792 14039 12383 10518 11388 12247 20461 19900 16499 17788 9784 8723 9334 9216 18145 21235 23302 17839 17627 17371 20904 1407 1375 1377 1030.99m/z_12.18ri 22322 21546 26813 20519 23171 20778 19002 23191 15909 14309 13646 15650 23809 20831 21632 19671 14253 16171 21328 15562 17219 18581 22736 2685 2638 2104 1101.01m/z_12.26ri 34584 31697 39539 29933 28966 22813 25795 27798 29698 26706 25654 26583 19485 17303 19031 17701 23569 29219 36586 27043 28882 29864 39330 1146 1070 1019 332.28m/z_0.86ri 24801 84008 11840 9632 7468 287011 40574 978519 42928 21306 414938 234890 430791 17447 834846 26742 16667 14904 8775 399443 43545 44571 26632 20694 8578 14937 810.75m/z_10.57ri 48754 53037 64594 48711 79091 74839 76079 89999 20096 19435 18922 20494 100294 103836 99443 91255 23569 24700 25614 22784 37656 37039 44950 18163 17196 16209 813.73m/z_10.93ri 487430 513858 628095 467755 556402 537040 546805 620215 284162 263915 260483 268622 474791 430221 443955 457155 280508 321825 338934 296511 440666 404496 469976 1929 1890 1930 867.78m/z_11.31ri 1529924 1594895 1823587 1442709 1325861 1294903 1330817 1406895 849736 805803 776010 786729 919754 840653 870053 887948 893137 1023944 1081259 957558 1429850 1336065 1504072 6371 5980 6054 836.8m/z_11.32ri 1468233 1569156 1784057 1454211 1715196 1692102 1707392 1863966 882900 814144 788291 830695 1558633 1453334 1491448 1513162 874567 963261 1008809 896158 1287418 1221789 1380580 7257 5874 6245 793.76m/z_11.33ri 160344 172908 179493 168495 257041 259253 253306 273374 118206 108845 113161 114644 301652 295739 295460 301970 109893 112521 110815 106494 131815 131915 137222 2826 2676 2641 864.83m/z_11.69ri 655739 733805 835543 651756 932800 903315 890458 1031659 298020 281715 269086 288645 955684 867086 911031 913775 304774 350156 366091 319837 522592 489186 585469 3082 2294 2058 537.52m/z_11.7ri 66526 77086 84682 67959 126307 119838 122976 143544 30513 29234 28683 30246 148260 137939 142363 147821 31556 34659 35243 31418 49813 47557 56939 3442 2701 2646 843.77m/z_11.7ri 316145 359463 402267 322120 625860 611115 602323 693779 144571 136830 128469 138076 802702 747057 781064 793460 145511 158706 161221 143681 225177 217302 253490 3658 2886 2583 908.86m/z_11.83ri 49034 61288 69370 54364 161446 153762 151724 186229 25446 20573 20538 22180 349623 338463 348992 329773 22336 27349 25144 22992 35772 31722 44485 17828 19617 17354 835.56m/z_4.33ri 26074 26649 35556 23080 17669 13183 13219 15841 40509 37541 40494 37506 14390 14151 14001 13884 28072 35191 38121 34427 32476 28307 35659 2045 1647 1844 692.53m/z_4.47ri 122868 119534 172276 110136 100057 99774 97067 111023 140837 130142 130093 130499 140382 128589 131722 134009 108013 134863 148921 122353 138645 136660 153402 2108 2001 2214 664.52m/z_4.53ri 106247 98437 150893 90386 81775 83858 79136 91446 134644 116260 109779 129654 86299 81189 84278 86467 107729 120466 123127 102887 121636 117369 143674 1600 1435 1593 712.53m/z_5.03ri 959216 955932 1136105 879948 955291 941103 950844 1014297 1015846 949738 936789 942464 968631 902449 914242 966140 861385 950472 997894 890268 940356 920536 1001439 3376 3542 3504 738.54m/z_5.12ri 1007878 986320 1154834 919407 879630 872427 890236 939365 1046368 1005947 969740 985402 864164 810739 807057 872787 891318 989680 1035595 952233 997521 980531 1028997 12454 10728 10806 714.54m/z_5.13ri 2194835 2173281 2519869 2025071 1913193 1882767 1899945 1983383 2436653 2317944 2299892 2284518 1208117 1085492 1104663 1191839 2110447 2299080 2396472 2184763 2213711 2154757 2305609 6423 5409 6315 740.56m/z_5.19ri 3277932 3259388 3724062 3015202 3136970 3099890 3103333 3273615 3421004 3263065 3233027 3234749 2714428 2511805 2531876 2718049 2938402 3197647 3320453 3056229 3173221 3107864 3276406 22244 21055 62144 832.59m/z_5.23ri 630783 624679 711732 615295 383863 403608 383176 433094 635695 623741 606916 614621 356904 362850 356075 347239 622182 702061 694696 666744 733284 734614 778362 148486 135047 150002 1568.14m/z_5.49ri 327347 313652 376681 290367 267862 268843 269937 291025 339900 318093 313044 317684 285798 275817 272946 282534 278333 322379 341695 311198 332788 330948 355184 3848 3270 3684 520.51m/z_5.57ri 74852 71917 86083 66361 60676 61343 61477 66002 47482 45635 45745 45005 53302 51249 50842 54136 50826 57129 60774 57210 73290 72391 75027 2917 2514 2960 1526.11m/z_5.6ri 23177 24533 29180 20593 18524 20174 18308 21304 26201 24302 23293 24948 23976 21988 22912 23811 20525 23540 26733 22165 24700 24767 28162 2803 2349 2763 1486.12m/z_5.64ri 46695 48040 58275 43967 39795 40061 39566 45204 54170 48630 49586 51148 53344 48695 49915 53613 44137 49950 52768 46411 49751 48471 54893 783 809 797 1484.09m/z_5.65ri 84411 81428 106267 72812 66040 66232 67208 74698 99311 92667 85841 89715 62996 56679 58104 63761 72661 88095 98810 83099 85516 85447 93284 787 722 652 842.59m/z_5.72ri 41812 44210 29380 42349 35931 46545 30111 30444 34369 23191 23538 23717 48512 29665 30065 48839 24625 32469 25735 32383 28695 28386 29266 20740 20308 21036 779.57m/z_5.96ri 653909 656866 718187 624798 882041 625982 605805 663560 582549 550379 835998 865469 935677 928210 935337 914528 543251 601141 614837 811720 895249 652262 944993 38597 35150 37609 1472.12m/z_5.96ri 15728 15682 20431 14118 18685 19263 19879 22021 14555 13344 12335 12620 32330 29334 30224 31567 12071 13740 14073 12657 14908 14404 15384 391 464 387 746.58m/z_6.29ri 2705819 2770081 3201062 2576459 2675011 2703138 2719263 2914690 2816427 2649506 2630463 2686979 3208388 3001247 3101238 3162072 2405748 2670944 2797638 2554361 2705430 2667787 2864359 9419 8385 8792 799.65m/z_6.33ri 267381 279349 328242 253877 271396 264543 254540 286163 270988 253602 251246 249054 292665 282851 283357 284595 220564 255256 269773 235467 266450 267153 297179 63870 57544 63981 796.62m/z_6.49ri 891618 930939 1177009 817067 913643 883883 889041 1005756 923823 839917 824215 854363 1006443 899733 930711 1008971 760019 877419 946931 809135 916353 886684 982655 23700 20849 21982 667.52m/z_6.57ri 26068 25944 34490 27577 15952 18472 17716 18118 46861 44727 41518 48686 16730 22891 18823 20024 33572 38916 40759 37100 35442 37717 36375 1788 1524 1516 838.64m/z_6.69ri 258588 270850 338910 236366 199027 199288 200288 219290 311609 281981 278558 288508 240021 214026 224928 238169 259462 313661 331011 290246 308860 297228 344459 14933 13804 15111 864.65m/z_6.76ri 185581 185298 244485 160980 119840 115728 116221 127702 244085 219824 216679 218250 87965 79295 81437 82649 182884 223228 247371 211806 224205 216707 248380 3424 2846 2679 594.58m/z_6.93ri 70558 76222 103971 68056 62997 62761 63001 77856 24673 21407 21526 21467 54841 49922 51243 51904 33159 38029 42698 35874 67919 66606 79749 1504 1329 1480 656.58m/z_7.26ri 41887 44072 58330 38651 30838 30919 30509 35438 23139 21810 22348 21582 30249 28444 28369 29741 26566 32576 36787 31098 48143 48435 56853 1811 1869 1916 892.68m/z_7.39ri 120186 120704 160385 104286 63910 63685 62599 67748 209154 185261 183251 188018 46581 42524 44542 44059 149159 177025 190871 167292 157319 153911 174379 2079 3830 2180 537.52m/z_7.4ri 19196 18493 25355 18405 12603 14141 13182 14744 29627 23167 23192 25178 9337 9360 9197 10814 18561 21777 23542 20374 20068 20186 23462 2365 323 422 640.58m/z_7.51ri 103403 110743 142363 101648 91243 94452 89057 104729 164552 144029 140201 152662 132009 146768 144629 157834 108004 131966 141485 117469 127553 135124 139189 4863 4127 5033 830.7m/z_7.71ri 142592 140301 182155 133355 90677 93238 88823 101957 179525 163568 165049 162249 55822 50775 51893 54471 136344 166602 186469 156339 162973 165602 187351 3678 3704 3679 856.71m/z_7.79ri 138393 138065 172454 116751 123789 119029 120408 132317 144323 134256 129901 131198 90730 80686 83556 90052 110482 130936 144598 127684 136728 128598 144616 4100 2662 2794 1395.94m/z_9.14ri 17615 17963 26429 14895 13406 12980 12353 15190 16828 15210 15949 15763 9703 9146 9491 9399 12634 16445 18331 15168 15711 15866 20458 674 860 723 1399.96m/z_9.21ri 19400 20328 30907 18229 16572 16641 16438 20947 18251 15097 16360 17755 17370 17331 17489 17487 13522 18955 20201 16516 18025 18354 24421 814 764 814 868.74m/z_9.64ri 20454 25102 32369 21922 20339 19857 21301 26532 14059 13410 12004 14203 50672 45184 48949 43927 17559 18506 20093 17474 26383 23919 32613 15506 15571 17264 780.7m/z_9.67ri 17837 20760 27358 18900 23013 21188 21537 24921 11915 10917 11177 12769 42488 37376 38386 37612 15265 14860 16580 13883 20180 17563 22298 4669 4536 4987 811.68m/z_9.72ri 17730 20895 26182 16935 16394 14941 15710 18135 14327 13158 12585 13799 29208 25625 26742 25548 17025 16307 19756 16169 23145 20845 25122 5471 4960 5223 1425.98m/z_9.89ri 14302 16007 22098 12737 10503 9155 9492 10550 27676 23387 23914 25728 18701 18041 17960 19160 18679 24231 27193 21589 19133 18564 22330 641 1168 994 1451.99m/z_9.92ri 84664 90389 127024 76549 64334 57309 60638 70883 105054 87846 93093 95610 66404 65098 64710 66657 75366 100849 107045 90423 92433 89987 110165 2352 3377 2949 1456.03m/z_9.96ri 33656 37779 51648 32494 29687 26978 26487 32727 38921 33321 36151 37508 43976 43630 43672 41591 31306 38880 40975 34788 38404 36187 44990 1381 1862 1540 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-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 770.6 5.81 Fiehn 16759365 1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 746.6 5.84 Fiehn 24779266 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine 728.56 6.04 Fiehn 9546742 Benzyl dodecyl dimethylammonium cation 304.3 0.99 Fiehn Benzyl tetradecyl dimethylammonium cation 332.33 1.45 Fiehn CE (16:1) 645.55 10.3 Fiehn CE (18:1) 673.59 10.85 Fiehn Ceramide (d18:1/23:0) 636.63 7.91 Fiehn Ceramide (d40:1) 622.61 7.59 Fiehn Ceramide (d42:1) 650.64 8.23 Fiehn Ceramide (d42:2) 648.63 7.57 Fiehn Cholesterol 369.35 4.78 Fiehn DG (34:1) 617.51 6.84 Fiehn DG (36:2) 643.53 6.9 Fiehn DG (36:3) 641.52 6.44 Fiehn DG 38:4;DG(18:0/20:4/0:0) 662.57 6.86 Fiehn DG (38:5) 660.55 6.23 Fiehn Dioctyl phthalate 413.27 3.42 Fiehn 8343 GlcCer (40:1) 784.66 6.93 Fiehn GlcCer (42:1) 812.69 7.59 Fiehn GlcCer (42:2) 810.67 6.89 Fiehn Lactosylceramide (d18:1/24:1(15Z)) 972.73 6.64 Fiehn 20057309 LPC (16:0) 496.34 1.45 Fiehn 10917802 LPC (18:0) 524.37 2.2 Fiehn 24779527 LPC (18:1) 522.36 1.49 Fiehn 53480465 N-(15Z-tetracosenoyl)-1-.beta.-galactosyl-sphing-4-enine 810.67 7.4 Fiehn N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholine 813.68 6.64 Fiehn PC (18:1/16:0) 760.58 5.45 Fiehn PC (28:0) 678.51 4.19 Fiehn PC (30:0) 706.54 4.77 Fiehn PC (30:1) 704.53 4.27 Fiehn PC (32:0) 756.56 5.36 Fiehn PC (32:1) 732.55 4.84 Fiehn PC (32:1)_2 754.54 4.85 Fiehn PC (32:2) 730.54 4.37 Fiehn PC (32:3) 728.53 4.76 Fiehn PC (33:1) 746.57 5.15 Fiehn PC (33:2) 744.56 4.65 Fiehn PC (34:2) 758.57 4.93 Fiehn PC (34:3) 756.55 4.59 Fiehn PC (35:2) 772.59 5.24 Fiehn PC (35:3) 770.56 4.77 Fiehn PC (36:1) 788.62 6.11 Fiehn PC (36:2) 786.6 5.53 Fiehn PC (36:3) A 784.58 5.06 Fiehn PC (36:4) 804.56 4.9 Fiehn PC (36:5) 780.55 4.45 Fiehn PC (36:5) C 780.55 4.95 Fiehn PC (36:6) A 778.55 4.19 Fiehn PC (37:2) 800.62 5.84 Fiehn PC (37:3) 798.6 5.48 Fiehn PC (38:2) 814.63 6.14 Fiehn PC (38:3) 812.61 5.65 Fiehn PC (38:5) A 808.58 4.95 Fiehn PC (38:6) 828.56 4.74 Fiehn PC (38:6) B 806.57 5.07 Fiehn PC (38:7) 804.56 4.26 Fiehn PC (40:1) 844.68 7.32 Fiehn PC (40:3) 840.64 6.27 Fiehn PC (40:5) A 836.61 5.5 Fiehn PC (40:6) A 834.6 4.98 Fiehn PC (40:7) 832.59 4.79 Fiehn PC (40:8) 830.58 4.42 Fiehn PC (42:10) 854.58 4.29 Fiehn PC (42:5) 864.64 6.07 Fiehn PC (42:6) 862.63 5.58 Fiehn PC-O (32:0) (plasmanyl/plasmenyl) 720.59 5.78 Fiehn PC-O (34:0) (plasmanyl/plasmenyl) 748.61 6.46 Fiehn PC-O (34:2) (plasmanyl/plasmenyl) A 744.59 5.31 Fiehn PC-O (36:2) (plasmanyl/plasmenyl) 772.62 5.9 Fiehn PC-O (36:3) (plasmanyl/plasmenyl) 770.6 5.58 Fiehn PC-O (36:4) (plasmanyl/plasmenyl) 768.59 5.26 Fiehn PC-O (36:5) (plasmanyl/plasmenyl) 766.57 5.13 Fiehn PC-O (38:5) (plasmanyl/plasmenyl) A 794.6 5.3 Fiehn PC-O (38:5) (plasmanyl/plasmenyl) B 794.6 5.9 Fiehn PC-O (38:6) (plasmanyl/plasmenyl) 792.59 5.11 Fiehn PC-O (40:5) (plasmanyl/plasmenyl) 822.63 5.92 Fiehn PC-O (40:7) (plasmanyl/plasmenyl) A 818.6 5.13 Fiehn PC-O (40:7) (plasmanyl/plasmenyl) B 818.6 5.61 Fiehn PC-O (40:8) (plasmanyl/plasmenyl) 816.59 5.33 Fiehn PC-O (42:5) (plasmanyl/plasmenyl) 850.66 6.59 Fiehn PC-O (44:5) (plasmanyl/plasmenyl) 878.7 7.21 Fiehn PE-O (36:5) (plasmanyl/plasmenyl) 724.53 5.35 Fiehn PE-O (38:5) (plasmanyl/plasmenyl) 752.56 5.98 Fiehn PE-O (38:6) (plasmanyl/plasmenyl) 750.54 5.38 Fiehn PE-O (40:6) (plasmanyl/plasmenyl) 778.57 5.99 Fiehn plasmenyl-PC 34:0 768.57 5.72 Fiehn plasmenyl-PC 36:3 790.57 5.54 Fiehn plasmenyl-PE 34:1 702.54 5.95 Fiehn plasmenyl-PE 34:2 700.53 5.39 Fiehn plasmenyl-PE 36:1 730.58 6.63 Fiehn plasmenyl-PE 36:2 750.54 5.98 Fiehn plasmenyl-PE 38:1 758.61 7.24 Fiehn plasmenyl-PE 38:2 756.59 6.65 Fiehn plasmenyl-PE 38:3 754.58 6.26 Fiehn plasmenyl-PE 40:4 780.59 6.6 Fiehn PS (36:2) 788.55 5.03 Fiehn PS (38:3) 814.57 5.14 Fiehn PS (38:4) 812.55 5.02 Fiehn SM (34:1) 725.55 4.69 Fiehn SM (d18:1/14:0) 675.54 4.1 Fiehn 11433862 SM (d18:1/16:1) 701.55 4.2 Fiehn 52931145 SM (d40:1) 787.66 6.67 Fiehn SM (d40:2) A 785.65 6.02 Fiehn SM (d42:1) 815.7 7.33 Fiehn SM (d44:2) 841.71 7.3 Fiehn TG (14:0/14:0/14:0) 745.63 9.41 Fiehn 11148 TG (44:1) 771.64 9.44 Fiehn TG (46:0) 796.74 10.36 Fiehn TG (46:1) 799.68 9.92 Fiehn TG (46:2) 797.66 9.48 Fiehn TG (48:0) 829.72 10.77 Fiehn TG (48:1) 827.71 10.36 Fiehn TG (48:2) 825.69 9.96 Fiehn TG (48:3) 823.68 9.55 Fiehn TG (49:0) 838.79 10.95 Fiehn TG (49:1) 841.73 10.59 Fiehn TG (49:2) 839.71 10.18 Fiehn TG (50:0) 857.75 11.2 Fiehn TG (50:1) 855.74 10.77 Fiehn TG (50:2) 853.73 10.4 Fiehn TG (50:3) 851.71 9.99 Fiehn TG (50:4) 849.69 9.63 Fiehn TG (51:1) 864.8 10.98 Fiehn TG (51:2) 867.74 10.59 Fiehn TG (51:3) 865.72 10.22 Fiehn TG (52:0) 885.78 11.56 Fiehn TG (52:1) 883.77 11.18 Fiehn TG (52:2) 881.76 10.78 Fiehn TG (52:3) 879.74 10.43 Fiehn TG (52:4) 877.73 10.08 Fiehn TG (52:5) 875.71 9.83 Fiehn TG (53:1) 897.78 11.36 Fiehn TG (53:2) 895.77 11 Fiehn TG (53:3) 893.75 10.62 Fiehn TG (54:1) 911.8 11.54 Fiehn TG (54:2) 909.79 11.18 Fiehn TG (54:3) 907.77 10.82 Fiehn TG (54:4) 905.76 10.48 Fiehn TG (54:5) 903.74 10.25 Fiehn TG (54:6) 901.73 9.84 Fiehn TG 54:7;TG(16:0/18:2/20:5) 894.75 9.67 Fiehn TG (55:1) 920.86 11.7 Fiehn TG (55:3) 916.83 10.97 Fiehn TG (56:1) 939.83 11.82 Fiehn TG (56:2) 937.82 11.52 Fiehn TG (56:3) 935.8 11.17 Fiehn TG (56:4) 933.79 10.9 Fiehn TG (56:5) 931.78 10.57 Fiehn TG (56:6) 929.76 10.31 Fiehn TG (56:7) 927.75 10.13 Fiehn TG (56:8) 925.73 9.71 Fiehn TG (58:2) 965.85 11.81 Fiehn TG (58:3) 963.84 11.53 Fiehn TG (58:4) A 961.82 11.26 Fiehn TG (58:5) 954.84 10.92 Fiehn TG (58:6) 957.79 10.69 Fiehn TG 58:7;TG(18:0/18:2/22:5) 950.81 10.32 Fiehn TG (58:8) 953.76 10.15 Fiehn TG (60:2) 993.89 11.96 Fiehn TG 60:3;TG(20:1/20:1/20:1) 986.91 11.81 Fiehn TG (60:5) 982.88 11.28 Fiehn TG 62:3;TG(18:1/22:1/22:1) 1014.95 11.96 Fiehn TG 66:3;TG(22:1/22:1/22:1) 1071 12.12 Fiehn Ceramide (d18:1/23:0) 636.63 7.91 CSH_posESI #015 279.16 3.41 CSH_posESI #017 549.49 10.39 CSH_posESI #022 615.49 6.25 CSH_posESI #037 858.6 5.56 CSH_posESI #056 694.67 8.23 CSH_posESI #081 951.78 11.16 CSH_posESI #091 902.7 6.99 CSH_posESI #098 813.64 9.48 CSH_posESI #106 790.57 5.28 CSH_posESI #116 885.68 9.38 CSH_posESI #124 864.53 5.02 CSH_posESI #130 903.66 6.65 CSH_posESI #134 895.72 10.44 CSH_posESI #141 899.75 11.18 CSH_posESI #142 435.32 3.42 CSH_posESI #156 803.54 3.42 CSH_posESI #164 841.67 @ CSH_posESI #170 867.68 10.01 CSH_posESI #176 551.5 10.78 CSH_posESI #196 897.74 10.77 CSH_posESI #197 876.68 6.58 CSH_posESI #201 369.35 10.31 CSH_posESI #203 925.77 11.18 CSH_posESI #211 893.7 10.07 CSH_posESI #215 808.74 10.15 CSH_posESI #230 848.54 4.95 CSH_posESI #232 1162.86 5.45 CSH_posESI #261 1516.13 4.93 CSH_posESI #270 627.54 4.84 CSH_posESI #275 887.57 4.87 CSH_posESI #282 577.52 10.8 CSH_posESI #285 876.58 5.57 CSH_posESI #286 1159.83 4.93 CSH_posESI #288 577.52 4.77 CSH_posESI #290 866.55 5.56 CSH_posESI #293 776.57 4.8 CSH_posESI #296 603.53 4.87 CSH_posESI #298 603.53 10.8 CSH_posESI #301 850.56 5.43 CSH_posESI #303 874.56 5.06 CSH_posESI #308 878.59 6.09 CSH_posESI #364 854.69 7.32 PC-O (40:8) (plasmanyl/plasmenyl) 816.59 5.33 348.32m/z_0.63ri 348.32 0.63 409.17m/z_0.72ri 409.17 0.72 431.23m/z_0.72ri 431.23 0.72 387.19m/z_0.73ri 387.19 0.73 300.29m/z_1.26ri 300.29 1.26 480.31m/z_1.53ri 480.31 1.53 550.35m/z_1.68ri 550.35 1.68 482.37m/z_1.73ri 482.37 1.73 546.36m/z_2.19ri 546.36 2.19 367.33m/z_3.29ri 367.33 3.29 401.34m/z_3.33ri 401.34 3.33 823.65m/z_3.36ri 823.65 3.36 391.29m/z_3.42ri 391.29 3.42 149.02m/z_3.42ri 149.02 3.42 673.52m/z_3.68ri 673.52 3.68 622.48m/z_3.73ri 622.48 3.73 592.47m/z_3.76ri 592.47 3.76 774.57m/z_3.91ri 774.57 3.91 776.58m/z_3.92ri 776.58 3.92 636.49m/z_3.96ri 636.49 3.96 800.58m/z_3.97ri 800.58 3.97 586.55m/z_4.05ri 586.55 4.05 612.57m/z_4.08ri 612.57 4.08 697.52m/z_4.12ri 697.52 4.12 723.53m/z_4.21ri 723.53 4.21 748.55m/z_4.24ri 748.55 4.24 549.49m/z_4.26ri 549.49 4.26 429.37m/z_4.26ri 429.37 4.26 726.51m/z_4.28ri 726.51 4.28 794.51m/z_4.31ri 794.51 4.31 599.5m/z_4.32ri 599.5 4.32 831.53m/z_4.33ri 831.53 4.33 776.57m/z_4.35ri 776.57 4.35 575.5m/z_4.35ri 575.5 4.35 820.53m/z_4.37ri 820.53 4.37 694.52m/z_4.37ri 694.52 4.37 625.52m/z_4.37ri 625.52 4.37 907.53m/z_4.38ri 907.53 4.38 752.53m/z_4.38ri 752.53 4.38 689.55m/z_4.39ri 689.55 4.39 885.55m/z_4.39ri 885.55 4.39 711.54m/z_4.4ri 711.54 4.4 852.57m/z_4.4ri 852.57 4.4 802.56m/z_4.42ri 802.56 4.42 662.5m/z_4.44ri 662.5 4.44 609.53m/z_4.49ri 609.53 4.49 688.51m/z_4.5ri 688.51 4.5 856.59m/z_4.5ri 856.59 4.5 601.51m/z_4.53ri 601.51 4.53 718.54m/z_4.56ri 718.54 4.56 589.51m/z_4.56ri 589.51 4.56 690.54m/z_4.58ri 690.54 4.58 585.52m/z_4.61ri 585.52 4.61 778.55m/z_4.61ri 778.55 4.61 339.29m/z_4.64ri 339.29 4.64 697.49m/z_4.64ri 697.49 4.64 712.53m/z_4.65ri 712.53 4.65 871.57m/z_4.66ri 871.57 4.66 611.54m/z_4.67ri 611.54 4.67 703.57m/z_4.68ri 703.57 4.68 1428.12m/z_4.69ri 1428.12 4.69 793.55m/z_4.69ri 793.55 4.69 797.54m/z_4.71ri 797.54 4.71 676.52m/z_4.75ri 676.52 4.75 651.53m/z_4.76ri 651.53 4.76 1081.79m/z_4.76ri 1081.79 4.76 1434.06m/z_4.76ri 1434.06 4.76 551.5m/z_4.76ri 551.5 4.76 738.54m/z_4.77ri 738.54 4.77 796.52m/z_4.78ri 796.52 4.78 751.56m/z_4.79ri 751.56 4.79 854.57m/z_4.79ri 854.57 4.79 1412.07m/z_4.8ri 1412.07 4.8 859.54m/z_4.8ri 859.54 4.8 678.53m/z_4.81ri 678.53 4.81 741.54m/z_4.81ri 741.54 4.81 1438.09m/z_4.83ri 1438.09 4.83 766.56m/z_4.84ri 766.56 4.84 790.58m/z_4.84ri 790.58 4.84 1464.11m/z_4.84ri 1464.11 4.84 822.53m/z_4.85ri 822.53 4.85 863.57m/z_4.85ri 863.57 4.85 1486.09m/z_4.86ri 1486.09 4.86 735.56m/z_4.87ri 735.56 4.87 885.55m/z_4.87ri 885.55 4.87 1120.81m/z_4.87ri 1120.81 4.87 836.56m/z_4.87ri 836.56 4.87 909.55m/z_4.88ri 909.55 4.88 1133.32m/z_4.88ri 1133.32 4.88 653.55m/z_4.89ri 653.55 4.89 1512.1m/z_4.89ri 1512.1 4.89 783.57m/z_4.9ri 783.57 4.9 1133.82m/z_4.9ri 1133.82 4.9 764.54m/z_4.91ri 764.54 4.91 664.49m/z_4.91ri 664.49 4.91 1146.82m/z_4.92ri 1146.82 4.92 722.54m/z_4.93ri 722.54 4.93 1538.11m/z_4.94ri 1538.11 4.94 700.57m/z_4.94ri 700.57 4.94 1480.11m/z_4.95ri 1480.11 4.95 771.53m/z_4.95ri 771.53 4.95 830.57m/z_4.95ri 830.57 4.95 762.55m/z_4.96ri 762.55 4.96 790.57m/z_4.99ri 790.57 4.99 1566.14m/z_4.99ri 1566.14 4.99 856.58m/z_5.01ri 856.58 5.01 537.52m/z_5.05ri 537.52 5.05 721.56m/z_5.06ri 721.56 5.06 591.54m/z_5.07ri 591.54 5.07 823.57m/z_5.09ri 823.57 5.09 563.53m/z_5.09ri 563.53 5.09 629.54m/z_5.11ri 629.54 5.11 840.58m/z_5.12ri 840.58 5.12 617.55m/z_5.13ri 617.55 5.13 748.55m/z_5.16ri 748.55 5.16 764.55m/z_5.21ri 764.55 5.21 1458.12m/z_5.23ri 1458.12 5.23 774.57m/z_5.24ri 774.57 5.24 884.58m/z_5.29ri 884.58 5.29 674.51m/z_5.32ri 674.51 5.32 731.6m/z_5.33ri 731.6 5.33 696.49m/z_5.34ri 696.49 5.34 753.58m/z_5.34ri 753.58 5.34 704.55m/z_5.35ri 704.55 5.35 820.61m/z_5.35ri 820.61 5.35 706.57m/z_5.36ri 706.57 5.36 842.6m/z_5.36ri 842.6 5.36 1480.1m/z_5.37ri 1480.1 5.37 735.57m/z_5.38ri 735.57 5.38 730.56m/z_5.38ri 730.56 5.38 1500.1m/z_5.38ri 1500.1 5.38 1474.08m/z_5.38ri 1474.08 5.38 1490.12m/z_5.39ri 1490.12 5.39 860.62m/z_5.39ri 860.62 5.39 887.57m/z_5.4ri 887.57 5.4 1506.1m/z_5.4ri 1506.1 5.4 824.55m/z_5.4ri 824.55 5.4 1468.13m/z_5.4ri 1468.13 5.4 1485.12m/z_5.41ri 1485.12 5.41 1484.11m/z_5.41ri 1484.11 5.41 1510.12m/z_5.42ri 1510.12 5.42 1516.13m/z_5.42ri 1516.13 5.42 631.56m/z_5.42ri 631.56 5.42 1494.15m/z_5.43ri 1494.15 5.43 1149.84m/z_5.43ri 1149.84 5.43 782.58m/z_5.43ri 782.58 5.43 840.56m/z_5.43ri 840.56 5.43 1532.12m/z_5.44ri 1532.12 5.44 1542.14m/z_5.45ri 1542.14 5.45 1543.15m/z_5.45ri 1543.15 5.45 776.56m/z_5.46ri 776.56 5.46 1536.14m/z_5.46ri 1536.14 5.46 1520.17m/z_5.46ri 1520.17 5.46 605.55m/z_5.47ri 605.55 5.47 732.58m/z_5.48ri 732.58 5.48 1175.86m/z_5.48ri 1175.86 5.48 1550.15m/z_5.49ri 1550.15 5.49 1569.15m/z_5.5ri 1569.15 5.5 1188.87m/z_5.52ri 1188.87 5.52 1580.13m/z_5.52ri 1580.13 5.52 1576.16m/z_5.52ri 1576.16 5.52 1572.18m/z_5.53ri 1572.18 5.53 1581.13m/z_5.53ri 1581.13 5.53 1594.17m/z_5.54ri 1594.17 5.54 1598.15m/z_5.54ri 1598.15 5.54 1595.17m/z_5.55ri 1595.17 5.55 692.54m/z_5.55ri 692.54 5.55 780.59m/z_5.56ri 780.59 5.56 799.57m/z_5.56ri 799.57 5.56 758.6m/z_5.56ri 758.6 5.56 748.58m/z_5.6ri 748.58 5.6 1458.06m/z_5.61ri 1458.06 5.61 816.59m/z_5.61ri 816.59 5.61 728.58m/z_5.62ri 728.58 5.62 1436.08m/z_5.63ri 1436.08 5.63 1530.13m/z_5.63ri 1530.13 5.63 740.55m/z_5.64ri 740.55 5.64 718.57m/z_5.66ri 718.57 5.66 1534.11m/z_5.67ri 1534.11 5.67 1510.12m/z_5.67ri 1510.12 5.67 688.52m/z_5.67ri 688.52 5.67 1488.13m/z_5.68ri 1488.13 5.68 1512.13m/z_5.68ri 1512.13 5.68 1532.11m/z_5.69ri 1532.11 5.69 706.57m/z_5.72ri 706.57 5.72 711.53m/z_5.74ri 711.53 5.74 744.58m/z_5.74ri 744.58 5.74 1440.17m/z_5.75ri 1440.17 5.75 766.56m/z_5.76ri 766.56 5.76 742.57m/z_5.77ri 742.57 5.77 1466.18m/z_5.8ri 1466.18 5.8 1128.87m/z_5.81ri 1128.87 5.81 776.59m/z_5.81ri 776.59 5.81 792.6m/z_5.81ri 792.6 5.81 846.63m/z_5.82ri 846.63 5.82 1492.2m/z_5.82ri 1492.2 5.82 1141.38m/z_5.84ri 1141.38 5.84 1514.18m/z_5.84ri 1514.18 5.84 1540.18m/z_5.86ri 1540.18 5.86 1141.87m/z_5.86ri 1141.87 5.86 1154.39m/z_5.87ri 1154.39 5.87 1154.88m/z_5.87ri 1154.88 5.87 862.6m/z_5.9ri 862.6 5.9 676.53m/z_5.91ri 676.53 5.91 1126.04m/z_5.91ri 1126.04 5.91 561.52m/z_5.92ri 561.52 5.92 839.63m/z_5.92ri 839.63 5.92 1525.17m/z_5.92ri 1525.17 5.92 1499.15m/z_5.92ri 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819.78m/z_11.32ri 819.78 11.32 810.78m/z_11.32ri 810.78 11.32 563.54m/z_11.32ri 563.54 11.32 888.83m/z_11.33ri 888.83 11.33 893.81m/z_11.33ri 893.81 11.33 1661.54m/z_11.33ri 1661.54 11.33 944.86m/z_11.33ri 944.86 11.33 537.52m/z_11.33ri 537.52 11.33 1635.52m/z_11.34ri 1635.52 11.34 918.84m/z_11.34ri 918.84 11.34 949.82m/z_11.35ri 949.82 11.35 923.8m/z_11.35ri 923.8 11.35 831.72m/z_11.36ri 831.72 11.36 829.75m/z_11.43ri 829.75 11.43 855.77m/z_11.44ri 855.77 11.44 969.82m/z_11.46ri 969.82 11.46 577.54m/z_11.47ri 577.54 11.47 881.81m/z_11.52ri 881.81 11.52 940.85m/z_11.52ri 940.85 11.52 953.79m/z_11.52ri 953.79 11.52 979.81m/z_11.53ri 979.81 11.53 914.84m/z_11.54ri 914.84 11.54 850.81m/z_11.54ri 850.81 11.54 966.86m/z_11.54ri 966.86 11.54 927.78m/z_11.55ri 927.78 11.55 985.9m/z_11.55ri 985.9 11.55 973.88m/z_11.58ri 973.88 11.58 876.82m/z_11.59ri 876.82 11.59 895.82m/z_11.65ri 895.82 11.65 617.59m/z_11.67ri 617.59 11.67 921.85m/z_11.67ri 921.85 11.67 890.85m/z_11.68ri 890.85 11.68 591.57m/z_11.68ri 591.57 11.68 873.82m/z_11.68ri 873.82 11.68 916.86m/z_11.69ri 916.86 11.69 869.79m/z_11.69ri 869.79 11.69 946.88m/z_11.69ri 946.88 11.69 972.89m/z_11.7ri 972.89 11.7 551.51m/z_11.72ri 551.51 11.72 565.56m/z_11.72ri 565.56 11.72 883.8m/z_11.78ri 883.8 11.78 942.87m/z_11.78ri 942.87 11.78 857.78m/z_11.78ri 857.78 11.78 1007.86m/z_11.8ri 1007.86 11.8 991.87m/z_11.8ri 991.87 11.8 605.57m/z_11.81ri 605.57 11.81 981.83m/z_11.81ri 981.83 11.81 997.86m/z_11.81ri 997.86 11.81 878.84m/z_11.84ri 878.84 11.84 1028.94m/z_11.86ri 1028.94 11.86 904.85m/z_11.87ri 904.85 11.87 932.89m/z_11.99ri 932.89 11.99 927.87m/z_12.04ri 927.87 12.04 948.92m/z_12.06ri 948.92 12.06 974.94m/z_12.07ri 974.94 12.07 923.92m/z_12.07ri 923.92 12.07 953.88m/z_12.07ri 953.88 12.07 1029.98m/z_12.08ri 1029.98 12.08 701.68m/z_12.09ri 701.68 12.09 979.92m/z_12.09ri 979.92 12.09 957.91m/z_12.09ri 957.91 12.09 675.66m/z_12.1ri 675.66 12.1 931.89m/z_12.11ri 931.89 12.11 649.65m/z_12.11ri 649.65 12.11 1099.03m/z_12.16ri 1099.03 12.16 1030.99m/z_12.18ri 1030.99 12.18 1101.01m/z_12.26ri 1101.01 12.26 332.28m/z_0.86ri 332.28 0.86 810.75m/z_10.57ri 810.75 10.57 813.73m/z_10.93ri 813.73 10.93 867.78m/z_11.31ri 867.78 11.31 836.8m/z_11.32ri 836.8 11.32 793.76m/z_11.33ri 793.76 11.33 864.83m/z_11.69ri 864.83 11.69 537.52m/z_11.7ri 537.52 11.7 843.77m/z_11.7ri 843.77 11.7 908.86m/z_11.83ri 908.86 11.83 835.56m/z_4.33ri 835.56 4.33 692.53m/z_4.47ri 692.53 4.47 664.52m/z_4.53ri 664.52 4.53 712.53m/z_5.03ri 712.53 5.03 738.54m/z_5.12ri 738.54 5.12 714.54m/z_5.13ri 714.54 5.13 740.56m/z_5.19ri 740.56 5.19 832.59m/z_5.23ri 832.59 5.23 1568.14m/z_5.49ri 1568.14 5.49 520.51m/z_5.57ri 520.51 5.57 1526.11m/z_5.6ri 1526.11 5.6 1486.12m/z_5.64ri 1486.12 5.64 1484.09m/z_5.65ri 1484.09 5.65 842.59m/z_5.72ri 842.59 5.72 779.57m/z_5.96ri 779.57 5.96 1472.12m/z_5.96ri 1472.12 5.96 746.58m/z_6.29ri 746.58 6.29 799.65m/z_6.33ri 799.65 6.33 796.62m/z_6.49ri 796.62 6.49 667.52m/z_6.57ri 667.52 6.57 838.64m/z_6.69ri 838.64 6.69 864.65m/z_6.76ri 864.65 6.76 594.58m/z_6.93ri 594.58 6.93 656.58m/z_7.26ri 656.58 7.26 892.68m/z_7.39ri 892.68 7.39 537.52m/z_7.4ri 537.52 7.4 640.58m/z_7.51ri 640.58 7.51 830.7m/z_7.71ri 830.7 7.71 856.71m/z_7.79ri 856.71 7.79 1395.94m/z_9.14ri 1395.94 9.14 1399.96m/z_9.21ri 1399.96 9.21 868.74m/z_9.64ri 868.74 9.64 780.7m/z_9.67ri 780.7 9.67 811.68m/z_9.72ri 811.68 9.72 1425.98m/z_9.89ri 1425.98 9.89 1451.99m/z_9.92ri 1451.99 9.92 1456.03m/z_9.96ri 1456.03 9.96 METABOLITES_END #END