#METABOLOMICS WORKBENCH tkind_20140623_9350881_mwtab.txt DATATRACK_ID:123 STUDY_ID:ST000075 ANALYSIS_ID:AN000120 PROJECT_ID:PR000054 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Combined Metabolomics and Lipidomics of Type 1 Diabetes PR:PROJECT_TYPE MS study PR:PROJECT_SUMMARY This West Coast Metabolomics Center pilot and feasibility project granted to PR:PROJECT_SUMMARY Bell (University of Chicago) and collaborator Manami Hara uses a multi-omics PR:PROJECT_SUMMARY to investigate the metabolome (primary metabolites), lipidome (complex lipids) PR:PROJECT_SUMMARY signaling lipids (oxylipins) in the plasma of Non-obese Diabetic (NOD) mice PR:PROJECT_SUMMARY progressed to Type 1 Diabetes Mellitus (T1D) and those that did not. NOD Mice PR:PROJECT_SUMMARY were assessed as diabetic or non-diabetic based on their fasting (4hr) blood PR:PROJECT_SUMMARY levels at sacrifice, which defined 30 hyperglycemic (glucose = 250 mg/dL) and PR:PROJECT_SUMMARY normoglycemic animals. The primary objective of this study was to identify PR:PROJECT_SUMMARY biomarkers associated with beta-cell destruction/survival and T1D progression. 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 Combined Metabolomics and Lipidomics of Type 1 Diabetes (QTOF) ST:STUDY_TYPE biomarker study ST:STUDY_SUMMARY This West Coast Metabolomics Center pilot and feasibility project granted to ST:STUDY_SUMMARY Bell (University of Chicago) and collaborator Manami Hara uses a multi-omics ST:STUDY_SUMMARY to investigate the metabolome (primary metabolites), lipidome (complex lipids) ST:STUDY_SUMMARY signaling lipids (oxylipins) in the plasma of Non-obese Diabetic (NOD) mice ST:STUDY_SUMMARY progressed to Type 1 Diabetes Mellitus (T1D) and those that did not. NOD Mice ST:STUDY_SUMMARY were assessed as diabetic or non-diabetic based on their fasting (4hr) blood ST:STUDY_SUMMARY levels at sacrifice, which defined 30 hyperglycemic (glucose = 250 mg/dL) and ST:STUDY_SUMMARY normoglycemic animals. The primary objective of this study was to identify ST:STUDY_SUMMARY biomarkers associated with beta-cell destruction/survival and T1D progression. 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 Plasma SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:SPECIES_GROUP Mammal #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Inj003_Manami_7_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj004_Manami_52_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj005_Manami_40_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj006_Manami_76_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj010_Manami_63_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj011_Manami_55_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj012_Manami_73_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj017_Manami_13_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj019_Manami_53_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj020_Manami_62_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj030_Manami_47_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj033_Manami_17_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj035_Manami_54_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj036_Manami_19_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj039_Manami_15_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj043_Manami_49_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj048_Manami_10_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj050_Manami_20_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj052_Manami_56_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj054_Manami_4_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj055_Manami_12_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj056_Manami_67_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj058_Manami_32_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj061_Manami_36_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj062_Manami_25_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj063_Manami_6_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj064_Manami_30_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj068_Manami_37_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj069_Manami_60_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj071_Manami_57_CSHMS_6530B.d Diagnosis:diabetic SUBJECT_SAMPLE_FACTORS - Inj001_Manami_2_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj002_Manami_27_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj007_Manami_51_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj008_Manami_59_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj009_Manami_39_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj013_Manami_29_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj014_Manami_22_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj015_Manami_5_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj016_Manami_31_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj018_Manami_50_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj021_Manami_21_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj022_Manami_14_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj023_Manami_41_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj024_Manami_43_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj025_Manami_33_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj026_Manami_23_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj027_Manami_18_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj028_Manami_35_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj029_Manami_34_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj031_Manami_9_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj032_Manami_64_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj034_Manami_66_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj037_Manami_46_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj038_Manami_8_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj040_Manami_26_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj041_Manami_69_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj042_Manami_61_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj044_Manami_3_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj045_Manami_58_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj046_Manami_24_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj047_Manami_16_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj049_Manami_48_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj051_Manami_44_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj053_Manami_11_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj057_Manami_1_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj059_Manami_28_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj060_Manami_42_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj065_Manami_38_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj066_Manami_45_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj067_Manami_68_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Inj070_Manami_65_CSHMS_6530B.d Diagnosis:non-diabetic SUBJECT_SAMPLE_FACTORS - Biorec1_CSHMS_6530B.d Diagnosis:QC - quality check sample SUBJECT_SAMPLE_FACTORS - Biorec3_CSHMS_6530B.d Diagnosis:QC - quality check sample SUBJECT_SAMPLE_FACTORS - Biorec4_CSHMS_6530B.d Diagnosis:QC - quality check sample #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf #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:SOFTWARE_VERSION MassHunter AN:DETECTOR_TYPE TOF MCP AN:DATA_FORMAT .d #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 13 l/min MS:DRY_GAS_TEMP 200 MS:FRAGMENT_VOLTAGE 175 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Neg MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DATAFORMAT .d MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples Inj003_Manami_7_CSHMS_6530B.d Inj004_Manami_52_CSHMS_6530B.d Inj005_Manami_40_CSHMS_6530B.d Inj006_Manami_76_CSHMS_6530B.d Inj010_Manami_63_CSHMS_6530B.d Inj011_Manami_55_CSHMS_6530B.d Inj012_Manami_73_CSHMS_6530B.d Inj017_Manami_13_CSHMS_6530B.d Inj019_Manami_53_CSHMS_6530B.d Inj020_Manami_62_CSHMS_6530B.d Inj030_Manami_47_CSHMS_6530B.d Inj033_Manami_17_CSHMS_6530B.d Inj035_Manami_54_CSHMS_6530B.d Inj036_Manami_19_CSHMS_6530B.d Inj039_Manami_15_CSHMS_6530B.d Inj043_Manami_49_CSHMS_6530B.d Inj048_Manami_10_CSHMS_6530B.d Inj050_Manami_20_CSHMS_6530B.d Inj052_Manami_56_CSHMS_6530B.d Inj054_Manami_4_CSHMS_6530B.d Inj055_Manami_12_CSHMS_6530B.d Inj056_Manami_67_CSHMS_6530B.d Inj058_Manami_32_CSHMS_6530B.d Inj061_Manami_36_CSHMS_6530B.d Inj062_Manami_25_CSHMS_6530B.d Inj063_Manami_6_CSHMS_6530B.d Inj064_Manami_30_CSHMS_6530B.d Inj068_Manami_37_CSHMS_6530B.d Inj069_Manami_60_CSHMS_6530B.d Inj071_Manami_57_CSHMS_6530B.d Inj001_Manami_2_CSHMS_6530B.d Inj002_Manami_27_CSHMS_6530B.d Inj007_Manami_51_CSHMS_6530B.d Inj008_Manami_59_CSHMS_6530B.d Inj009_Manami_39_CSHMS_6530B.d Inj013_Manami_29_CSHMS_6530B.d Inj014_Manami_22_CSHMS_6530B.d Inj015_Manami_5_CSHMS_6530B.d Inj016_Manami_31_CSHMS_6530B.d Inj018_Manami_50_CSHMS_6530B.d Inj021_Manami_21_CSHMS_6530B.d Inj022_Manami_14_CSHMS_6530B.d Inj023_Manami_41_CSHMS_6530B.d Inj024_Manami_43_CSHMS_6530B.d Inj025_Manami_33_CSHMS_6530B.d Inj026_Manami_23_CSHMS_6530B.d Inj027_Manami_18_CSHMS_6530B.d Inj028_Manami_35_CSHMS_6530B.d Inj029_Manami_34_CSHMS_6530B.d Inj031_Manami_9_CSHMS_6530B.d Inj032_Manami_64_CSHMS_6530B.d Inj034_Manami_66_CSHMS_6530B.d Inj037_Manami_46_CSHMS_6530B.d Inj038_Manami_8_CSHMS_6530B.d Inj040_Manami_26_CSHMS_6530B.d Inj041_Manami_69_CSHMS_6530B.d Inj042_Manami_61_CSHMS_6530B.d Inj044_Manami_3_CSHMS_6530B.d Inj045_Manami_58_CSHMS_6530B.d Inj046_Manami_24_CSHMS_6530B.d Inj047_Manami_16_CSHMS_6530B.d Inj049_Manami_48_CSHMS_6530B.d Inj051_Manami_44_CSHMS_6530B.d Inj053_Manami_11_CSHMS_6530B.d Inj057_Manami_1_CSHMS_6530B.d Inj059_Manami_28_CSHMS_6530B.d Inj060_Manami_42_CSHMS_6530B.d Inj065_Manami_38_CSHMS_6530B.d Inj066_Manami_45_CSHMS_6530B.d Inj067_Manami_68_CSHMS_6530B.d Inj070_Manami_65_CSHMS_6530B.d Biorec1_CSHMS_6530B.d Biorec3_CSHMS_6530B.d Biorec4_CSHMS_6530B.d Factors Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:non-diabetic Diagnosis:QC - quality check sample Diagnosis:QC - quality check sample Diagnosis:QC - quality check sample Cer (d42:2) B 4849.3835 11573.5412 4330.1994 9123.8976 9025.8495 3825.8171 20908.3468 11485.5801 3224.5989 5716.5353 6184.7685 17470.7688 5369.1953 31125.1780 4311.5707 5433.3653 8497.7555 4424.7112 2523.4850 11341.4386 2662.3815 7616.8707 2595.8190 2708.4539 1472.8857 3412.1690 3493.1896 6025.1166 15089.8825 7479.1005 26291.8225 40729.2750 3576.7995 21125.1495 13660.0432 29615.1250 36490.9371 8968.0435 36604.8580 18054.1168 40765.6527 17569.7051 46494.9795 21454.0246 2557.4813 19459.5881 19871.1258 31978.0372 30906.5450 30678.3112 11974.3296 27966.1691 6141.2790 3402.3427 25526.1828 18517.3498 22390.1897 29347.5533 31890.1293 17181.5885 35676.7862 16935.2551 17825.1288 16390.2122 28174.4486 2227.4801 19199.4054 19163.7458 18173.4493 11255.7606 25185.6177 21754.9359 25358.0343 23030.4309 FA (18:1) 28377.3732 23324.7254 2210.1923 25914.2938 25686.8365 11155.0606 42884.4058 9404.1547 4587.3988 8973.6683 23317.0341 1712.4986 30272.4109 1827.3804 37535.3587 6355.0986 15906.3985 3512.9173 9461.7558 15198.2900 8306.3605 30169.0637 5201.8138 783.8670 1161.5534 7857.0074 27462.6478 15698.0951 56341.1620 21481.8683 6468.6835 15527.2375 1941.5932 68215.5978 17321.4845 27418.1932 9882.5091 15968.2985 29873.6781 32083.8615 12190.4790 10221.8800 14268.9584 25869.2237 6886.1062 14143.6642 23588.9482 25517.0541 10810.6392 9149.5841 27711.5764 30923.3641 29426.3234 2789.8833 9870.8491 15277.8758 38116.1362 20863.9100 42163.2864 12094.3145 17863.5031 19108.3784 50653.8434 3178.5463 12694.1708 1318.8082 39989.0662 11436.1963 35594.4362 31095.7686 36737.0530 19273.5477 18853.8973 17863.9109 FA (18:2) 42962.1047 26417.9895 1990.9494 38689.0604 42615.2954 23267.8652 44749.8669 15475.2551 9226.3810 13934.7815 41848.3117 1569.0799 41674.0339 1926.8443 71401.2809 12450.8506 29841.2990 3564.5225 15116.0165 28876.9044 14611.3689 50006.5923 5198.5293 990.2505 1359.3096 15432.8200 49089.8935 31696.6732 58574.9167 44423.3901 9274.5370 14629.7613 3213.4290 73774.4591 21120.7035 34797.9069 11960.6597 16323.9260 40417.5615 52634.1555 15780.1186 10020.0135 14270.0055 33386.1650 9624.9625 20606.2865 26103.4764 28891.7117 16449.0799 11081.4438 32771.1097 36102.0657 33478.6691 2045.9415 11750.8666 18311.6407 52099.0653 29778.4282 53301.4257 13093.7926 17444.5520 35642.0394 58979.7171 3818.1481 14469.4229 879.6982 52015.4661 15767.8557 41125.5704 41860.9586 45892.1189 18301.2380 17781.7824 17232.9491 LPC (16:0) 148205.8333 176549.7127 169453.7544 121318.0007 141767.4847 126621.6183 274484.7388 124378.7877 116470.0599 106531.5998 130468.9241 122225.1687 155574.4350 102049.8100 123093.4612 128469.0832 116563.6309 118066.9622 95296.1758 120757.4038 95990.5026 150329.9988 100546.8154 69178.6481 60490.0489 93358.0970 140444.5826 147089.4589 241212.2314 147944.5033 270737.3052 284359.3051 89158.2265 286600.5742 181603.0488 263584.2755 366867.1408 200958.0148 294816.3946 259746.0835 324545.3482 339913.6840 289670.4762 294990.4995 116575.1132 318426.5054 267802.2775 284111.5613 318736.2650 312472.8167 265105.8233 283868.4603 127954.5187 144875.6373 290337.4909 296829.3008 398615.2599 308030.9493 409899.0872 253515.1513 221236.3953 305429.4135 259995.3128 248353.4643 303564.0586 64166.1455 209436.3535 226819.9406 276880.6922 275801.3237 281100.0974 229841.3456 252442.2931 231977.0192 LPC (18:1) 17017.7349 31776.1257 19938.6256 12441.1264 15003.2244 16283.2141 45203.5051 16398.1104 18387.4981 11089.0524 15251.8486 25813.3845 18975.2908 35027.8915 14435.5325 20302.1859 25003.3397 11313.4638 11691.2316 13763.1589 20640.7046 16759.0504 13213.3904 10557.3250 9070.2691 11910.4690 17990.0248 17807.4305 43629.4390 22853.5572 34418.5008 40673.2572 12665.2347 36545.4778 34273.0236 44176.3230 48609.3789 17664.8085 45500.8864 48698.9812 53944.1293 91208.1595 90293.8940 57451.8580 14211.3500 43003.7711 50620.7813 47253.4777 50713.4341 55066.7796 37940.4595 47816.8224 21223.0162 17551.3686 40156.4677 41305.3746 57295.1080 44772.4905 57705.3579 39160.5577 35646.4167 44918.0171 56169.2181 32779.4695 43319.7397 10340.1643 33943.3670 44530.4963 53147.0921 39170.5170 46142.3193 34254.7143 36766.4455 36137.8818 LPC (18:2) 74719.4024 97315.7606 69052.3778 33818.4123 59273.7209 67173.9568 86139.3921 64305.3240 68060.4909 32430.6784 65972.0958 111157.7327 66067.0323 166236.3128 61849.5004 71993.1642 74198.7457 39531.7076 30207.4858 55160.7830 70719.6461 59245.1799 59739.5730 30103.6623 26943.8657 42504.2545 53087.1670 75989.4009 83438.9046 51180.1597 93775.7112 69149.5176 38345.2784 82808.3321 84013.1080 72654.4291 101006.7204 38844.2467 100607.7851 121896.6245 115658.6038 155046.7489 141058.5157 130108.3274 41154.0984 113676.2124 106511.0411 82996.7532 111374.1199 125751.4390 93834.4586 123680.1218 66281.9041 50459.1252 96612.5746 76719.9685 136523.9103 135543.9555 113264.6908 62383.3583 54521.5115 135319.5309 127580.8500 70598.7529 90494.5403 25904.4418 81184.1164 108045.9007 139329.3427 73562.9401 111756.0709 48723.4699 52468.4503 46450.5545 PC (34:2) 1100933.7770 453314.6361 582232.1250 958972.7567 848789.5568 993190.8027 1017415.3720 796905.4836 669002.2984 368855.0273 734380.5481 754752.8245 702464.9993 595290.7903 899698.3213 724104.4875 773335.0384 622260.9892 224755.4759 1043045.0960 832921.0777 613857.6400 433057.9102 169827.4227 264540.3843 765666.5852 874172.1615 784455.2254 956408.8732 357659.3939 963742.9763 1155400.0220 604857.0158 1136814.5490 415232.9911 714539.2472 1100646.6520 316255.1027 1012716.9170 972352.5111 1092717.7000 804936.4065 696634.5130 997998.8628 506983.3352 910330.6580 985314.5776 918021.2713 919343.3351 1130858.6150 541174.5323 1021693.6930 244626.4461 480030.1251 1033683.6390 632361.5981 1075673.6320 1180423.2260 1228107.7500 573761.7288 727311.7089 872250.6478 954783.2046 1063896.8030 898866.0747 421220.3220 674119.2826 526590.3391 1114630.1580 629895.3207 1113659.3190 471370.5063 519461.2422 467739.7836 PC (35:2) 59188.2299 14277.8128 23806.9790 58592.8351 45678.8107 48243.5999 38257.8987 42002.9894 32559.4752 17958.3915 37752.7159 49111.7449 39281.0836 32753.3613 53926.3871 36112.5324 44667.6204 29081.9629 10951.3073 52910.9692 44311.1007 28474.6730 21319.8250 6349.0310 9868.7974 39413.3688 45605.1604 39905.0701 38832.2526 21340.6312 32334.1925 36479.6743 33076.9650 31629.5159 16134.2292 22891.0390 27841.9040 6635.1975 35433.1885 28967.5851 39865.9497 25698.4293 21273.1393 28270.5635 25101.0128 23811.7104 24587.0545 23344.6618 28270.1885 35186.6644 18063.6463 29773.2386 4185.4586 18309.0665 32096.6315 16829.3336 39049.7222 39771.2443 30404.5411 12255.7129 17471.4419 26244.2239 28858.3120 37377.5447 30237.8857 18729.2199 19802.2390 18797.8357 29552.8982 16054.1955 38360.2817 9062.6431 10133.0799 9688.4783 PC (36:4) 14931.9463 10312.6876 7458.4840 14687.9485 14184.5248 13162.5056 17040.3323 10358.5527 10332.4658 10282.3457 12420.0511 14099.9349 11931.3457 14179.1702 13041.3920 14063.7913 10519.2297 8793.8579 5430.4733 11048.9903 8683.7554 11398.6153 9158.5108 3083.5514 3138.7091 12387.9115 12725.2874 13349.3433 16565.5691 9004.3483 13709.3154 17000.0759 10557.8644 16146.0574 9354.9730 14192.3922 15891.2865 9405.2613 17485.7687 15167.0044 17396.7530 15919.1357 12118.4029 16724.5017 10127.9268 15311.3178 16183.2644 17223.8237 16492.1443 18441.3559 12550.4594 15239.3140 6844.8592 15058.2908 15750.7687 14809.1798 16476.2724 17565.5753 16792.7182 13248.8577 11883.9901 14855.1399 15907.2715 15952.9953 14780.5720 7647.0156 13814.3985 10218.0614 21094.2343 15546.0346 17530.8733 9913.0400 11977.7338 11038.6471 PC (36:4) A 301050.7919 222884.3061 138595.2251 440689.3329 361019.7114 249396.0009 500482.0253 191598.3727 167309.8519 179921.2129 264289.2939 291129.0860 278478.8897 288003.6278 258096.7078 291350.1141 219166.7111 150495.8097 88737.8077 205493.1541 153678.3877 223329.4951 160455.5993 43286.8257 44871.5661 220194.0211 256373.6104 292287.3465 486668.3088 188443.9963 394125.9278 446419.9192 182981.5622 500057.9498 205297.9990 351075.9413 437744.2115 188757.6827 440353.4833 359200.0944 443728.3048 442348.5518 329840.2705 419769.5842 181085.5119 420717.9113 479262.5686 522308.8358 420126.0340 524594.8572 300070.1418 426199.8360 107382.8452 341431.5910 409980.9629 415434.4486 476278.6465 480241.1583 501159.7093 282343.9803 271683.4566 322406.4758 432723.4976 343130.4261 347027.0553 112640.4748 323905.2801 284105.5181 605582.1004 392335.8680 487284.4762 210581.9332 233028.9317 210005.9540 PC (38:4) 233305.3948 296967.9048 103237.9640 494716.6062 412190.0074 193081.5588 377074.8964 109032.9458 112969.0718 179211.5159 234293.5740 238652.3160 309281.8776 179777.4362 237432.5272 226248.3664 153724.5104 142231.4770 86125.5801 341488.0774 94461.5185 217165.1176 141471.1542 26963.0823 25356.0224 150556.6079 182815.2453 307271.9939 436461.8365 182045.2802 308721.0008 500954.8619 146582.7826 321551.1441 274807.9180 231197.9271 386536.0649 158363.4235 332779.9227 269248.9908 391634.9731 301254.6419 333311.8716 269849.9866 129163.3271 289755.3712 307035.8561 325704.5501 326193.8781 433752.1478 264401.3192 249773.2056 102930.8910 248329.4647 407007.2598 361377.6246 292972.2336 410745.4463 277523.5858 196183.9563 283203.8623 279510.3038 280295.4139 311894.2947 344051.7347 66798.8887 263590.1919 281167.3632 357962.5390 275319.5102 335646.3835 101702.3323 120798.9159 105102.0902 PC (38:5) 32337.0352 44741.4051 15880.2825 59977.9976 43409.9079 33081.5083 91410.4322 28265.6596 31618.8312 20070.0955 35816.4422 52569.7111 44960.2417 55560.3069 34654.4005 33822.4908 46193.6306 18240.7662 13706.7051 36651.5804 36578.2876 32356.8242 18361.6449 9490.7384 9526.3873 23424.3744 37049.6200 49208.8760 102518.2488 30105.1751 52457.0456 107408.5193 25745.8700 80822.8641 48273.2749 83284.8996 78648.2757 24650.6453 94001.5936 63379.9499 110690.1116 162314.2065 135922.5933 85964.8117 25957.5520 71671.5658 100800.7868 134960.8412 87229.8028 111844.0668 44707.5871 83708.5666 14870.8653 46284.6323 68718.1343 65678.2140 82459.4248 69899.2779 92665.9258 67922.0768 73749.7331 50066.5176 101277.5922 73460.2685 68706.3389 21462.9630 71807.9329 64356.8298 132712.2594 61154.8060 95223.5199 25579.3787 30678.4643 27827.9366 PC (38:6) 153804.9489 177111.7963 99633.9734 432957.6232 288492.6612 166796.6637 486830.4335 105039.7454 62164.3946 184872.8316 138363.8145 151741.6273 186788.6513 138384.5717 184740.8164 115408.4542 87015.6785 121536.6872 96865.8344 247016.6945 83904.8570 175394.9951 93633.1284 26587.2244 18814.6941 115409.6073 134160.3160 181819.9277 463047.8552 164311.6429 297721.6732 344317.1928 106026.2900 550978.2028 144231.3451 332247.7067 321019.0974 154416.6251 368312.8563 360996.0680 342943.6470 341364.3376 232747.1892 326203.7121 83331.9422 331534.5053 348435.0376 396646.7747 326702.9079 336824.4383 277436.1977 357972.6806 78892.8688 131249.2710 330911.1915 339352.3771 486673.8478 379811.5276 616633.6204 213472.5624 210949.2842 295788.3129 321765.3460 358210.9709 259111.0540 45407.0894 299872.7355 220112.0948 475923.0201 342482.7115 389012.3895 58042.0601 67158.2882 56662.6556 PC (40:6) 96526.6998 137116.0470 66880.0815 318569.4324 197357.7645 111580.3064 209482.0321 57047.3049 38478.9476 155003.8722 95701.1683 105455.8664 127598.0484 62424.4719 116454.8372 100655.9895 50528.6320 102083.3002 81220.5642 242888.8342 44260.5023 117610.6026 93496.8011 15910.0871 10684.7891 79019.3719 86655.6414 127433.3002 230927.8330 143834.8876 140093.8617 226074.0453 75647.1073 193682.0309 119053.6556 117867.1646 168399.6446 74804.3189 135766.4913 150945.8355 166013.8798 125169.8630 135426.8574 117466.7994 60122.5833 122355.1098 130145.9222 121053.0733 135299.9446 165787.9356 152705.4064 112296.0072 62421.6301 79645.9009 193128.2236 186246.4548 166270.9231 175972.7383 196301.9896 81154.1077 151202.8432 150696.5517 110154.5937 198403.5678 151190.7753 27074.7735 139748.2002 120953.9527 154261.5148 145758.2500 145241.0135 24374.6124 27275.5388 25972.6069 PC (40:8) 8622.7188 6801.5469 4063.0442 20709.7192 12781.0600 8963.4220 29512.3785 7144.7632 5134.1526 6770.4565 6758.7142 19478.6118 11476.6163 21363.1461 10433.3847 10488.3763 9863.7382 5877.2800 4031.2601 12711.1112 7036.5899 8619.5259 6530.7967 1970.7283 1994.4762 5025.7641 8454.4348 9881.9905 32460.4627 8638.4681 10038.6845 11858.8225 6233.6948 23294.6018 5265.6994 6682.2324 8574.9700 2426.7043 17359.4612 12024.7003 13758.5544 16654.4387 12396.5405 17138.0530 4527.1236 14828.3375 17285.5030 20318.8082 15862.9265 15323.7207 9724.0991 15381.2829 1623.8328 4969.1380 12439.6217 7848.7919 28019.8330 15831.2977 26914.0133 4775.2808 5411.2735 11832.8460 14806.9336 14971.2862 10165.6380 4550.5626 11782.3396 6230.7788 31379.5654 8582.0774 21104.5141 1278.7018 1673.9928 1321.7610 PE (34:2) B 15465.0520 3719.1649 3079.4456 9981.5256 12161.4244 25887.6614 9821.8182 11988.1920 7978.4214 2067.7288 11131.3656 5451.1146 8107.1958 5045.1924 12935.2310 6930.9280 8370.6503 7993.2454 1399.1149 20238.7909 9564.5819 4948.2287 2950.7615 1776.2557 4907.7477 10670.0681 10014.1441 12015.9576 8511.1361 2015.6629 12207.1729 19964.1123 7562.8947 16385.9827 2804.0057 5865.3536 13741.7065 2011.1639 9277.0059 13412.7289 11376.4709 5026.4919 3686.1507 9682.0488 4164.7743 7167.3804 9186.5922 8188.9224 5938.4139 10365.4858 4839.6417 9067.3132 3430.8828 3086.7159 12232.7374 8309.5363 11099.3599 14438.6241 17343.4273 7079.0224 10851.9460 5900.7122 8569.5297 12029.0428 12794.3456 5587.8372 8175.1205 3363.4360 18063.0005 5267.3409 10422.6403 4172.5606 3990.4240 3591.1698 PE 36:4 25338.9392 7104.5786 2532.9569 33113.9803 21373.1445 31804.0255 32383.7383 12027.2696 8271.2461 5346.0364 16170.3042 15073.0921 14818.2016 12219.3790 23687.7629 8781.4371 11511.4502 6467.7758 3325.7802 23414.7917 9946.3560 8303.3538 3376.2021 1680.4406 3513.5895 12405.4764 15114.7573 16250.9435 25649.8407 4717.0597 24071.8038 45656.8608 8466.2209 33418.2589 4706.9481 10265.4164 28834.9467 3958.6254 16728.1222 16020.6218 28136.6745 22206.9515 14995.2383 16828.4844 5255.9073 16012.3364 30444.9822 23910.4598 11905.8926 37202.8948 8469.8195 18993.1448 5317.4884 7802.0025 27522.0846 17374.9012 23022.1452 39395.0875 47432.0353 10826.9463 28400.7779 8156.3046 17157.4817 31952.3408 27936.3963 5444.6358 11716.3507 6656.8904 49963.6550 10761.3093 21734.9280 4746.2675 4442.5830 4413.5202 PE (38:6) B 9775.9932 15758.1375 4915.0513 59523.8865 48931.1418 24497.4613 46757.5466 6091.7445 6118.5615 7394.2087 39971.3773 13766.1039 33511.1088 14034.1507 25829.2382 7018.8472 6773.7369 7258.5600 7120.0485 33972.9869 7040.1704 19495.6293 6247.6075 3404.6351 6489.6387 6761.9182 7144.4858 21399.9741 31402.7213 7390.3851 28183.9876 41022.4030 6520.5495 48333.2128 8647.0923 15316.2779 30287.9287 16358.9266 23422.2907 44859.0355 23691.5688 24544.4424 8492.5857 24676.2280 7261.7289 25700.6897 28681.1533 35076.5635 17522.7500 30400.6164 26893.6867 24249.0816 23398.4561 9718.2338 28588.7657 55262.3131 42315.8477 40232.8916 72455.2516 26514.4868 38354.2921 19479.6365 26922.6940 41157.4442 30248.9406 7226.9700 25281.6109 8993.9852 88758.2768 44627.3430 27277.5967 7512.3750 7420.8429 6823.0956 PE (40:4) A 12393.8369 11410.4613 5558.2253 33309.6993 21190.8223 9445.5704 23078.9792 8501.6491 7403.8262 10738.8193 13587.6692 16519.6400 18019.0378 14369.0844 14210.7784 13154.1863 11330.6304 6241.2981 5260.8540 11510.5432 6630.6662 11179.8034 8191.7513 1850.2361 1717.3449 9345.1193 11400.3543 16477.0406 27102.0731 13070.6355 15388.9940 18391.6142 8691.1770 18305.6738 10193.0197 11450.2680 12764.1619 6614.0311 17973.1557 13559.9317 15325.7838 12643.5443 10246.7956 12070.5914 8917.4353 13768.2786 13757.1506 16220.2269 15863.3478 17847.3056 12526.4968 12998.0285 2784.4572 16081.1463 16980.6900 15686.9813 20161.7579 17518.0824 15399.4423 6900.9737 6986.3225 13391.9964 13438.9662 12975.3720 14669.8902 4449.6140 12012.2688 13048.2327 20266.5549 15146.6974 17700.2108 3684.0674 4607.8566 3533.2237 PG 36:1; GPGro(18:0/18:1) 57038.5361 26254.4820 9315.0461 100784.2039 79653.6571 66488.6052 64417.0145 28329.7323 23797.9098 25814.7131 56139.3797 36527.7383 53447.5103 28844.9575 65308.4119 39720.3773 25477.3067 25616.7654 14392.8722 61551.9008 22042.4595 32819.5964 17239.3176 5901.7533 11267.0248 39602.9742 37572.4965 51030.2346 57578.8355 23663.0558 36754.5020 55780.2158 34983.2061 49637.2557 16153.2040 18457.6266 41258.8348 10394.3521 24374.0301 28401.0838 29279.3236 18091.1997 12446.3047 25716.6082 22242.3317 26931.1319 33529.0477 26654.8991 18694.3433 37783.5747 24452.2545 24664.4266 19617.4194 31390.2697 43751.6357 43879.5420 35244.2603 49973.9936 63551.0960 21483.3273 36970.8979 20728.1686 24934.0796 33781.1546 39816.4168 20223.5013 23984.9556 12447.7476 70703.5872 31989.4671 31530.6241 11103.1710 12778.9421 11586.0977 PI (34:2) 20851.4109 6591.3736 22172.2322 17148.7112 14032.0250 21288.6626 21444.0741 20456.9842 11499.8401 8294.6387 9948.5962 26403.4882 14471.4018 11210.6031 16312.1506 14491.6083 20747.2529 13357.3432 5224.8271 23798.9635 16240.1713 18835.0920 11236.5369 2593.1589 2407.6556 11461.0246 18652.6394 12858.4537 19288.0361 10227.3870 33859.7915 49313.7540 12351.1032 26432.6942 8543.0107 22145.6112 46177.1437 3756.2206 35043.9888 14912.9189 42183.7593 15918.5889 23370.4331 35292.5601 8731.6171 30359.4751 25343.4047 24278.4142 35200.3977 35950.4394 8346.7540 35296.5290 1625.2845 11120.4621 51242.7003 11436.9793 26322.4946 45863.0327 33689.6849 13260.6415 31473.6973 14281.8495 37279.1019 27604.6380 30495.6600 5449.8284 18177.5952 12848.6830 15345.5962 8730.1199 35587.6908 5373.9175 5963.4121 5115.4974 PI (36:2) 76716.7366 18619.3728 73941.3700 51959.8158 45052.6415 72373.8925 50687.1356 54337.6306 37171.1983 23200.6086 30653.7505 83686.7412 38801.6022 33906.1191 44548.2469 48342.5357 67662.8560 37812.9183 10646.7161 85099.8793 44975.6682 56506.8499 29232.1786 5070.6643 5952.8379 35471.2823 54474.9115 37982.9725 55939.6948 32490.2562 69090.4483 95614.1111 42900.4496 60770.2269 24120.5752 53849.3732 88051.8720 6789.0856 91151.5225 53788.0030 84220.2848 41390.2418 49939.5206 77201.1620 26468.9106 58747.4335 50233.7343 52917.6630 76559.8609 68908.0856 15638.3038 85144.1077 3200.4691 34971.0485 88136.3101 25759.6761 61554.5371 91660.0521 56519.2227 24303.2761 47767.0881 34260.7091 86603.8135 49775.9023 50079.0531 11152.5879 36976.4250 34842.8349 35511.0808 15303.7657 78663.2584 21125.4713 23596.6534 20517.6032 PI (36:4) 35028.2262 23018.4622 28504.8020 34967.6459 36433.5522 33362.6852 55501.0905 29857.5483 16472.7422 15045.3380 20182.3859 36418.2571 28820.5662 15013.7629 28991.3091 22501.4638 34193.0575 18422.6083 12022.4265 35116.6564 25581.5530 32683.4888 17679.7599 2777.0790 3671.7922 19381.9275 32916.0698 27257.2412 49186.6036 22984.5292 100881.7860 175640.9297 17407.1823 65113.8325 24093.3100 64390.6954 140228.4094 14920.7258 93422.0941 40647.6924 144923.5710 70459.8684 109214.1519 89091.8429 17233.0859 95995.0525 99529.3344 90751.1611 94234.3457 139045.2994 31357.7586 84934.0335 5003.9148 22921.0120 134790.4289 39979.7350 64317.0104 112720.8602 89446.7085 50651.8805 99921.2685 38026.9988 89440.3300 110849.2176 112382.0894 8134.5160 48483.8609 37766.4211 60254.1704 29434.7996 90519.6259 5567.5719 6288.8139 5621.4755 PI (38:4) 297575.0022 453141.6241 167451.9749 933929.2854 702138.0288 288514.3503 1135115.3270 243807.8213 98213.9219 183078.5336 271434.4967 414927.9443 498494.0702 178342.5593 359911.2747 169470.9029 391380.4509 120802.7395 97004.1005 502212.5540 196759.2529 374458.9042 97647.7269 13858.1357 23192.3947 113439.8512 234424.1271 447982.3553 1097913.2560 264010.1175 907945.2213 1131144.1970 127819.9981 1156426.9150 433539.6994 661506.7140 997519.9666 186422.8509 917819.0448 766015.1651 974942.5520 683770.4143 815606.4878 912108.3828 87811.1932 870793.7765 988474.8520 945225.2308 875001.3398 1007653.6880 530685.4224 882498.0780 62591.6256 231723.6044 1096541.8770 575962.2305 1000647.8010 994599.1094 1258931.0540 468368.1078 529552.1790 671782.6136 873495.9463 736804.5882 795538.9613 39257.9984 649041.4322 536243.0518 989885.6971 538486.1686 999830.2093 62236.4537 68290.0679 53609.3146 PI (38:5) 6668.2889 6855.4427 4676.9644 7154.2424 7591.0190 6081.7853 28328.0774 10004.8611 2975.8451 1932.8752 4302.4906 7868.9813 7405.5584 4554.8130 7937.8447 3175.0990 12412.7476 3924.4543 1860.6580 12385.9723 7093.7552 6084.1725 2435.0288 572.6094 883.1499 3239.2630 5120.1883 6753.6993 32247.7262 4886.2501 25481.7266 50139.4274 2794.4467 37356.7048 7508.7579 17853.0340 33972.4329 2771.4256 41085.4437 21743.2154 49146.7542 39392.8332 47330.5109 34572.8047 2795.9516 26858.3275 32686.7245 49104.4305 33048.2589 46170.1303 9646.1388 30247.5003 1523.2334 4079.4544 34938.0073 9121.4972 42573.7586 33619.9296 37705.3183 13967.4063 27528.2422 15065.3243 39116.7870 35247.1358 36765.3880 1580.8747 17896.7263 11652.6729 60045.1355 7912.5442 38566.2711 1456.2039 1557.7531 1452.3774 PI (40:6) 8755.7528 4182.4574 3744.7134 21542.4418 5880.2973 7224.5717 26131.9178 5800.6714 2691.6074 4836.8450 3398.4961 19791.1332 4445.9819 8352.9513 5651.2348 5231.3901 5630.7673 3392.9446 2791.3134 9205.6651 4529.3437 6464.7146 3675.4355 1100.9883 909.1910 4000.4761 6382.0387 3900.0566 24999.8945 7866.1947 16994.7511 24518.5069 3416.1679 22213.9401 5134.4502 13767.8571 24972.2572 2849.1130 18118.1027 14359.4974 18958.2672 13518.8235 18071.1738 18114.6466 2688.3803 19540.4892 21810.1681 18269.8391 18793.2955 16083.5978 7213.2133 23081.2305 1647.4280 5678.8384 32515.7070 14321.1768 16867.8481 26722.9843 26222.3993 5837.1980 13669.8629 10436.4807 17989.6853 20931.6792 13327.5250 1833.3669 11195.8699 7470.2983 15254.5840 8050.9241 22111.3962 2733.5922 2890.8914 2244.3746 plasmenyl-PE 36:4 10716.3693 4706.9107 6432.1692 12363.3154 10184.0122 5263.0906 28247.7468 5335.5090 5942.1618 4494.8387 7828.3782 10800.8816 6130.6548 5893.7744 8219.2018 6784.4687 5570.5978 5253.4220 3053.2580 14196.8357 2936.6811 5546.7609 2816.9299 1478.5179 1820.2559 6260.0769 6593.4683 6468.2787 14045.9034 7279.5474 11504.2150 17941.3090 6544.3168 12461.6790 6038.9924 8339.9296 11247.2830 3165.8456 8605.7739 10892.8422 11727.2406 10419.6979 10833.2788 10130.1893 5853.2945 8332.5337 8981.0759 9662.1359 8171.7754 11023.4517 11445.9530 9632.1847 2945.8483 20960.3589 13764.5048 52111.2193 11205.1576 13581.4054 11506.8383 5324.4820 7268.0152 7775.1765 11436.2267 11005.1483 10905.9607 2262.8225 6253.6345 8208.1931 12313.3738 11650.1414 12202.8868 20209.8393 19712.2995 18795.6021 plasmenyl-PE (38:6) 11633.3301 7515.1199 12914.6244 9396.1570 10419.5700 8595.2508 33917.7193 6268.0770 7110.2802 6558.0219 8210.5799 18696.9993 9023.6512 8437.5081 9833.4677 8633.4866 4760.1042 8227.8726 4237.8694 14121.3585 3107.0485 9732.6381 6832.0693 1781.2533 1534.5233 8391.5353 10326.9623 7405.9418 22968.4818 10206.1949 21354.8821 23983.5496 6649.2371 26790.5756 8921.0506 16036.0265 21416.1621 7299.7350 16803.7064 16761.3911 21180.9915 18726.7752 17692.1431 21118.9869 5980.7385 18370.6662 23522.9139 21206.9145 16635.4638 22344.9162 18366.4919 19194.0422 4310.9593 17466.6418 23695.5560 33285.3836 28141.1997 23952.3656 21159.7403 8275.3568 12482.6290 16443.1384 20377.3860 17513.2907 16009.6772 2533.8916 12558.8325 10622.4461 29251.9213 15273.2056 24609.7707 7168.4924 6978.4567 7401.2715 PS (42:8) 9478.0100 9941.9105 6895.2918 19850.9704 16981.5899 11810.8878 21281.3602 7260.3563 4888.3721 10491.0628 9035.8529 9477.2312 10420.4183 9451.2844 12012.4725 8246.7193 6871.7718 8252.2156 6917.9846 14466.3696 6701.2232 11051.4788 6836.1315 2250.6114 1897.6581 8263.3621 9019.9874 11957.0430 20707.5829 9298.4617 15472.0246 18718.0151 7272.8670 22170.2241 9203.6460 17780.5104 18093.3221 9828.0472 19202.7244 17957.7701 18986.9783 18724.8107 13279.5723 18143.1198 6238.9289 17453.4816 18672.3253 18928.0641 17875.9791 20102.2640 15075.2505 17352.9940 5643.2039 9752.2102 17416.0866 16916.5623 21904.3623 19558.0038 23117.0056 12715.5485 12659.3379 17033.3479 17348.3416 18760.2358 14490.8530 3589.2481 15175.5196 11737.0643 22318.4100 17619.5367 19150.3779 4138.3665 4157.7614 4150.5214 SM (d34:1) 112014.3163 78698.7594 83600.1019 120480.5344 114118.9947 109822.1959 90287.8815 79874.8763 103400.2965 69955.7113 100014.2340 126923.9833 105335.2000 106475.2933 86583.9357 89036.2253 74346.9929 79818.6933 44377.8872 138333.4396 87508.2292 77655.3330 62402.6823 30571.0419 23693.9319 79122.1642 118257.6088 91152.0781 101269.6933 76725.6913 93444.8296 106117.4368 112616.9742 89163.5154 73619.0388 96561.3707 111340.0541 50706.0690 92999.2424 135154.4221 139740.4649 96998.5383 84928.9739 91678.9430 89669.6809 84396.9382 79696.2623 93692.0343 83312.4394 85213.0426 66913.7377 90506.5955 46127.9881 78931.9415 112963.5082 118859.0747 88352.5242 92964.4091 98530.8136 71214.9269 92956.2025 87794.6315 86318.8118 103636.8105 91418.0823 53444.7121 101394.3582 83880.1777 89580.6941 76443.3640 99579.8360 210273.5159 232810.7712 211888.6299 SM (d34:2) 14585.4354 6769.7335 10584.1935 16332.6005 11993.0710 9447.9197 14808.8844 9111.0021 10412.6062 8408.8008 10731.3659 12693.4210 12512.4474 11791.0663 10581.0580 13224.2789 10657.8593 8595.8773 5461.5834 13014.6136 10821.2286 9223.9065 6987.3027 3306.2647 2616.3983 9577.4309 13045.9601 10443.1584 21536.6137 10368.6212 16114.1906 12627.2066 12404.6517 17532.7044 5620.5797 7825.1873 19959.5298 3399.1531 12283.6983 16048.6669 17422.7063 9360.1180 9702.8270 21164.5177 7911.9713 19280.4713 17538.6860 12429.9277 11411.3706 13697.0319 7698.8192 17568.0186 4460.1844 9728.9033 20190.5767 12634.5259 19571.6609 13040.6602 17187.6106 5289.7594 12312.2289 11073.9349 20472.4903 9367.7563 9782.1658 5749.7114 8167.4944 8044.7823 22380.0231 8635.6582 21956.9395 31762.6787 35064.0134 33023.6632 SM (d42:2) B 14345.0248 49964.3666 22641.7022 28746.4431 27075.9548 15478.0139 46257.9198 19603.8754 13929.4875 15214.8175 20828.5853 19862.6464 30909.9761 17816.4289 23565.6773 10978.3301 14000.9766 19733.4463 11794.0094 31928.2745 16357.1555 27948.5321 11247.8956 8482.1468 5443.8123 11247.3244 18479.4270 27779.5693 49302.1233 21640.8760 64940.8974 90269.1061 12954.3626 63083.4743 46536.6082 71966.6852 91637.9210 23687.7761 81791.9474 86545.1187 102923.9995 67201.3916 76579.5708 68059.7799 11214.8109 60542.4341 55630.4958 76879.2288 78003.7971 73121.4329 40473.8598 78509.7538 28061.6221 12875.1811 89518.1564 73442.4888 62661.4800 72933.8794 75600.4193 49292.2805 75434.8057 66785.8287 66412.6708 69936.5942 75474.7675 10170.8148 79680.6479 57219.5477 66530.5826 44202.9782 81358.2082 51958.1697 59201.0125 53280.4429 CSH_negESI #071 37484 12628 14564 36578 33031 34219 18925 19610 17829 9957 24089 29030 23450 13407 32894 24716 23540 20138 4184 56332 18384 16975 13495 1935 3193 22281 26136 28132 21216 9169 24803 41273 20558 19397 14704 15932 28306 3317 24056 20955 31466 20582 27630 17356 12870 16011 20691 16075 19113 34471 11445 18308 3344 11243 31928 15673 17352 34740 16567 7614 23242 18717 17978 31640 28071 6731 14066 16281 18535 8707 21683 7733 8017 7017 CSH_negESI #140 115967 201663 133523 97793 136119 100855 157368 76797 83340 86324 107741 105706 142949 72287 102948 115087 75498 115037 78436 170024 61596 120216 94440 38945 34739 80471 109442 134032 157471 125418 174848 269093 89250 131546 215928 128340 266202 126982 171454 135565 243182 203427 278722 153027 95751 173462 146944 158263 201492 242791 180987 137568 98818 109016 237628 234570 190079 211538 160875 137557 210562 182690 132643 185026 265326 45975 135055 190745 129432 164372 151310 112272 117241 108734 CSH_negESI #394 15281 5326 8483 28647 13486 13420 14293 10824 8300 7950 10489 42426 15343 25997 13354 14844 9210 8172 3405 22253 10274 8833 7251 1465 993 10629 18249 11114 15307 14173 9191 16566 15307 9448 5496 8115 10100 1155 11619 15231 16596 13189 9803 9756 6310 7356 11657 10303 8342 11063 6005 11065 1273 19108 11787 12116 8891 11799 10793 4547 8997 16058 8301 16383 10072 2767 10311 7397 9197 7390 11958 8719 8938 8115 230.997m/z_0.42ri 174255 19914 16789 234472 138718 118398 99704 125134 173038 125949 34931 105400 169703 52767 205553 106204 113268 99266 77663 132152 130185 119482 72253 29242 77050 59771 170726 180533 54570 62878 13564 12494 15676 36126 62235 48268 24205 93758 18779 74363 30366 35296 15928 9164 71293 18609 52017 9470 25347 13116 58718 27156 30199 165929 13637 22814 18115 15528 17290 75265 67017 44963 8635 37064 17432 45999 40220 114164 18123 22817 25486 285 368 362 217.0312m/z_0.42ri 96590 46720 49919 97056 117082 122173 67440 46405 75753 37502 98594 15534 132432 15193 123816 124239 108059 93135 48996 163689 69663 97489 94418 30880 100935 40449 91023 152970 87791 18954 59185 17126 14343 9804 22897 3872 84676 14680 5329 17665 32860 31832 8569 8207 13329 40978 95784 7641 7856 67813 24800 13152 41768 28107 48083 33451 8463 74049 9471 27095 30905 20782 13533 33523 38824 18427 10015 43080 42753 21337 10022 2262 5024 4215 215.0331m/z_0.42ri 302996 137276 157973 303462 382482 373694 211743 143802 234419 122684 304680 46498 427229 45243 381781 396957 331867 301838 150546 515535 237690 311607 294108 96468 328256 127339 272849 501940 278024 64111 185251 46749 43869 30685 68055 11051 267790 48025 15823 60685 101302 98598 23834 25788 40407 120724 302627 21957 25998 216248 72894 39327 132135 85837 155729 103207 28384 240520 28877 80436 97468 61292 41157 106632 122093 59159 29867 141109 139274 66339 33812 8283 19277 14054 179.0563m/z_0.43ri 261620 187767 152180 383214 367895 275542 180602 171636 225769 143573 247521 88951 426939 82353 309008 338704 217737 250857 177281 297847 228798 292560 240544 92005 293604 122370 268891 356642 218047 74074 135058 59337 78564 36804 93928 25416 109514 74780 28406 76755 66144 91926 35912 36092 67320 111989 174537 45875 43165 100655 75779 40611 118426 70903 84725 97849 31192 157224 37504 81952 64197 60766 53851 67627 81624 72783 43121 100955 106931 71729 33718 40017 26110 23976 612.3296m/z_1.09ri 4956 19549 6974 6607 7396 5959 17188 3873 4042 8457 3581 8115 7747 20630 4757 7773 3449 4551 8008 4461 3801 7645 7739 2914 1863 3674 5406 6524 15646 20262 11405 8458 4589 10688 13665 11575 12534 8876 11348 18554 12656 19845 17953 15127 3932 17211 11507 12400 12526 16114 22485 13496 13353 4733 11120 16519 22415 20420 27154 8155 5836 19275 18130 6328 10651 2054 12720 18840 19114 16621 10996 2328 2974 2693 588.3306m/z_1.14ri 14939 62845 19572 14739 22909 14490 42078 13007 16184 16667 14722 25155 30609 46757 14233 21806 13246 9137 15685 7315 11600 25012 18198 7060 4822 10231 14650 24016 42703 34538 31360 27922 11280 27258 44657 29901 36592 22325 35568 35087 36346 63121 56380 51020 13537 46797 40734 38868 44007 48747 51916 40389 37639 21246 33265 41330 50360 53556 48472 26065 16912 43317 64671 14467 33218 5558 41887 62204 61234 41551 36113 12077 13130 14661 319.2276m/z_1.26ri 4050 3278 1994 2197 1271 236 22932 3606 431 74799 434 344 2443 230 9884 797 7027 12304 5895 22973 1750 1024 643 1107 242 21309 1982 8554 22096 59736 23881 40711 2627 6999 17770 39282 6097 8672 16633 10220 94582 16665 18819 11051 9229 32529 5013 2543 25580 145263 10044 24777 13317 7340 45357 38684 112885 13001 12395 6967 38197 26573 9569 16603 50335 674 28444 35888 19419 18817 2633 4052 4899 5346 533.2917m/z_3.09ri 344525 117125 73428 420745 306466 355516 373420 568444 340711 253167 333089 872004 385729 454410 416081 525077 545562 198359 179853 394648 649515 208443 245960 152953 86489 502807 495092 331188 488386 540627 114463 210018 264144 201554 118489 260810 141020 78195 188106 311413 241851 348904 187739 157842 241578 171732 199548 198487 147169 181926 245159 188475 166928 546561 174360 471341 239014 268305 316904 271364 165957 401480 228046 295921 218355 211274 223519 283040 310373 328147 252343 79540 90736 91912 579.3894m/z_3.67ri 13707 10889 19586 1396 5346 33769 4053 9450 9379 2063 9005 14737 6291 11658 7259 13556 10193 12693 8632 29078 15688 11450 12019 5609 4592 8940 29285 13497 4171 10468 7393 7481 10492 3593 7166 2997 11753 3287 9397 5077 13324 10841 10607 6932 8672 10682 7564 4422 8210 11092 3394 11512 1349 7386 11891 2249 5178 15006 3721 3750 6323 12987 9244 6149 12241 10241 13970 11685 5799 3040 15145 339 574 441 446.3761m/z_4.24ri 8043 7443 11359 17971 7472 11760 18425 17796 8435 23016 7519 6043 14402 8370 30068 7609 24055 8602 12411 61048 11261 9315 4711 3611 3185 5763 5415 8872 18042 26355 14952 8664 11812 8633 7143 6064 5869 4505 5455 6230 6681 7201 6152 7416 10065 10791 10168 3818 4396 12594 4966 11205 9115 5028 16447 10023 10507 7201 15948 4975 7602 22868 7038 8832 7161 7811 13486 12309 8296 14598 4527 7853 11256 11292 859.5314m/z_4.44ri 6350 3395 5498 5569 5113 6512 14203 6690 3528 2331 3138 6372 4291 3672 5198 3386 9560 3149 1860 8830 6067 5980 2560 515 792 3272 5512 4786 16031 3233 10918 15224 3169 17233 3657 8371 13761 2090 18843 9539 15022 11025 13637 14909 2533 10713 11040 14283 14905 15502 4849 14755 763 3519 15657 5865 17925 19672 15334 7557 10346 6220 19543 15065 11817 1590 7031 5427 16935 4777 17623 1994 2442 2359 800.5454m/z_4.51ri 6187 9756 3938 14481 8178 5914 41696 7299 5237 2326 7105 9644 6550 10652 6273 3527 10882 3129 1663 7286 9901 6598 1819 2505 2575 3829 6269 6746 39848 3195 21187 36864 3241 62032 8215 21475 24665 6601 34382 47196 28522 40944 18047 46804 2467 31033 42893 51443 25031 35598 7165 41384 4584 4419 23707 14937 51915 29552 60426 17975 23659 18256 40911 25482 21300 4310 13237 13515 75068 13538 58330 7246 8522 7151 840.5344m/z_4.73ri 7212 7125 4835 16947 11551 8205 20159 5074 3249 8087 6420 6401 7870 6332 9669 5164 3961 5454 4256 10712 4287 7806 5053 1943 1080 5578 6053 7917 18003 7494 12242 13460 5135 21447 6300 13647 12671 7125 14355 14191 14141 13173 10016 13961 3735 13368 13853 15883 13730 13896 10774 13848 3830 6191 13435 14097 19334 16201 23949 8689 8700 12151 13753 14565 10130 2302 12055 9090 18208 13702 16102 2599 3116 2976 377.2726m/z_4.79ri 20635 14279 10100 23391 18917 16169 19797 15538 10709 9804 13960 19876 13854 18963 18498 15085 12264 10927 5481 17986 16789 12068 8296 3120 2778 13879 16157 15239 21120 10311 19396 28823 12312 20323 11189 14630 20968 7687 20509 19613 20120 17851 16715 18474 9265 16477 20832 21777 20164 24926 13695 19351 7775 15297 19207 16789 16575 21116 20749 12835 18363 18378 19416 23420 19479 8647 16817 11129 19404 14231 19215 11684 12017 10849 876.5739m/z_4.81ri 7069 17677 5235 30812 18602 9650 47280 5392 4624 8145 9560 15795 14882 12254 10372 7046 6938 5331 5715 12879 5322 13068 5619 2931 2096 4550 7935 14380 51139 11474 17212 25720 6341 45730 16516 34666 20211 8477 31744 29260 31863 52576 35749 29342 4768 23673 31130 46636 29028 26842 23674 28478 5273 5302 21214 27269 45334 23301 58012 17601 17310 24202 32389 35076 19083 4704 29065 21296 51558 30661 33921 1675 2100 1682 816.5338m/z_4.89ri 11220 7808 6069 13613 11376 9447 13779 7260 6981 6639 9285 10622 9256 10305 9849 11096 8091 6737 4104 8224 6792 8042 6779 2104 2066 8795 9794 10765 14923 6803 11861 14144 7496 14045 7367 11332 13366 6909 14806 12079 12821 14600 9412 13054 7824 13162 12881 14489 14015 15350 9753 13215 4743 12623 11908 11903 13503 13851 13059 10300 9685 10789 14150 11389 11598 5158 10194 8500 16835 13627 14300 8055 8759 8034 788.5251m/z_4.96ri 7172 9222 1748 37622 26509 18598 43913 4335 3444 4095 16932 17395 19056 15350 15526 4521 3206 3333 1654 17949 2895 12159 1354 534 783 2679 3236 11828 35852 5466 18731 22971 4281 51410 4889 8312 16977 3608 15421 26300 12623 18163 6896 17941 1615 18178 23664 31884 10509 16380 11767 19391 5383 3515 20412 22746 37522 26944 77289 10828 17110 10605 16689 20661 18192 1713 14054 5264 74798 21141 22356 1016 976 948 792.5315m/z_4.98ri 34162 14403 19443 29848 26677 31672 32221 25184 21088 11985 23294 23857 21727 19094 28234 24235 23184 19213 7767 30088 24751 20056 13913 6174 9465 24793 27543 23625 29739 12664 29691 36620 19287 36387 13624 23169 34000 10756 31903 30246 33435 26097 21627 31233 15635 29380 30372 28000 26280 34171 17605 29576 8851 15245 30124 19061 33666 35118 35421 18215 21364 25811 29217 31425 27527 14088 20078 16480 33535 22057 33812 15143 16741 14852 1560.1206m/z_4.98ri 60207 15684 24305 52690 44435 55675 54211 39761 30073 11312 35976 37768 32933 25088 45641 32242 37918 25161 4859 55456 40700 25388 13810 3119 6513 35677 45565 38984 48716 11151 55694 63697 26680 66767 16037 34531 62263 8111 54655 52483 59884 38931 34895 55206 18428 49830 54409 47493 46026 59833 21326 56946 5668 16478 59187 30224 61681 71056 73196 22466 35116 44945 50040 59373 45409 13295 30899 24810 60425 26479 61878 20092 21498 18885 828.5765m/z_5.06ri 240251 71596 111202 185708 142084 222970 194935 196437 180762 51556 160073 230712 141402 183393 192096 160219 259987 119655 34371 260173 223408 122887 74022 37819 64262 142057 206632 172376 229729 74477 120396 209285 140181 179977 83667 145818 157744 28531 176109 186109 216499 239469 223480 163677 103216 112525 156789 178529 157430 215349 80814 160506 28958 91670 146554 101422 191031 187561 180128 94633 143250 133954 179313 220415 153580 104958 117290 106851 243043 101133 185377 90623 100642 91907 887.5596m/z_5.09ri 9142 6968 7528 21290 14934 8561 17612 10482 6210 4084 7117 13616 13437 6506 13757 6784 15741 6528 3216 14036 9723 10069 5342 1153 1179 5412 7918 12519 30777 7289 21569 33739 6539 41169 6984 15579 32124 4736 26057 21405 22162 14071 33811 31885 4091 21693 35017 24423 24269 28872 13590 30944 1404 6605 29396 18106 17189 23986 19964 11345 19301 10148 31766 17532 19681 1989 17444 10183 20752 10583 34574 5206 5799 4940 764.5346m/z_5.11ri 6926 8194 1847 14525 12400 10716 18317 5203 4227 4184 8971 9523 13584 12013 12087 3905 5503 3009 2937 10870 4255 7126 1658 1121 2542 3942 4589 9150 16945 5159 12453 19119 3895 15877 4423 5555 13366 2992 9720 10046 11248 12508 6133 11145 2772 11421 15832 17784 7682 14817 6957 11845 4137 3907 14738 9718 13374 17225 23018 7563 16515 5194 12616 14935 16913 3905 9324 4984 32208 8700 12609 2017 1886 2475 946.5762m/z_5.35ri 7363 9435 5207 18154 13635 8020 13211 4228 3091 10374 6999 7605 8950 4843 8981 7070 3993 7120 6310 16744 3446 8785 7249 1356 1032 6660 6977 9272 14587 9796 9556 15149 5688 12130 8430 8276 12567 5715 10927 10470 11129 8584 9971 8598 4693 8403 9033 8958 9362 12429 10180 7899 5094 5917 12599 11615 11455 11636 13140 6466 10411 10556 8625 13556 10243 2322 9267 7996 11757 10217 10119 2032 2416 2097 778.5602m/z_5.39ri 22401 16050 17846 31565 20038 18061 42506 14186 14200 18197 15351 27155 18848 23957 16877 19492 13138 13587 13060 25778 13029 19973 12860 6445 5273 15057 19777 16313 32671 25149 34384 31302 17102 34768 17443 43147 35910 12725 39358 38986 36547 32597 29800 36664 11703 34313 29105 43418 32761 31029 15931 42983 8023 14201 32652 30757 36352 40713 47551 24485 28517 26058 37275 20545 29586 9340 30130 23354 36557 24938 38363 19214 21368 20093 872.5651m/z_5.46ri 125977 106865 79404 226141 134416 108082 273206 147952 83057 69987 105131 128667 102415 123992 113234 84777 147355 75460 43104 135618 129756 100364 50967 27319 31970 105451 114086 105439 248184 87647 314659 395598 96882 318310 112594 284440 405694 92140 306299 337378 344753 286962 315115 342804 77307 295868 411292 324958 277309 372845 148922 358963 68220 114194 341528 218065 283454 345180 390891 223003 294971 234837 317285 240626 283493 63519 195281 158785 300996 195341 359473 199956 222948 200829 790.5415m/z_5.51ri 12468 10835 2247 62957 43355 22839 35324 4857 4083 8488 26644 14780 22342 10674 21683 11717 4273 7512 3461 30920 2771 12821 5172 1144 1540 5698 7019 17250 30393 7578 14665 23464 7467 39812 4554 5860 16109 4458 9238 18219 8409 5728 3845 9657 3290 10899 10864 10783 6908 12861 12739 9858 14428 8398 17381 24541 22821 19932 47707 7123 14377 10422 8823 12370 12558 2464 8848 3989 36890 18733 14242 2860 3370 2679 880.6039m/z_5.51ri 6281 7101 3319 11161 29271 7912 12597 5201 6390 5220 5030 7086 7964 10204 6654 5391 7974 15376 12736 12623 6288 5337 14838 2498 2207 5210 9254 11061 11569 7992 11377 25895 6958 10722 5859 8074 16155 12419 16305 24854 19212 11972 15302 13958 9293 13417 15640 17289 15101 20764 24462 14781 1747 13208 15540 7811 11871 15379 14722 7783 14612 6747 14285 9310 14602 3661 8665 17858 16422 6137 16881 5822 6284 6029 922.5789m/z_5.52ri 13775 14818 6544 18705 17828 10804 16952 7635 7554 10407 12087 12958 16419 11374 13860 13093 8813 9445 6675 18344 6476 12181 9105 1897 1932 9024 10974 16129 20075 10372 14153 21602 8430 15775 12498 13339 17958 9379 15368 13880 17775 14811 13453 14489 7957 14006 14441 16184 17446 19618 13611 13130 5976 14556 17308 14747 15395 18535 13640 11176 14045 15257 15475 16981 16641 5016 13743 11745 19439 14050 15731 5936 6927 6067 820.5616m/z_5.62ri 26473 13506 15223 23376 22239 23698 18690 17376 16303 11463 18131 19750 17923 15535 22018 20401 19769 17099 7390 31379 17328 15927 13696 4802 7496 17947 21364 20595 20444 10916 18873 27308 16099 19215 13387 15362 23314 7902 21086 19023 23319 18274 17844 19330 14747 17069 17928 16302 18710 25017 12642 17074 6383 13115 22001 14682 17965 23177 17982 11778 17312 17037 19082 24671 20581 10524 14789 12969 20736 12351 19977 9067 10334 9787 830.5914m/z_5.62ri 778237 372826 420728 710464 652945 701883 546721 506935 472308 308395 526272 598521 530781 401230 659065 587677 563271 524968 186188 990934 515797 467311 376856 111185 167965 554031 601204 595002 584637 289058 530515 821904 475685 531031 359599 426560 651241 172294 585252 553879 686378 527322 545474 499071 378719 449642 529447 462708 540622 737457 359696 497796 159138 370585 643003 419632 516365 704957 490618 318531 528489 509345 516384 699957 603387 255016 408370 393451 544550 325954 587010 255661 289413 263013 898.5793m/z_5.63ri 29434 17284 21014 25305 24682 26297 25529 22803 22770 16661 22449 23777 22191 19850 27618 25841 23593 24502 11598 28824 22173 21667 19040 7921 10795 24395 25251 23556 26614 14936 22678 29314 19783 23496 16260 20556 27353 11326 25889 24028 27138 24435 19857 25418 19480 22495 23763 23236 24924 29625 18157 22989 9589 18456 26379 19265 25586 27159 24071 17675 21523 24364 25970 28703 24388 14417 19892 16393 26641 17618 25473 13218 15373 15138 856.6071m/z_5.79ri 24934 36582 17888 48361 42139 24107 46906 24408 20473 18344 29527 40288 37105 22013 40733 26195 29939 23394 14580 44064 20653 29120 19907 5623 3999 16329 26273 37845 46090 24731 45927 92948 22198 31308 33278 33888 70321 7109 51922 34425 70315 48394 84268 53788 16886 45015 67554 46360 51806 86510 32419 51044 9046 24211 68125 36900 37159 58646 35209 31080 62151 35635 48710 35591 56149 9175 41197 35907 44236 27136 69186 39988 45287 41570 742.5385m/z_5.8ri 59126 9557 10505 35718 42087 97411 19390 34851 30644 8035 45263 22410 30148 15874 47941 35915 29962 30404 4536 79826 30153 17356 13362 5456 15076 38173 35929 47765 16792 7916 13526 22265 34615 19931 6344 9786 14323 3209 11807 14051 14992 9454 4683 11983 14888 7996 8844 6486 8153 16974 5784 11184 5349 12589 15326 10274 14066 21648 20849 11351 12754 8561 13322 16632 14432 16193 10357 6307 21026 6691 12591 8620 9028 8315 774.5414m/z_5.81ri 11084 7597 11404 10646 9637 7912 17414 5894 6258 6488 8001 16256 7878 9131 9864 7692 4894 8735 3983 13437 3589 8615 6555 1876 1484 5504 10087 6889 13007 7227 11391 16920 7835 12186 7546 10493 11491 3548 9841 17305 10991 12062 8139 10428 5768 10073 11035 10512 9389 12568 15497 10911 3957 9462 13243 16328 15412 13206 14137 4709 6476 16993 11124 12058 8888 2979 10990 9514 21044 12132 13388 6124 6056 5390 844.6082m/z_5.95ri 16611 4773 9727 8862 13303 11988 21169 10838 9117 3996 9215 22438 11807 11442 15644 11204 14609 9462 3150 20046 11534 9538 6299 2398 2872 10346 12716 10138 24187 4702 29071 41525 8629 22112 8776 14901 27250 3986 29183 9323 41408 19756 16307 22254 7649 17921 18842 19735 26597 38062 7858 24818 1702 4999 33741 6978 29167 33086 18793 9150 15781 10724 25349 23672 28056 4680 12100 11370 20229 6804 30842 1416 1271 1297 806.6012m/z_6.06ri 6297 6983 6008 8116 7153 6566 11278 4215 3764 3712 4806 6467 6287 4781 4574 5875 3986 4184 2632 9535 3330 6612 3331 1511 1558 3726 6100 5713 9631 6196 11554 15841 4044 7762 8644 13308 13954 4190 12711 8553 14985 10883 16505 10895 3883 11854 9125 10798 11237 12559 6015 11432 2221 4029 15040 12088 8372 16172 9909 7045 12956 7377 11193 7842 11620 2217 10242 10702 9565 7608 12495 4562 4936 4538 855.659m/z_6.1ri 10689 15271 10469 19320 15200 8101 18734 14825 8899 12173 14100 12930 18137 13491 13607 8037 10287 10848 9117 14305 9858 13478 7135 6426 3842 8938 11102 14450 20884 14918 18512 18378 8303 22759 12819 20368 24853 6677 24767 28254 28650 17899 15485 23903 8850 21184 17444 21033 22612 18453 11942 26923 7400 8270 23922 23000 23714 20233 25368 13795 17080 20134 22995 27813 19253 7440 23023 16591 26686 13453 27833 33637 37776 34387 832.6071m/z_6.12ri 47345 30867 28212 66967 46629 45498 53200 40941 28853 24783 35927 48862 34430 37305 43112 38791 49200 31812 14784 68472 35751 33041 23795 6823 9210 39953 42732 41202 51623 30703 61289 112881 38785 44251 37113 51650 86412 19180 55777 65835 79965 62183 100745 59327 29358 45389 71108 55567 53724 91628 39028 53772 16391 47727 78395 53076 44370 72159 49041 41635 82688 49175 55896 59813 73305 18944 40719 41461 48965 34855 59157 34307 37798 34072 831.6589m/z_6.7ri 11750 14913 21974 14633 18323 11073 50408 10003 10649 10613 13184 12734 19008 13187 13557 9726 8844 11100 7089 24093 10968 16204 7988 5119 3241 7098 11843 17046 49040 10817 46096 37623 9793 44611 10696 13407 45560 5510 36729 19759 32419 17297 12909 57019 7300 48709 50707 35944 32738 35932 7748 41968 6145 7553 57678 14421 41745 43594 32873 11273 22840 14738 40529 13017 21372 6170 19549 11927 45398 8940 63581 41965 45161 40981 844.6447m/z_6.93ri 4585 7098 4375 5814 5091 4990 7762 5920 5726 5432 5468 6479 4752 5895 5318 5176 4000 5113 3442 6689 4129 4128 3846 2570 2327 4827 4649 3794 5670 4827 7681 13740 4241 7138 11129 11341 15567 6646 12314 13067 15588 11668 18197 10024 5001 8841 9577 9513 10270 12215 8110 9589 6414 4555 10815 11365 7686 11344 9110 7195 15173 13879 9128 11803 13754 3559 9605 10540 9190 9487 7670 6405 8860 8667 828.6571m/z_6.96ri 4199 7156 5531 3890 3965 3691 12757 3917 4492 4303 3264 5075 3930 5484 3731 5266 3335 5419 2881 10320 4796 4598 4038 1995 1496 5185 5231 3882 10200 5284 13329 18450 3840 10866 8450 7605 23342 4779 13306 10840 14845 9893 9153 19894 3297 16219 21480 11500 9998 16378 5479 15116 4793 3227 19661 9403 12094 19357 11115 5689 17516 12819 15349 9908 14421 2738 9631 8425 19108 7095 16902 8886 11298 10321 845.6695m/z_7.02ri 7565 9844 8907 12216 13312 8386 10605 6221 7405 7255 9400 8647 14936 8648 8711 6231 5609 8435 5245 15996 6551 11765 5611 3320 1902 4521 8673 12452 12345 8033 15708 12790 6473 14710 6229 9114 13181 4464 13238 13375 17323 11859 10908 13008 4816 13183 10283 10208 10704 11888 5182 14520 3952 5819 15780 8435 13114 12476 11009 7676 9909 9381 11605 9160 9658 3881 13223 7831 10721 5605 17987 18187 21269 17668 859.6908m/z_7.37ri 10989 14028 15683 15078 18080 11721 20277 10083 10296 10787 14114 12477 20520 13536 12648 8945 8725 11697 7838 26688 8837 17463 7748 5589 3412 6825 12720 17694 18539 13542 23726 27145 8721 23144 8846 13134 30701 5767 22769 19556 26273 16129 16929 24443 5941 23009 19816 22090 20217 23124 7146 25085 4766 8820 32660 14701 20041 22806 20319 11079 21276 14946 20257 15236 20958 5616 18712 11313 18657 7593 27762 30960 35771 31613 682.5943m/z_7.6ri 4104 10188 3586 9760 9739 4094 21136 10746 2877 5321 6012 14680 4687 28386 4017 4452 6996 3539 1934 11436 2230 7288 2304 2420 1357 2968 3564 5546 15410 6914 24892 42664 3371 18943 14350 29951 35376 8523 36512 17059 38996 16939 44902 20387 2081 17810 19950 33330 29796 29114 10611 26190 4986 2702 24859 16636 20728 28373 29642 15613 33959 16291 16699 16071 27598 1629 18263 17760 17479 9938 25278 22413 25510 23924 656.5769m/z_7.63ri 6883 6383 6162 8840 8266 6927 28923 10258 3976 5389 5749 15554 5781 33791 4909 9079 7818 4062 1929 15718 3226 5841 3020 2189 2402 3717 3707 6124 22116 5666 33702 43572 5107 22168 5851 10639 37461 4408 28839 8600 24915 9128 13497 30937 2353 26482 30371 25639 23645 29336 4203 24722 2751 3646 31446 7432 23494 36207 19989 7085 23132 8019 16439 8005 19537 1864 9467 8207 21727 4417 33037 26141 28058 25532 666.6041m/z_7.63ri 7316 6575 5683 9304 8666 6740 28152 11233 4559 6073 6234 16451 5723 36604 5370 8902 8961 4747 2311 15982 3164 6720 3240 2350 2587 3791 4234 6525 22235 6360 33302 43317 5043 23958 6284 11425 41053 4747 30606 9770 25317 10914 12972 33000 2869 28278 32565 27687 24260 30141 4625 27372 2710 4279 34282 8924 26673 37615 20322 8112 23782 10257 19977 8281 18807 2074 10187 7963 21088 5083 34072 25030 28546 26291 670.5934m/z_7.96ri 4434 5184 3479 10029 9638 7349 11687 7295 2993 4010 6864 13973 5223 33434 3987 5678 6166 3056 1444 13790 2308 5942 2295 1900 1408 2830 3634 7664 10024 5745 13951 18045 3767 11077 4280 9567 12212 4687 14511 7555 16336 6649 9956 9735 1926 9359 7528 10053 10921 10655 4682 11616 1888 2758 11228 5700 11844 12514 11390 6900 8960 6351 7015 7060 10266 1572 7808 6161 6740 3817 13205 25620 27821 24909 680.6197m/z_7.96ri 5185 6448 3940 12488 10784 7824 13043 8583 3378 4797 8315 16769 6336 37416 5055 7238 6717 4383 2049 15339 2571 7805 2728 2428 1673 4082 3923 8973 11722 6127 16728 20900 4466 13511 5107 11140 14443 5281 16875 9008 17813 8712 12455 11452 2134 11251 8701 12047 13046 12686 5700 14217 2494 3218 12613 6847 13701 14997 13371 8588 11200 7028 8438 8595 11750 1591 9828 7157 8496 4132 13938 25041 28557 24832 694.6354m/z_8.27ri 10682 16153 8366 22225 22665 16008 30386 15640 6273 7738 17845 21667 15869 52815 10416 10743 10958 7601 3380 34451 4624 17148 4219 3813 3369 5419 6530 18766 24806 11015 36731 57360 6982 27968 12103 21795 44006 12132 36607 20057 40423 18491 29854 26576 2901 27417 25536 32686 30756 36133 11708 30799 7116 6987 36894 25678 25066 39406 32727 16970 39382 19003 19097 26968 36971 2760 22373 13770 22866 10251 27830 71763 87446 77032 684.6073m/z_8.27ri 9722 12766 7161 18150 21655 14077 25402 13156 4804 6316 15370 19140 13357 44093 8958 10255 8721 6187 2928 31711 4243 13747 3314 3259 3205 4155 5472 17879 22067 9395 34924 49995 5417 24504 9625 17718 40087 10255 31068 16882 33183 15800 26059 22145 2636 23184 20336 27717 24427 28432 9010 25716 5611 5485 30016 20264 21296 33790 27117 15608 33560 16339 16954 20044 32607 2268 20482 11860 18867 7788 24436 90357 103732 91191 794.6231m/z_8.54ri 13364 11043 4510 136341 39962 27672 16231 17576 8222 31992 28623 26713 19746 32207 50705 10617 13315 12004 11261 56678 10267 8954 6554 2018 4445 17666 7461 33436 16962 12795 7242 14033 15903 15415 16562 23162 9914 11099 10714 31369 9794 23154 10664 7280 12381 6498 6886 6815 6833 8275 32841 12121 18313 9166 8194 21022 6973 6413 13834 15479 8633 55178 6147 74237 10134 14115 30498 12051 8388 19273 10927 1925 2620 2399 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 Cer (d42:2) B 692.6182 7.6 Fiehn FA (18:1) 281.2484 3.19 Fiehn FA (18:2) 279.2327 2.75 Fiehn LPC (16:0) 540.3306 1.41 Fiehn 10917802 LPC (18:1) 566.3462 1.56 Fiehn 53480465 LPC (18:2) 564.3307 1.17 Fiehn 56955896 PC (34:2) 802.5604 4.98 Fiehn PC (35:2) 816.5761 5.3 Fiehn PC (36:4) 894.5484 4.89 Fiehn PC (36:4) A 826.5604 4.89 Fiehn PC (38:4) 854.5922 5.52 Fiehn PC (38:5) 852.5759 4.94 Fiehn PC (38:6) 850.5611 4.73 Fiehn PC (40:6) 878.5924 5.35 Fiehn PC (40:8) 874.5616 4.37 Fiehn PE (34:2) B 714.5079 5.15 Fiehn PE 36:4 738.5063 5.04 Fiehn 57339246 PE (38:6) B 762.5147 4.92 Fiehn PE (40:4) A 840.5757 5.2 Fiehn PG 36:1; GPGro(18:0/18:1) 766.54 5.69 Fiehn PI (34:2) 833.5193 4.4 Fiehn PI (36:2) 861.5486 4.98 Fiehn PI (36:4) 857.5184 4.33 Fiehn PI (38:4) 885.5507 4.89 Fiehn PI (38:5) 883.5353 4.39 Fiehn PI (40:6) 909.5453 4.76 Fiehn plasmenyl-PE 36:4 722.5131 5.34 Fiehn plasmenyl-PE (38:6) 746.5112 5.16 Fiehn PS (42:8) 918.5506 4.74 Fiehn SM (d34:1) 747.5646 4.69 Fiehn SM (d34:2) 745.5495 4.19 Fiehn SM (d42:2) B 857.675 6.67 Fiehn CSH_negESI #071 1616.1854 5.63 CSH_negESI #140 568.3622 2.16 CSH_negESI #394 760.5564 4.79 230.997m/z_0.42ri 230.997 0.42 217.0312m/z_0.42ri 217.0312 0.42 215.0331m/z_0.42ri 215.0331 0.42 179.0563m/z_0.43ri 179.0563 0.43 612.3296m/z_1.09ri 612.3296 1.09 588.3306m/z_1.14ri 588.3306 1.14 319.2276m/z_1.26ri 319.2276 1.26 533.2917m/z_3.09ri 533.2917 3.09 579.3894m/z_3.67ri 579.3894 3.67 446.3761m/z_4.24ri 446.3761 4.24 859.5314m/z_4.44ri 859.5314 4.44 800.5454m/z_4.51ri 800.5454 4.51 840.5344m/z_4.73ri 840.5344 4.73 377.2726m/z_4.79ri 377.2726 4.79 876.5739m/z_4.81ri 876.5739 4.81 816.5338m/z_4.89ri 816.5338 4.89 788.5251m/z_4.96ri 788.5251 4.96 792.5315m/z_4.98ri 792.5315 4.98 1560.1206m/z_4.98ri 1560.1206 4.98 828.5765m/z_5.06ri 828.5765 5.06 887.5596m/z_5.09ri 887.5596 5.09 764.5346m/z_5.11ri 764.5346 5.11 946.5762m/z_5.35ri 946.5762 5.35 778.5602m/z_5.39ri 778.5602 5.39 872.5651m/z_5.46ri 872.5651 5.46 790.5415m/z_5.51ri 790.5415 5.51 880.6039m/z_5.51ri 880.6039 5.51 922.5789m/z_5.52ri 922.5789 5.52 820.5616m/z_5.62ri 820.5616 5.62 830.5914m/z_5.62ri 830.5914 5.62 898.5793m/z_5.63ri 898.5793 5.63 856.6071m/z_5.79ri 856.6071 5.79 742.5385m/z_5.8ri 742.5385 5.8 774.5414m/z_5.81ri 774.5414 5.81 844.6082m/z_5.95ri 844.6082 5.95 806.6012m/z_6.06ri 806.6012 6.06 855.659m/z_6.1ri 855.659 6.1 832.6071m/z_6.12ri 832.6071 6.12 831.6589m/z_6.7ri 831.6589 6.7 844.6447m/z_6.93ri 844.6447 6.93 828.6571m/z_6.96ri 828.6571 6.96 845.6695m/z_7.02ri 845.6695 7.02 859.6908m/z_7.37ri 859.6908 7.37 682.5943m/z_7.6ri 682.5943 7.6 656.5769m/z_7.63ri 656.5769 7.63 666.6041m/z_7.63ri 666.6041 7.63 670.5934m/z_7.96ri 670.5934 7.96 680.6197m/z_7.96ri 680.6197 7.96 694.6354m/z_8.27ri 694.6354 8.27 684.6073m/z_8.27ri 684.6073 8.27 794.6231m/z_8.54ri 794.6231 8.54 METABOLITES_END #END