#METABOLOMICS WORKBENCH Lxu_20240905_050109 DATATRACK_ID:5174 STUDY_ID:ST003469 ANALYSIS_ID:AN005703 PROJECT_ID:PR002122 VERSION 1 CREATED_ON September 5, 2024, 7:59 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 white adipose tissue to support understanding of early ST:STUDY_TITLE metabolic shift in presymptomatic sepsis patients. (Part14 mice white adipose ST:STUDY_TITLE tissue 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 white adipose tissue from mice model revealed early septic ST:STUDY_SUMMARY biomarkers in white adipose tissue. 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 SA020912 Sample source:White adipose tissue | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-025-SA020912_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-025-SA020912_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0271 SA021007 Sample source:White adipose tissue | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-018-SA021007_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-018-SA021007_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0193 SA020905 Sample source:White adipose tissue | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-032-SA020905_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-032-SA020905_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0267 SA020979 Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-020-SA020979_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-020-SA020979_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0203 SA020965 Sample source:White adipose tissue | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-028-SA020965_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-028-SA020965_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0197 SA020926 Sample source:White adipose tissue | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-021-SA020926_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-021-SA020926_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0189 SA020884 Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-010-SA020884_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-010-SA020884_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0199 SA020937 Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-011-SA020937_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-011-SA020937_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0204 SA020972 Sample source:White adipose tissue | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-015-SA020972_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-015-SA020972_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0268 SA020986 Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-019-SA020986_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-019-SA020986_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0274 SA021028 Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-014-SA021028_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-014-SA021028_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0272 SA021014 Sample source:White adipose tissue | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-024-SA021014_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-024-SA021014_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0202 SA020958 Sample source:White adipose tissue | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-034-SA020958_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-034-SA020958_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0270 SA021000 Sample source:White adipose tissue | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-027-SA021000_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-027-SA021000_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0198 SA020931 Sample source:White adipose tissue | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-012-SA020931_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-012-SA020931_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0273 SA021021 Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-017-SA021021_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-017-SA021021_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0201 SA020951 Sample source:White adipose tissue | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-013-SA020951_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-013-SA020951_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0190 SA020891 Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-033-SA020891_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-033-SA020891_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0192 SA020898 Sample source:White adipose tissue | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-029-SA020898_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-029-SA020898_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0196 SA020919 Sample source:White adipose tissue | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-031-SA020919_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-031-SA020919_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0269 SA020993 Sample source:White adipose tissue | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-026-SA020993_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-026-SA020993_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0200 SA020944 Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-022-SA020944_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-022-SA020944_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:White adipose tissue | 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:White adipose tissue | 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:White adipose tissue | 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:White adipose tissue | 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:White adipose tissue | 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:White adipose tissue | 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:White adipose tissue | 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 White adipose #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 ST003469_AN005703_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 SA020884 SA020891 SA020898 SA020905 SA020912 SA020919 SA020926 SA020931 SA020937 SA020944 SA020951 SA020958 SA020965 SA020972 SA020979 SA020986 SA020993 SA021000 SA021007 SA021014 SA021021 SA021028 Factors Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin Sample source:White adipose tissue | Group:CLP (24h) / Vehicle Sample source:White adipose tissue | Group:Sham / 13C-Serin Sample source:White adipose tissue | Group:Sham / 13C-Serin Sample source:White adipose tissue | Group:Sham / Vehicle Sample source:White adipose tissue | Group:CLP (24h) / Vehicle Sample source:White adipose tissue | Group:Sham / Vehicle Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin Sample source:White adipose tissue | Group:CLP (24h) / 13C-Serin Sample source:White adipose tissue | Group:Sham / Vehicle Sample source:White adipose tissue | Group:Sham / 13C-Serin Sample source:White adipose tissue | Group:Sham / 13C-Serin Sample source:White adipose tissue | Group:CLP (24h) / Vehicle Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin Sample source:White adipose tissue | Group:Sham / 12C-Serin Sample source:White adipose tissue | Group:Sham / 12C-Serin Sample source:White adipose tissue | Group:Sham / 12C-Serin Sample source:White adipose tissue | Group:Sham / 12C-Serin Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin Sample source:White adipose tissue | Group:CLP (24h) / 12C-Serin Cer 18:1;2O/16:0 575771313.6174833 734849152.8201969 799727968.5322288 662108395.8273392 544161296.3545537 389133101.4664766 717605857.2106901 203069518.90150556 242757756.91050136 324183105.4634951 82169378.4515883 119997239.55131567 532384658.63902307 1058781588.1483285 111109540.0948977 162123517.47911078 46946320.522227205 60446566.03200981 72362003.0601409 97616332.7877659 168253412.2117963 57200925.27617051 Cer 18:1;2O/24:0;(3OH) 260891995.80207554 253591948.82795918 54082702.73293597 266618518.6889416 147091060.90995932 265936486.17517 5714795.58165337 3477282.0820400314 2869977.8334857333 4369467.562799387 3656.023399320186 351912.3993015322 3769709.0421027704 8202711.2259903755 2164732.691934226 1069908.375475338 419244.0029479284 1120488.6679931644 1503706.0004170982 222.24119914411716 1291114.3634941364 4614706.521648263 Cer 18:1;2O/24:1 299253452.5667369 346196776.5193038 239164134.9456934 321154027.76650155 237004205.30215943 175379659.5908481 242222495.85091743 87144315.607439 92104396.20501618 99646057.53645274 35584511.199284956 55742779.35630565 200846426.7368773 245313427.1742255 47731574.97183034 42818580.88888466 35709633.02785809 35587319.978107266 41320259.7777105 45383545.37512439 96023304.44217123 38477950.332916655 Cer 18:1;2O/24:1;(2OH) 623756391.4149482 558572638.571953 543092784.6880385 450925196.2044098 511079402.9645616 385469099.3507617 1213920.555832209 275690.3725856149 2732524.907459451 445223.7847176225 4029190.761334173 2588.696707563654 675652.3447993685 1591853.2266808972 248965.54579385344 4409359.536469482 9083095.08202013 9240538.957439752 311807.1935176519 2216.8662386964643 303319.7723029632 103742.2336241066 DG 14:0/18:2 50864660.500127904 33255942.797754377 16851841.03584458 36840849.203514956 45705798.00819319 58856910.037762925 532969898.2038206 473207585.7226643 580229577.9388698 721209327.2082071 82211598.51172855 123970222.61672541 321858686.5956644 937516115.9994555 80486807.59812152 97035751.10828443 60861046.02848575 73905368.55521005 100845736.85385752 67861008.61114968 240885944.09177464 784215162.3033003 DG 16:0/18:2 336177825.78861713 115276098.83357087 56253181.08450867 112416190.55274326 318551449.15762585 361502812.5670273 4212247545.133539 4891358746.1861 5315013556.227461 5719045971.473491 835367233.7525256 1564862354.6087382 2569405801.9541354 8696769712.276762 1117047930.3083901 1095800687.0515494 1076349617.5954907 1060926038.2564423 1523443092.9851766 522413635.7972174 3213996011.919192 10839743442.886795 DG 16:1/18:2 3029378.1041578595 1213015.4570776278 2570824.540726747 3205384.5249851597 938865.7857713627 2454001.7554579196 40490932.71376536 55840768.57950705 64002815.96939786 86201391.54988179 9193680.370610744 12737657.626296079 22844379.477064427 99609483.69333512 16290198.59230799 25544593.14067684 6879521.575788736 9665942.724838443 11782015.806569358 5289635.630165247 49328082.704596065 199450341.96723288 DG 16:2/18:2 36951822.74485051 22518668.252851456 79066663.36460719 38804119.21362317 31524723.904723566 64418960.66562371 480193485.13903946 302368517.1869198 351096329.9122019 467933981.5261605 78413126.78528766 85864752.68194358 237402568.22560313 552543610.479169 104711936.1783905 170377434.82888833 62279776.623207346 70557639.1155203 78332194.3359971 54836833.27044619 217145120.02376106 863354118.5540684 DG 18:1/18:1 257600375.12037882 177994856.16392717 93277627.29854274 172881160.14733014 257493298.64236063 305318742.2969918 3246069132.3665724 3237229607.300074 3511845741.5164075 5366343123.773139 509347899.91947246 1207682381.7708802 1458196949.5157156 8485536673.125614 644538556.5473368 722926467.5565792 524277675.5320077 589089570.8438281 605887231.2868012 286368952.8747524 2209184149.326691 7431836148.886021 DG 18:1/18:2 915371855.9564215 1651964029.32923 1134643883.0805976 1868144028.3664587 707474497.904008 2729809238.770526 11445899020.93788 9808683871.373322 10436218030.621965 17633170022.679367 1745109211.3366091 3293023060.6644125 4559336073.433524 18167349891.677002 2474423836.8545666 3743493219.431499 2445141239.9357214 2746155913.9257145 2663833706.3897305 1066340444.9703918 6870752837.9064045 22153096528.384033 DG 18:2/18:3 141681814.4650966 86815283.42975913 107364637.07871698 106081418.74498758 65572368.94709282 172807132.5447723 1427345384.6997313 839636490.8695786 1102523144.4423513 1596400219.0345657 244583609.02118096 336076444.51217204 469703676.15793055 2011716286.806728 320743069.36648923 680760524.5916833 292430056.26082206 297372545.0679566 290192212.5798382 193102306.22476238 717240730.5212301 4901130698.004229 LPC 16:0-SN1 814150735.6506513 473140531.5665994 946013296.5551406 309815641.99402523 1370899811.0925329 362872514.4064137 231072359.41863316 63982347.8043823 99798071.33034985 77653835.33830088 10877520.862623656 11565997.737077452 166723173.35718846 79732356.95299762 11475668.635643592 31885251.533322092 3339874.741785619 5481002.166919917 9371398.752698373 4670739.465097424 15955331.328462914 17168466.194870535 LPC 16:1-SN1 124276551.25981407 48841252.483857825 150799176.43600395 25186854.040121168 170603003.29642594 40074767.96999572 4820735.650943009 1618119.0665796036 4353094.8926887885 2754018.116864364 2647074.747511093 938856.3454099962 1553052.9294897888 3763951.0629769512 2406647.659430594 4196643.798931278 1422130.2622274447 1285124.083364606 579625.5753665005 2222878.624418427 985798.994390671 1114129.349512755 LPC 18:0-SN1 145661290.69923058 180881327.89714792 188620557.6252152 153968418.3181726 185533903.00446996 79426448.94984832 449708701.4052765 94430497.16771683 146538611.05836612 129985941.16706803 13295502.57708391 19349120.016504727 276810933.7274467 320194581.7121383 12062861.271565188 45888832.31549076 3604360.92795299 7329227.329196128 10688473.395146199 5790151.043763046 23802380.896801434 20901607.74826939 LPC 18:3-SN1 76845173.48171945 33202096.97493918 54044985.55135999 22511034.083812766 100008052.05174322 27509744.95901132 2451265.5618927 1133.3821281493101 1451797.4982418434 447970.02287606837 3610.02147924699 3643.2818496059313 965847.8797378959 923363.9912849296 37587.44985988235 361643.3948201592 2318.210112765376 1907.5281771285154 198817.31426444554 724567.7919261353 1353244.97526266 82661.40522130081 LPC 20:4-SN1 264442848.16216803 138011187.1534338 146188353.1734034 119143989.80304642 364286084.29525787 131458889.38987468 86605699.37974323 13111980.226649655 17681490.556492247 22760371.53032144 1360211.3883793144 1600995.7045388727 23457915.300864935 39008086.49334316 2659191.007265575 5180249.645298273 598568.7147628732 1357767.2780822022 2127509.3606178965 627500.1119622857 4454101.789761802 3855727.4473249577 LPC 22:6-SN1 155923132.2273086 109881531.43052514 121203077.89927164 51543787.16612809 232780528.38011435 53130140.79533923 20453969.451323897 4123509.4477108116 9117720.104511082 14937356.252461279 621970.5299813008 768265.0127264482 7240023.120873929 17576145.23786717 1484753.128285356 3470283.361345406 680401.6818093462 247299.71897956223 912059.6163905681 478276.91911168897 2293015.553552107 3611369.2912976174 LPE 20:4 56855037.548522845 37794848.86073509 38734218.49493772 41964847.11805865 48912214.30236539 20059456.81642431 14649784.039932787 4461245.105986114 5464920.022445206 7345075.099579382 1091723.824253586 1920296.7826817264 7568935.591731073 14844475.522116035 2516903.1200049017 4002577.577944632 331949.93041045114 736635.9146297731 850963.2703272288 277769.6387187583 3046618.598163167 1583232.429103143 LPE O-16:1 37690113.16601301 28906047.386424858 37805243.87132848 32303703.916522346 25670295.765608575 21394936.140543144 5454534.475834942 1874202.9371740168 3626739.2448332747 6734961.014788553 175798.48657585247 646461.7825841687 5182374.671527907 4423322.354803934 552521.7618437312 2913962.3571203 134408.3036302149 185516.3939434555 300349.59444503416 46837.849159831116 1263716.345495128 960416.0867396845 PC 15:0/15:1 461858013.56887966 331934130.17586297 602901163.1749818 368630233.06932217 413866270.5329425 181234212.60917535 4326142.540978839 2208405.7970555983 6839373.281623756 3050394.10052113 2957.0926544845092 260466.02500823478 969705.6328217391 35679775.51258914 4332279.711324473 26531105.88302698 332862.8347819365 821976.3479727329 337302.94405874354 180282.21692910703 4472416.6206760565 136503.6361965262 PC 16:0/16:0 4121969406.127946 5247684143.628212 4609517885.208134 4876450768.044097 4308567727.668682 1964490694.0770214 2018158183.387111 629917920.3852278 949145459.0111524 926166077.1843903 212939890.5477243 390760730.8339774 1198543085.930263 1941128459.983799 387973502.22272575 518626070.81030136 78624351.50499007 116576268.68655287 172674660.16113403 157538129.5033417 669005003.1102751 189508876.2878042 PC 16:0/16:1 12709327726.15652 6922296520.98932 23307908563.663525 4199220185.768505 17458316728.9274 5183674659.4088745 13887923.67586959 107450211.4064342 273309754.6033621 199418924.6586153 60545136.39048115 71196306.23301513 167161669.734807 4341023.557211431 161761174.6003246 330893152.8789838 17099036.54490591 28502369.192360587 44482251.062735885 35905453.367807806 217593716.04389066 93637899.40902355 PC 16:0/17:1 2681732923.328482 2288736898.482898 6130498087.721569 1346929391.7454085 4197653188.187715 1268296315.6236851 39935907.67959653 12595589.046892392 41009198.64697725 26143514.266089737 5407046.062314247 6521056.116979372 21603947.027755324 57996869.58019613 14781336.212030802 19538487.666784607 1723363.5323720018 2482199.370754243 5044203.710767787 2838329.0970034413 24788930.793834325 8538579.69973146 PC 16:0/17:2 436722266.015364 357535370.4117197 715332799.1529686 342446522.2400291 599470803.6129788 273444983.6494907 120851215.06008221 35304305.5508844 79607816.01583195 44783430.08316265 10738573.805339243 14406129.836111287 69828796.69394656 99811698.7127834 22924947.2398215 19400915.43078795 4205818.967947985 7013132.321980491 9643637.180852082 7462342.926707159 47954651.17244185 9759472.496737013 PC 16:1/16:1 700867963.1314178 414700499.2953176 1751824713.2752614 86285130.45108235 973414928.3232775 99254212.47479412 1549.0302098401976 1881.1283710176615 40136443.58891435 18580111.04472127 964357.9737127702 4640593.357124174 15414179.312338527 63491826.60215574 2446040.6970654903 33186.96690113071 116620.46977142467 19106.06931239936 6420929.84425571 258294.22483231468 20995597.076902665 1618954.0225604004 PC 17:0/17:0 421804294.07472533 520432324.20431143 319630991.7739742 673015680.5908675 264880412.36591354 243289386.07319844 186666225.75356892 65727216.52970199 134139410.18737401 90730853.29288888 28218466.032886893 36693433.8306243 111434544.90418775 436588821.23034453 39267572.09651035 111225577.36111914 12713232.034249797 17167527.193469573 24991952.487587757 22094107.92478043 99246815.89812589 26815233.02259463 PC 17:0/17:1 92513169053.34145 82165969438.40698 81973794145.52986 62900709409.00029 105364648301.6012 48050336738.92822 4068267682.3783326 1139508563.7276862 2692765985.727109 2088513884.6987062 447344791.14365584 792732373.293418 1790687694.9065766 6300091370.7293625 928464951.7283762 1754736035.3664331 32166.02902601827 215093646.05378097 284688791.5251446 320537611.14009726 1283279398.8276315 642973960.4542376 PC 17:0/18:1 705759356.7782716 665573855.8944029 901901384.3176879 497293465.8368613 1026366194.0255194 357922125.61390364 147560652.96379519 229994.74579662614 112641315.66146642 67412332.82368657 9652016.404819403 17703139.465914913 59667787.200300045 149826013.25927746 125941.47195339552 168031.59107519093 2342870.742166675 3538261.160630076 5679627.677011265 6816680.503279129 48352361.402193956 242452.26065408625 PC 17:0/18:2 247041138.77408814 226644816.82070974 358870244.6777386 199878385.43746153 345311624.8344302 100873144.1555206 386271189.88937074 108802901.31965894 283868180.2842564 116435421.19295269 56290914.29079862 89249423.62018403 244291971.57790694 195565928.72520116 68715121.74177462 67797414.41039221 26791682.936873302 31351053.741465583 43034639.937031426 62094455.36741081 155524852.9451918 33706358.86534982 PC 17:0/18:4 166595246.49123004 173980443.99294123 369029943.27373 115377665.3514887 405567732.56115013 112465591.32103713 27023239.670165107 7349796.567790841 18309065.57524687 8685435.348993631 1285763.322763425 5045205.942827014 16286588.751184694 26619817.586155787 4832089.799491632 4353662.792730881 748345.8008214245 1317934.1147401019 1301191.2074310787 1005667.5977866253 5827366.436810909 1494191.3297653198 PC 17:1/17:1 13992428564.495646 12298892484.118563 11921546985.31712 13648385009.564854 16214977248.556004 5412768553.294653 12020295702.877163 3080218584.5776157 7634493023.427705 4856966853.899078 1865094982.4105892 3019871148.5074434 6465684465.057997 7951814986.7669935 3419206190.3663664 3114350893.7866893 869079422.2363486 1155427549.6335592 1603605413.6098645 1842589304.8981586 5252597838.070804 1713608473.7774093 PC 17:1/17:2 4111016564.9452763 2973319158.4432755 4858597963.198426 1725545472.3914757 5463393963.820768 2219904839.5752807 102056136.8555908 25156907.53215368 45172481.09406502 28031853.159436177 5302039.079665403 15866391.477107877 38478039.298797026 315026344.345958 15284976.240809437 30665214.64796435 3802147.0955810007 5051666.541668891 7781523.55649691 3961788.5300140525 25056806.807854272 12440963.51993756 PC 17:2/17:2 141710799.85560834 108805215.51023068 223161798.88188392 79398860.53289945 284504404.0543699 78745574.44855657 7934937.394419479 2226014.2577581652 7137635.501415659 4087167.751412721 2747.8570262031567 630276.2084804686 2697986.8370005945 44449942.292198844 3261597.1947408966 9736025.481907079 1859.7797507428631 103712.26543291104 3492.396512577418 1942.0289559080177 2278522.2929912056 535648.2467566343 PC 18:0/18:0 157707192.01531935 220801622.18464866 91449989.45620954 311650224.1231946 64460316.8616536 104532347.2732515 41031800.66628369 9581047.213448105 17875629.572070114 14419162.6803135 1232047.8076879645 2210521.982812824 18258293.76146977 1187360633.4338033 4700255.331779004 70710681.9123056 1568107.509578037 1813664.042607619 3748700.9142224304 519850.61450852355 8427336.770006882 1459883.9939456268 PC 18:0/18:1 4893823452.92296 6058294979.408163 5950260990.298485 4514607178.932027 6581233332.381504 2471990583.951406 2287588123.0154147 629575976.9248126 1490145193.338886 894265614.3707972 250076111.499764 496918656.51922554 1077662530.2253377 6646028812.219699 369348649.28877693 1198687958.860627 72495192.8640673 94067919.76781665 110214857.59415877 156846155.2717151 712640266.6475825 280714302.4374463 PC 18:0/19:1 71555322.3479774 89087772.41856597 82429524.57132217 90898653.80940874 74219164.91364744 29323457.775096867 49566642.5314912 18681003.35317043 42829317.7975811 23337204.610149942 3639468.935109846 10576745.766308354 36628792.46836119 39114314.250293754 4799525.135213681 7752260.295533708 2522614.3526334474 2192824.668346744 2685453.111572645 2466205.994522795 20176080.768580463 2972893.1707009375 PC 18:0/19:2 42387089.48686728 58722016.70678005 1883502.7673191312 57799226.70444184 35789000.68336016 831224.8542564496 367588014.7073972 126487824.88384868 265777054.6508182 111320343.48802578 33410483.68085632 83078001.45700803 297766695.88867855 171147948.4298954 35968665.73516124 33518941.39490077 13474861.551349765 18466511.39167805 28796413.613658104 39554210.986016504 100890117.43270776 17173101.570978828 PC 18:0/20:5 381562469.6349084 416574673.46122605 514323379.4282884 333509964.6952616 1061205580.7328382 198931679.50189912 107228768.11270824 27046081.66525929 42367763.0639335 44246220.76504001 4178640.193638129 8277208.64618792 35578283.26263113 689611839.2684559 27049548.455494545 284405203.38095516 3450367.477753001 4005085.607428942 8152814.042576552 5204396.171426017 29016853.53448798 11943632.200193621 PC 18:1/18:1 3180597757.0380025 3303416093.748004 1984079625.1611834 3729007816.476539 2406344159.4247336 1340607469.0166752 29011283410.818058 8788424751.911945 19932732309.37506 8349835955.851993 2223091338.923271 6311934968.277623 18111476138.092724 18440693798.619377 3879651281.34955 3252163877.7554364 1042926689.3953435 1236645111.5372553 1682840419.9532437 2204626161.0445843 8568832274.837415 2377139490.290899 PC 18:1/18:2 2671998291.8542233 2633803569.146266 3063535043.020929 1477503699.5434637 2692872791.1640806 980978163.3096642 1546977173.7377195 9119134.15749018 888491600.7094827 539581171.0319717 157057146.55098087 72901339.68984166 1053278041.0937458 918537003.6996719 5517023.958779669 13014429.999897918 186075.17177631988 225519.89342295076 68536794.37747164 127713068.89231335 9746678.388394522 79500039.34810752 PC 18:1/20:5 4184717807.2558355 4964510821.574591 5589443970.27352 1960389380.557455 9039739155.292698 2030209167.650916 904087096.1483986 109300497.21652263 220368782.81408188 293096843.3149589 38228764.080033794 65031015.31808978 217467073.61046925 1663564283.0547273 112124739.64975148 284400505.2483472 16820982.406166077 18169203.99419056 35318729.44062233 39775542.01951637 150718914.11172292 118433842.155628 PC 18:2/18:2 12560152658.273802 12262320843.22504 12758523819.202835 10333758635.853394 21140628538.861355 7920765940.162818 5947862092.8273115 659546033.5538615 924164755.9957 1252967085.5630932 235747941.60331205 398718558.3753402 1062748305.0812683 9287006000.035711 670360910.5317299 730546660.5042562 81149167.38324197 108152425.15396379 178191427.778901 227049940.86849323 507855544.81569123 273911864.6833142 PC 18:2/19:2 135841986.8036615 177631676.85977885 182891892.1509332 203312182.44588226 211154691.51842007 94028274.23585446 115810961.67013504 18145475.33927429 32963407.514792085 27837970.733089536 8271943.276704464 10241523.122973893 37954232.81466556 115766530.175364 14651785.622212514 13553377.138906155 2587925.451998222 3959881.106273666 5513725.739737987 6412764.978722217 23220472.346727096 6872342.726221122 PC 18:3/18:3 31128165.849136777 38485296.16561825 66856839.073216416 22033177.92945585 95805530.23719181 22933150.734257057 337886.6420717218 173.70834546229435 801510.303867253 559733.2341268677 1799.2711873792439 2376.8022001074164 65047.552110468874 34091562.64294721 193322.27285247724 3743076.282557207 772.0127962372787 3200.776403054815 870.415832453368 1845.8059894867404 236928.9288058565 28.798810486704046 PC 19:0/19:1 149079427.3922979 171150839.97077164 194895434.3986499 321118708.8605682 110600660.0732524 84859347.14870952 67654324.164182 21262472.31311224 43492764.79920359 25919448.07959855 1311788.5439536518 7882615.4717609715 38953961.58592077 63657967.82471588 7224229.864527588 8571863.877348341 622007.6390055146 807556.2264666077 1379391.538256077 1743.58769355022 11259583.064912109 2767700.439286312 PC 19:1/19:2 307025826.5417032 369689513.35322756 338164210.7298801 425672422.50501996 228696813.42076242 149364219.97303128 816978232.7894069 167362998.74855894 299119076.322142 259595000.60850173 63824888.62435248 118463930.52326527 303529414.8776848 1163811436.7737741 68682775.90466776 103762345.51043081 23348030.3950681 26534836.857733704 37710305.87646747 51687162.89898481 120099951.18192686 100046007.98239271 PC 19:2/18:4 42271849.850487195 52692581.10464927 130497147.4471367 18839668.019537736 132147282.19683287 26137810.504867833 1028093.887535096 2413.8738782153696 95155.1733774281 309489.6804831157 3524.0664643326854 3482.4731095856237 99741.35785668317 2852780.64425241 3911.960387733944 2113.3726578632622 336.86925887607157 335.14938549904076 3505.666244861824 3148.7458360439064 178086.21416738766 3475.4283572864865 PC 19:2/19:2 5003913505.382908 6465899391.823049 4248410140.482253 8190040334.952005 4230777770.376807 2443418538.0116606 11793117085.42064 748843064.9414685 1275099336.1769938 1561354589.174422 307574638.657994 586041691.1231782 1451291467.6022842 23102281020.341415 568290614.8011036 852107844.8398218 109189735.9858863 118381706.52465546 187738831.46849564 313616432.3972074 725477443.5943673 338562272.6816486 PC 20:2/20:2 189267542.85800976 234796174.56121206 178356162.3222292 272463228.53010416 133957057.98099455 84276786.90164839 56014636.18950497 16550055.976429636 19511259.829454467 18468741.42795787 2992941.1281135734 8085651.86748341 28153436.527017895 94887381.05686975 9762915.166470677 10436431.75400376 87930.59426364448 1437587.5308828065 2076763.0556904923 3313571.162506934 5752068.861171612 2308837.539288497 PC 20:2/20:3 278571836.00464123 367754828.68663305 264472612.65800232 360801563.3530429 203580582.8350244 125045714.45375784 202062680.9784032 40642979.270958595 56819402.56828608 55951513.491334334 10151443.077637468 31052222.725278195 86042383.80070767 343485954.56963265 23194924.386724245 27087369.678158395 5371388.249269415 6912043.9017683305 7433115.009997735 13682292.951119842 26807346.865713026 11367621.003952507 PC 20:3/20:3 885195762.738356 1486462094.4490662 1046820258.0247612 940228569.7672296 955928508.391771 366611292.8939208 565036240.4999595 64879895.655347995 167043876.2926479 179219495.36964852 31869911.440383483 47745199.51166753 123571652.37337871 3752505697.329851 62995820.565941 268489785.94759166 10801972.60645952 11954684.852126023 21468778.803326678 27825419.852351982 100236444.83029605 64637050.69638017 PC 20:3/20:4 1442558944.0250852 1516941971.09751 1603878197.2844737 611242540.1928915 1488568966.5611904 565357096.1450588 95407122.97810805 23539753.50237175 50327728.24670825 49178318.71401708 4825345.808041114 16056199.848549237 32239117.804282967 391746068.81406325 26152689.712173536 71589584.11255912 3124069.1627814956 3498824.3605242767 7129712.278437606 9329587.690078553 31839924.864353642 16536481.679445552 PC 20:4/20:4 507137837.20583934 452397990.006981 583766414.304385 252087215.56753638 662117965.2022842 171650451.00241497 76769568.22159298 25485489.543623503 48121334.24777637 48276807.00617519 6060464.97099241 14721782.871976404 40736326.19182959 150388444.53063193 20748230.580018155 27193222.71344061 3161194.909975762 3930312.0326564144 5766924.648008374 7734696.573925573 25616715.513068072 9676828.102426527 PC 20:4/22:6 107298279.65247592 110154116.22908911 147534202.1362256 58632642.27447167 145701357.50538212 40488711.753120236 12991438.782281164 4889322.533919941 8852368.960509526 11907034.004615998 618.892545637133 1396684.0284695774 5243283.017336096 58017097.950687036 3642532.297276916 7002886.23288675 44263.3783742655 126443.8480540382 419978.05988385587 1095.4547179256192 3650947.0184836104 1568983.3641060526 PC 21:0/21:1 156454177.20474583 243008403.2652285 96684092.56529598 420535507.3244155 86088919.21193565 63623400.575510755 11766117.61736617 11262603.560458384 14567837.209964473 7303119.417760291 11655500.612730274 3164900.5802902994 2448718.4429539805 39436047.77176161 839634.4899574092 6246534.325971805 8678942.504305296 3918823.377016324 10674292.456458712 20605895.628836688 12771133.435121661 14949278.10663045 PC 21:1/21:1 60348205.51409337 105436891.6270169 42650637.88163166 239817911.06500474 34597879.379989445 32502326.49279025 6577318.2736218115 1359760.764346476 2255914.668777262 1421854.0746615978 230599.43668393305 206018.82450153414 2301904.8577214666 8270435.5027315775 1612271.9193140923 22380874.44238052 1991300.1830730396 10975304.351678861 2381941.716184691 1421164.5100685565 809473.114538707 2938950.878089016 PC O-18:2 305224154.38546616 148861555.83461353 171051199.8366997 73327133.47633962 337615630.14466447 96302677.65590037 178947706.64269176 85066747.13898353 124308490.87795836 71031898.45187214 16139603.642994925 19556537.400288325 178697039.80190045 45772169.755608186 14645386.463291368 14215872.944331044 5939501.836030012 13796081.59527678 15520287.07105507 8920991.645510806 31504427.800274834 18111215.227387574 PC O-30:0 737108368.68054 536242564.02388567 537293545.673257 584238926.8152558 576870568.3546141 350610452.97006094 8630624.704697942 446173.50416458584 5020341.105626336 18384371.937542528 2941.272932972935 3192.2976469958676 1684953.5673278046 6483271.68890877 442777.7958066118 2610293.3937951233 1281.8849615234756 1168.3793867545874 2967.424130102765 1533.102033585898 1239447.423524318 1240235.8077861764 PC O-32:0 523847705.4398763 381789630.711439 234081776.87863377 519329308.23732656 262484245.53409222 242192936.49998146 221861681.22954857 34302824.008487366 131619811.90645571 525374959.7633654 7400592.805762458 19324108.8107798 70709766.56565888 106048368.11265802 23183256.164524097 27445392.70276732 3838178.9282343034 8555438.969642283 8032327.178570241 8948192.50865091 50056899.062417075 75793409.70453618 PC O-32:1 999227906.7152768 693411977.896295 1022000408.1695478 911860897.2324648 613263279.3852259 360692102.2858385 24501327.236662235 2944151.355536269 13659544.991720842 35010583.355018325 761.7726643516254 1193624.7977784679 6946425.809974179 21278182.10618797 3594287.850779305 8800468.587147199 27725.32704800514 504037.96872629575 183299.91099737998 2394.1583913980903 5431446.015416757 5291240.276712056 PC O-34:1 294351023.70374936 414146113.4340185 340536504.3321568 337377869.8324935 222189049.00093606 133030454.41236304 164912413.36848295 27483373.88827283 80636875.43569994 269459480.17864776 7367915.064138271 18282807.721057687 59229883.87926114 111645074.62203531 18840347.523920003 27562491.37110398 2999819.8274326213 5751768.245523131 5942967.7723137485 7584905.638549675 34144990.82255794 45896094.061984695 PC O-34:2 251527630.2469364 299727600.6621801 342954897.2470569 263445597.22041774 149730421.85542774 66822221.4982581 388728266.6237697 45412020.48658893 113248879.7361631 294303381.01420814 1152985.3429651684 29414526.185840953 143500960.58118933 131812131.33985355 20958512.070308123 21127010.67608481 3612112.8425370445 10279239.412264194 9038497.988719534 1213507.8185798577 37757534.69966085 42492294.02791564 PC O-34:6 318899689.84366673 280433297.0697895 419357108.97441363 156951763.0746523 492027540.61039925 114188752.79546739 144045.5005696651 1993.4881564295665 131626.63453190436 3289.0187884886573 3351.065347211316 2801.4159350303557 3641.506856319181 515741.0833008022 3588.703528245313 74145.71539901191 1057.4732367758459 67492.05163752394 1971.3965576490905 1775.9320495889206 3332.3997528049076 2119.046642577828 PC O-36:3 51776043.01516324 94427639.5889806 47221903.269580156 49967039.86163784 27290201.527393032 10269135.783706145 54325671.74275159 3888077.7163701965 29140571.967081074 92924546.86789429 171181.5168530705 2269724.543872645 8435813.600452889 40321654.82313779 4455200.598450509 2445969.9127036883 84153.29764987876 435189.67815008754 563610.1683004767 236598.5303988853 8473409.326328155 12688510.452263374 PC O-36:4 503786192.9430097 380517751.22854954 323456550.86533815 500036817.7693428 258378000.09808898 146719220.62478212 146288444.65845168 31494133.060955737 70405855.82669428 120568963.3491208 8238484.810963984 23363497.19437714 80452280.73719016 162226887.66212735 23179302.954009403 32927501.993668657 4270147.406851218 6425952.458369279 7638066.292900281 14397270.087551055 27379872.733155135 18759005.910531443 PC O-36:5 962292217.734983 957025713.6222923 1328161006.6334808 635176396.0126497 1438277007.3178475 408485122.29211646 743919393.0644181 65802642.46754249 127991124.01645295 127598404.10343352 14252677.48980897 43280173.313814044 153343958.9005875 1053471281.3199468 29014404.136242907 116491979.86896643 4550491.823330822 6825975.695689253 10004760.69276787 12449385.370755045 56169021.575487785 11345263.722865006 PC O-37:7 68345133.52705131 89839776.28495356 162607176.00434643 35949242.59730031 91456784.41128384 15058388.399696188 1022786.3782873272 3646.0470558566367 503182.27272531023 2950.554209538068 218.63991874568939 138383.9755069164 124005.45188852925 62775.51097954036 65345.27749868559 123651.03345785174 209697.77660238568 59940.6197225201 159389.9141432601 3067.4581718959716 82228.49234639962 3450.980908240423 PC O-38:4 42153618.245305166 47413861.85188242 38239883.6558433 50163670.27800858 32001443.839273516 11687604.428461935 31675116.343132153 6323032.746966888 13375802.398332287 23461365.670209054 359272.1814430388 5480805.794271208 20304615.3026113 107656329.04483147 3236538.189320723 7155639.511738214 627769.63601731 1407833.3859726416 1137571.579824217 3139434.0642224066 4377860.024093306 3129365.7841305835 PC O-38:5_1 238036412.17780814 270126288.34300524 165973072.66457227 340655481.4171899 110399846.03118403 75038471.05011407 89786812.75609574 17254071.792451505 41909892.782513805 85503240.2116838 3590621.5320024 11649339.029278466 35646905.32260529 343873657.2307121 12045277.749915365 17142844.917196006 1123840.6128500423 1849341.769464634 3432832.4766623583 5429143.592180179 17451947.686836604 12228286.761223588 PC O-38:5_2 33766923.971732706 42525956.476971306 32554690.830572274 27807038.355941202 31894188.367981926 10975431.145427085 7707836.461339266 441985.57239600376 1575709.7840860528 3821130.5313742 403.86751927460637 93699.53323609753 1295744.6801697547 162811413.49049208 463105.68741547567 62788163.915981635 1897.2199332258494 4166.828128156892 2107.9331099030896 991.1844339118686 113564.21802050564 1749.1480917776823 PE 17:0/20:4 40982190.052248895 42055643.95111799 52327398.5026889 39846291.501456656 49060348.765472524 20510966.56389429 28273024.76515125 8866717.853308182 15659978.477483656 11544308.698234338 3450367.002697704 6571562.552494296 16481376.546554541 20897002.680235796 6797331.800826095 4446545.222893202 1194048.4233871242 1632657.1173412646 2949044.9338931623 2759890.3712988314 8448089.716263346 2185536.084987607 PE 18:1/18:1 682831835.9664423 589206949.3588173 455063112.12240213 781490730.5372871 597086796.0841347 318138617.8720783 231704682.16995502 101356112.72065128 118457437.6749419 134130427.57793997 17179766.27411124 136554362.9378549 216004673.72161838 214312513.8828799 77082615.50657754 73172183.84979023 20016578.732540328 33653330.86100452 37540283.85950211 27043823.963976078 109846268.32859018 39246014.68721566 PE 18:1/18:2 331831580.6593494 224517286.5546118 205931086.1420907 339345961.92904645 3127805304.657002 191738248.75031585 575373438.3542885 356933808.00826573 264099955.78413576 262070791.4577886 309280232.86764413 454607435.14859986 605207337.8953319 237558104.13265663 283720822.70166904 173452594.1473571 125550084.98962072 175896385.12408343 250393966.3963014 270079447.46739465 382679743.2204254 191366143.51643136 PE 18:1/20:5 611794102.5609185 779489096.1233826 527958307.034058 665920827.649136 694146312.5735779 318641901.3532995 203230580.44378775 48547287.315322086 77419612.16144729 101496739.01364374 45836404.85765311 55149838.94711436 78080704.58747986 249397680.6061382 67653879.80845946 59936502.222711794 22793467.870878857 20389913.68510855 36780450.457190365 47599498.79443183 75060849.06488682 57084515.569708034 PE 19:2/19:2 2050602627.8305113 2398563794.989474 2162722120.539687 2176636330.239309 2029528226.137252 1116143608.9534779 1854915714.10758 548193126.2574168 885603803.8697149 827136088.9884992 218674139.7782838 420512219.63790363 918580194.0976832 2513894496.5135584 368377204.3838339 427663456.7073463 96149523.63868098 99979064.88137268 141575405.69864652 191439368.72811446 392276888.7336289 226247026.77966446 PE 20:3/20:3 663763334.100507 1104813441.5805943 777368263.6944036 915589345.3582166 719017137.3754942 314744543.6829833 566663724.3647405 140018461.58350378 253219605.8613609 226505312.06897187 55089044.64953005 136513565.8662999 219255883.16057658 970869685.5186166 85441141.05621372 85350749.79876044 27325311.657832112 25844922.550976995 37850158.89816617 64421637.16781528 141078953.29201558 70520577.95911019 PE 20:3/20:4 361112259.9559184 493015771.55312234 216441015.4844858 475232971.3900735 429282110.64111775 151371841.38132805 178044911.28522345 64951517.82475298 75932137.8664442 87068736.34126078 48685816.07236616 82720241.1347509 125046546.10293032 266881410.45533508 52322488.15350564 45250137.48051434 26374240.77252003 25359409.988172375 41075155.1330675 65050106.5294026 56277494.881289534 26877632.701484535 PE O-13:1/20:4 92739821.47789055 60562474.31506567 162740480.84977227 33542283.296147175 128331896.01779449 34974227.587232575 41382.324315006925 1581.2958896862572 3801.447310528302 1547.5012279470363 229630.10382118207 2470.645064976407 55648.94318910216 492.25571702737756 2338.3861636813617 2491.446809399225 2624.751067192959 968432.8149849906 4208.7773076954645 3918.6904510328627 2044.1746217104815 3023.458954620207 PE O-14:1/20:4 1991589555.6026802 1375491272.8392107 2160923281.480944 905217677.4353274 1998135849.4717934 1121846684.9164906 22693609.507696975 16181940.766543034 19973171.846238535 13228221.585883537 6264258.158141235 7299581.277091434 12680413.04641437 69185771.0311467 9551339.834127972 26115016.930482294 8309602.39043462 9195583.404960196 8817021.517746333 4740842.376720499 12794602.659235928 8615701.67656908 PE O-15:1/18:1 132494218.65739547 108287115.46815877 267566721.19219485 55800544.62965335 99992790.3394837 61061498.24425445 193179.93457296034 2132.126040729507 3493.686351842203 660.1373299774367 2582.921880623001 3780.548021800229 2221.178344741896 248278.4434616711 1016.4325313370614 204.73586754284332 47884.264516901705 1470.9659784018108 131542.0222116441 27.570323001205693 3286.778459490727 200276.78601843916 PE O-16:1/18:2 582275520.7312282 310070088.19066584 483911457.9937178 249217229.07096505 436985605.2688183 243119518.12062567 211006502.00553697 71457996.33708341 124427854.01804808 104547106.06237082 26603762.249882404 58834863.956809126 140147151.54080945 113784728.77484286 39899046.21214611 29206053.796780426 12402597.99016625 19668976.712257195 22647239.36329187 24233946.73023937 61837874.066438325 24960716.47723024 PE O-16:1/22:5 746106147.4596252 817852350.0170975 778142311.1797668 651277793.3046682 625320786.110717 371795962.66538614 458859830.7910793 147575440.47220698 223651032.97378424 250138912.09267554 47524205.88570251 134585257.82058576 282132127.83842576 3026.5014046466945 93191855.55454776 95802361.79116729 20723339.530088533 23616130.975299213 34813257.401701145 48411271.58086221 145194321.69745767 41291706.096941724 PE O-16:1/22:6 2172381584.427303 2272543897.085478 2415087024.0155544 1753139805.7931051 1993591391.319114 869804004.4149716 590923003.6847471 213371091.9878847 337619823.7553967 251372402.24283823 93574702.62154545 197026259.1481736 363531052.9429879 684267816.182556 159526921.61839387 217685834.4497221 37641283.83807301 37045737.84687525 54550539.91881832 91533689.78290193 219382997.2471906 66741840.350985795 PE O-16:2/22:6 495023147.54994446 458640074.12081015 385789433.89287776 358950730.7379431 373973808.74736214 187111358.1913198 1520142.1100208273 459907.90289720864 1391840.8828004412 389645.8782816007 2429.114655758778 167705.3739308598 732346.6950793235 22956971.379209217 450149.24357494345 774973.4316345657 491.4343729832512 3180.1735520513757 448389.6846542389 30.576357060335813 482589.8977148443 2274.244360880182 PE O-18:1/20:4 355150620.2838043 443034634.4028335 364759934.3011454 461593434.72048163 294288045.52997994 175787995.23783833 669764266.016516 149627847.15695187 214984319.42218408 247683465.02819338 44254739.34616785 92588147.27681504 272729340.09969914 2055147287.08735 88875650.5382519 193479274.7986482 12472872.008196283 19745060.024060052 24688755.999491826 46861266.34575555 94050400.97408786 26535904.21375118 PE O-18:2/20:4 812755010.2784852 901166502.7342923 876042115.5120891 568815548.194833 737559713.0169544 387019854.7404592 488099127.2855662 153659462.40555993 235124251.20433232 259968001.144983 49029861.83955417 136876703.65562224 294951429.8481706 1218621579.571241 96821828.60240145 153429522.97828662 20902140.677761488 24045715.258346245 35485617.10877798 48832812.01224391 149769237.66456926 42475679.07828754 PE O-18:3/22:6 21421592.072202798 23889510.440620165 20111588.964487214 14280654.580442809 16987383.72956379 5618763.378649136 14671335.18976801 5275829.01782421 8993454.92036512 6991456.188051158 1020674.4069338084 3189629.931573499 7387263.324886632 24551975.549544375 4022391.618230138 3783994.713520316 315770.74610565684 226600.66520114447 711826.7063101506 844659.0454445424 5833877.63134477 1391759.5017541226 PI 16:0/20:4 327956960.2788707 234062381.08815724 558654896.0269105 148301172.1391014 765568345.4719478 131210298.18453051 25233845.80010321 849260.1523085673 4181832.57693475 10571847.314917337 106.83211889039744 497940.89786617516 4191338.486079747 63856567.13703034 3881.791472196937 347526.2855185108 3271.9418927154134 1560.1723862044328 184890.52614766575 372.5847860725502 126127.10410095901 1520336.0384645327 PS 18:0/20:3 67611888.26414798 85569950.5254385 73598930.3929868 84329702.9338695 43154335.62736347 29064494.735669713 49020450.52283744 6679645.859229821 6263718.184777628 24971817.954601474 80205.30084735731 7046481.158288071 23444968.994295552 42019674.720635146 1412.1447939975255 48521.68702563634 436.47824000938186 131427.30524755325 555559.0722672158 1792.1235009072668 438473.0919566918 2703528.894777916 PS 19:2/19:2 163008524.50462627 176998904.81479818 139387995.5719132 197461414.05341992 144373446.94579342 61553676.0175213 344506581.03046995 47180653.68795477 39777596.07230071 136710624.4515827 5801161.853282534 40727121.613837704 153818582.15942982 384463757.8524894 1778323.0907969715 2599055.3363406016 210646.15297907207 3873831.9686037404 6581351.925721117 291.1312174559846 3539188.761230447 18721438.04064889 SM 8:0;2O/26:0 216690785.8216794 267490661.17469802 156819630.78073335 225150820.621023 182736052.2454759 113498463.19470984 279027860.125364 53574623.17666294 75691751.78903966 86944236.41969687 11710988.243321983 28715949.466791775 132151101.77615951 106121363.26153556 20205407.667762704 24363002.583016917 3706139.923347764 8311568.064099818 9737283.817662774 5147808.759883598 40500753.729319856 11048645.580778584 SM 8:1;2O/24:0 22332908.808813587 22090667.535663053 33164812.896467414 20795725.38187722 22379560.76686345 13719666.481096394 10132127.874844518 2264004.28753476 3077425.8156630793 2946839.16522035 410584.23993979977 899606.2448379907 5618921.4415976405 34398244.84797354 1550944.7682203753 4221319.638309695 151411.77567735795 517586.7135096627 478239.78827566595 1545.4879237357702 1759016.7113857009 689863.8921899294 SM 8:1;2O/26:0 2452695321.276551 2792107910.1553035 2129140736.4574864 2436749089.409224 1809492596.9996774 1249265548.1580663 4498652117.682945 954335151.3733842 1219411790.1788225 1131894068.476988 161994283.50749835 410655203.2560373 3038765944.9895024 3302901357.36509 303952036.0224543 352343913.73370504 51154553.085436575 104690806.62351273 142083508.28780457 81792472.7051029 534790612.75381243 171178802.28471237 SM 8:1;2O/26:1 22373894.186480127 27793360.90127856 19576922.002576154 25158820.45719848 16740922.97470263 16720161.759832589 41212957.77689564 15298377.574247677 20728832.16380262 18885787.25031212 2325360.477779834 9744392.049358658 29113563.28402738 75757620.14381646 9160537.865849273 18421254.698307365 1333189.67118778 3056911.603581311 2653402.0341193518 1230040.3103675907 9551050.669100387 5639762.950105585 SM 8:1;2O/28:0 197503162.95780176 212999258.67259952 118331040.0264921 150078849.8979284 143272467.44934046 86860587.65150882 683027059.7784348 126395719.9838267 141356277.42331752 104650529.42467 31557847.028861653 75503556.1115341 297349473.3144444 433619290.1280112 50096677.57082055 60970404.16697543 15220450.952209864 21452791.737720072 28259506.550467703 19680831.867545918 72873140.19133441 35773917.052220345 SM 8:1;2O/30:0 82009737.6769465 79209437.53337254 56703275.9749476 67076849.5605388 46430640.55276329 3565271.093082331 305734529.32762337 113881616.62988572 116411186.28015725 64885517.23061809 28609635.306566503 66905020.82004657 236052870.38952243 170457150.78168526 48281942.69877932 53171702.91217147 14226044.8903397 22297366.17838898 26877652.864059933 20163628.391627055 73388894.5999768 25232597.657688953 SM 8:1;2O/32:0 523958211.47952676 465988166.93149185 390314358.611749 470403296.32364666 357735589.96929955 267198137.11834097 1760420114.6226785 519016534.19956297 621262804.5135032 415087626.2708323 101678829.27906902 278655662.36927783 1166943487.2683141 893256614.2020503 217401016.96974638 214837545.3386842 67652630.50685811 101759556.11966622 110602441.64850494 62859737.011954814 333480342.5945345 124379264.93120335 SM 8:1;2O/32:1 26252915.00668378 19286157.638758413 17404951.168828603 13616675.207100814 13212491.125464153 20637354.690024696 108659089.79215372 50339827.077737354 62843824.01055958 41981123.47258897 13457296.815921644 46832155.7546094 80482176.55671892 117680407.99604511 32022290.82300118 32855948.887298126 5430178.909601065 6708443.179594872 8349382.62011532 4817761.538536324 34544740.43078379 21231148.28969686 SM 8:1;2O/33:0 128350225.15941723 112887010.87580387 97282240.01580559 116319705.11022843 78966527.03177527 75524546.06134866 634460013.3049225 245832924.1910144 283048308.41795504 147815458.39253905 61646182.10584325 141130260.5061336 435987323.9228136 253615496.54539442 96411308.41837263 87907694.74828969 34899650.756450415 48284909.05697449 65346287.39007444 30544594.920983426 185130544.86908633 59022152.91699011 SM 8:1;2O/34:0 487060641.5825386 401067532.8355919 297210974.8523241 399320048.10639226 252588791.9261994 286030694.6877174 923873328.8795778 295919637.6930944 334747533.40346175 192599041.97986713 62448545.98359941 151041640.6236247 492833689.6678417 563616697.0955622 125079576.900264 139870116.5241792 37524873.51410884 56169561.1422891 63644184.58642526 40516824.35844699 204307088.27413025 62297651.80509266 SM 8:1;2O/34:1 1147531723.3290217 1443126747.3940804 934868395.9741727 1233012338.941683 761075512.3444488 570601735.2156545 2607644935.901221 683962490.922571 850320460.7320777 921380706.0628515 129572343.99242975 344555856.4974369 1379378221.9816632 1102015517.3894722 288847942.1766643 304577436.93629974 87804652.57353552 118520985.00027648 144646700.761547 94721182.56285709 579818946.3543581 211822821.40559417 SM 8:1;2O/34:2 196977725.7117505 290286048.5355143 158706874.62232995 277152276.0696699 149434882.63715085 97368992.37036557 282417690.8394224 93751478.03760873 142348756.26217762 166482709.8596761 20717998.52541626 61495443.48012563 167458429.46107876 234845572.76028457 61590069.67486718 55748327.5764888 9225836.362253215 14890869.262051223 16159688.995835198 13162805.399907904 95189817.46422343 45676828.20454313 SM 9:1;2O/32:1 326299383.70643514 306284324.48410594 527228385.12277454 113345989.69846278 356372690.6040238 129365041.2304039 130978246.18642606 53278652.13768864 67359575.81604855 47020300.076800756 19624177.208564892 58363945.55494383 101195803.80150814 62910254.753765486 27169035.676269922 25348925.56774726 7442815.929505263 10652375.542801632 14822192.8506644 9870215.117858622 40128544.370925404 21642766.602180954 Cer 18:1 18:0 36197568.776989944 32233499.796405673 22342747.451282766 32386035.458446242 27169374.4173632 15830204.58374247 62561733.53336243 17574764.06902329 13181343.825903216 15120559.128246078 7379508.289415001 9315003.616108563 44578581.80324896 102125001.91933182 8185594.350782136 9731117.948088355 6930261.283899417 6353430.289378738 8139541.462504236 9123542.226864152 12179442.064202165 5990918.981289203 Cer 18:1 20:0 23930718.471213195 25295352.12918299 15545426.650041161 23252337.0521305 6364559.125666233 10867859.834882062 34517137.88623969 11529642.641866833 8112875.137481207 7730456.370131455 4142453.417241092 8132337.494610417 32352164.668151394 41489205.47627354 6374128.127498411 5895000.826095426 4556806.417647199 5218177.428704579 6101865.403398888 5317134.346526005 8774083.503707686 6290455.722697611 DG 30:1 2483174.7735101036 2242.3030475039864 460.7396636383148 555873.9879880294 946032.6369970426 237.27929056108343 4033330.3106166497 5540040.054394802 6653261.465601389 8607376.995738564 1162904.0095746752 1309689.0242040511 2607004.450974286 10345520.042074893 1433879.2404181056 1312455.3516677758 476192.0199636233 644487.814457341 1221826.3713947407 640154.3928036948 3086878.7020775173 15263821.673081195 DG 30:2 6011845.380794058 4202789.6929979855 3076.7133704820467 3925912.5481681274 2628989.6465298287 10970403.4224455 16780752.630695816 14214805.504508696 16943761.648735538 26024108.711618792 3172542.0689964136 3791863.0483042314 9678725.373718178 28488562.32228083 4252898.151441844 4033398.7355096634 1869903.22954105 2448875.272757593 3161359.190622767 2305545.096800723 6515354.8204156775 26638847.39978786 DG 33:1 295941.1837525868 3249.303252716416 673.3030734137368 2947.536790636787 244779.37199699398 1818.5154056073459 9474815.794164812 10831718.211980427 13179229.70289899 14033450.033692732 1683365.5590538268 3309046.781198413 5365220.933504337 25972378.136229374 2886109.051062951 2175493.7305460833 1882966.1176644382 2114093.9526645127 2867368.3316393783 1331411.4458170938 10372623.628242703 29209001.921547 DG 33:4 43733110.15097912 32819883.214618962 10080552.375232732 22375335.188786253 27347583.41805156 46550287.61196706 26703833.50417491 15268100.520142958 14619274.230093317 10731163.794229649 2042019.4564979542 926855.2992486377 18768284.878151778 6921113.009922594 651546.4088709927 1130488.1742735752 681375.8333701941 2084129.3118739594 1636531.8629575747 940438.0893697278 1924563.1995851463 10387206.754241725 DG 34:5 6157781.5719965305 2786066.013406583 1375133.9081990158 6264609.896684144 1312238.5255679062 4508007.88287543 8397394.07150745 7729539.828935764 8396041.889068205 11449949.592448346 2151427.63923922 2446554.774121778 4518616.924619568 10178293.2406487 1976949.1518894313 4260254.982364349 1763022.0334959067 2100981.1623556707 1850443.3151705132 1470102.0726596748 4411633.103704816 20014097.45467322 DG 35:2 2666948.5564341582 318.60540118196604 1923744.959409746 1916.7298741445031 4004498.81764534 2442874.5566847534 28638877.09861447 26217597.665206075 34151267.48548164 33512613.87180895 4442542.605010485 8448842.834677821 13945628.555827016 72370658.94594544 4836690.060737481 4292435.929826364 4146531.494792558 4431548.140079688 4609739.817982237 1628891.4238233676 19235148.08977678 55019629.73173786 DG 35:3 3032.4438119700267 8389939.785312086 4764648.601701017 8941008.58590106 1487833.533925592 10009147.331701098 42376060.78468011 36909704.227269284 45995517.05145449 61410529.716655746 11321352.234077398 14939786.009694234 19206473.924805935 113265386.15349562 10488500.966476867 16069163.444125248 8517381.098949911 9795843.473458571 9963475.061258351 7181832.832164412 34124264.27506279 109670981.70944321 DG 36:4 794434402.6561432 257011889.75371268 36906942.637742 218080877.29040685 549473129.559682 1085130936.6236763 17223961491.532303 12952860989.326849 15134828895.242277 24012952384.517807 2416928411.239539 4577777920.650496 6219807345.633848 22577912412.6264 2352144047.656198 4706394744.307412 2474428410.0965023 2824670750.347139 2535140358.175514 1440109012.2192605 7532671615.241344 40857155302.69748 DG 36:6 30009029.917706896 15529838.981113888 31112143.694187276 14530056.893654857 12573867.340738276 1152633.7737628617 10669634.85205359 6412542.059231796 8107198.101866108 15035806.230693456 3029201.192020496 3501211.4784752456 2280157.6715774373 15345199.853075424 5106569.058251802 11174655.289381998 4630081.488818175 4317876.206003647 4496950.760296069 3371334.3918222613 7623646.40230364 66837216.17916971 DG 36:7 23602390.54347888 20309011.01377867 26483823.66379037 21812611.82847054 36941937.64705355 22408849.282847103 665.5231238127878 3507.484010591486 2372.9268689008336 2584.0314455161974 3162.0439308272307 106.34332830080336 4135.96719332306 2160.2614550946305 3673.138786838676 498.9932346569739 674.2797526425941 3902.195729261066 920.0228351819876 163.7581173118349 3178.9138108738603 614.3398863823627 DG 38:7 24632202.54374223 17276941.70915973 11606875.594883375 25774241.491485883 15579671.3735055 25421449.481650554 9461530.771586485 5762430.582697476 5198532.619673776 16409618.29921554 2620118.110025788 2237513.1683235457 4661099.17670395 12218948.324247928 3381831.434625081 9432310.33174211 3723554.177485265 3015196.6382480124 2921204.7074806527 2126811.8800510075 5024249.779727433 93483516.23769382 DG 42:8 1181692.1465625013 1401639.9611097402 48011339.885201015 1645529.039500477 1166900.627225801 1880926.9593063744 7921711.853893996 6237286.84607957 6028956.999777318 15888018.579345161 1444119.7506359906 3020924.976427713 3888627.425903052 11570331.07077919 316426.5634240697 1169820.863656592 1721582.6447625926 1539284.3614999535 1409154.1271950358 417772.10574526986 1351906.4628850217 16836709.445129663 LPC 17:0 10079627.482293494 9918817.73453185 16519886.538959261 7838629.043867578 12698457.179504478 4518740.1538443295 6995085.076170517 1596405.0264496405 3087440.130616941 1721175.7112916342 166553.632348338 153664.85663961337 4878557.14491405 2211019.595932522 317545.66555763484 709485.7412065386 1957.5887688672785 96208.0659516417 117476.24840475242 1121.4091245258285 535644.6507064604 192511.55627345812 LPC 22:5 11149491.785096534 8815012.67061881 8520723.393561997 5702965.174238968 22362322.60558868 4041615.686437903 885651.5731266672 188991.6506250228 153000.54299645385 1786428.4550286762 2857.451175252646 2689.6397884240705 249367.50768923052 3612994.0587602505 35404.63837270672 1150741.5102677457 119760.9996307285 3779.388738623042 1664.3884283470145 106526.16288210562 45361.595749402426 121843.39500798508 LPE 22:2 38469073.94664816 30616935.751971956 34341046.80749411 13951996.442337526 71535398.42412892 16987464.252896592 198.62723651126032 3816.552947750635 24126.329228973504 60996.76469121046 58892.83343366453 162484.27710633771 27430.931313677378 812.5452032353528 34066.98271264534 115617.61857434812 49611.79538259258 128666.55972842168 36778.588575926 2666.7757649959462 42633.17845254794 381850.16866716713 PC 28:0 47705598.26923379 44798910.9724738 102429521.32406147 26506538.373973995 96038872.07676037 28360648.50636241 812471.4485685548 118823.10048959879 560387.0507543654 571166.1328540071 2014.8977567069992 2295.659321821766 157681.73793803094 8008925.3542633 76953.71162169633 2509242.4766592253 550.7387094082094 737.9588598065451 1897.9888498642142 804.7697323359604 1521.1591141051 147233.95970473747 PC 29:0 15994720.840184022 16570555.87691609 35832414.78586246 14988466.841164239 21852031.703749727 9109124.962164123 311851.20913927443 615.615338926859 81261.54589033798 87439.81773207651 1284.5731640931442 2378.803719343094 69103.70990769033 499761.4408270452 3093.8922439170888 330868.29441338993 27.612124007984058 677.6010477079253 2594.3209094950516 439.8193871843891 1367.8954761313073 695.7779374255996 PC 31:2 27325427.498177983 27456638.28479169 61438002.128958166 5536486.957577157 80473504.43562196 33736303.88547941 1329.9456625252542 34.32298058577659 4651337.922116959 2808766.283065447 3416939.1632621954 1509.0484110768907 8922942.372559188 2548.549565985205 3100.627213342414 2310.5604253895294 129373.18234150962 2574.6756651102532 1320.5383039777475 1337.5287950439867 1539.8276116718669 314.3265099618708 PC 33:5 39424159.52770363 28778323.323517337 44313444.4376011 14013727.743179275 25120623.01455206 7833650.414560054 8.135573599476984 213416.29958341861 104605.46017141051 462933.980395697 3415.841788250898 380.7528802223488 258.0975081743296 66614.59045205369 1150.5572158481327 706573.2289302544 385.38736565918055 172744.58391178682 61531.58649978665 2344.1145213454934 439.93105234821405 1435.0472820294758 PC 39:4 30880340.18071898 44791202.799949214 26187059.865321603 49483483.53203872 37874900.29002402 19601522.219243776 34330538.98833404 9489441.14708013 16078873.42518786 12643460.85626871 2052164.2995877943 6411941.470079179 20039673.71641219 27994064.336233813 4394305.988125917 3829515.0435737567 696910.8538567565 1235976.997370982 586792.3806368562 210673.94720931427 9206660.245489568 2280710.745732938 PC 40:2 64734305.21956671 99733361.07015419 60466091.91832395 222903247.86096618 35023597.37744846 26194996.602405142 7353906.834971553 1471972.734281619 3834332.425623955 2005986.1671389346 3184.5570895914775 2566.984209751377 3759028.572608124 5775849.5839602295 2495454.7092572446 647483.9641256074 570.7445700062642 346.69561562249197 3128.8010071703084 3213.817664355006 577697.7282931204 316115.0297437372 PC 42:3 49785627.98864879 66252469.27753433 44481451.881064996 98954545.46086743 31995716.45809137 19389305.668897603 4949847.013051215 660778.2440200063 2068339.9255303952 885386.899757456 770.4310097608441 1181.4860985347807 2543086.3351256945 1590843.7615018673 2992.017700193755 158.07132812976823 1418.8344145483675 2456.239630082647 3666.5957614250992 2844.044762944136 3050.831615826001 3663.390249989446 PC 42:4 53912402.32169846 90541877.89112818 43257968.40762442 164723576.03690207 31453033.542310487 35040266.198825866 3566635.0694313035 2438.082597995914 2878.604382894653 907.5110850019463 3703.097214099566 909.1781739913217 613.2662911605927 6439199.084477391 385242.89558536356 105.31645913491558 1671.4741609648377 2201.236684918349 3693.472474425592 664.4374770892742 2548.1345409904898 3743.1048808060896 PC 44:12 23190284.88992958 33409972.802637704 47419931.653847374 8453074.252644679 40685111.70774049 8432221.563951753 1348300.208327791 117795.2357212035 242644.30331205958 1683120.3355430127 1836.2333300781095 3193.601518980125 95750.6743767005 15423566.377163716 110433.81733678396 538773.8297658729 446.3373145432449 1189.663038260895 2528.3325601920533 496.8981597557652 171400.0485183786 40734.03723278108 PC O 36:1 44267208.28473234 51679543.698116034 44925709.23727925 32743416.179353647 34429727.8146795 15823782.513177611 26157485.13131941 3876937.200002167 9256904.169265335 24408336.165231667 1614.552107453261 3211745.1638547992 17015556.014506873 33271464.358335655 1028568.6249254863 2930192.302156887 1534122.3298916884 946011.3536454405 298774.0398512889 642811.8795120255 2939938.9588316516 3802374.267192137 PC O 36:2 18555569.034678154 49267572.20800181 24627398.176826145 19772610.057657808 14857496.061015887 200941.37467572407 56012012.10126436 9531795.07361964 29587034.552950546 56359835.30224156 1029703.4394927104 7176127.30778537 1217624.2283947421 23085654.008980207 4529828.084689118 4550937.47012829 872466.1744629226 3051138.914621972 1795965.9292216534 3475986.7548842947 6729369.625903104 7838216.4019579245 PC O 38:6 76467193.93836708 2392940.844682908 546764.7192525625 1474.4632005121364 2011142.9474277636 766.2125531026683 40476403.50681257 8614370.569002956 19263103.12210955 15576796.83841616 616646.1256524725 153550.6581494701 17331313.37355635 308304010.01179343 1994066.0541270573 11075963.838507064 148261.63536416402 98337.91799561247 235950.252204038 149394.02371789925 9227034.824980155 222358.73026490863 PE 30:3 7143575.3460029205 5832398.4945335975 18470972.027899466 823343.678085406 15127617.535733294 2030665.5478546964 1002.8644006324032 807.1252487628826 2079.52950847848 2055.6515242349697 3010.7057415937893 1593.2184510625696 935.9653110097563 4022.692906644403 315272.8853217907 2417.242088929772 3046.423518007655 1691.3559946292744 772.761627875347 907.3370677701831 3790.5041084047843 2984.1741762537895 PE O 30:2 475247554.27489835 323302064.9907413 649931497.5560989 217437177.1601598 552391212.2277141 258915161.6117575 354104.85183956526 3082.5622659428304 1137206.7922136951 663240.4324686084 3114.1362129779104 1278.120848609725 2386.3545510887307 1459291.7017326544 426.5249735896126 827125.4306574715 123218.71857860018 102220.31334419969 269029.9981002205 2360.8343665910825 138584.87325507155 4032176.627648569 PS 40:5 33227301.92076943 47765107.089887716 32861782.70005009 49497800.04362203 20143787.613807295 16027016.62824355 44770416.501763076 6408287.385689351 4069448.701921988 15779844.992747063 2345.0046655753818 6586613.846128382 30632814.46932173 33186908.53228659 242.364140502226 1036.3593036625757 2074.138812052277 3255.8799886551515 224973.29787442944 2986.8617517932757 1732.438264498321 1151104.1104729031 SM 33:1 45093328.24029925 66964772.212966494 57936786.045714304 66731230.601656295 39275328.09119168 28483463.918075312 33352282.152126312 7432408.836988149 10055774.681801861 10211744.57168982 535745.8237656606 3557210.390394664 21134487.103098996 15172168.46890384 2502324.752597515 3037317.626391366 326643.8391936574 2014376.9906604278 1397452.4118145902 3566.071372922609 5085520.466379984 1498879.9483674604 SM 35:1 19639945.754734546 22493634.544477727 751180.851517134 23976600.423778426 7186872.6856502285 5535913.938335316 41335272.08240206 7827075.401127013 11309978.80600436 7315605.230501789 645509.089166107 3108725.5887562153 21304956.731346488 28832083.9334193 2740181.6665179087 3022521.0675556334 459144.48434707953 903362.1073730912 1634727.884930867 2682.710925505395 5318535.107324772 1360067.4473651545 SM 38:2 2714933.418361902 3677461.8942318107 1399.4058592530578 2532.7073203607606 2521.496662790088 1260.9904685880283 53978983.815050766 16974154.155626412 21227348.98965624 13775426.34008142 1615675.2326991425 12693737.926825827 39163331.3236053 36859555.01671611 10427297.62732365 11574738.204034185 1991255.278147264 3820283.9557841667 4264223.815674637 2498.5465158335655 12111727.609471632 7642882.838672652 SM 40:0 48311312.76080528 32844749.455708943 16852105.863201246 56490488.905540235 17143196.532369126 22941498.410005365 43084054.21815346 6124367.650572888 9423259.000151983 6861281.746135726 1245093.8453234376 5466291.175266091 15757876.441056943 16056922.224074481 1356241.6501892754 1970447.7660220906 421711.862174709 1013343.4179030131 785636.8602384771 2641.62146349866 5620838.78008889 1310405.9606635312 9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester 2069355.270072696 944855.6041098679 721751.0984321458 1712947.0627878064 2196282.2391475844 2324132.293254798 36599699.04189192 4186598.1952600824 8446314.425137162 16125868.217253776 6110429.49187647 3143141.099627475 6098017.636999652 22482651.87778821 6925161.003290456 24308969.755927913 6646730.742453541 18818049.755803816 11830590.572717655 6920618.394435933 9959304.969885018 52418164.98485654 Ketamine 8634086780.529488 1659482451.8597622 2839199574.8261924 8748527297.5165 10774266827.49063 8132579266.748404 7870619957.527033 43768491270.8307 4912465508.631612 9523652270.101175 38349915304.382355 41548754126.96584 17460030450.977978 54615834730.323364 2371629517.7458653 29038452419.978405 38151658021.17861 43959700994.8672 46027611014.482 39511526166.84876 1672108348.0583947 28202049737.954136 Palmitoyl ethanolamide 10490015.95986575 15273915.761510547 49516823.19680392 19035251.44459457 14033191.288137715 5567847.964232566 4006849.3286733166 2587288.7184437965 3099053.4908781885 3747974.544551672 2854696.848549926 3299472.0909804436 3251575.830490848 4072960.0201767613 3607199.1664305674 4881714.860145721 2149721.8076250134 2612714.720553905 3330977.2108162045 4465763.586305425 3831872.754786104 4408630.698409168 SPB 18:0;2O 181554105.93503734 162978080.34940472 47294091.73603072 231970735.3415913 35899214.30071992 82149046.13130973 4801923.763658613 804213.7202118933 3008834.4157671477 3402299.749223876 941.2970659800978 114591.23637466093 540461.2744765284 1552998.3518323281 248080.42954629663 383548.19034652953 2061.8260538861477 2995.587787504365 4139.233205918779 2365.3635402246978 842623.1072381366 814381.3553043075 SPB 18:1;2O 302626089.83105785 249367691.71377844 125300246.07332103 307321059.8063553 85692930.88816495 122168088.69452909 8019957.595347378 1507046.5611113037 4075872.747255754 2638028.9092475744 2220421.0568821253 825959.8387615439 2544829.6327845952 8351103.470270717 496616.90042736946 857692.2371414936 1145869.233197842 2766509.1923264917 236608.10452618127 88006.80345853865 1190522.3308100956 622583.0161643624 Stearoyl ethanolamide 7125241.458153476 12123018.800857682 16784835.478676427 19522727.87287062 5563348.975631527 2977573.1829733844 2435117.338208838 2068498.7566216995 1745069.123398551 2234120.870475916 1805911.9598212224 2449927.888703601 2868898.6956450082 3814436.679527598 2076122.100929843 3462719.5457178983 1885299.2062615955 2216504.412056285 2965568.1746510756 2927771.846614371 1902748.528953694 1711081.664506294 Xylazine 710094642.5614518 187616325.1542327 323359110.43214506 841749846.8464441 846654109.3726634 323708147.87193376 302080106.28479475 7906089916.003086 503313727.0577492 382665737.4993849 1530501157.3662736 3240667883.445579 844563357.918845 6783271038.7066355 81081671.33631991 877251894.7893205 633005429.2042121 1059510324.8829812 652598569.9189281 325609629.0643853 10885370.150866427 4189048845.4451427 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Neutral_masses Retention_time Cer 18:1;2O/16:0 537.51207 9.723 Cer 18:1;2O/24:0;(3OH) 665.63232 14.337 Cer 18:1;2O/24:1 647.62193 14.394 Cer 18:1;2O/24:1;(2OH) 709.62211 14.097 DG 14:0/18:2 564.47552 10.028 DG 16:0/18:2 592.50654 13.159 DG 16:1/18:2 607.51766 10.362 DG 16:2/18:2 588.4755 8.511 DG 18:1/18:1 620.53789 13.799 DG 18:1/18:2 618.52223 13.256 DG 18:2/18:3 614.4911 9.005 LPC 16:0-SN1 495.33233 1.352 LPC 16:1-SN1 493.31682 1.056 LPC 18:0-SN1 523.36365 1.924 LPC 18:3-SN1 517.31677 0.951 LPC 20:4-SN1 543.33237 1.055 LPC 22:6-SN1 567.33247 1.008 LPE 20:4 501.28555 1.095 LPE O-16:1 437.29057 1.619 PC 15:0/15:1 703.5152 5.414 PC 16:0/16:0 733.56195 9.178 PC 16:0/16:1 731.5462 7.139 PC 16:0/17:1 745.56231 8.22 PC 16:0/17:2 743.5463 6.625 PC 16:1/16:1 729.53064 5.631 PC 17:0/17:0 761.59358 12.243 PC 17:0/17:1 759.57742 9.44 PC 17:0/18:1 773.59356 10.931 PC 17:0/18:2 771.57792 8.917 PC 17:0/18:4 767.54621 6.333 PC 17:1/17:1 757.56189 7.662 PC 17:1/17:2 755.54633 6.592 PC 17:2/17:2 753.53114 5.585 PC 18:0/18:0 789.62472 13.647 PC 18:0/18:1 787.60894 12.616 PC 18:0/19:1 801.62381 13.389 PC 18:0/19:2 799.60907 11.827 PC 18:0/20:5 807.57761 8.216 PC 18:1/18:1 785.59324 10.243 PC 18:1/18:2 783.57763 8.216 PC 18:1/20:5 805.56198 6.807 PC 18:2/18:2 781.56189 7.332 PC 18:2/19:2 795.57774 8.466 PC 18:3/18:3 777.53081 5.177 PC 19:0/19:1 815.6403 13.698 PC 19:1/19:2 811.60899 11.021 PC 19:2/18:4 791.5464 5.913 PC 19:2/19:2 809.59318 9.816 PC 20:2/20:2 837.62493 11.948 PC 20:2/20:3 835.60912 9.892 PC 20:3/20:3 833.59323 9.107 PC 20:3/20:4 831.57768 6.926 PC 20:4/20:4 829.56194 5.732 PC 20:4/22:6 853.56193 5.383 PC 21:0/21:1 871.70319 14.718 PC 21:1/21:1 869.68758 14.364 PC O-18:2 519.33238 1.099 PC O-30:0 691.5518 8.111 PC O-32:0 719.58274 10.918 PC O-32:1 717.56709 8.425 PC O-34:1 745.59812 11.229 PC O-34:2 743.58263 9.109 PC O-34:6 735.52032 5.189 PC O-36:3 769.59812 9.301 PC O-36:4 767.58308 8.753 PC O-36:5 765.56744 8.263 PC O-37:7 775.55178 6.611 PC O-38:4 795.61432 11.658 PC O-38:5_1 793.59855 8.914 PC O-38:5_2 793.59871 9.77 PE 17:0/20:4 753.53055 9.124 PE 18:1/18:1 743.54606 10.504 PE 18:1/18:2 741.53073 8.529 PE 18:1/20:5 763.51512 7.376 PE 19:2/19:2 767.54629 10.556 PE 20:3/20:3 791.54631 9.842 PE 20:3/20:4 789.5302 7.562 PE O-13:1/20:4 681.47342 5.826 PE O-14:1/20:4 695.48899 6.687 PE O-15:1/18:1 687.5203 10.133 PE O-16:1/18:2 699.52023 9.43 PE O-16:1/22:5 749.53578 9.085 PE O-16:1/22:6 747.52033 8.306 PE O-16:2/22:6 745.50487 6.607 PE O-18:1/20:4 751.55149 12.039 PE O-18:2/20:4 749.53582 9.275 PE O-18:3/22:6 771.52002 6.9 PI 16:0/20:4 858.52566 5.517 PS 18:0/20:3 813.55177 8.51 PS 19:2/19:2 811.53624 7.634 SM 8:0;2O/26:0 704.58377 7.559 SM 8:1;2O/24:0 674.53644 5.122 SM 8:1;2O/26:0 702.56738 6.742 SM 8:1;2O/26:1 700.55216 5.353 SM 8:1;2O/28:0 730.59888 9.092 SM 8:1;2O/30:0 758.63019 12.136 SM 8:1;2O/32:0 786.66126 13.659 SM 8:1;2O/32:1 784.64642 12.682 SM 8:1;2O/33:0 800.67705 13.968 SM 8:1;2O/34:0 814.69265 14.241 SM 8:1;2O/34:1 812.67704 13.628 SM 8:1;2O/34:2 810.66146 12.633 SM 9:1;2O/32:1 798.6614 13.434 Cer 18:1 18:0 565.54357 13.047 Cer 18:1 20:0 593.57503 13.85 DG 30:1 555.48641 9.444 DG 30:2 553.47078 7.483 DG 33:1 597.53348 13.402 DG 33:4 591.48657 7.07 DG 34:5 603.48644 7.01 DG 35:2 623.54913 13.562 DG 35:3 621.53352 11.98 DG 36:4 616.50653 10.994 DG 36:6 629.50252 7.367 DG 36:7 627.48654 5.138 DG 38:7 655.51789 8.478 DG 42:8 709.56483 11.505 LPC 17:0 509.34814 1.603 LPC 22:5 569.34828 1.177 LPE 22:2 533.34809 2.557 PC 28:0 677.49976 5.213 PC 29:0 691.51542 5.962 PC 31:2 715.51503 4.998 PC 33:5 737.49944 3.967 PC 39:4 823.60932 11.338 PC 40:2 841.65579 13.851 PC 42:3 867.67253 13.799 PC 42:4 865.65616 13.747 PC 44:12 877.56231 5.043 PC O 36:1 773.62903 13.479 PC O 36:2 771.61399 12.183 PC O 38:6 791.58327 8.563 PE 30:3 657.43711 2.743 PE O 30:2 645.47332 6.621 PS 40:5 837.55196 7.72 SM 33:1 688.55264 5.866 SM 35:1 716.583 7.883 SM 38:2 756.61442 9.534 SM 40:0 788.6768 13.869 9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester 292.2402 1.328 Ketamine 237.09186 0.632 Palmitoyl ethanolamide 299.28239 1.843 SPB 18:0;2O 301.29804 1.354 SPB 18:1;2O 299.28238 1.237 Stearoyl ethanolamide 327.31375 2.705 Xylazine 220.10336 0.611 METABOLITES_END #END