#METABOLOMICS WORKBENCH Lxu_20240905_043723 DATATRACK_ID:5171 STUDY_ID:ST003466 ANALYSIS_ID:AN005697 PROJECT_ID:PR002122 VERSION 1 CREATED_ON September 5, 2024, 7:41 pm #PROJECT PR:PROJECT_TITLE Early Metabolic Shifts in the Sepsis: Insights from Presymptomatic Patients and PR:PROJECT_TITLE In Vivo Models. PR:PROJECT_SUMMARY Metabolomics of human serum to support understanding of early metabolic shift in PR:PROJECT_SUMMARY presymptomatic sepsis patients and further confirmed in in vivo model. PR:INSTITUTE Leibniz Institute for Natural Product Research and Infection Biology Hans Knöll PR:INSTITUTE Institute PR:DEPARTMENT Microbiome Dynamics PR:LAST_NAME XU PR:FIRST_NAME LINLIN PR:ADDRESS Beutenbergstraße 11a, Jena, Thuringia, 07745, Germany PR:EMAIL Lin-Lin.Xu@hki-jena.de PR:PHONE +4936415321265 #STUDY ST:STUDY_TITLE Lipidomics of mice liver to support understanding of early metabolic shift in ST:STUDY_TITLE presymptomatic sepsis patients. (Part11 mice liver lipid) ST:STUDY_SUMMARY Sepsis, a life-threatening organ dysfunction caused by a dysregulated response ST:STUDY_SUMMARY to infection, is a critical medical condition with significant global impact, ST:STUDY_SUMMARY responsible for 48.9 million cases and 11 million deaths annually. Metabolic ST:STUDY_SUMMARY dysregulation in sepsis is a critical determinant of disease outcome, yet most ST:STUDY_SUMMARY studies focus on patients after severe illness onset, comparing septic versus ST:STUDY_SUMMARY non-septic groups or survivors versus non-survivors. To truly understand this ST:STUDY_SUMMARY complex disease, it is essential to investigate early metabolic shifts, ST:STUDY_SUMMARY capturing the transition from simple infection to sepsis. Our untargeted ST:STUDY_SUMMARY lipidome analysis of liver from mice model revealed early septic biomarkers in ST:STUDY_SUMMARY liver. ST:INSTITUTE Leibniz Institute for Natural Product Research and Infection Biology Hans Knöll ST:INSTITUTE Institute ST:DEPARTMENT Microbiome Dynamics ST:LAST_NAME XU ST:FIRST_NAME LINLIN ST:ADDRESS Beutenbergstraße 11a, Jena, Thuringia, 07745, Germany ST:EMAIL Lin-Lin.Xu@hki-jena.de ST:PHONE +4936415321265 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Not applicable #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS Bl6J_23_0194 SA020910 Sample source:Liver | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-026-SA020910_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-026-SA020910_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0200 SA020942 Sample source:Liver | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-025-SA020942_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-025-SA020942_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0204 SA020970 Sample source:Liver | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-029-SA020970_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-029-SA020970_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0271 SA021005 Sample source:Liver | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-033-SA021005_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-033-SA021005_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0190 SA020889 Sample source:Liver | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-015-SA020889_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-015-SA020889_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0196 SA020917 Sample source:Liver | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-020-SA020917_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-020-SA020917_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0272 SA021012 Sample source:Liver | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-012-SA021012_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-012-SA021012_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0269 SA020991 Sample source:Liver | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-022-SA020991_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-022-SA020991_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0198 SA020929 Sample source:Liver | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-013-SA020929_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-013-SA020929_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0193 SA020903 Sample source:Liver | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-021-SA020903_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-021-SA020903_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0189 SA020882 Sample source:Liver | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-031-SA020882_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-031-SA020882_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0197 SA020924 Sample source:Liver | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-010-SA020924_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-010-SA020924_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0270 SA020998 Sample source:Liver | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-032-SA020998_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-032-SA020998_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0273 SA021019 Sample source:Liver | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-011-SA021019_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-011-SA021019_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0202 SA020956 Sample source:Liver | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-027-SA020956_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-027-SA020956_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0268 SA020984 Sample source:Liver | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-017-SA020984_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-017-SA020984_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0192 SA020896 Sample source:Liver | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-018-SA020896_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-018-SA020896_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0199 SA020935 Sample source:Liver | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-034-SA020935_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-034-SA020935_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0203 SA020963 Sample source:Liver | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-028-SA020963_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-028-SA020963_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0201 SA020949 Sample source:Liver | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-014-SA020949_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-014-SA020949_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0267 SA020977 Sample source:Liver | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-019-SA020977_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-019-SA020977_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0274 SA021026 Sample source:Liver | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-024-SA021026_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-024-SA021026_pos.mzML SUBJECT_SAMPLE_FACTORS NA Blank_PB Sample source:blank | Group:Blank RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-045-Blank_PB_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-045-Blank_PB_pos.mzML SUBJECT_SAMPLE_FACTORS NA Blank_004 Sample source:blank | Group:Blank RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-044-Blank_004_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-044-Blank_004_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_001 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-006-QC_001_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-006-QC_001_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_005 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-016-QC_005_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-016-QC_005_pos.mzML SUBJECT_SAMPLE_FACTORS NA Blank_001 Sample source:blank | Group:Blank RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-003-Blank_001_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-003-Blank_001_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_007 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-030-QC_007_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-030-QC_007_pos.mzML SUBJECT_SAMPLE_FACTORS NA Blank_002 Sample source:blank | Group:Blank RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-005-Blank_002_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-005-Blank_002_pos.mzML SUBJECT_SAMPLE_FACTORS NA Blank_003 Sample source:blank | Group:Blank RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-039-Blank_003_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-039-Blank_003_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_006 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-023-QC_006_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-023-QC_006_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_008 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-035-QC_008_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-035-QC_008_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_004 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-009-QC_004_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-009-QC_004_pos.mzML SUBJECT_SAMPLE_FACTORS NA QC_009 Sample source:Liver | Group:QC RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-041-QC_009_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-041-QC_009_pos.mzML #COLLECTION CO:COLLECTION_SUMMARY Mice tissue samples were collected from our in vivo mice model and frozen at -80 CO:COLLECTION_SUMMARY °C. Samples were shipped to MS-OMICS for metabolomic analysis. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Approximately 30% of the cecum was ligated and punctured twice with a 23 Gauge TR:TREATMENT_SUMMARY (G) needle. A small amount of faeces was extruded and the cecum was placed back TR:TREATMENT_SUMMARY into the abdominal cavity. All animals received 40 mL/kg saline s.c. directly TR:TREATMENT_SUMMARY after the procedure and once 25mg/kg s.c. Imipenem/Cilastatin after 6 hours. TR:TREATMENT_SUMMARY This model is associated with a 14-day mortality of 30%, closely mimicking the TR:TREATMENT_SUMMARY clinical situation. Animals were orally gavaged with 500mg/kg 12C-Serin (Sigma) TR:TREATMENT_SUMMARY or 13C-Serin (CLM-1574-H-0.25 Serine-L (13C3 99%13C), Euroisotope, Germany) in TR:TREATMENT_SUMMARY 10mL/kg drinking water or drinking water only (vehicle) 6 and 18 hours after TR:TREATMENT_SUMMARY CLP98,99. After 24 hours, the animals are then perfused with ice cold PBS and TR:TREATMENT_SUMMARY organs were harvested, snap frozen and stored at -80° until further analysis. TR:TREATMENT_SUMMARY Sham animals underwent exactly to the same procedures except for the CLP. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In the different tissue samples, the pellet from the semipolar extraction were SP:SAMPLEPREP_SUMMARY used to extract lipids as follows. DCM:MeOH (3:1) were added to the pellets, and SP:SAMPLEPREP_SUMMARY the samples were homogenized using a pre-cooled Bead-beater (4 x 60 sec at 30 SP:SAMPLEPREP_SUMMARY Hz), with colling of the blocks between the beading cycles. Subsequently, the SP:SAMPLEPREP_SUMMARY samples were ultrasonicate for 5 mins and centrifuged (5 mins, 1800 RCF, 4 °C). SP:SAMPLEPREP_SUMMARY The supernatant were collected and dried under nitrogen gas. Samples were then SP:SAMPLEPREP_SUMMARY reconstitute with 6x (spleen and WAT) or 3x (heart, liver and kidney) the sample SP:SAMPLEPREP_SUMMARY weight with the reconstitution solvent eluent mix and vortex mixed for 30 sec. SP:SAMPLEPREP_SUMMARY The reconstituted samples were filtrated using SpinX filters by centrifugation SP:SAMPLEPREP_SUMMARY (5 mins, 1800 RCF, 4 °C). All samples were mixed 1: 50 in eluent mix. For serum SP:SAMPLEPREP_SUMMARY samples, an alliqoute of the serum samples are mixed with extraction solvent SP:SAMPLEPREP_SUMMARY (0.1 M BHT in isopropanol with stable isotope labelled internal standard) in a SP:SAMPLEPREP_SUMMARY Spin-X® filter. The filters were vortex-mixed for 60 sec and left at room SP:SAMPLEPREP_SUMMARY temperature for 10 mins before placing in -20 °C Freezer overnight. The SP:SAMPLEPREP_SUMMARY following day samples were left at room temperature for 30 mins before SP:SAMPLEPREP_SUMMARY centrifuging (1800g /4°C/2 min). The filtrate were mixed with eluent mix 1:3. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 60% Acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% Isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 0-2 min: 40 % B, 2.1 min 50% B, 12 min 54% B, 12.1 min 70% B, 18-20 min 99 % B, CH:FLOW_GRADIENT 20.1-22 min 40% B CH:FLOW_RATE 0.4mL/min CH:COLUMN_TEMPERATURE 55 CH:METHODS_FILENAME Doneanu_etal.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MS-Omics, Denmark AN:ANALYSIS_PROTOCOL_FILE Doneanu_etal.pdf #MS MS:INSTRUMENT_NAME Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Peak areas were extracted using Compound Discoverer 3.2 (Thermo Scientific) and MS:MS_COMMENTS Skyline 21 (MacCoss Lab Software) . Compound annotations were performed against MS:MS_COMMENTS the mzCloud (Thermo Scientific) MSMS library, the Human Metabolome Database 4.0 MS:MS_COMMENTS , and the MS-Omics lipid library covering 17 classes (CerP, DG, DGDG, Fatty MS:MS_COMMENTS acids, LysoPC, LysoPE, MG, PA, PC, PE, PG, PI, Plasmenyl-PC, Plasmenyl-PE, PS, MS:MS_COMMENTS SM and TG). Identification of compounds were performed at four levels; Level 1: MS:MS_COMMENTS identification by retention times (compared against in-house authentic MS:MS_COMMENTS standards), accurate mass (with an accepted deviation of 3 ppm), and MS/MS MS:MS_COMMENTS spectra, Level 2a: identification by retention times (compared against in-house MS:MS_COMMENTS authentic standards and lipid class behaviour), accurate mass (with an accepted MS:MS_COMMENTS deviation of 3ppm). Level 2b: identification by accurate mass (with an accepted MS:MS_COMMENTS deviation of 3 ppm), and MS/MS spectra, Level 3: identification by accurate mass MS:MS_COMMENTS alone (with an accepted deviation of 3 ppm). Lipid annotations were curated MS:MS_COMMENTS manually by comparing retention time behaviour over the number of tail chain MS:MS_COMMENTS carbons and double bonds as annotated. The data have been normalized to the QC MS:MS_COMMENTS samples to remove systematic drift over the analysis sequence. The normalization MS:MS_COMMENTS is performed using linear regression for the QC’s within each analytical batch MS:MS_COMMENTS with signal = a*injection number – b. Each value is then normalized with: MS:MS_COMMENTS normSignal = average(all QC samples)*(signal – injection number*a)/b. This is MS:MS_COMMENTS done independently for each compound. MS:MS_RESULTS_FILE ST003466_AN005697_Results.txt UNITS:Normalized peak area Has m/z:Neutral masses Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized peak area MS_METABOLITE_DATA_START Samples SA020882 SA020889 SA020896 SA020903 SA020910 SA020917 SA020924 SA020929 SA020935 SA020942 SA020949 SA020956 SA020963 SA020970 SA020977 SA020984 SA020991 SA020998 SA021005 SA021012 SA021019 SA021026 Factors Sample source:Liver | Group:CLP (24h) / 13C-Serin Sample source:Liver | Group:CLP (24h) / 13C-Serin Sample source:Liver | Group:CLP (24h) / Vehicle Sample source:Liver | Group:Sham / 13C-Serin Sample source:Liver | Group:Sham / 13C-Serin Sample source:Liver | Group:Sham / Vehicle Sample source:Liver | Group:CLP (24h) / Vehicle Sample source:Liver | Group:Sham / Vehicle Sample source:Liver | Group:CLP (24h) / 13C-Serin Sample source:Liver | Group:CLP (24h) / 13C-Serin Sample source:Liver | Group:Sham / Vehicle Sample source:Liver | Group:Sham / 13C-Serin Sample source:Liver | Group:Sham / 13C-Serin Sample source:Liver | Group:CLP (24h) / Vehicle Sample source:Liver | Group:CLP (24h) / 12C-Serin Sample source:Liver | Group:CLP (24h) / 12C-Serin Sample source:Liver | Group:Sham / 12C-Serin Sample source:Liver | Group:Sham / 12C-Serin Sample source:Liver | Group:Sham / 12C-Serin Sample source:Liver | Group:Sham / 12C-Serin Sample source:Liver | Group:CLP (24h) / 12C-Serin Sample source:Liver | Group:CLP (24h) / 12C-Serin Cer 17:1;2O/16:0 31619915.2732835 24518145.9540858 24662068.4376764 19362095.9131592 14173371.2514521 20714577.4458942 41124106.1214646 31645114.1127193 26277680.6361708 36397321.107797 21952576.8091499 17842981.8419664 14369192.1671494 24079817.0207453 31917142.4743174 18273688.3051995 24758504.4195191 22079167.5326392 18770361.1504414 25807437.2077997 33827390.7337919 37850458.441834 Cer 17:1;2O/24:1 37588053.3315516 28087080.3757374 29293592.6222792 34712785.2466355 36470168.6238201 34145690.7592078 41912599.083089 50038453.4788958 31613084.883133 31944348.9810021 50028532.8863983 28887337.0589597 34785996.6890435 19754917.8078088 23228574.5192801 21820795.2562273 41895997.0837591 44340369.9872789 53103144.1387977 46731608.8398001 32669418.3330438 30196210.7678937 Cer 18:0;2O/16:0 14123875.1947204 16095582.7183158 12307686.6575953 5089846.69601638 4359303.5106105 7173258.03539541 39159280.0699225 10673566.5148635 18464862.9665282 29214241.7903904 7932337.14858899 5218357.67859531 6459781.01715595 33210272.1713479 16592070.5247549 10185451.393372 9279731.8373294 9021188.22821481 6028323.95153601 8845900.97944972 20694932.0670906 38942378.7760284 Cer 18:0;2O/24:1 8552941.10256822 13738002.5525967 18026115.8477677 5081643.3358776 3927356.48881243 5251471.50950774 38713492.9278641 11004394.8047121 28042725.9252848 37980154.392816 6097042.42360329 7852663.94714594 6546296.38469867 17036208.1542033 11744001.4636957 12196865.3599039 7533759.40192021 6843938.79374973 6860435.15043342 7688848.62714698 24521197.4044368 51078589.2605434 Cer 18:1;2O/16:0 520510839.054142 701929148.01473 529941369.700572 315821401.901925 322992725.943113 366999229.149177 839389522.068561 417283741.741331 548920658.468755 713502657.769582 363975663.437843 382384269.097272 281362722.32387203 633466729.007511 428861543.183255 363020593.612113 352548487.102758 350142256.074376 269677822.96277 335940819.955742 491066929.375601 518446394.665154 Cer 18:1;2O/18:0 22682649.7249676 17978658.8548476 10459417.6528275 12960217.5164523 23939815.5782036 12731703.6314234 35935263.7101782 20505026.2884005 13023399.3768303 20083964.5586121 14690787.0030679 21455973.4644859 11889406.7729298 40942286.0158606 25435490.961474 14475651.9802713 13197073.4892184 12819044.1195169 10066613.9939411 11175787.4043569 21127735.9856515 31995440.1582339 Cer 18:1;2O/20:0 44149404.2248224 33537520.5898091 20127259.4492994 22016735.5958907 24298856.484284 34764954.8481285 71435758.046627 43911716.4766232 31607951.3534256 39531968.6319665 21424628.5281202 32857750.8817626 30309248.2384356 46820637.1176174 43103921.9942812 34127883.5632389 25227248.9087419 26319607.1846681 22402429.6427164 23918506.0871137 40341815.1397175 66026787.1460822 Cer 18:1;2O/22:0 131199820.278955 93278920.8945205 71993189.140569 99424174.5738685 101991186.049797 175745648.02773 202698805.85489 196759062.115555 118092909.526742 137616978.096921 91949669.6114456 142428908.475735 133365830.587123 123575372.89977 107651539.424662 124206478.669196 112859408.329908 126724181.354887 136445470.185463 119402274.191929 115799728.857953 212769018.029515 Cer 18:1;2O/22:1 65069161.5571501 65543442.758381 76835868.036874 29537815.5007569 59139452.7592461 49172103.5885058 129949046.308702 70106003.8767422 103065508.511983 118941191.557609 101666050.531967 39548358.9397439 50779228.2739527 59882846.0742315 110225571.994828 95573127.6133226 109012036.071238 103430054.910573 123864236.449472 100892435.310993 136195475.671465 231274393.663263 Cer 18:1;2O/22:2 3999509.65628523 3457030.32117192 3757875.12368646 1374069.49484643 1992737.18660521 3862677.7020503 7549597.06589011 3656509.32711713 4409086.19916599 5982651.67409471 3708360.79707818 1391167.69345615 2081468.08191084 3046260.80376173 7664161.7029407 6521609.1789597 7249138.3512493 6641676.62469713 4690412.222125 6810690.68281504 9407871.94121153 10070202.089091 Cer 18:1;2O/23:0 51080753.3361284 37192604.9164393 20145741.5353863 49392369.7273249 63963361.7401782 53379836.8584408 51423343.577011 77732208.5851322 24705707.652247 38726162.2117718 28737172.8677668 63413971.1944382 43586708.8327524 51083893.6371911 30303723.1509825 37072892.0577331 32045778.38196 36885255.3245902 38739103.3489211 33974377.9353768 30701140.1404011 48984388.7269228 Cer 18:1;2O/24:0 95447072.1211776 69613813.3535727 52295780.7537078 84936813.0179153 104533753.132725 92937058.1784569 159125194.065408 133669824.940093 82711327.7075309 111210495.88588 59723201.2986766 120936280.394356 79827748.2055155 111515849.222661 86563254.2291423 100893108.973563 65143998.8669862 68658794.9303277 77583064.7781574 74324927.6966499 86924581.0527222 168769481.985167 Cer 18:1;2O/24:1 629666545.249837 771484111.074033 737249300.348752 559810020.274838 611511014.090608 549267991.033864 1257659799.9065 899697207.87984 847058990.127644 938771983.924595 782868173.625992 543506812.431257 671807776.691713 430888697.72166 396085182.604243 442595436.101676 672476844.095052 693420062.296081 698650329.547596 707428542.76692 546153506.893477 743784420.573302 Cer 18:1;2O/24:2 145877891.047769 148775200.644946 140597649.395003 116669506.884851 124564105.76984 115847128.855457 225782970.375804 181764712.886347 149701874.361655 165414267.679697 150293431.401115 106925832.356533 134539011.637821 84933884.9826994 95524773.9377294 91273480.1746966 160429455.276563 173354229.948405 151407802.072902 148021558.083278 110919480.338662 136387890.679479 Cer 18:1;2O/24:3 6041630.08994704 3392126.80135499 3529834.64426659 3574775.18378523 3984644.90852808 3774032.47685937 4216828.30183617 5107391.79664498 2728669.19855394 3106192.94894333 3051745.51371154 3038456.6870985 3975003.24426779 1596291.50155479 3609829.92720693 2537660.96998623 4226164.10966975 4527509.53752263 2802252.46781657 3591161.67520467 3419254.82291536 2294963.43591685 CL 18:1/18:2/18:2/18:2 34152988.3346563 41629125.6652432 31944698.6018182 65344588.0485077 111212581.869054 77231164.2581268 32936184.2755945 54017894.7126728 27933203.6338911 28566882.8428952 27790155.3473851 126361782.860785 37861515.3032882 70206757.0352508 47164565.3747782 81325109.9645414 23712685.4955052 27730838.7473344 26172160.0919168 31065952.3638634 40099254.4477464 39018754.4470433 CL 18:2/18:2/18:2/18:2 85239582.6519457 133010862.202982 90346332.3587063 192379343.565656 299588304.276922 234843761.546771 114782741.336844 163948655.625499 85443374.2616379 71924596.9528843 64773253.5013592 312904794.730785 133551365.129526 183992269.190301 144548334.288536 238008367.164888 72569696.3042504 87961971.3684896 69071364.6842312 108960411.74458 123530042.339347 89324384.8618806 DG 16:0/18:1 4047016.64355464 1331090.53010144 1899759.23559888 4788489.92801977 1322611.30584612 4505637.29799152 1914733.09805369 4173605.08457252 2003062.99921142 2258074.45176878 6135366.02313339 13182387.5058254 1181443.12455625 13897516.9082439 3864616.07869713 3909843.98531581 7055117.40804159 5877998.68034644 6260815.60789625 5481230.08253211 6986101.43425718 10173043.8797099 DG 16:0/18:2 660050364.959843 253207496.926751 333472983.173883 746973525.458569 45131855.0527889 718259483.433232 356366390.968671 635003281.415273 487574941.506566 382897369.475584 477645525.283035 2154553373.30926 218992649.114992 2172139726.78488 784203006.529433 654571093.854286 811941729.904755 807513590.089395 697474315.175045 697740952.398468 1118400237.60437 1249194397.23123 DG 16:0/22:6 168606654.668891 183676104.146921 167135113.783103 216990583.552221 7685096.57925908 210846532.140741 187749011.23539 190636730.506473 177376872.463122 199971162.371884 232529157.025815 317496931.760821 88746068.2684497 406961067.057813 90793811.9013451 64444301.2319283 172749950.3641 212737365.910712 228959752.111412 148777846.497123 120659968.778695 198558220.677775 DG 16:2/18:2 189549690.189 3576481.43765469 3712987.75588981 177907854.968882 5751462.31715198 38072220.0435338 8517469.07740925 31284638.0712384 4939477.74583803 4623575.93879973 9355573.64434098 191748755.790198 4183489.82263446 536106649.165299 191809971.212045 101855413.885652 42932231.8664297 29842000.920582 22913930.0408988 29474712.343914 233339813.37942 133183630.444559 DG 18:1/18:1 754181633.516599 305455636.354494 291856461.096201 839977902.462825 59637248.277313 426885801.57742 154594534.345476 339107810.254656 242011370.570052 157505915.318726 387817009.622522 913591717.103659 129844654.004516 1585099669.82245 374892107.205031 393342006.569486 596003045.604521 439592940.169517 428532375.24466 479613065.942723 632526232.003998 726988035.226114 DG 18:1/18:2 1889357634.31408 159923492.405195 172999996.021678 2238106600.76349 101318044.156307 994448548.339388 271369375.649847 791723576.438297 232442025.046291 278562798.890459 381132888.521685 2886196640.30441 214537217.486124 5188716498.63453 1251501341.65112 1045688465.51868 1047233957.65 863938324.539806 551865399.440236 832566696.568722 1883663218.10578 1683768703.21153 DG 18:2/18:2 38013609.4488505 1222273.24643015 1166138.31220423 28366495.1067003 773964.79983028 11152159.7335168 2109622.1021921 9022348.8141195 1913896.67892807 1841848.57428177 1516132.40540659 45615542.1710383 1742753.46918436 102916450.556192 15475799.8648716 10454653.8617911 6085832.4469416 6075572.32369088 3718909.00285234 5319847.27304007 22069556.4623504 20148323.3672286 DG 18:2/18:3 53924570.3318919 708134.620899533 3460898.4677707 42735853.8904937 571681.43599056 32224661.4168333 8600672.32728186 28743089.1153869 2724903.98952355 3565255.3028784 20350370.5998838 239368216.659575 3951483.35865093 241575044.368302 166390908.208362 93605639.8447483 44321270.7065867 39160029.6643658 30296947.2960127 40389351.7262305 174663582.962693 147967699.158378 LPC 15:0-SN1 1465443.06437109 1821458.77663867 2215116.85273237 1289281.07643189 2144366.10024561 1614610.77050113 2123724.78920493 2671067.25861957 1633058.72712929 1534366.64999109 4071766.74769686 1071520.23037437 1270162.71203173 1273293.09215782 769505.268730215 747896.16620202 2642276.37382999 2745578.49175457 3454369.86527839 2329103.88518243 1386442.30379975 1955447.09176626 LPC 16:0-SN1 662454518.241368 567794732.539853 690961464.897736 370391251.254138 562597020.362457 618626903.947566 778608066.40288794 887305473.637635 652323566.378621 640979735.281206 1227539133.73835 443490549.35467 316330198.220115 442793831.274084 279801118.30349803 245052994.193994 883810548.166858 957237691.574428 1112868880.61205 695119881.289287 341340102.406654 996471695.464235 LPC 16:1-SN1 6931108.46376787 5682336.43816753 12320750.0080797 5275567.68413798 22976841.8639339 8373266.40049932 10352923.5753962 14851278.4445652 7493649.97925446 7100541.11878474 53785726.9558412 8383664.22679063 3730516.97303295 9910565.29151709 10029982.3551954 7485308.26502744 46186157.6468289 35573873.9115846 40697052.5552853 30986778.984556 23307642.3933464 35905557.4183954 LPC 17:0-SN1 9594469.89248427 12331095.4715183 10199554.3756238 7597493.60420753 12982229.4814958 8994313.56082251 9507659.26674205 10118390.5586564 8251835.32303348 7707419.01163543 17482278.9030593 4768532.84015815 6473794.79188194 5487035.82277437 3227535.42000137 3593908.79426006 10140480.3788298 11888443.1207692 12372902.8673662 7999776.57457977 4338741.09637617 8189889.20663424 LPC 17:1-SN1 612055.372632269 584798.004220143 1350511.22863972 466323.179727055 1074326.95553644 693099.616325216 1072337.34238643 976548.301051102 821267.292371051 550036.493979913 3243922.64119837 342524.141521076 362768.49140167 555039.84395692 479619.480140296 309088.747764158 1640953.33322409 1563655.05922827 2189942.05118536 1756669.06454337 684662.477045514 1454825.88460349 LPC 18:0-SN1 282969977.452327 444495646.220455 448667622.513977 202247791.307467 289447258.214502 272627332.952492 476989436.977281 308393327.735978 356226386.374582 428684544.672706 427803755.559171 171473387.783693 151691968.381484 209342584.117094 111965910.746092 91366740.512338 397042802.702396 377055867.276775 447044483.513314 269676054.176442 133259424.206141 411947877.512762 LPC 18:1-SN1 84842570.7427452 65173644.8367439 138164363.557484 55014167.2423145 96754126.577504 72225418.8570608 96249911.303496093 86836640.5791429 64632622.4673015 64564799.0827883 197018452.759849 41411655.3128816 34941852.4411305 61144431.5344296 39545635.7146246 37552583.7915212 133087338.687728 128652689.803797 148213854.288795 104730091.447893 42019383.1744087 110880013.096243 LPC 18:2-SN1 435871017.404461 198407275.354714 236156584.688185 203886989.16914 1648580881.62694 287677858.269455 305423065.388843 316425228.063498 186271915.571437 198620360.926514 698113404.756611 216972810.205152 126573419.353107 535337529.76736 263998679.555849 198683631.935062 1460673051.98269 703146542.626201 524501526.431236 528761534.741785 1381212996.65239 638385837.732532 LPC 18:3-SN1 8634424.50174196 2497016.68696839 4728980.2276545 3966549.23019348 19286855.8191749 4850097.59908538 5272411.39744859 7724127.15376991 3181957.60146993 2735990.83778702 12218396.9998219 5216451.81591062 2514368.13092812 7950932.75771957 5905349.37591279 4690208.87728395 16308475.3797965 12810483.2369577 11967752.8158012 9746180.50800509 16292376.3517985 11186002.0296515 LPC 19:0-SN1 6346873.96648213 7401124.73997718 5293969.09688693 4055125.87515637 6782086.54666427 3711085.40839023 4342032.05352551 5716905.9774316 3431238.29952421 3525021.53748979 7598681.02486549 2082350.47317379 2342957.86230351 3107430.51567564 1092527.33848071 974813.201750105 5217573.18649112 5114660.26588038 6446868.68442364 4350801.30889267 1732739.21183539 2146290.26668421 LPC 20:3-SN2 16139242.3703994 5522411.57390731 11103125.5772361 5085453.12804752 49861520.4736502 18319257.3089148 13100301.0695848 9978899.50808459 8239888.63375294 7891550.55030268 78760869.7755782 11093457.082466 5016560.09865284 6408083.6632839 12379115.2059543 9376769.01200671 109677214.238499 64577779.8373055 56698563.4754435 44009480.7411826 47733537.6107837 26175183.1686933 LPC 22:4-SN2 2122735.51904433 1541064.70687877 1704800.73126103 796178.764285233 8521058.60156531 994417.663641107 1995765.86750145 1433950.72572917 1266250.17857644 1312294.52209932 4498397.67699648 605897.42763433 653266.867979104 1524741.8725904601 859482.504374004 600904.489048901 4795024.6335276 3012083.66232992 2351702.33288056 2241868.0653967 3579376.07557098 2824612.84310427 LPC 22:5-SN1 7260331.82328235 4581121.0367499 3743953.53474298 4691669.23735772 23713401.1052079 6307153.35097121 6362481.74755346 5122626.4991796 2774085.44799185 3367731.58105882 18379761.5067454 4956518.5415877 2447725.00519215 11731364.8116056 4116105.02090383 2957779.70772519 30719896.7058436 13252000.7741394 9985839.09403334 10995137.3258208 18366637.7276369 14203258.2457871 LPC 22:6-SN1 322655377.091657 264494445.779976 216046221.830555 198668547.883603 934800421.715395 317572014.443974 366196985.837911 306796844.255812 180793094.891015 196230588.184914 511244158.152896 213322504.218374 183532150.649185 286847254.658737 178228854.172188 143448689.737228 860676230.23612 553906253.167206 394997903.650312 363770771.39331 564205207.510294 309158798.306877 LPC O-16:0 1493737.12051407 628213.803220178 604223.211339878 781167.881494147 698348.711310008 649308.393921765 863707.280583537 767538.174412584 1008246.8161829 402516.279326845 751604.074996754 779988.48077972594 625316.888723842 302579.223722092 629176.541203432 513176.734979268 1100580.64519106 973207.571663281 1089663.52679534 781519.966710947 1767738.90150248 1495057.01349537 LPE 18:2 454032777.117904 201432832.310593 238780371.692502 212677414.504555 1482070880.4831 283699494.55458 311152206.080759 321447826.550374 194023378.487257 201678773.081795 649238273.634322 220856281.288852 133581476.66921 530731035.024237 270748952.837779 210608448.783408 1334617879.94557 662076307.459892 483264692.335482 507918799.194571 1303988095.83033 633509020.876546 LPE 20:3 1709358.99265743 416422.883821605 978927.953905911 363896.767670405 2014796.33983338 876150.986943253 919631.170543127 938919.923959944 742899.800502994 555156.513165417 4073209.42660853 626235.537509691 383074.379883665 471563.408586361 1041503.76938379 1093113.85413736 5068830.59622527 3280191.28088291 3632332.77157513 2806545.4724899 3689942.87832309 2445386.65629198 LPE 20:4 215110502.920568 117879674.904215 134239408.789378 138219712.574139 1435127125.10909 223397132.424392 152454830.856493 248938393.248111 108833542.310282 101651520.297625 549787942.773418 158166395.697153 110223943.010708 189239915.361752 129177809.971277 108337191.496655 986623678.999437 605414558.88135 417282524.061088 489147396.043794 555690455.907504 267226221.097957 LPE 22:5 2297566.18896472 605634.741924058 860241.974841703 1216161.26830867 1936509.41767761 934055.338689521 1244759.99693644 1704778.59401632 948822.683404084 716130.821047189 2893403.29286341 1264927.55488868 610474.799080859 1778888.63843742 1236662.48392681 1044653.65449044 3757687.1973221 2021314.16824031 2464824.94964251 1967484.80521869 4225365.85366846 3359639.95755667 LPE 22:6 432823526.673861 332472453.317377 273892712.186746 274665136.696565 1047789093.43225 383815525.073283 443452913.818345 433511528.346468 241463893.463272 246325882.625162 628280001.703277 297839034.631822 244272557.639333 364512607.143048 228660975.983428 188245679.715827 985494597.347565 664067637.498952 521384403.3647 462736769.042508 683467723.948301 426121015.368044 PC 15:0/15:0 37903157.7329589 19379575.0769713 25663660.0749614 18198726.717444 41649099.0073839 25795630.2648274 48740981.3467835 47900380.1313552 30910385.3424013 29509753.1901868 80912164.334789 24716330.2852965 26614942.9692816 21207316.736586 46518435.4863931 35556806.1309889 75090823.9858547 60765929.0507967 66322902.7484869 63770206.6424887 52922759.9956099 50282190.9578073 PC 15:0/16:0 21670358.9110338 16076651.9653066 13528942.9723129 9995378.49175891 22583983.9380201 22348802.6190666 35011160.6683259 37228208.7835154 20002838.1901183 18708054.2815054 44319440.3103793 11065573.6623713 20334115.02664 14277872.4443634 24316605.6978913 19456359.8899136 46683619.5469661 48000950.9027579 38910973.0119193 50210832.5886219 34263687.8866953 17837013.8774266 PC 16:0/16:0 1089931205.39585 823372566.235721 648549711.701562 461971047.549619 848367747.243201 986588370.361348 1528917186.24962 1487293891.73313 898741975.010444 933829545.801974 1590227430.34277 620914491.750116 817597599.5078 638182892.90884 1009568080.61286 722154587.416848 1725213851.66423 1648932610.75708 1435922580.6471 1622308840.80917 1040553866.07964 899115116.035925 PC 16:0/16:1 663306811.85944 262513604.75518 408843761.14546 323854177.521741 400683852.37831 397099331.594854 769706665.486987 835451709.349649 555441783.735832 534163641.635666 1928671879.81452 496738118.108082 437305959.243271 479805241.866206 1211630115.9497 870568370.625922 1419256498.06202 1218923062.53844 2168134184.40999 1473662306.84974 1294342946.88754 2190669428.97377 PC 16:0/17:0 6490454.04119231 1220839.72446729 2068760.7065551 3769058.73884991 7236457.85378759 6015547.73605193 6860891.17478301 9088250.32897096 2580394.14568846 2357263.08714632 12570385.8610673 1492532.43501407 6444490.25989797 1596804.77031742 5234547.36081862 4246590.63413119 11661081.5380859 11925294.2524973 11018220.0049263 12523205.5652513 8582155.36489552 1113368.60015351 PC 16:0/17:1 145430991.142252 54463419.67077 100482164.58666 59876136.5364125 53827419.7127899 67817424.5860758 173210829.268335 174269279.729243 138038809.682387 103808912.741246 368177404.008321 47419382.3664226 85956194.4453797 66365887.6233219 169118147.579688 124984745.013384 226365072.998592 206010467.796526 317607001.2424 248976233.688714 267008167.346544 252403048.479535 PC 16:0/17:2 468052943.980504 275603595.832943 316197721.433558 280095163.435124 207269160.345624 273913856.146774 628552646.216325 708044589.283677 449011042.1682 320226122.191924 554571411.431967 199944788.433044 387869324.16538 271024495.086581 374681777.786947 281494865.669726 477381507.171058 523603330.332627 610128347.890829 588080162.230859 592973221.847108 390872852.999147 PC 16:0/18:5 2663.7596419457154 132494.68135555 200340.376359631 265176.379278917 122191.54808278 247898.742291299 460481.995780466 438177.541550654 168800.379292228 194704.141777513 941351.012153905 171339.909994128 20044.9439188332 165490.10441963 240051.634643923 92500.7810661448 1094754.46018835 475259.742461481 591911.530911572 854189.72178344 570393.677931358 534974.034091123 PC 16:1/16:1 112210180.499554 38481211.276978 74610298.6403417 80838019.5672892 68964247.9943726 76082305.1937165 151530499.988356 194123974.927466 59865936.5419922 70915093.2295258 270560942.623498 96753960.7695069 66012886.249857 92077140.6413165 199027463.436095 105690694.427027 260954146.565925 234409894.275955 369482206.073176 286308311.536454 214491360.004098 230458743.69377 PC 16:1/16:2 1380322.57121147 35369.8085451431 487993.18896961 1275481.02744797 1271572.47128467 208966.219586016 989662.030711941 2310831.47230621 340125.76033334 286725.994854287 951929.822673647 1687115.54994424 254118.077137169 906776.879416875 928527.97638351 152529.087310548 1729778.00861216 2189490.91043864 3470965.0398786 1979587.00627473 1199004.9596249 1835979.53978217 PC 17:0/17:0 54004170.0139925 49154362.2848857 36073839.4662211 26481089.1319748 55736032.4083343 58814145.64919 69076718.9383155 70062111.9355611 40992970.6295976 50219805.8184643 75946725.0678724 29715273.9332993 44480256.7078011 33082355.5373247 42235381.8589024 41217852.4683476 79802164.4723971 72968263.1355699 73247747.2327859 72361091.5646433 48596318.4325019 37355343.7580092 PC 17:0/17:1 15938384324.7136 6911541783.30812 9910668732.79828 7348976262.08558 4678785652.8089 7234436922.95394 18050322063.2586 16556879863.8949 15063136016.5861 12092772230.26 23366486642.9553 6158053055.70874 9020798830.92182 8372317403.682 12268635722.7607 9279738177.34722 14647413797.972 13249408299.6423 19629539921.9292 14474775471.1822 15465368835.0831 21910283999.6631 PC 17:0/18:1 141785538.77478 67944360.8507583 67121917.2568046 84835603.9221399 48841799.5888491 54922090.6234702 131883778.809899 107930039.762584 82661560.6966176 68237078.4694581 159416376.733105 35437009.5007658 65631945.4630092 67151341.9770588 63132534.61092 47671634.2220891 87085907.8710119 78713849.2127266 106308575.3287 66031040.6619984 97648496.0350652 88211020.7167907 PC 17:0/18:2 654198667.666334 293840743.866161 275646086.500191 287118053.843188 199733555.368928 275108016.232701 548266917.384414 401053732.85607 327029081.42364 293081077.741108 379110414.702341 166090664.264035 257043889.705262 301240258.261546 339626713.412707 228054235.303826 295882614.357046 343261458.835716 323693020.105428 282670124.12435 421677877.435483 245951716.177367 PC 17:0/18:3 257266924.613419 87400369.027586 167602106.87632 113785998.255998 56015598.4319753 137563112.727665 274615357.032976 227524391.975664 197818188.271194 127142825.178263 332192305.169399 73450856.1008081 129145745.991167 128560187.794865 203315353.759198 178591877.912012 237986197.503954 251316912.261952 290647533.490971 300921697.03267 350480040.996938 180559984.122504 PC 17:0/18:4 56179856.3173863 23620186.5003061 32231775.8688298 32836636.4651023 43967212.9110715 48514860.6960891 52980690.7875233 94552764.6476554 32237464.3165688 29967124.9377387 96168660.4999908 28927222.8937824 53588396.9333094 19226200.9339248 39869060.5168458 25194985.4668486 78320333.0860975 106593966.004596 101133515.945705 111051584.7632 46709980.7572843 27826383.4391921 PC 17:1/17:1 81413376041.1263 35297489771.2014 40360350336.5462 38644885635.5187 26815790257.6344 48029793006.6005 68795612033.2336 68046858704.536 61268248348.1536 55065798746.3452 52808613291.6761 43079414641.6434 45278970199.8216 53615740584.6946 67235966605.1364 59817841555.2426 58513602784.5371 59334495811.9798 62043873711.0397 59175780192.8149 71673507285.6235 72148577837.5471 PC 17:1/17:2 2028558431.40563 389192381.573852 641907522.798707 690713023.225774 578935561.529455 758363794.521562 1089733094.94768 1697486261.53423 840290395.4494 760493078.308429 918021496.819888 946989703.466634 597863665.638559 793174991.536251 1046855966.07384 768851509.20941 1153270225.85291 1428997710.11608 1661526330.78772 1229882539.79445 1129153895.5045 1070794511.92267 PC 17:2/17:2 19693545.8740507 7999085.59484736 16571517.0062899 15703932.3719514 24497953.1464079 19074456.387441 21913905.5086302 36294345.6739533 13309270.5913727 11553754.5118919 51880581.6261105 18165669.2813432 15287740.5159774 9587455.13813376 17613151.4429131 11551928.9998935 41222586.4391085 53089514.1189841 58705999.6224021 47408381.8103717 22829082.5444467 25491202.2720576 PC 18:0/18:1 1042648822.08972 695593061.702713 756380225.366959 490567483.819914 420683365.891367 437269050.133468 1292334658.07392 624217596.383543 889905931.240619 948811746.484376 1098878354.55071 330021489.584943 393532013.986806 607179008.059812 595949606.446171 469012665.309528 774807216.086673 679727869.464307 1017072757.0822 575520358.613725 707816459.709895 1343340919.37754 PC 18:0/19:1 18986083.1195644 17931523.0942518 14874777.341129 13573064.8464117 11462444.7877081 7737515.02279628 19305652.5902945 13009206.1436173 13830837.0972011 14355039.2762263 20085425.2587142 3964051.42252116 10039202.2211196 10300479.4712082 10440513.8068623 8897013.39837557 16493427.5421493 9840794.10817365 20509362.9323584 13238795.5759172 13563347.1444977 13434555.0615363 PC 18:0/19:2 205905151.604584 190477040.521601 108749187.392667 140992656.063787 89392202.4777363 95677605.0457351 185064113.976724 148989809.884354 101762270.396754 120338138.628025 108357914.285623 52529036.0233436 77610497.0876621 109433537.110024 78764427.8435136 56436337.2467511 114034877.101349 116159481.604932 113243073.422835 103214033.129185 101002154.146167 65268433.26982 PC 18:0/20:5 5995256625.59763 3176919225.92439 3961086586.52982 3691618900.54401 4241732701.5262 5933016198.77786 6046146590.41749 7548509205.90318 4538549978.12873 4262913547.12494 9619587675.44332 3627860764.97733 5107241036.23457 2693728779.18884 5015956692.24414 4076622437.33759 9196748321.65665 10056681285.0767 9557457137.9056 10780249125.6783 4781493252.63869 4979794041.8815 PC 18:1/18:1 32791368219.6694 18953004984.9434 19328793510.5855 13522010461.6231 9684290673.72861 16683169124.2672 41746474657.092 17160043944.7768 24857510725.0676 29752564286.3619 15361330387.8266 9919603431.51398 10486744816.7047 18975652689.53 22081429824.4361 14738469535.9372 21560963306.781 19406048850.3414 20104631197.7022 16924895891.7451 23024034094.1509 30047772760.5781 PC 18:1/18:2 17119638713.6858 4467057966.05891 6628083023.58594 7589990710.62768 4440764955.84369 8042399287.50452 12515209342.2598 10201839071.8811 8258150482.29007 7220849623.30875 13103062590.5482 4298589985.75102 5651959809.26673 7497132980.93387 13133448953.8844 9909811333.46914 11415406796.5372 11603395890.3185 11345326063.7904 12289018436.0816 14798771720.0155 10903478453.2427 PC 18:1/19:2 82052146.2911346 39770740.3516754 43798897.3982058 38607055.5174209 28212790.1889422 37745582.4504951 68093279.0317681 47417200.4060742 43507865.8897676 45298921.7613141 80562908.9230492 14094091.0500048 27601366.6161089 37023211.6547764 60569804.9048502 42072000.967243 65537973.7042768 63482861.4105332 46908649.0174581 68449788.2450488 71540176.1619906 47181562.153673 PC 18:1/20:5 1385041952.21203 546052592.10306 837984860.659555 643210561.649963 898645567.561548 1515398227.42291 1664151924.25057 1841665772.7881 956770005.796613 829751229.592929 1853289245.58568 520843188.695787 1290651826.0166 432392314.383657 1107343726.41378 825816498.792361 2619291789.47303 2909236474.48709 2575569993.63737 2887400628.98424 1070080686.95065 843162748.537884 PC 18:2/18:2 36664420852.0052 19681367660.1435 21375420553.3329 22512684860.2522 28249911650.7703 35832370520.8265 34635089933.0809 44685831414.5926 26862160377.8735 27198919941.6744 35294612422.1064 28918333078.4423 30913092216.6467 18669032518.2231 30459514223.2352 23864566929.7082 40872581272.971 47118726796.9967 44171460527.2593 46015809128.9394 28909812236.3765 29006775986.3486 PC 18:2/18:3 352698734.429279 315625247.862556 429514086.99266 215163122.478561 151294173.553774 353149384.534627 1179383437.84242 468254386.026345 469906297.749743 576421595.296776 705111175.716029 177688645.995276 260944500.655615 263727495.090653 434372033.494036 271647764.559406 731399184.567132 582185889.259872 627903889.58848 671476838.456565 339185552.252964 604874074.029274 PC 18:2/19:2 382842521.213918 154912269.936719 151770531.37392 188453577.728795 242851182.939666 227746486.060518 261000669.18123 377938116.548916 170650876.364 154321005.028432 332370060.48416 127402611.420015 206988835.237483 120778120.029078 261989725.034426 160478217.385258 329417052.888605 389171589.316615 323105974.91139 383711865.260005 309932365.863653 139850788.64164 PC 18:2/20:5 156619872.879131 114944354.233235 163759053.418767 107909887.831493 124789859.964892 190235243.844241 298771143.742459 301647466.880272 136208537.091769 127897143.007008 460187051.981951 162645602.338987 149470707.112627 122564681.388256 270771113.069261 200666459.342045 464658071.820038 444900820.624241 579510192.20018 497240190.169533 277964635.418871 269811450.51868 PC 18:3/18:3 21444885.349309 13053903.6851674 18951092.888236 17426824.2158887 19830059.4426082 20724764.8697437 36957493.7005353 33962203.2345227 12740326.115077 15110095.303271 49231027.5236 18765351.5037528 15183760.6554539 14560156.0319127 17525941.8529391 11890837.0443092 37156366.0045198 42054677.4275345 50301996.458707 35287879.0826142 17085706.6923047 21077294.8111753 PC 19:0/19:1 30355273.1261526 47065409.2662515 37483608.8669929 18951416.281154 25615862.9070422 33037648.7939995 80138179.8177004 38024105.1952161 44296319.7068646 39152843.003773 49034847.9088089 12611862.0316313 27384527.9279078 20627994.4818876 26821005.1860612 24047570.1468282 53863875.8654153 39283967.5442989 55545906.8848803 41266432.9803582 37243461.7292733 56935801.48653 PC 19:0/20:4 89617490.232447 69083655.4038319 52871537.0551002 67115855.3755721 74781148.6094051 82243929.633111 58507857.3554939 89249945.4795671 45674393.0249715 44475028.4054198 73099554.6717904 39925062.9239494 59236153.3191461 29041553.5531616 34169792.998615 22386819.8134078 73287537.7803279 89797820.9144785 81365016.2873363 76280017.3182892 37238861.5851776 26310711.730213 PC 19:0/20:5 28032219.8719455 16625778.4755379 14194500.4956551 15244667.4903548 13463242.9791398 15647915.3058196 23656273.8745756 25293916.9613496 11958621.9921787 16949251.0198823 31688137.3596232 8095869.50584952 14079589.8578136 10607812.1037794 17001665.0827121 12075558.2440583 23296857.7873129 30268989.6733443 25224644.7209566 29102800.30079 19090187.5209416 13401306.2970091 PC 19:1/19:1 125763199.124326 111394872.993196 209539750.672586 63667293.712375 42516239.8520393 186558717.269419 269083199.815701 119605906.721223 251494332.816878 180817876.295443 256265239.138492 30643872.6145841 105481469.316008 45049564.0511203 128764943.16842 109885117.501713 333210958.289383 299450433.099442 289808717.898954 225400054.551927 147680132.116228 157767908.234692 PC 19:1/19:2 781009727.332421 363165670.685092 691670548.309979 286548037.934189 366121980.863319 737573953.862554 1039663668.56565 577894517.185322 703525912.398796 781996663.16279 1366971145.41308 426799659.751478 374537450.924318 221917834.564198 647854088.885703 470201318.839371 1595594837.9343 1405783650.21194 1540593093.76024 1108890688.95114 766825742.597849 1004463549.00927 PC 19:1/20:5 126875557.311598 140407994.453288 99836944.6702768 101723116.126346 97304130.4414739 106054081.392175 158768878.184188 186609444.816566 89948423.3992629 81512745.6113463 144380350.796679 55206828.7435134 111544917.553994 74323915.0753892 67343072.5628241 63614061.421782 115264727.656422 135700560.261853 120895836.988048 123845853.75861 83497009.4092536 57608579.2389252 PC 19:2/18:3 70004605.3344668 37905242.9019471 69271830.0472575 37775570.0117015 48739072.0497118 69925393.4708209 94633570.6615145 100843733.194451 72321941.1744688 51127673.933952004 217886305.332758 32600582.5928021 59354843.7077514 24340370.4687369 51965297.0209735 39625023.9466338 155106930.39998 193722433.710527 208965241.856911 192651405.062921 67821483.824369 53769001.2842568 PC 19:2/18:4 54751957.4660762 46876060.9760793 39914324.5720475 42767250.1791734 29830728.2768644 48810269.0590963 83287719.2339531 93623761.5385428 41709930.7574283 43364492.3390893 81274863.3960399 31474707.5418342 58940150.374952704 30592369.310833 37226177.3737239 25705492.2702592 66121277.3784606 73261771.4299873 88186926.4850017 80095098.1813297 50343333.493598 34539881.996899 PC 19:2/19:2 16924021455.6296 14404082384.2006 13470132248.9982 11131490657.4166 13649673375.9968 14955787898.8665 22129995624.3044 21289669078.2085 16157041069.3161 16926615982.5767 13549568467.6925 10540711309.7025 14814242450.3346 7793080746.53342 11599581911.8532 7615771609.71535 19880996473.7213 20669690643.1096 17254653156.5675 18912352317.0027 10967934681.1494 13479573649.665 PC 20:0/22:6 17772496.2167032 25300246.7776404 37051701.6185074 7783258.08213832 7101690.32692999 31723325.6951003 56306606.423023 24027762.6005781 45685221.5682264 27124862.0281575 46392346.5496342 5880332.97878702 19774326.4043483 4697260.11294364 13583788.9575574 11100176.5230699 44940938.8807404 42338030.5858108 48546881.3191099 28773427.1698366 13661572.3306777 17909360.9544424 PC 20:1/20:1 3473441.85391187 4938789.37882997 6380674.21975582 2141104.94769726 2350018.03508477 5928730.39391958 6962568.6202961 6082247.97422171 5983468.48610162 3313579.25492542 10594408.3103777 1774703.53570069 4222166.14343776 1563207.63818878 3321592.56162151 2743679.17396559 8053276.96953396 8848084.03739384 9719992.88062455 6868984.6604782 5023423.42459564 3751075.67124198 PC 20:1/22:6 109085959.743506 166768642.244876 169176236.934859 49465191.3814243 48560364.9214062 112441171.447069 260066120.111816 119467166.573416 157963166.038117 161128516.623672 141881064.180382 31586915.6724278 82306086.5322161 51727777.0572771 76711960.7212449 65425087.7347564 155309767.459727 146433273.039563 145875914.304233 141550855.741412 87650048.6687232 99230861.5969792 PC 20:2/20:2 52422475.1626254 46641075.6862439 45655179.4105041 29081172.7770679 36843124.83862 24526406.9737312 72413690.6727729 43034726.4681268 40170590.3721788 61484143.1915504 50546363.838913 14566354.7733139 29238031.2103299 20317751.4574784 24893349.6744604 17849528.1119324 34312438.7384144 40549443.6961389 36677964.1845277 32213692.2108904 20992071.0414029 41823779.9396808 PC 20:2/20:3 638415955.461158 538900186.204034 505939227.585729 351626201.275147 267556012.708816 469487905.114727 933602365.331653 559298195.960499 526770125.230987 600147001.069936 616623874.947464 257912068.597869 371333995.419182 313334567.692288 388596922.392799 286772903.449542 742273666.032738 699019095.422456 762302097.664279 682927288.411711 367497875.080594 597963040.99116 PC 20:2/22:6 134565186.704919 149070195.969272 193640964.326956 28177317.4321277 30149264.3854135 111366032.320265 228606507.444354 48000770.203363 161269884.365308 201938447.246215 94298829.9132707 20458709.581674 51097742.0091469 52781706.7696676 101010964.459272 101667151.964576 101596664.85456 116574373.226083 81572055.0151466 92264368.7042647 122571354.711327 113812223.927862 PC 20:3/20:3 8772810135.20613 13601689082.8521 8417915361.12809 4149591168.14427 3597722340.81095 6457626696.87046 20609384677.9138 7624944624.35768 9761346700.13343 13663953693.0117 5036801979.23015 3350473420.48228 5454306422.16653 5482663860.21224 4301253231.33074 2863239445.86743 5846599742.8333 5512424889.98945 4902381721.75526 4000591495.71301 4022244256.81633 7390254787.6438 PC 20:3/22:6 27402361.001781 11063343.7817612 17186915.0584897 2609625.57160791 4494688.558204 22387800.9137624 34481325.617739 10060378.6382912 22318801.7691718 13486126.5650771 48076824.4522517 3034193.55878707 9996131.19659426 4741646.59801737 26018315.6650637 17533416.7845438 60173274.2211381 53116315.8404471 57419971.7450837 50091761.7837555 23303944.5899852 22069215.0709609 PC 20:4/20:4 1269748868.73109 685988526.004768 676987495.859715 414308024.420989 423171533.721805 958066303.23902 1508490067.10599 1110531415.58639 778199062.058798 590910427.019286 1092561340.10862 337975876.369393 750788600.840147 367301008.532805 920356393.073883 665722830.165993 1243987140.42802 1467514663.05545 1279547808.12306 1214492782.00432 702140298.894505 540071793.037334 PC 20:4/22:6 59648797.5751874 61262413.1413452 62217256.7369078 25741589.454058 45349464.5162395 77508273.0857519 122106587.384047 91244596.9509698 70776020.3779868 56089081.1244362 173843418.427966 34950013.8793183 66557140.7790057 26097386.4983811 60619504.0381253 42664377.0811348 193777805.659043 219199513.85977 257793232.817998 157262361.308796 43805868.8400499 45443562.1644314 PC 21:1/21:1 2209580.42920422 1982633.96368776 2564363.17602545 1588555.04770178 1662455.59288954 2267318.06262841 4850808.25446053 2599682.25675207 2578317.50490427 1526245.62167133 2428648.07851001 1536398.29400384 2226152.84082608 1193717.80262776 3126716.6609433 2088871.28810454 3305175.55697905 2719649.58323001 2779119.93757163 2931913.75086974 2716113.52588074 2588833.97274607 PC 21:2/20:4 121576257.651031 241839301.00334 138597448.870021 114515008.827027 82528518.2485244 121472214.045429 232591953.113397 171848483.326141 133368222.111162 124410729.287449 64195714.7609743 45269320.6979043 105780699.280998 76090997.5130143 57858320.317351 37025308.9230884 96212763.3821934 81464573.0852828 57786547.7989168 75319223.9377196 59652119.0612209 54832945.8696762 PC 22:5/22:5 10865806.6368785 9028657.1875257 6416797.78841631 3024514.1638484 5172768.63482621 5365141.27633945 14709172.3066899 4881426.04779167 9980663.32408738 10374136.5167958 10520404.8440044 762802.758101741 4148166.00287103 2661191.66644248 3432367.23636394 1916478.60278752 5044740.31970963 6855163.57676517 6723581.95509587 1469264.28023228 2606542.26354847 1333249.77404946 PC 22:5/22:6 2755356.75679792 1917480.65397394 1131896.59927156 895793.644615073 552601.255998183 2523390.97922178 3707167.06220468 1270339.18815231 1057006.12899828 1286089.40139595 4646404.6192566 740196.932685532 1270480.6099013 622945.585691378 1017982.86844954 350463.663919621 3718863.1151792 3683498.66146249 3186107.84099574 2274993.64098324 453057.455758046 1206688.95315788 PC 22:6/22:6 11015012.6446824 14217231.9472057 10104319.2615172 5246345.58719002 3869232.12384789 11742768.6969239 22938805.0589914 9207132.90377319 12159830.4030485 10392807.2802808 26296793.4124477 5306819.57999268 8738371.5503224 5121603.63500977 7864565.66015456 4874858.76867682 19100171.761834 20281629.6165651 25601329.794713 11953635.5460326 4521355.52101544 6244871.18565612 PC O-18:1 50415438.9405456 30870707.629199 3282464.62984413 27597984.7880868 103421078.644645 32842150.3629393 47685322.6017177 52299671.4846046 39261756.4976019 28154939.2656527 185859441.848775 23233732.350448 21742830.3855751 39597878.3378891 26039654.761958 20918483.9918441 157610846.992862 87468468.6432135 93309680.5384249 68280661.6114251 149397392.799386 99849484.6041848 PC O-20:1 678004.828038753 425918.492010811 380240.922645398 306700.166610362 1034830.51008563 347015.247074344 497172.767852077 357332.305465109 369813.796980319 275982.12486084 1278656.23541228 121895.163925245 259290.373899416 288496.383632585 218139.450856157 235282.483460782 1280294.12644556 898449.879711463 1056966.324945 615847.032229079 830244.447980749 556912.307764426 PC O-20:4 156315693.734126 103739926.642253 110806647.634707 105293595.73575 1443981081.91502 193312613.167532 128076317.987239 203556285.383926 85064046.6406175 83657389.6086937 495325008.826711 126837082.420837 91592921.3414161 155967877.80865 103385637.640107 82928057.1227082 956225748.278399 581672423.864452 358524275.597515 443503630.481152 474855967.161013 216529066.58224 PC O-24:6 245872.949011511 144829.902871134 203560.30382207 134367.237043509 1156945.44198813 171783.456367214 266051.80631445 151251.514536623 165158.164634345 132033.496644468 907449.334276879 112379.414524084 147467.310048332 69401.1675441855 193149.921379911 171934.777238172 1188310.57239938 677607.180943173 600709.801975662 530490.040083508 532974.450667296 481115.650518067 PC O-32:0 94750705.5681309 18329457.9555695 18581397.2819409 17471251.2348494 21705943.1733801 24325970.6525451 37336639.9192238 35270869.3936855 26761721.6493583 19465045.5922522 37993427.6656379 24684078.0277138 19534917.3918163 24569748.6048014 41307267.9449641 40903939.6685633 39079857.5671541 32723902.1761233 32828797.39268 31870216.7385649 58194907.5272366 36871478.7296967 PC O-34:1 102431370.473739 46004614.7605339 46610383.4020154 28424335.3905324 45054709.3044544 43206081.689452 85492036.674195 63006704.5786707 69229124.5164749 49661677.6221943 80460110.5971005 40641755.5413006 37947692.7391143 29943983.1984172 60228485.7807506 61654380.7404156 75381781.5721685 67134726.6469345 68152408.251188 63979129.3303318 71419078.9609333 56895490.0850727 PC O-34:2 88005978.7122812 67231173.9625435 34927878.0436811 18892807.6473117 28728599.498517 33601579.4546126 92940775.6958384 42836013.1964664 43882748.2449001 35133358.8051665 28163161.2868509 24808313.6648458 41025107.2589772 15808369.8825288 43504841.13786 41390824.2547786 30779650.923909 31470953.2193822 29945882.6751145 27896096.9256498 47901762.3283166 31691986.7248236 PC O-36:2 14035705.9240745 46257333.411894 18960201.7102588 8532182.46376185 22244169.1664927 24459214.6036275 42120275.9060473 24059532.3379561 9897106.88032391 18616566.674851 8317243.31069882 16223360.9836215 30883658.6510728 3251784.64627623 6278667.46259625 5092082.72803456 11174368.3545028 12686714.6679091 12371905.2461543 9728306.31435432 6732960.33432002 4553874.96079823 PC O-36:3 37306704.9644252 8963037.07506787 9044142.66434967 4337014.40940928 5519863.05407533 6840844.11662577 20026590.960272 8975487.81246611 12637398.1358425 10027578.8638475 10134634.3931543 5196804.75964867 5174273.5221679 5847797.44343368 18152985.1332159 16733534.0604549 9533288.26641639 9970261.42108748 9880204.49801748 8825056.02305679 21925448.6850742 10904957.5613139 PC O-38:4_2 18923860.8993349 14953948.6092555 11556985.3567732 13960838.3812528 19361146.7396221 15724297.0044331 17983601.7118195 23353305.7498961 13037860.7515595 8552244.38420559 15971314.1477006 12505065.4962099 20785302.1926987 6870794.49112444 9493022.47143781 8996120.8470461 13401650.0307239 13584654.3815079 15986967.5135306 12738908.7231373 10456262.4914384 7682073.21911048 PC O-38:4_1 15421701.4199236 11918937.2324751 19635990.9992419 8049684.00355869 11666889.1304729 11620133.6563707 28680674.9662864 18341703.071192 20708596.1074682 13563096.1019184 8633829.68497715 5348217.26755631 12658165.8079226 5153520.84123146 13177359.0568298 9795767.77035183 13241044.9009549 9095058.26672504 12207167.4381363 14711683.2783116 14824317.9064594 13173201.8112374 PC O-38:5 126972238.710429 65946639.3501136 72630963.4078223 57061759.795943 68855434.0293727 58826922.7195252 103840728.437767 100127214.246528 88626263.8937182 61180883.1376552 90953185.2145102 48493820.4508717 68126520.7622693 35881303.2038772 78061638.7282641 61472550.5602012 86738622.160245 88454687.5759035 84384285.2612401 91380544.8037397 76783116.5800471 65214836.2320172 PC O-38:6 56878823.6361301 60035363.7484264 34962039.1409593 28028464.7509224 46594240.4176306 32671145.820939202 94676468.1262142 53270116.0445828 56241605.1292212 41678300.3998506 14851857.8353316 20692620.5680388 36858777.102718 19618371.8763598 35661077.0336939 28752922.8430072 34123855.9417574 44625254.5473134 31981488.6295538 58229984.2160654 36086810.7535141 35364196.8692938 PC O-40:4 5807879.49662667 7527500.57964355 5147051.6629909 6917504.15805376 10708951.2970387 7268697.55496375 8932080.9920115 13399096.83203 4172812.99427399 3569551.09065663 5901283.74641595 3759773.35254624 10231061.7268519 3241373.15899032 3132221.12924147 2042617.10496858 5855694.50125373 5916746.79910624 5552506.84995972 4514858.01802063 3935918.43215419 2966779.74206934 PC O-40:5 12151867.7485273 7344965.00039054 7851604.51346477 4865269.00469087 5293028.3437282 5105878.89370748 11720902.6961457 8919717.06502604 8442614.62182643 6485571.33038415 5647190.60622316 2202215.71011071 6052907.96567005 3653543.78887938 5996953.0918275 4695807.37496727 6455401.71617468 8107351.51707391 6215583.85649228 5545082.26455933 7123856.15744943 5700661.10233203 PC O-40:7 55455430.2202963 34586785.7220485 33662918.3971057 23677460.8025947 22552687.962051 22747793.3529624 57316481.1302861 44822068.9693501 51814783.5423689 33038084.2996475 24272733.7153316 17412166.0993711 26549487.9256507 19847237.8602139 41311325.1357585 28372438.914082 29165474.7118353 27719229.5763747 25079919.254931 31399042.24852 39456748.938778 38491275.6320304 PE 17:0/17:1 70396744.8905547 52324793.3354702 84930639.0334042 59597300.0560571 87195930.0290777 55897334.9478167 132017776.061417 153208109.701945 131736806.268676 91929673.6816764 132022413.389522 53605840.2297567 73337623.6008835 85947640.6157283 158796461.391622 155501963.558764 122307986.047059 93774067.1557258 131078776.425426 134797740.35356 262862536.549874 263760684.020104 PE 17:0/18:2 49290660.2779326 21876171.3939537 28810783.0373177 32617545.7129534 21781084.3559266 17454574.8763843 43165242.6054347 42273071.6648354 33362974.4935017 24470209.5537437 24219895.0310693 17446357.6518626 23932878.6005173 32204369.3723309 40156207.7193713 32518122.4773892 20136795.597535 14948010.8928392 15014420.7124543 20084122.3909665 59553641.2609346 39216468.0494063 PE 17:1/17:1 2611313263.15682 727831722.982148 1359810284.69167 1060173772.94932 665369507.086567 1305597838.27948 2558255870.11691 1859193977.49027 2029284031.60743 1427120742.65814 1060419205.67893 919327210.119468 1399677378.01529 1416271849.96753 2840779649.97175 1992203845.10362 1404672222.63447 1561354925.15031 1530238586.37257 2341293924.3162 3186382092.29158 3377533681.55974 PE 18:0/20:5 2634835631.84652 1238937750.39687 1922267751.6012 1397080544.98036 2032234732.5747 1864071143.96333 3212499389.27003 2907250503.51507 2014176410.03284 1986910270.98834 3329006826.04538 1582154584.74201 1654836128.41812 1151986998.93118 2576071032.99878 2094839045.406 3435455831.00673 3433906585.37448 3195495394.67686 3926177405.78498 2609910369.4794 2666165811.68425 PE 18:1/18:1 1692577564.21844 558188027.11845 655622902.941406 1111663182.41816 545518095.806989 774154047.17407 1220995540.59011 1027476752.3114 880506198.301312 823686663.168317 620874684.168025 844279319.035072 624552186.640135 1366970192.82207 1094348017.32696 865815967.13081 740802566.258357 606709669.86886406 693649828.314252 609067155.251959 1508139775.45419 1653927065.03949 PE 18:1/18:2 1342745071.22868 237697450.413707 417432026.924384 739979232.429399 506864140.134043 496082360.046396 609597203.859778 837672952.322706 538559573.143616 364535198.270488 873661071.414339 410334035.30022 436818991.07413 655059600.431732 1426201496.64386 1129670062.65474 792752824.060398 706769254.531464 711467456.441008 838031783.816878 1824324172.42174 871152685.393637 PE 18:1/20:5 7504462592.36126 6430647478.76484 5761861387.22209 5265652631.28256 4959337809.78649 6446871433.03391 10171656782.2441 10897231227.5703 7647625139.75173 7493822385.94759 6613415385.2537 7135041477.35575 7444985749.17859 6485178835.57162 6382514592.30643 5499049171.29555 7219005418.64092 6792412972.25095 7180360553.02978 7487539975.57349 6827351956.16717 9291164884.07871 PE 18:2/18:2 2946648407.28497 1439620732.69061 2119139916.66026 1713141638.56411 1736085547.64933 2158582810.97889 3361442429.91586 3088589084.21318 2556523294.81275 2194593061.25408 2871814872.10288 2067122381.5679 2059267920.24967 1787558396.24665 3157808759.25374 2491072320.04984 3051666038.31631 2864486187.92374 2906159630.81627 3973224881.52671 3117131525.86502 3636350967.65956 PE 18:3/18:3 2311431.88102365 1273873.64836188 3975735.85264423 1823883.3058778 1244485.26196128 1458963.46745504 5310861.96004068 3654667.97140549 2297469.27103538 2462847.58099856 2389015.80990288 1500097.77233626 1379904.87741586 2110411.79212171 2416422.60546112 1746259.0850848 2680266.31320309 2533456.59724159 3726437.71782655 3891259.52861882 2688575.97649469 3240278.54841875 PE 19:0/20:4 34530529.5222262 22507626.3727421 18017945.1575667 24960722.783187 22706119.8021151 28145090.9845201 8405846.14536325 10704067.1721256 7692183.01999194 20522856.107939 7413924.47086495 5944747.05530265 6991751.19516616 19836838.7114822 26385113.6409706 16902018.748491 15876164.4392198 11768434.1278636 10906525.7175839 10931247.6477379 34909132.1873118 22675529.5661536 PE 19:1/19:2 73309422.4828037 40786208.081664 60660849.9499765 34319787.0516371 49946544.8564992 70316346.902406 77458522.4955934 77866685.1158809 73812487.9350533 67343079.2783796 128209296.055817 55694892.674288 51565346.6206518 32182398.5631735 79301353.9363652 69745200.7039016 123069107.223738 71844701.5300317 122021551.265108 105791384.241247 108437126.713654 125099180.784529 PE 19:2/18:3 4339173.2959514 1486543.78609111 4258619.63845395 1400231.53544556 3375453.44962373 3171525.39416306 4374955.43376263 6534391.94124874 3800363.99706219 2825405.15150066 19039440.047366 2608286.43115547 2899803.11297685 1606546.64757121 7661232.4989852 6522548.4295513 13745358.1162363 14755171.9583868 16064313.0130557 18149010.4599594 9018679.50584532 5788008.25261099 PE 19:2/18:4 11219689.3245874 13203296.585274 16055012.2109512 8743504.37377233 8181297.54402866 9409932.40430658 24221411.2585625 25736246.7189697 18021880.808873 13420687.9283593 15515531.1443706 6949364.24434225 14831849.9814563 10020931.216628 9844541.10468515 8741557.50833067 14493454.5017017 13732798.7689826 16084301.7564553 19803377.4772712 14495036.5424749 11477745.1621404 PE 19:2/19:2 7892198001.01577 5123420736.80525 5685134686.75599 5482180351.28201 4750519941.19201 6942788507.36951 9092833686.25579 9402055512.96349 7391647920.79389 6042790737.70275 5670441155.05791 6317084576.08885 6302225081.46919 5099498926.51973 6850111312.96169 5557812894.59172 6195288452.2474 6003568004.86811 5458224904.16551 6166185693.63134 7461173413.3622 7894804081.47128 PE 19:2/20:5 31605834.5050242 18200824.6170304 26227070.3541342 15443578.7851551 14781912.5613864 21804917.5691303 40570188.0089895 40197356.091217 31658560.9942719 18210914.5738764 47755001.0710782 12246691.4750664 21197751.6144934 15060897.7030967 22597481.7070238 19640601.5486561 41376300.9566289 42496576.0969547 47292636.6153469 44796547.3392652 34412889.5696173 27238637.0006755 PE 20:2/20:2 33943340.2522288 16621367.2797183 19660797.4139418 16502103.9693326 24924952.4872235 18764096.7193192 31386688.0686925 25817597.9006985 23551047.4322589 20217515.7621242 26815742.0885727 16695895.5190594 16863957.9590957 21557125.1956716 20701563.4795651 19908936.0531261 17179879.2597121 18249226.7391156 18109055.8236862 15547853.8872065 28263135.144655 32655776.1344376 PE 20:2/20:3 41017422.4185842 23809277.8837126 18557145.8911473 24897906.2239395 58955186.6168456 17582533.0942457 26084959.8465946 26792698.0924296 18361034.9404925 20439436.013193302 17760880.2182277 18729859.3070776 20041708.0042001 21919779.7795721 16997808.8751642 17644148.722002 17564900.7664645 17570466.2393117 17287637.928004902 15032723.6709473 23254718.1817754 34314163.818017 PE 20:3/20:3 3737572452.68549 3157269349.36436 2087294158.34119 2607626000.81519 2003976969.78268 2524714248.48706 4555051216.36459 4130078199.23355 2872242905.2858 2737119901.0164 1698724333.19988 2914248306.12581 2689523660.92946 3175132390.77811 2227886004.31321 1776465580.32457 1979590180.55746 1744827778.04642 1589077392.01696 1567432398.63617 2360821727.47775 3801527171.13765 PE 20:3/20:4 2618199503.87176 1218122074.81893 1144696522.4099 1574859549.10799 1267878160.28079 1708841475.52894 1951534293.38006 2993010180.69606 1471504435.99059 1256090787.6211 1987840928.17311 1703385392.98267 1799239974.84581 1437497659.49124 1678061763.28773 1511627928.78346 2244396305.98387 2218583346.68107 2155216811.79072 2381898852.86438 1729794023.30529 1639905541.06274 PE 20:4/20:4 449412522.491744 102262434.22859 87891655.8390193 127012243.891824 96687516.3642409 146099199.59439 194189036.191935 214642743.799683 122451182.288854 97434027.3184392 120813456.549335 110160794.374152 156179902.944474 125538057.578848 189543272.523291 152974330.903134 228155911.511051 254915981.691887 145350267.22415 228073143.698368 228983348.89243 166112205.132089 PE 20:4/22:6 12153063.7636213 6243577.13785339 6278430.79890406 2743333.26205087 5683876.60077605 6373691.05527728 10248549.6129761 7694800.18255962 4523604.57331735 6439169.2591325 13522715.6296415 2567539.10566545 7115865.0385799 2896900.34438205 8357005.33822293 6563573.43929442 13780908.7340419 16169854.5322661 15669461.080363 13100495.2693301 6826899.95779726 5562095.20931253 PE O-16:1/20:4 268906363.947536 168364311.451757 159214301.207451 155310821.270951 198311098.621457 184247323.286604 301100354.174905 258865777.202509 203091257.44501 167330067.934738 234520512.0455 150826032.156837 166882934.141761 159531317.251754 195412573.759945 151985021.59725 201118606.218249 207359040.757053 190099755.741131 191828963.3638 209486235.908012 196573950.951298 PE O-16:1/22:5 259833299.367654 100963946.852193 99072574.7391735 115721186.273913 116570581.052376 132644247.926778 244814013.659648 182248739.208954 183514175.557081 163484737.878108 200012263.725965 109295433.820875 115889696.980121 142014235.80282 200347281.788061 134350455.11772 220161850.584022 182356261.625498 198174081.254498 188899009.388777 138544764.203046 216358561.900213 PE O-16:1/22:6 102021237.085726 78282600.5167136 65181702.5047382 62612163.0707362 101176008.898158 75252439.5808928 139292788.303329 115131947.954625 80340640.377487 67216406.8263354 89102513.6603417 69915062.4318567 74226247.3144422 63665461.5642644 79847261.8072712 63248511.1819741 87181594.8991461 74563484.2221653 70732132.3352713 72980012.4793435 89115758.8001021 89012212.3527444 PE O-18:1/20:4 92407833.002229 58044653.1240098 57134838.0358957 64665779.6783116 79497247.6895767 66713888.8911372 80582937.2581651 86127356.6819198 40914536.6640378 45033152.0388053 72493719.7074712 52942257.3958162 61753759.2324352 52155973.4132892 52195512.9311181 30676037.2286979 52011202.3560864 55824725.8691249 54781854.6778212 52026004.5969518 56890138.2098701 53180986.7411606 PE O-18:2/22:6 50896988.3028243 32881050.2102024 18128955.7328494 25025273.200803 26577578.3070393 16928039.5265068 34256070.018848 26282523.2328957 22206873.5853717 19698210.2516991 23998140.3144398 14662409.058417 16357801.6134012 17447207.1708049 31508641.6559356 16798594.1674508 22458592.2513958 39817667.5197266 19322650.1229904 18014969.3542782 24293883.2323381 22486847.0516558 PI 16:0/20:4 145212936.743232 70298738.4348585 97162704.7290375 52287535.8828377 72054928.2047987 99437276.987428 111886253.940605 142389548.892292 104752856.119964 113869306.250586 141646952.852214 90231224.0739957 90684239.9732723 109161540.318738 240957318.25089 204110235.786338 103732228.427553 103862753.476966 133952552.499506 124966457.482068 207493973.355955 198500084.065061 PI 18:0/20:4 1685117094.23628 1477313811.42504 1197576412.46102 1873119206.96611 1983225371.53029 2311816863.58461 1685862243.05098 2309337267.06437 1353719206.29352 1313682196.20217 1096538433.35852 1877549353.82309 1714156278.6647 1857651158.68769 1630897697.01948 1742179677.42334 1225408399.85439 1102704758.18518 1023445561.43623 1410215058.35345 1754235863.67353 2173457070.46439 PS 18:0/20:5 5129631.68891324 4353863.07614087 8332298.46592095 2114742.41356468 1368070.9137075 3438533.95474713 4534025.20628097 6652424.94004103 7976741.33462621 6600560.65795865 9505859.25134367 2075601.69418685 2742598.05121444 2799576.34959186 13613403.1156005 10920038.4547136 9329046.76569788 10165586.9064939 11454412.4613613 12383142.4296617 15362616.3459181 13719039.0551165 PS 18:1/20:5 44652427.4151805 44630827.3634869 40694140.6342495 28130313.5702223 15070762.7386057 35458897.0756015 75716826.2428021 76642504.2821401 54850974.4371776 44543690.8723184 38866034.2396967 31987442.751337 42083011.9996568 56089608.4365571 81106575.6794544 62943692.6998942 38647448.7992474 40958734.5238943 52402812.4436249 46907040.566319 74940633.113101 88706119.9330205 PS 18:2/18:2 22763619.9546853 24990439.0665617 35274245.185954504 7768459.1898649 5969748.93490719 27183533.7904024 44263591.1041073 34918648.8820347 43084736.0194557 42139133.0687317 12753321.7271259 13252158.0394322 19334133.406258 29953904.3838117 55306405.85013 41144949.5367404 15103551.0130231 19908345.5719608 19976227.6530887 32281692.6205271 47365160.8064017 57765998.9116593 PS 20:3/20:3 208831806.920754 282659089.624433 192210397.02988 219361974.34334 146787124.628143 213471050.345233 390746649.182522 309255402.950944 236867530.079324 219161477.394094 154796031.181042 182170722.752988 179412174.396307 283121088.504306 247696357.012259 228053771.152722 156189042.484681 136185695.851262 152899939.179025 146555032.512214 268994222.058665 320780350.971594 PS 20:3/20:4 2803174.88221805 2974036.11031492 3494253.82382516 1171929.35476403 818478.285621957 1690017.79423191 5038736.02527642 5624829.46569988 4663580.62986831 3052287.83001431 6857835.89185012 576110.292866138 1582911.91784608 3837302.40319393 11553513.7351965 8589174.41251314 4767666.48179358 5423390.63682049 7320558.64232951 6274691.62200251 11696481.0903111 8832524.84588503 SM 8:0;2O/26:0 27680729.7839539 41812618.6186192 28198087.7649314 8591941.29735635 7759246.23890385 9937134.7313958 82211010.7944914 26546826.2354701 33205078.8916614 53847022.9649468 23144848.3922272 9633982.73477432 11242576.5252765 61791475.0965308 33248894.2435559 24425889.1581912 19458218.6417184 16037581.9061789 12537608.3475489 14253254.7694286 62004989.6570417 112748977.255209 SM 8:0;2O/32:0 1791963.16065822 2825791.15004187 4024109.78939778 1027.0249915804866 881117.387164829 1133420.99458228 11366658.7790533 2721180.04581501 8574737.68067306 6443324.67122919 1075219.58029184 1885247.41966243 941467.952564318 7580143.7998828 3453504.49995845 2823305.89538038 1361340.15142235 786380.558777306 815928.959816875 1157255.63117107 6187488.56739275 27888937.0480502 SM 8:1;2O/24:0 1582733.57228916 856064.519515835 624736.966957726 595284.653574015 677558.504411046 519297.943378802 1609978.35683399 1008920.91930545 658102.154957164 714472.949545561 831594.137059678 861113.1866632 520746.481606555 2543321.31858596 3874859.40618548 2378189.77412355 889098.307199416 697987.973885645 493434.463899803 829825.699014456 3989389.97233703 3022732.43657755 SM 8:1;2O/25:0 12796093.2164322 7516866.66177193 5349173.32258136 5686770.51100306 4794057.29862145 5198068.72571021 10951318.6955697 8020817.22381185 6988736.65943485 7201721.6646291 6986644.67186833 5605930.24655998 4118180.60622841 9078810.2430759 11658442.2728057 9032318.80462485 6644235.50343827 5884576.64400957 4735339.63449772 6493212.8817627 14633687.7419301 10651116.3820673 SM 8:1;2O/26:0 1114415548.55079 1102415183.45719 852996598.413904 485993531.926925 529549650.217039 529482683.297025 1610407098.07686 871619666.472222 1080407062.70164 1027046424.5952 800776204.32305 589901800.842858 432357562.4044 1154930659.60666 1198912548.63144 896850751.638817 706853120.600946 690917994.327858 529451638.595463 629602023.424924 1462635210.95303 1434467363.24181 SM 8:1;2O/26:1 4485606.6508698 2104592.47626978 1740602.22075309 1462816.43526451 1975951.58870672 1675453.19031331 5149305.91293763 3774996.16034637 2239690.62968859 1694851.241016 2419164.46248824 1752401.5813022 1404382.88531955 3372660.85859547 6197163.00984829 4365837.74434008 2899957.98226621 3062930.77618225 2059996.93302405 2882035.42849324 7955721.65201308 5197556.36357507 SM 8:1;2O/28:0 73666654.9737378 72040751.5013146 35418433.6719214 35957331.123108 54378637.0465816 38749515.4898157 154074969.138393 61923895.5188676 41824105.4861837 53388830.2041623 46374410.8209179 40856187.3535932 31136914.1469448 118895543.065441 84196408.4588947 49952035.9303721 40173373.8325597 35421330.159337 25831415.3438747 30190926.9340295 99393749.1012104 141092883.620879 SM 8:1;2O/30:0 43652862.1691463 38358786.8220635 27536647.7820713 22087893.4215535 21808357.8318625 30601989.5922475 84357859.8203422 44403044.7759893 38377951.9818 34192015.9175548 27246937.5496196 26800786.2852421 22777818.5007089 60338616.5978589 47716031.1238144 38741526.0917935 25754746.3343092 21272684.3662353 19520564.0646068 20291840.8432167 60799120.7174822 105538090.938977 SM 8:1;2O/32:0 330756401.607024 225109205.161246 266465823.958471 248263902.829467 198453570.296047 328054770.046157 655970954.794648 745799050.268026 499135923.062236 246147575.342295 279919781.469162 269766856.052406 299334550.302572 486478890.323482 497838763.92051 478889475.180063 334123255.105483 250770075.056808 236110656.711035 286085141.617715 700921029.710168 1147295000.86069 SM 8:1;2O/32:1 39273716.6128708 26615993.2541958 37222851.5452371 14218600.1180121 16628043.5276479 25271950.3555596 57223576.6497756 40128844.9374927 50226780.0754545 39350881.4868587 44449267.36176 18011811.0335754 18037923.0974186 33665193.0005744 79455831.7504607 69316414.2602401 51938116.697043 40609038.1763116 43835257.4722213 46754900.0037112 113421506.522407 171715642.457653 SM 8:1;2O/33:0 86672591.5633554 46019987.0306387 39189449.3053507 67699381.9401243 74027798.7357816 76155613.0258117 71633385.2988749 118955239.925794 39072084.8378558 36105584.8097779 56631087.8372935 75316483.9711806 44136880.4023451 111978750.332426 84686344.9693745 84513492.9650183 57217466.8431743 49483567.2517187 40084785.716839 43316417.7048223 86450964.0907181 103704351.263546 SM 8:1;2O/34:0 131526844.942314 77051370.9506351 76606614.0320164 108334307.009666 101360802.154392 116979878.639354 154025250.445051 211771590.913431 103902590.730853 70556192.6092394 107828649.654876 140536728.696825 86046994.8097411 210045408.406437 153293232.422011 186802063.742984 100012284.164027 88782741.1795171 96970419.1170897 80250970.2732259 188438401.225336 276413104.52739 SM 8:1;2O/34:1 702378749.414341 666701660.886198 638260270.466793 587420390.85304594 571350184.821672 586238232.83141 1125553282.28467 1187272011.81281 885930108.967767 574572098.104876 507559142.234177 470617116.316182 543340959.128427 743387419.411889 824884029.617468 834609131.607383 691338948.94842 510572240.238416 439288753.37391 659339710.388815 1234271344.49801 1420103843.00133 SM 8:1;2O/34:2 81110599.23393 45212607.3493849 40944218.9874582 37770626.262133 40738354.3149158 37882597.6359429 70050700.6469468 67849946.9228833 52451758.8295332 42205373.3531534 49976741.3096663 35961756.8911024 34087114.5256086 46128905.4982932 65111973.5025826 57844411.63489 49554795.5757885 49901315.0895356 40229021.2471173 46893493.5515336 92531871.96295 83734919.2092403 SM 9:1;2O/32:1 28706276.6441748 13635024.0382544 13496185.8171827 22688046.1398875 21484262.999739 19641745.507495 23665192.4920023 32229072.5867845 17952993.082965 11820989.5815237 21243753.6950991 16124012.6764689 15405599.4220332 19569012.0757262 30863623.917004 23591953.7635982 26875683.6320313 21686206.8105252 24921116.4140394 30012976.4019599 44794813.4780465 34122523.434573 DG 32:1 2325229.58799998 1800.9541423069084 448199.492139963 2699015.85428227 49251.9973320068 1702840.78212537 872703.134471719 2182025.5277191 394542.147567916 361404.026355702 5633909.67681904 12234494.2031941 197607.192814152 10540118.0279533 6962648.12726789 5633667.06195338 6608428.36031701 5471228.07035185 7500730.6062773 5939800.76399731 9146055.86939858 14613012.0140889 DG 33:2 1567361.90272808 146779.942871375 281736.245147943 1467689.48974175 3632.6031259913843 1117834.80668078 424809.244945485 1291389.52377513 349579.036548667 295866.756940425 1098495.9653533 4152154.77786135 84280.5465053249 4814132.37933559 1760199.47934303 1350971.97842962 1902040.04130143 1722019.16121991 1852198.50755655 1580938.02363473 3551063.15513843 2081824.60154386 DG 35:2 7391989.81567609 1970438.36272227 2550528.71982016 9376901.31983941 253565.68690698 4156349.89644813 2547565.26800765 5113947.23780216 2068366.21615418 1516138.06129362 2585616.28343558 6805533.9172473 1568107.51170495 11011952.3914601 1953791.08948167 2295356.78951011 3564754.01049864 3454705.50406956 3083627.09388575 2790960.12338877 4173013.13790603 2995841.01340981 DG 35:3 4094416.06294052 34889.4341789651 332012.714475208 3618116.01105622 1692.7470900318203 1709198.39032077 488518.472373668 1586149.96467993 358602.730987585 248690.058983813 1948072.97550092 7600583.3332225 73102.1096966906 11987631.1014838 4223767.09072515 3052535.51110455 3158212.14718557 2433234.20108809 2598527.78743676 2602255.30797147 6969500.62941949 4902170.10030249 DG 36:1 14435329.5490131 5842922.42334857 6442974.33388125 18703396.5486903 2612740.2288136 11362830.5743893 6193356.13740786 10302888.3868305 6490641.63060471 5409137.68982543 12312596.6916119 11696542.7279101 5431677.80777521 25967583.846815 4175816.98996109 7906115.93464304 9159584.91721634 11357854.7402618 8351065.35099881 8957048.96200938 8530996.07440259 10576746.050207 DG 38:2 27418971.138661 3178790.206744 1622898.79315218 27128510.359608 79308.3642661819 9670139.44953191 2358812.77686235 7559174.36025813 1829868.98856997 3004115.36457739 11630501.2722811 10619464.1110573 3956998.56992175 27316479.9131978 4413044.03953825 7694983.03669505 13742669.9332294 9736733.26073883 9712536.44966783 10839164.5600117 10886599.2572718 11613532.8743374 DG 38:3 84494605.8780871 7170114.74950146 5156605.2409639 74702699.8524918 2398782.61300324 32684544.143917 6623890.9586293 20310548.9948865 6627934.02790545 7753261.26335017 22045208.0341166 39253148.5894372 7510959.52059591 100355729.848456 15883111.2859642 20336944.1544804 37793743.0048197 31460905.506398 25910469.6956213 23710920.0118059 36751343.4501325 33030625.4899499 DG 38:4_2 6327833.03049935 11210565.6347919 18713470.7591439 9093059.63845809 186047.808778395 16825488.4493909 11594852.5523221 20728901.319755 17475145.4913878 12791360.9590097 20405611.8215794 9393429.0431487 7248919.42988702 12542789.1964192 6582459.90838781 4672231.40906002 19450252.4164379 24820203.9935091 21626740.2870283 18617419.6544574 10717460.6986327 20473818.3382032 DG 38:4_1 49189597.4634813 2097721.57416764 3463668.94004241 19075750.5590991 560684.881016025 15840771.3371486 3927583.03054143 9617244.99428231 4496705.34055564 4076403.39918518 21670876.031744 17472718.6311023 2541589.91632948 36387205.3841427 8776979.57137685 8432762.80040239 23995652.5427866 26104575.021475 22645665.8040895 21269366.6627827 17082500.7301624 22963946.3043033 DG 40:2 1272789.27783771 316869.952851335 127378.8164551 1425599.40765291 2385.9300140874575 945220.054065234 345823.045566707 191607.085103877 112553.78782624 112584.307881896 1122489.61627944 341486.314592927 228455.976502467 986571.227602907 134143.687858319 286486.49359875 1642962.01466265 1095063.48472845 1417484.26600605 966758.572311426 584668.936399721 751529.981010823 DG 40:3 3727807.71217146 197010.630756014 218678.681883616 4168383.08779245 166.13689492555307 2443121.67728826 456425.545998473 673264.710900771 402759.29275664 296634.07126464 2024691.05282207 1039563.40633137 573794.542087947 3406421.19802856 580360.701806554 1174538.33380381 4300614.68616016 3731335.5709999 3152942.83797099 2536140.39457607 2207442.57973189 2056111.62603904 DG 40:4 12971794.1607215 36273407.7768522 27036824.7766773 17016836.8877325 3224558.24653894 16387154.3588531 21228299.3311204 28871206.0343009 37734913.7914537 18565507.2163329 15388143.1023883 10851975.0614314 12260470.7316339 17650836.9588887 9255959.37915689 9196039.7103739 22770932.6788238 21137824.9379213 15560300.6724319 22879366.7331999 14773295.5384695 20440535.5871673 DG 40:7_2 1898229.41728961 3484.229583544181 23.815805309374216 6698062.98420606 361738.990559866 572340.055490599 1903.9629330200553 841298.766455251 2318.4980794597523 2925.674954878278 1468539.50374336 12003911.4572839 1476.86169248979 13710248.4729652 6835410.68276183 2849375.92565105 3392957.79818097 2095894.58982451 2049598.21547691 2324523.1605191 9193994.05251668 6430682.04793642 DG 40:7_1 7109970.30066056 107383.398399204 325843.024581016 9682053.13821547 4548897.69712502 3202507.63529646 696078.532603783 3998905.77147204 437070.78355526 661764.991665827 1262691.46541691 14076371.501924 368127.350835972 68349896.3732539 7897727.38488451 5276811.14818726 6370368.55406781 3119990.95111925 1809952.20801027 3593364.01168329 8839538.91730516 10003776.5962327 DG 42:7 39991526.5201444 5621449.9787381 4776610.60286921 50184863.4340401 7640068.25113093 13280562.3439948 7950457.49749681 17005381.9060255 7225595.62375247 6295308.71184568 11825038.3677648 21510227.8918067 5800615.05347775 100235750.338294 8894325.79063162 7803747.18195865 19445672.9639991 13325339.0897382 12046954.7356924 12730491.3505901 17306910.9588898 19329161.5464122 DG 42:8 10165161.9197425 115747.759685891 125758.797613787 2821542.57284314 2467736.92434477 1615502.23160459 162870.804525949 999894.276865242 105008.437351499 713590.966644674 1288743.24642457 2063049.9143802 344992.570800712 7455670.65188547 1302564.23445394 1248557.3786761 2153765.26061885 2004591.73804903 2043012.44669681 1714398.73129092 1966366.00293128 3704736.446742 LPE 16:0 1581898.09559529 747114.144344016 493832.303348454 916387.893369799 1431420.20615609 711265.49204441 689526.650879115 1351486.73483944 882310.78781695 300884.215188412 1731055.86064201 762012.662637351 540878.408609128 751661.732927549 661841.082135944 775830.62878168 942269.159480308 1197732.83519316 1154234.33414925 939187.846010453 736886.007386112 1133879.64306314 PC 37:3 33633540.0259794 15493357.9823703 24682523.0164617 14186633.4632081 12604685.2017257 37328211.3925046 41950414.2580357 24825203.877485 21369694.0484002 25089627.4701512 83934547.3801853 17114988.9528468 14321582.873612 4923783.90673753 29625641.1283493 20113233.5906093 69214090.9797203 79657943.6032621 54670512.5979714 65476155.4975141 37287369.56459 23272023.2428714 PC 42:3 2240226.87787585 1343207.42258718 2201358.13249326 328824.309169453 158474.520027595 2004264.18742825 4590889.936141 1213641.71939844 2878363.51034938 1583436.1753369 5007660.78050587 200361.356413429 1079032.37140559 865628.04207854 1578671.74203732 978293.706185882 4736083.16336589 3406185.06114722 4209122.29123046 3705313.96203697 2836481.15995909 2697230.61465079 PC O 36:4 110671843.084305 49372563.9260803 50512230.0784885 41386803.393534 51674809.1325453 45157243.3050575 83669791.5747482 73543681.6358314 75775784.7373942 42812205.2028232 69676450.1685463 40018885.8986403 56583024.2910402 31510147.6421637 68024562.5741712 55489380.471832 61229947.587946 68777814.4869444 74041178.9414553 69802278.060762 71268350.128376 56755588.2567421 PC O 36:5 206816819.714255 106268055.41827 125733403.687239 132811867.648343 217654459.452287 154920998.459281 214613527.509684 323684664.945327 149255325.703053 122600134.453352 197873963.623333 89193398.8757221 162875866.739673 81438531.4309078 164435030.708803 102576188.996664 233602597.464822 313040846.219799 205440745.886251 302818930.096851 192892441.267125 126673172.003191 PC O 38:6 9062772.77147489 3778947.52693559 2609316.96829621 3014339.51144811 4399826.40972252 3614655.32608273 7076154.21682007 7205940.45667307 6358560.78736727 2499036.74327377 5877295.60023541 1742762.72562911 5033566.88778906 1425405.46061594 5655999.00119682 4484208.63488945 4041353.97946499 7766497.36121867 5369244.38239417 6435096.705043 6242977.69125005 3020848.1787402 PI 36:3 2492832.51912723 901772.463455562 1578715.70234665 1189782.41287382 1511745.54490271 2096654.74020909 1571439.4717253 3457208.35494253 1768565.76772222 995339.003084186 3208998.78452733 1470987.92307317 899333.974516143 2020397.61377712 5444707.1840457 6270743.91567797 2647628.17727334 3434252.14822981 2561590.58475746 3780964.33041207 5208369.07515004 2684237.97700136 19-Norandrostenedione 3066366.39095333 3762463.22318488 4876953.46757736 1660118.75595333 2908573.67687521 1615176.99938928 8566053.77680798 4239299.44671074 2953773.38521211 2930820.22627547 1113392.47477174 1387804.85326162 2748884.31045262 2417576.30404848 2825730.90489128 546914.338191434 3169543.61365855 1164291.04071313 1458707.94686273 1561050.74603384 648040.626522736 2355697.29515145 3-[2-morpholino-5-(trifluoromethyl)phenyl]-4-phenyl-2,3-dihydro-1,3-thiazol-2-imine hydrochloride 183047.758794564 418128.254145999 185830.106172022 731120.24976324 65749.8680375491 179236.259954535 671680.840355747 283149.898530669 300956.641771169 41021539.0802179 404742.374691141 1434972.40068867 790101.135300435 155980.782452538 65694.5775023766 337620.928996968 253506.756512684 117820.050346206 102678.650812784 276691.614440487 2544.103784869645 89747.6843833286 HexCer 18:1;2O/22:0 22663524.0587298 14077876.529591 13256613.1360985 11659495.4937097 15528775.3962563 30848935.0212725 30039714.9234457 23193200.9894182 19935183.2237036 21546402.7291694 12452427.5861722 22332783.0310273 10298190.4379894 30233765.4044705 27455502.3623248 28842807.9792191 17531877.2817649 16531186.9630239 18062738.6548648 16345501.4658576 28473958.563234 67533776.9242985 HexCer 18:1;2O/24:0 7250358.64882045 4103567.21342409 3217729.43843267 5299279.00480174 8365669.85043827 8160642.15437543 8272327.06765017 7381450.64980654 4891842.23692734 5543716.18467799 2189197.15827322 10214673.8736076 3002059.95138219 12413184.3225403 11169438.8998193 12631169.4122528 5300931.53830937 3816521.59452511 4208821.32949071 4756497.34976648 8901893.95751311 19182498.0881758 HexCer 18:1;2O/24:1 38883618.9238056 34053672.3863239 34448899.047729 18041695.0880114 18402566.3416538 26917647.1208343 59337748.6123314 27259251.5774438 46844196.6604693 48658072.5434151 28442889.1255528 25000511.8338194 16486306.8516593 36657545.7425271 34707043.5353994 35508211.9941533 30166055.1557198 25123235.430437 28380750.8578438 29294104.5025907 48057524.2655588 104853797.698304 Ketamine 10574474263.2807 1429321034.21578 2435192258.18596 9132639973.53397 2987419540.41115 5515168219.59961 3822114087.09665 9491158536.40164 1986819567.31522 2067242415.61688 9713072121.97486 9195384534.00798 1910322537.22891 8048675780.50739 1133763789.89586 2321757845.77012 8739733959.74876 9289167151.40067 10055697989.5599 7063601143.00878 6847819873.05966 11917356895.8555 Norketamine 52635580.8220006 22678999.4809609 56634865.8837716 27752149.8861091 15026596.2125517 35357770.9338873 89681972.088654 39547891.9735583 35593566.6809166 29036363.9355137 51987312.4468089 38589609.3561582 57048295.8556677 33668172.2800614 54063720.5699563 38133082.1909074 28225552.3412143 28441392.0298907 40082769.4081865 29043409.1582212 31428868.1141426 28699612.1768123 Palmitoyl ethanolamide 1539419.03131754 1526271.03668998 1752981.79465952 1172475.70180676 3196948.6430922 989043.024579659 1350972.20658864 1755413.22959742 2402060.55778125 1065813.67302416 1499311.69032824 1258567.79017164 1014755.21680888 2101109.50898921 1122473.91161783 1073632.54132534 1564027.43764841 1585171.66850644 1496661.18151121 1606669.36897317 1752920.46784075 1799764.42309481 SPB 18:0;2O 3526558.2491211 1593938.75721013 1424615.71483083 1722179.92764868 877097.91820355 558627.588794608 3089717.50862273 2256987.91880909 3027209.86564376 1258195.5658618 886735.783362281 960167.316110882 727281.632864155 2427038.15943955 3764203.78634325 3066346.04153999 833436.553089348 551904.249061675 708306.426288361 1039620.56759202 4046422.20260287 5180014.27276348 SPB 18:1;2O 14721141.5716358 9034253.66148889 7034018.43914306 8878717.39848067 6284512.9677711 5198615.05697247 13342798.2335174 13805241.8903837 12124361.2969223 7803467.07400928 10149218.4443861 6521928.26305866 6686783.65811037 8147572.43669281 11322012.9270466 10683978.7998872 10044466.6251253 10246312.976323 9639482.97523542 9140386.38526315 16226103.5921748 15503720.2636778 Stearoyl ethanolamide 1298835.51963038 1186136.05722491 1005532.11063582 953970.749138067 2377681.57955017 800667.394839053 1124865.21330942 1062589.30116228 1598437.7692274 794122.305030411 819694.180916884 689890.13561393 873114.845534996 1168483.37011448 685298.328455841 685090.501765866 907443.172114118 1022613.69023833 818564.594209272 965490.893166667 1020556.7593228 977179.056594291 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Neutral_masses Retention_time Cer 17:1;2O/16:0 523.49655 8.315 Cer 17:1;2O/24:1 633.60621 14.101 Cer 18:0;2O/16:0 539.52795 10.673 Cer 18:0;2O/24:1 649.63738 14.557 Cer 18:1;2O/16:0 537.51204 9.636 Cer 18:1;2O/18:0 565.54364 12.886 Cer 18:1;2O/20:0 593.57486 13.816 Cer 18:1;2O/22:0 621.60616 14.395 Cer 18:1;2O/22:1 619.59045 13.809 Cer 18:1;2O/22:2 663.58009 13.214 Cer 18:1;2O/23:0 635.62197 14.656 Cer 18:1;2O/24:0 649.63747 14.896 Cer 18:1;2O/24:1 647.62156 14.37 Cer 18:1;2O/24:2 645.60614 13.891 Cer 18:1;2O/24:3 689.59588 13.373 CL 18:1/18:2/18:2/18:2 1450.98787 15.439 CL 18:2/18:2/18:2/18:2 1448.97222 15.209 DG 16:0/18:1 611.54901 13.714 DG 16:0/18:2 592.50664 13.108 DG 16:0/22:6 640.5068 11.548 DG 16:2/18:2 588.47546 8.426 DG 18:1/18:1 620.53789 13.764 DG 18:1/18:2 618.52216 13.212 DG 18:2/18:2 633.53347 10.887 DG 18:2/18:3 614.49116 8.904 LPC 15:0-SN1 481.31694 1.146 LPC 16:0-SN1 495.33238 1.339 LPC 16:1-SN1 493.31684 1.051 LPC 17:0-SN1 509.34827 1.591 LPC 17:1-SN1 507.3327 1.216 LPC 18:0-SN1 523.36362 1.902 LPC 18:1-SN1 521.34806 1.414 LPC 18:2-SN1 519.33232 1.065 LPC 18:3-SN1 517.31692 0.942 LPC 19:0-SN1 537.37961 2.301 LPC 20:3-SN2 545.3481 1.166 LPC 22:4-SN2 571.36406 1.298 LPC 22:5-SN1 569.34843 1.071 LPC 22:6-SN1 567.33237 0.989 LPC O-16:0 481.3534 1.577 LPE 18:2 477.28547 1.114 LPE 20:3 503.30124 1.223 LPE 20:4 501.28551 1.08 LPE 22:5 527.30141 1.12 LPE 22:6 525.28537 1.029 PC 15:0/15:0 705.53138 6.844 PC 15:0/16:0 719.54598 7.887 PC 16:0/16:0 733.56193 9.106 PC 16:0/16:1 731.54642 7.189 PC 16:0/17:0 747.58042 10.068 PC 16:0/17:1 745.56213 8.193 PC 16:0/17:2 743.54636 6.616 PC 16:0/18:5 751.51533 4.636 PC 16:1/16:1 729.53064 5.732 PC 16:1/16:2 727.51594 4.988 PC 17:0/17:0 761.59354 12.134 PC 17:0/17:1 759.57736 9.437 PC 17:0/18:1 773.59344 10.9 PC 17:0/18:2 771.57765 8.783 PC 17:0/18:3 769.56225 6.826 PC 17:0/18:4 767.54649 6.326 PC 17:1/17:1 757.56171 7.583 PC 17:1/17:2 755.54632 6.598 PC 17:2/17:2 753.53081 5.52 PC 18:0/18:1 787.60887 12.533 PC 18:0/19:1 801.62467 13.377 PC 18:0/19:2 799.60918 11.686 PC 18:0/20:5 807.57738 7.49 PC 18:1/18:1 785.59298 10.106 PC 18:1/18:2 783.57729 7.829 PC 18:1/19:2 797.59339 8.972 PC 18:1/20:5 805.56177 6.055 PC 18:2/18:2 781.56173 7.284 PC 18:2/18:3 779.54623 6.061 PC 18:2/19:2 795.57758 8.43 PC 18:2/20:5 803.54615 5.34 PC 18:3/18:3 777.53077 5.155 PC 19:0/19:1 815.64007 13.648 PC 19:0/20:4 823.60916 11.22 PC 19:0/20:5 821.5933 8.545 PC 19:1/19:1 813.62488 13.182 PC 19:1/19:2 811.60889 10.917 PC 19:1/20:5 819.57698 7.498 PC 19:2/18:3 793.56179 6.605 PC 19:2/18:4 791.54612 5.913 PC 19:2/19:2 809.59294 9.705 PC 20:0/22:6 861.62472 11.995 PC 20:1/20:1 841.65582 13.84 PC 20:1/22:6 859.6089 9.104 PC 20:2/20:2 837.62481 11.896 PC 20:2/20:3 835.60881 9.8 PC 20:2/22:6 857.59177 7.275 PC 20:3/20:3 833.59299 9.015 PC 20:3/22:6 855.57745 6.048 PC 20:4/20:4 829.56176 5.666 PC 20:4/22:6 853.56192 5.355 PC 21:1/21:1 869.68722 14.367 PC 21:2/20:4 847.60855 10.43 PC 22:5/22:5 881.5925 6.597 PC 22:5/22:6 879.57726 5.488 PC 22:6/22:6 877.56206 5.02 PC O-18:1 521.34814 1.328 PC O-20:1 549.38 1.824 PC O-20:4 543.33235 1.036 PC O-24:6 595.36391 1.188 PC O-32:0 719.58296 10.871 PC O-34:1 745.59827 11.077 PC O-34:2 743.58284 9.005 PC O-36:2 771.61401 12.018 PC O-36:3 769.59799 9.213 PC O-38:4_1 795.61495 10.54 PC O-38:4_2 795.61406 11.579 PC O-38:5 793.59873 8.834 PC O-38:6 791.58285 7.948 PC O-40:4 823.64543 13.52 PC O-40:5 821.62931 10.855 PC O-40:7 817.59932 8.158 PE 17:0/17:1 717.53059 10.171 PE 17:0/18:2 729.53145 9.454 PE 17:1/17:1 715.51497 8.183 PE 18:0/20:5 765.53048 8.087 PE 18:1/18:1 743.54629 10.906 PE 18:1/18:2 741.53057 8.438 PE 18:1/20:5 763.51504 7.293 PE 18:2/18:2 739.51497 7.847 PE 18:3/18:3 735.48414 5.506 PE 19:0/20:4 781.56211 11.558 PE 19:1/19:2 769.562 11.75 PE 19:2/18:3 751.51473 7.026 PE 19:2/18:4 749.49934 6.321 PE 19:2/19:2 767.54614 10.468 PE 19:2/20:5 775.51475 6.603 PE 20:2/20:2 795.57714 12.774 PE 20:2/20:3 793.5619 11.715 PE 20:3/20:3 791.54636 9.711 PE 20:3/20:4 789.53034 7.515 PE 20:4/20:4 787.51488 6.052 PE 20:4/22:6 811.51538 5.717 PE O-16:1/20:4 723.52009 8.95 PE O-16:1/22:5 749.53565 9.06 PE O-16:1/22:6 747.5204 8.25 PE O-18:1/20:4 751.55163 11.905 PE O-18:2/22:6 773.53623 8.475 PI 16:0/20:4 858.52546 5.516 PI 18:0/20:4 886.55672 7.249 PS 18:0/20:5 809.52052 5.829 PS 18:1/20:5 807.50469 5.333 PS 18:2/18:2 783.50633 5.696 PS 20:3/20:3 835.53629 6.999 PS 20:3/20:4 833.52026 5.461 SM 8:0;2O/26:0 704.58363 7.477 SM 8:0;2O/32:0 788.67673 13.857 SM 8:1;2O/24:0 674.53618 5.078 SM 8:1;2O/25:0 688.55212 5.836 SM 8:1;2O/26:0 702.56745 6.693 SM 8:1;2O/26:1 700.55185 5.302 SM 8:1;2O/28:0 730.59867 8.999 SM 8:1;2O/30:0 758.63022 12.007 SM 8:1;2O/32:0 786.66115 13.624 SM 8:1;2O/32:1 784.64577 12.007 SM 8:1;2O/33:0 800.67687 13.941 SM 8:1;2O/34:0 814.6926 14.218 SM 8:1;2O/34:1 812.67679 13.602 SM 8:1;2O/34:2 810.66135 12.503 SM 9:1;2O/32:1 798.66149 13.258 DG 32:1 583.51765 12.434 DG 33:2 595.5184 11.439 DG 35:2 623.54915 13.521 DG 35:3 621.53329 11.804 DG 36:1 639.58027 14.292 DG 38:2 665.59604 14.304 DG 38:3 663.58033 13.86 DG 38:4_1 661.56477 13.387 DG 38:4_2 661.56457 12.506 DG 40:2 693.62743 14.783 DG 40:3 691.6115 14.393 DG 40:4 689.59586 13.725 DG 40:7_1 683.54944 8.42 DG 40:7_2 683.54906 8.936 DG 42:7 711.58034 11.82 DG 42:8 709.56487 11.373 LPE 16:0 437.29067 1.603 PC 37:3 797.59227 9.449 PC 42:3 867.67295 13.816 PC O 36:4 767.58314 8.701 PC O 36:5 765.56828 8.201 PC O 38:6 791.58389 7.026 PI 36:3 877.56733 5.894 19-Norandrostenedione 272.17764 0.836 3-[2-morpholino-5-(trifluoromethyl)phenyl]-4-phenyl-2,3-dihydro-1,3-thiazol-2-imine hydrochloride 405.11346 1.17 HexCer 18:1;2O/22:0 783.65866 13.861 HexCer 18:1;2O/24:0 811.68969 14.395 HexCer 18:1;2O/24:1 809.67439 13.837 Ketamine 237.09193 0.62 Norketamine 223.07639 0.639 Palmitoyl ethanolamide 299.28243 1.823 SPB 18:0;2O 301.29801 1.339 SPB 18:1;2O 299.28241 1.223 Stearoyl ethanolamide 327.31377 2.673 METABOLITES_END #END