#METABOLOMICS WORKBENCH Lxu_20240905_045148 DATATRACK_ID:5173 STUDY_ID:ST003468 ANALYSIS_ID:AN005701 PROJECT_ID:PR002122 VERSION 1 CREATED_ON September 5, 2024, 7:52 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 spleen to support understanding of early metabolic shift in ST:STUDY_TITLE presymptomatic sepsis patients. (Part13 mice spleen 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 spleen from mice model revealed early septic biomarkers in ST:STUDY_SUMMARY spleen. 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_0204 SA020971 Sample source:Spleen | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-015-SA020971_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-015-SA020971_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0196 SA020918 Sample source:Spleen | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-029-SA020918_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-029-SA020918_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0273 SA021020 Sample source:Spleen | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-019-SA021020_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-019-SA021020_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0199 SA020936 Sample source:Spleen | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-014-SA020936_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-014-SA020936_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0193 SA020904 Sample source:Spleen | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-024-SA020904_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-024-SA020904_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0198 SA020930 Sample source:Spleen | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-026-SA020930_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-026-SA020930_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0189 SA020883 Sample source:Spleen | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-013-SA020883_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-013-SA020883_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0197 SA020925 Sample source:Spleen | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-028-SA020925_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-028-SA020925_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0268 SA020985 Sample source:Spleen | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-033-SA020985_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-033-SA020985_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0271 SA021006 Sample source:Spleen | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-025-SA021006_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-025-SA021006_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0267 SA020978 Sample source:Spleen | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-018-SA020978_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-018-SA020978_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0200 SA020943 Sample source:Spleen | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-017-SA020943_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-017-SA020943_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0194 SA020911 Sample source:Spleen | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-031-SA020911_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-031-SA020911_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0202 SA020957 Sample source:Spleen | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-021-SA020957_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-021-SA020957_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0272 SA021013 Sample source:Spleen | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-011-SA021013_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-011-SA021013_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0270 SA020999 Sample source:Spleen | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-020-SA020999_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-020-SA020999_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0201 SA020950 Sample source:Spleen | Group:Sham / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-012-SA020950_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-012-SA020950_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0203 SA020964 Sample source:Spleen | Group:Sham / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-027-SA020964_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-027-SA020964_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0269 SA020992 Sample source:Spleen | Group:Sham / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-034-SA020992_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-034-SA020992_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0192 SA020897 Sample source:Spleen | Group:CLP (24h) / Vehicle RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-010-SA020897_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-010-SA020897_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0190 SA020890 Sample source:Spleen | Group:CLP (24h) / 13C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-022-SA020890_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-022-SA020890_pos.mzML SUBJECT_SAMPLE_FACTORS Bl6J_23_0274 SA021027 Sample source:Spleen | Group:CLP (24h) / 12C-Serin RAW_FILE_NAME(Raw file name negative ion)=230704-EXP-PAN-1-032-SA021027_neg.mzML; RAW_FILE_NAME(Raw file name positive ion)=230704-EXP-PAN-1-032-SA021027_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:Spleen | 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:Spleen | 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:Spleen | 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:Spleen | 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:Spleen | 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:Spleen | 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:Spleen | 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 Spleen #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 ST003468_AN005701_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 SA020883 SA020890 SA020897 SA020904 SA020911 SA020918 SA020925 SA020930 SA020936 SA020943 SA020950 SA020957 SA020964 SA020971 SA020978 SA020985 SA020992 SA020999 SA021006 SA021013 SA021020 SA021027 Factors Sample source:Spleen | Group:CLP (24h) / 13C-Serin Sample source:Spleen | Group:CLP (24h) / 13C-Serin Sample source:Spleen | Group:CLP (24h) / Vehicle Sample source:Spleen | Group:Sham / 13C-Serin Sample source:Spleen | Group:Sham / 13C-Serin Sample source:Spleen | Group:Sham / Vehicle Sample source:Spleen | Group:CLP (24h) / Vehicle Sample source:Spleen | Group:Sham / Vehicle Sample source:Spleen | Group:CLP (24h) / 13C-Serin Sample source:Spleen | Group:CLP (24h) / 13C-Serin Sample source:Spleen | Group:Sham / Vehicle Sample source:Spleen | Group:Sham / 13C-Serin Sample source:Spleen | Group:Sham / 13C-Serin Sample source:Spleen | Group:CLP (24h) / Vehicle Sample source:Spleen | Group:CLP (24h) / 12C-Serin Sample source:Spleen | Group:CLP (24h) / 12C-Serin Sample source:Spleen | Group:Sham / 12C-Serin Sample source:Spleen | Group:Sham / 12C-Serin Sample source:Spleen | Group:Sham / 12C-Serin Sample source:Spleen | Group:Sham / 12C-Serin Sample source:Spleen | Group:CLP (24h) / 12C-Serin Sample source:Spleen | Group:CLP (24h) / 12C-Serin Cer 18:0;2O/16:0 14764523.24773199 9422934.009269793 9836569.074893279 5658720.76672687 6160982.506818961 6398454.590511211 11072416.939672505 6897616.050107274 13174171.34741371 7929586.308042641 6537119.843073615 4554777.006757471 6719891.13371229 6499967.357399238 7089351.708232938 9003369.194405876 6243915.838752885 7714277.913729157 5559343.03697836 3097847.632928062 7203827.496956787 6641606.570419117 Cer 18:0;2O/24:0 1839558.7368802393 2983641.0398125183 1475525.430423552 1238086.503488513 1720346.500626166 1735518.4595879775 2695479.7492819596 1635123.2967145278 2994542.026813272 5216616.283036073 4111415.534143313 3263750.9374020305 1824492.0520108137 2161647.5868525202 3052443.1566320565 2730426.8506633583 3940536.2868449893 5055535.313973949 3110179.9746292527 3657525.1276252363 2737417.702875712 3110175.928582551 Cer 18:1;2O/16:0 609509401.000866 386723891.8495181 353562655.6142106 424041457.5866585 310999661.78071076 394373293.836918 528517240.8801722 524820419.8299019 548700569.7998397 312214001.24446034 308248836.72421354 262064117.9872254 396129210.7051886 354527714.0209596 382315782.6153492 467090202.72826976 330284964.62827295 327644109.1587905 301308264.9871919 180289915.31487453 349797195.17855096 366000112.3496861 Cer 18:1;2O/18:0 41239480.23133182 24177160.925290108 20446790.772951532 25435723.97449368 20366402.921839707 29004397.166964896 37257935.58897857 37713145.05279511 35759579.68783808 19900553.78983595 25638269.295564447 20714191.35425868 31042067.44159105 20435605.482667558 21887596.722663462 25527893.116432067 23133537.667373024 22936828.85356181 19716692.79141567 14994770.682654629 17663257.459422912 20647115.711461965 Cer 18:1;2O/20:0_1 23450990.31267781 20230804.927259013 15921015.525640236 23059522.347697686 19788856.38305536 21537709.89281026 32849255.071410175 35312103.99775241 32952820.142170146 19098620.32808169 23694958.515429407 16370677.407413961 28868502.864666216 17120581.710750133 16437004.207867123 19713875.26445614 22289853.334292803 23005936.739920817 21293405.35777641 13386856.807861324 17200372.393847648 12748633.354702642 Cer 18:1;2O/22:0_1 49893154.98586768 47852003.74052983 42204638.90464303 42726906.55607313 46806094.33160506 34875305.198338784 57450308.54376428 57467408.70711008 65941957.3684578 49092949.300985835 47842850.032558106 38663479.77512229 50155163.80971022 36540094.519897684 37359109.90142909 47269803.191679224 47693081.692987815 49364069.40142447 46947030.24138547 35567213.93318038 36896124.85473633 39733029.94740646 Cer 18:1;2O/23:0 15179006.740316417 19188889.019614175 13276079.045702387 16544643.607676966 21014531.285015408 13819773.19957827 17281083.9447365 19672471.058034506 21073807.45936377 16909223.518409796 19006737.5813963 14054227.44749563 17785931.758057836 13695120.01894304 12404307.374771958 16271025.690560585 18906706.61623224 20148987.780388117 19654112.901222475 12935649.014908481 15511717.141034165 10229573.242604235 Cer 18:1;2O/24:0 56901282.579101704 66807856.44728419 54479443.165655434 45613105.95283458 68208783.3436344 42159467.68811955 71515510.37992388 68394518.59185556 83358154.3526416 73867814.75682695 65545331.50014005 57852753.3903134 57457259.50862176 43792534.17274533 47784926.73962704 62296075.60755865 65661310.4377967 71006400.32051197 63695577.611869186 59545795.17993918 50483652.67547505 58892725.32905852 Cer 18:1;2O/24:1_1 701591880.3566163 561291400.8454479 461896263.4901486 523854375.7923489 450311822.59651464 486153443.9538975 661296358.9393468 607193783.5108961 608544250.8337191 417696493.1152391 416688815.9574312 407193283.09748566 490178974.6427496 408506384.5483177 432372677.5371845 524889996.65843 497896402.46916664 486083920.2467692 460115008.16523594 339556720.6159051 414141056.0016947 449358235.6370803 LPC 16:0-SN1 266145880.4066235 233772974.46337512 243091381.28469396 231160790.73395485 118851040.67658967 339969476.8401267 296837457.6905125 290173812.5468454 272769303.90669197 260341361.6832713 213120804.86232552 148104024.6693541 179892010.9271106 227383178.5988883 192073142.38767266 306563659.0392374 227045424.33594987 187444788.83781913 204047377.32397872 182195578.34247586 162325708.17834342 254526218.97571358 LPC 16:1-SN1 14016364.997449314 12545926.674925113 7755837.805784629 14858007.903391382 5645339.144995591 17962179.866922628 15471723.68040237 12549445.129055375 15046990.993143907 22970211.43322827 9602033.094029054 6801655.3326734975 9137558.141506813 16427266.584443456 25120148.54916495 114180655.16956791 14996263.294158885 12621555.53372776 11708033.589898273 11939371.314236002 17735060.00006813 52990977.58556971 LPC 17:0-SN1 4836087.119420417 4115087.6045893305 4215916.686079663 4706415.792889271 2268555.871926678 6145254.0075101815 4109964.0792579846 4437774.05439256 3674318.477677743 3439879.9666989157 3275547.963161198 1451290.9295191318 3047726.9621219365 2819933.9515172765 2559016.076240718 3495763.0769996513 3436756.9197413935 3098471.6202343428 3004180.0097858864 2877986.961875026 2680427.518312714 2462214.155272834 LPC 18:0-SN1 160884123.19465902 139013575.68796304 150457486.77516654 154896676.5324093 72948832.36855952 207235012.79087234 152515257.61133483 160701074.80519807 153594634.3082264 141954478.5675234 136405183.44320816 77127815.83179285 111768551.74841467 118252663.23152432 94002726.39908203 129034656.02390477 136987943.9446969 115933222.34092112 114898047.26639454 100906067.00313115 82305009.42309548 107259569.67297523 LPC 18:1-SN1 42343177.295136005 27217531.99691186 36873678.82363 30060953.5245037 13120078.781274743 39398173.3749045 35774500.025676005 32612476.57746177 51112973.91507146 48433738.767662555 34751860.768222995 16305995.510699132 18954864.648832466 29666820.38352609 25766369.66199485 221666824.60039565 25395706.728589825 31739521.557475954 24719491.189465914 28730326.946326215 22490162.905848406 116437297.28485025 LPC 18:2-SN2 129975491.24815165 91681824.82010493 70922060.759653 141061809.74411836 63478320.820635535 168990706.4181631 140147093.14253378 145602764.62398547 162055988.9153839 212129558.5069207 82894517.42077745 58673046.03534726 64357902.13817313 130767675.96584135 203153790.36340427 1539955719.0070093 128165590.09057081 112573867.49369533 81621909.40326472 91664193.25297233 121545697.93073843 483007709.1230881 LPC 18:3-SN1 1838780.6811367895 1658832.864493676 568156.6000802531 2146547.6646370767 2203087.5534996577 2690232.862548743 1664345.280149263 2298575.9019326987 2126493.9057602645 2556809.409957233 490014.65694870637 1508431.1316458406 1935650.9393118501 2280802.2576674875 2674736.2392092803 13017359.54204792 2070552.9257133342 1011048.080979802 2240856.92337731 1396311.979756985 1841875.0821311576 7575443.8140862165 LPC 19:0-SN1 7691675.520806238 8176461.317140103 10856337.207821442 9482330.135773035 4379529.615335295 4416303.25949588 2525348.008491566 2804947.9961463353 4527686.202213761 8108186.665639386 1815347.5042733047 929934.2432541642 1592872.3808360687 1523598.2019466104 986201.1591188502 1792265.602401243 2214242.1984446296 1924748.636405244 2070110.9239459874 1906759.0055984305 1310140.1703822096 1208247.8399058082 LPC 22:6-SN2 44427045.61450572 47295216.04068072 35422906.75014272 50329823.42807457 28367588.747231025 39834431.4860036 49076146.95244879 35972539.428621486 60054663.48170579 78167845.70460416 22318002.86186501 17142292.341945916 23806290.65289424 45624532.21644373 46476698.123521835 226537076.58686456 32201974.92847178 28509569.5239248 27162980.07900772 22003030.289749164 30157223.6710509 125372464.04979876 LPC O-16:0 4865954.519185661 3879246.2890963852 5598949.863358775 5128555.333239599 2083629.99463074 5161403.39322749 3457799.47121282 2561822.1761218593 2596996.8759902427 2079953.376344008 2785236.853020144 2556837.463864128 2690046.0620049182 2994499.544141591 3750028.939013489 6305976.2558060875 2960003.0798538895 2367523.791323108 3462481.055702298 3440317.217936651 2632450.7088706573 4603591.861081842 LPC O-18:0 2393146.8515541125 2136689.3838026286 2791380.8249881407 2763245.2533864602 1495794.5947571874 2873880.6895127185 1798489.3528795512 1417038.1812558 1471672.91477143 1215259.4332082875 1477329.8429226484 1097964.2063676477 1707037.5082539574 1352357.6875979374 1440059.1614377587 2205206.1083860896 1489278.7647878283 1338402.0586542268 1785252.0968656912 1958040.281301273 935058.8357052515 1753461.319465342 LPC O-18:1 9258547.92399959 8683732.174997874 8509370.887641598 10835539.923040435 5243956.926500646 11172488.859984104 7867979.71697116 7430270.947331111 5152985.321722522 5031807.558669136 6082410.891585747 6309177.513291743 6663118.220809198 7763048.17942016 8491293.185949177 15695668.399569247 5247229.231169188 6799008.135486636 7430276.668597709 7440464.889891536 7381177.4922418175 11467051.694893979 LPE 18:2 9682056.716517024 5386616.337671818 5880964.428590475 7494863.73557554 4837838.845127817 7658361.792002258 9519893.507114999 7527686.154939308 9887411.014187677 9775236.544275666 3701713.9222829253 3454967.7730596242 3820832.3469322743 6577386.393173777 10747560.66504402 39266432.70702091 6557913.493284929 5272212.351464655 4034379.36424928 4880848.216272452 7435072.259383456 19323222.04479835 LPE 20:4 179301598.26151937 146759147.0708909 115052817.94602577 240081308.24930343 130750026.0428618 234408690.50155336 185204429.54906973 210283070.3162601 253780599.6769676 319571197.67695796 113620439.12852111 81992737.16555236 119379189.50247467 175408368.0034092 254255309.89330617 1583653274.9764853 195858795.9090929 158162286.45449188 123509960.08539683 142147368.01623836 147265644.97195867 643224722.6874187 LPE 22:5 4781457.033875143 2573638.670085413 3627945.508498988 4348248.170220428 2238831.8245503604 4930871.696775394 3081158.367402226 3996659.2545781187 3898467.6747012367 4726114.958350026 2364077.349973592 2459789.270326936 2742679.023937959 3240362.809703326 5080972.039596046 14713373.084984824 4328236.951146812 2575664.4553510174 2878187.565191412 3600362.6727105146 4034996.116713544 9607936.54769056 LPE 22:6 74781188.5227769 70476410.96088175 58810432.72371035 78004635.25219479 48391723.90432168 61329135.609398976 71500115.58801626 60286922.45856349 84144018.4831502 113448547.91796395 37270879.49285842 29757857.0837195 40453290.66994033 68355142.31702529 70353018.23201229 296443377.98575854 52028752.64492901 44787066.85573986 43603348.52950426 36165572.236221805 52135957.397529125 174461345.31356388 PC 14:0/14:0 4757031.177858009 2730548.1579501485 4033877.826144606 2981083.0560436933 3209053.5815655384 3604788.945375011 3332735.423683103 2956467.911741356 3917008.1138575645 2820569.038008468 4840248.808151179 2237942.608084658 2631242.7993737524 2903303.2614323376 3839344.8842272465 4385268.871814278 5060839.300760215 4296749.633662313 3982386.3489523903 2937347.486590095 3885443.8462284235 5581287.4292217335 PC 14:0/15:0 4608305.716296003 2091469.4325134302 2453885.033961139 2594050.784746644 2503500.6436772486 3059821.4256138247 3414227.6056487826 2621000.3888793993 1961346.7489093589 1659181.7585082492 2671325.5406865873 1370806.4637256353 2078858.7807084743 1774185.9832764966 3088880.1095076455 3516769.1758173206 3494016.846976651 2651318.2066137046 3345247.3283659173 1624590.866114205 3562123.131499161 2907254.351059432 PC 15:0/15:0 544421188.7124686 304167889.6628713 361716741.47890395 344048075.0494252 312667783.32451653 384861357.79055494 426622198.33554536 360316094.42063546 384859490.67525244 322223649.91152275 374208977.8468013 239356434.09601152 266795633.64185822 280929742.07010704 397454466.98979425 525849489.8211489 516010997.7901457 378693621.4949914 396654841.35829806 272801928.9599187 389470029.53110677 495061083.31763697 PC 15:0/15:1 32431614.043032736 16192471.21479066 18396588.952589292 14935299.81876992 21143309.671017427 20223932.80217685 21409802.49135017 17587055.81508181 19309907.581368815 13248603.880061297 21656988.38917961 13744730.159251753 14492295.509412164 18009694.350548927 32181866.135560058 35774341.17733826 32086866.645370558 22370194.927313186 24710958.697592214 15652747.575378584 29239833.891366765 34515548.22574434 PC 15:0/16:0 371734279.47157353 210726351.77651402 211010844.18932492 231364490.29081652 174261381.8564468 241247348.96523702 233861772.49966857 222732756.368808 203971401.58859232 160184223.18866396 183453363.04546237 113881694.80170102 178692126.3926349 150805521.34523094 188831985.5827494 244587041.38768786 227930758.85697773 209001002.78382483 252183524.6702663 116986738.79141025 230413108.56587943 163339704.7636151 PC 16:0/16:0 20417851293.955578 12456442131.786366 11994251061.272497 13577072029.312284 10068611913.17848 15153886850.010208 12873115920.989094 13905673277.725094 12573218884.273317 10566655748.985773 10092512601.596338 9375392020.250692 10991924721.771885 10412023532.075256 11595404748.46595 13886359189.15578 14399330959.005642 12450505897.022367 12804491969.809847 7795438151.803723 12072440111.941755 13051279423.643631 PC 16:0/16:1 3708080147.7253194 1992642481.6286724 1919020267.2553327 1977497536.142759 1575588534.9017286 2413383225.289917 2257288783.6458163 2095153171.2207282 796021223.031617 1484075427.209757 1500103702.584743 1499760452.0697856 1474728846.0684438 1959363931.269817 2670403977.2156105 3010385368.0054874 2476843098.325271 2011748577.8121903 2007631647.0293128 1171839120.7680614 1484102326.8589454 2842434465.7391634 PC 16:0/17:0 65284266.344564445 36703343.315654255 33370063.101158425 44852169.908115506 29983264.904363345 35948780.159671806 32352440.961277623 33004162.485668924 25346186.668321468 22429045.579218034 22650007.72031373 16294112.956950555 23412556.11557675 26683935.231100727 23219918.680293478 27630066.497357294 25761898.672294352 25873408.90456053 27757046.80112667 16904838.089313563 27393897.396578807 24776761.934433617 PC 16:0/17:1 233325476.88135546 107471529.86315545 119718722.08584681 130588833.76164943 87298724.7020514 118070394.23970006 112165697.2447401 108870038.40849388 105732044.61333185 81576899.86114429 81299279.60230918 55345581.29450338 81521647.8252102 92413118.86805302 100264277.07785459 127917944.32397242 110834823.7045008 90929769.86533874 109426872.80586535 66883670.78197643 119258178.40144455 103523589.10224794 PC 16:1/16:1 181511525.97715846 77230220.3707684 91592576.95771058 89828008.42423208 71125717.8074433 96613335.82326497 107394879.92223826 85787839.10518488 90300603.76078944 50200199.698047265 88081546.24491362 63659138.38210634 60439486.131771035 83664446.89414956 149757784.25544086 163927707.61278036 119534349.25030652 91997312.35336879 97207984.66343912 67081286.10973123 144838145.92181838 151040309.89306676 PC 17:0/17:0 635936502.1396971 436154372.0516066 437643784.2294753 491209981.32499206 359303542.1196112 459427789.1245627 427039785.07098126 445336782.10301864 424187014.0432236 376601107.08052087 362355757.49040806 252638787.8340009 337835346.10954404 309835981.1470947 298534129.0007366 386878361.8471362 413167904.5173356 375169794.5164898 363439770.0502562 296780057.6509583 319198127.6647578 404491031.8254779 PC 17:0/17:1 13687249191.126324 7095114055.966168 8036748291.15686 7990899592.069353 5916785750.710703 8479425148.173215 7288622274.455701 8878895869.117977 7499835916.479727 6363438140.625029 5455154599.854855 4410589453.288455 5353586566.255813 5992796713.629382 6177993228.27431 8187178437.515057 7488412587.349052 5523567491.818675 6426639180.204909 3683289623.501786 6219351059.97315 7697242508.905464 PC 17:0/18:1 143115966.26159677 69666375.60072216 74101996.4313657 93123573.31439433 52372954.743355386 88460549.71534021 61106957.31177281 81839667.85683279 72413540.46139516 51496965.9560466 49789872.564156026 28010429.84397621 64507774.251903564 48323000.17182399 37647439.75010491 48490315.30111589 52980728.86334498 46806503.043433584 55638912.21580337 30490412.179887123 50201046.533410005 45207573.11699766 PC 17:0/18:2 136101922.2094616 64337030.14061013 64063623.65050349 112065102.7985443 46554013.30574045 80067066.91356383 73870153.33464688 82601427.64766519 73894594.19121926 35268934.26869779 46605012.64226635 33123235.090326753 43354911.45338468 56679129.93098285 50707681.332314365 64384203.45078518 52767281.18168499 56234122.32896825 49042326.84473871 28722489.87308101 60518041.76714803 45322165.29973582 PC 17:0/18:3 40041318.19918976 15363520.34328897 18027160.29463592 19602900.884741254 6088878.564259467 11640437.441675147 18704243.884513173 18754523.153485626 18535745.94814882 5881222.228437399 11896224.89339298 6814499.53986213 6568879.929152631 15843599.719451144 19472859.97542622 28896660.9455996 10245904.613964077 12932071.193999568 18448445.3528313 7288972.996244184 24790356.4519427 17989344.77762443 PC 17:0/18:4 41645743.99959118 27965885.146721017 26625819.798278518 31364447.115827683 24528106.9385669 25009473.821831036 28706367.72828724 29521698.218090735 22238926.345924567 15782175.55505144 19011968.229752585 8184545.174925411 17667733.62103088 15867136.675492482 18283729.67019536 19110789.70172957 22965446.364542317 20411749.92957262 21173927.006294504 14919449.191126848 19929986.402459934 20648419.30435708 PC 17:1/17:1 17006045965.134314 7967844114.534392 8771372051.022697 11116217901.809492 6752906034.403669 10648832309.92145 11442945686.134233 14661154659.980944 9581919097.116137 6281982961.948887 6965730207.9320545 5745790675.859037 6388886390.967242 7673817418.78873 9623266516.950468 12253036569.159794 9313188315.485693 7432397770.991107 7905017189.727518 4592995646.822976 9393146453.28167 9894205670.074553 PC 17:1/17:2 281008484.2986707 156995066.1133219 198951600.06879818 157228991.25148636 116947396.70700948 133542186.59687862 127834599.77151868 203366876.67557436 124455257.20456004 151750120.75488123 81233583.8995932 83432337.95521691 93136630.90023528 136927790.2665666 122233603.44467273 160665864.98325402 124766164.90909581 95685089.25205114 144457460.61478814 77678152.69290443 140367858.46999332 158190290.21119863 PC 17:2/17:2 39772494.82591057 24254173.68231711 33917191.40477399 25694392.02616134 26362026.799903747 26494225.363015983 28454442.31538752 25225346.638660558 26303415.713119384 21876462.01400543 26261354.547000412 15005164.136210445 18190054.903664265 20805867.27124054 27884726.492029928 27811026.506574143 30427371.440870564 25243862.197451927 26405441.08629556 20820620.602475192 23879928.206249814 34259427.249111116 PC 18:0/18:1 1315316939.8786285 697160204.1736649 744672211.4100765 983432161.4592997 505469532.24177027 885877445.9630452 696058490.8458531 784904703.8966101 694664856.0452955 455999023.8655219 517079895.38013166 389053668.0977912 540240957.313487 507009552.5525937 474778704.48537004 606869146.4699904 571621846.5694906 474141870.55798477 497748010.5593155 394604645.6769969 444308375.2961309 605766874.4736307 PC 18:0/19:1 25250373.053329606 11472221.977826342 12362592.36135184 21440314.353736617 7754940.2018786585 15835126.188887568 9828900.847604541 10669697.53738809 11244365.757777527 6497802.198427332 7861158.686509108 4003908.8985308697 9229084.30044041 10096791.952559015 7370422.029445959 7952155.69647027 9193048.550109563 6632177.114288138 8917644.743863052 4303909.036780369 7156734.767003746 5508003.059916566 PC 18:0/19:2 38111773.77938324 17765026.04603661 19300262.55379546 33426778.93012282 15101420.262388779 29929200.397987034 17995096.801560115 22217491.37868038 13474732.651547085 8154144.495585198 13560381.366877899 6895663.120827269 14622690.669852583 11284584.733059304 10981318.378477111 14977329.781919619 14265927.827276278 12942694.47569247 11648388.620018577 10025442.285395596 14624605.662597485 12538094.735343752 PC 18:0/20:5 4539371868.772725 2424846532.491992 2770576374.2060924 3061148189.011815 2080958564.0677648 3061260400.040402 2579126339.4358788 3433068194.122544 2613097314.185881 1999643536.7603023 2144805797.1416035 1502877346.0419078 1927024406.6585298 2135938882.1358542 2505760139.9814305 2864091952.299806 2718169471.423328 2129567079.9805257 2434109010.99097 1497292521.2180014 2175057541.906806 2444443940.796552 PC 18:1/18:1 3231581827.011565 1477463923.854645 1553985159.1842759 2022004635.3424594 1343979673.1627698 2088329735.4869542 1621239520.7645726 2015513973.0099373 1903552432.5757082 1165768857.8581526 1200006553.349344 852458192.41681 1186837067.9513988 1272871824.4737833 1217205794.6584065 1717319958.0092444 1518865551.165854 1112140996.3771758 1256881664.03407 737668620.9357204 1203900804.8722756 1430917840.8612196 PC 18:1/18:2 4309175573.298801 1576694442.1056206 1870577455.89353 2071433804.9598823 1204338581.4378247 2066836005.6014464 2065566827.8920708 2544893863.123902 2005259412.4845967 1181226546.5435975 1351152508.6228423 1030613936.2850093 1052067228.7526987 1556704722.45067 2240322450.2863693 2989470764.4737086 1745755392.725308 1357047209.167699 1475227342.514802 837015965.6412364 2174119594.200497 1986797806.2712507 PC 18:1/20:5 886388659.9287817 525402670.2832237 562844609.1796169 551345659.1047974 454121713.8163758 583917967.4469575 601935366.8072056 615144335.2219807 528284834.1953312 438251231.98184097 438863020.90413564 294935412.63483655 375728066.2393925 482260049.57440656 587289040.5968034 661659482.7024038 495820733.0638071 420984305.0589099 451949285.39067465 258560854.71616423 496704194.54697067 469610693.00024116 PC 18:2/18:2 14525062381.950912 9391649379.561913 10653201792.1854 11385598823.680504 8736908409.570375 10551016648.019705 11434604384.327044 14497611529.930822 10045819646.24409 7823706623.801047 7534167283.339233 5682246177.419813 7344669351.194716 7671014300.421667 8082613428.602146 9034745888.69487 9503874501.345829 7866224182.448459 8793442273.309446 5303495322.959963 6868149385.6474905 8261639407.675143 PC 18:2/18:3 231158817.15831134 129414933.73789524 137970919.40546456 133126090.78129913 117857427.30406575 138824893.21409437 165762315.68603012 140736875.2070057 127652706.35940532 110118134.75976717 111761686.05964929 84138446.6244943 94099026.98333701 112613157.00090747 208412642.62079164 226242532.1731739 162480821.37811893 124299223.46828951 140018709.4729797 107888043.79247394 160050762.6604818 248111631.21464568 PC 18:2/19:2 130761029.97103398 78181894.39371791 80684873.3430486 120844170.31055343 63385780.41402979 80296676.96980667 74686296.89117746 91362489.70379326 65725800.771484554 48366256.40170124 54852699.84118715 34662537.540105246 58464618.37432319 51226854.11418574 47334948.48878889 53763619.98485556 58542896.724183805 55710879.22533917 59523275.49518648 47646570.83756951 52158054.81743479 43758507.07569037 PC 18:3/18:3 9743790.248975568 6412406.565417559 7987104.3429431515 4200572.79132454 4145275.333911175 4648764.719527716 7757980.170384916 3919572.0985587393 6078788.830142995 5460109.243939219 4808048.749207484 2271168.5972309057 3013416.061686576 5107987.804905656 5588919.867413944 6843124.976895174 4951192.163760738 4162771.880114368 4393445.940208405 3040111.9199491227 4278014.113952749 8590553.424027273 PC 19:0/20:4 36685672.8764705 28048465.508964483 25170560.82631876 42456805.27460531 30602923.11664144 30299827.467655722 21380486.68220858 33739061.9737549 16474882.524270998 12505231.460056948 17030699.608675677 9842960.70668061 19388612.95569551 13366961.81583962 11828240.161260182 13862451.517089676 20869773.16037879 17797642.168939363 21058761.906648353 14183240.93039073 13159847.109210262 9629717.296990559 PC 19:1/19:2 368770796.8969976 134574471.9030308 198699518.69578004 287707624.33662415 120207044.56178743 272164477.5607546 196149982.67294115 252465035.5218072 201767615.48359454 110745815.76404932 161419151.8472207 110853779.27779737 161614012.97410938 113132735.78580062 147983857.60250422 167694403.29617515 221952711.6564301 159663560.3434079 171083481.0472374 134099241.99486332 131541088.24004802 165035769.49119508 PC 19:2/18:3 71821716.76858081 37737214.17858931 40355614.09871417 43529002.88821892 27244839.30858729 36231186.368959285 42862883.10782869 44282957.386481404 42111896.6227393 28050849.56507245 30244919.117310073 17554473.67696852 26832988.331262354 31429808.63635997 36010186.92040208 42113731.13379075 33848892.16349958 28074361.075551763 36613567.48030221 21705385.76708712 36011329.31089962 31654506.076469325 PC 19:2/19:2 6767417854.098383 3997735298.7505536 4357791184.058131 6171042489.949579 3666199029.698291 5528678258.648048 4629640656.125325 6509999544.106172 4405306695.783306 2768856278.390109 3479048382.6844697 2213267285.9658546 3816852076.053327 2980299799.3649607 2755424457.4363513 3442939821.149982 4246428354.148742 3362410753.822772 3494722724.1390142 2329141958.8210435 2425506670.2744617 2923275689.675179 PC 20:0/20:0 9837240.194115186 6963233.771127963 5496052.401700931 4843415.279326723 4556889.898487718 7797179.846439275 5350885.334627723 6055870.546607565 6453222.861065945 6287214.127942562 6076641.6169898 3047327.06353742 5538830.61508295 4684034.581580116 5093169.291088266 4682489.596698186 5658898.919008474 5020591.496353869 5273736.695750719 3964665.823782773 6400178.3994859615 3243872.9069028185 PC 20:0/22:5 42321742.974796474 28723326.595084433 28809806.55890277 39023844.54869084 27100327.836055335 40904840.056562066 29191726.492010083 34018579.68262375 32567361.675928548 17604841.50561993 24039364.867504295 16760147.665262371 25427738.310662467 19069221.7970995 18549908.861752912 20286886.175646633 27771191.95085781 25296558.16228008 28151946.84970476 23373539.723717857 16526477.026670229 20968991.11780498 PC 20:1/20:1 45258603.13928044 26565371.766893588 24301184.826689452 45013111.92768942 18429113.314871017 32765619.01748155 21406969.284553528 23820227.20370248 23658214.766220618 15594093.07156771 14822108.727590214 11392836.275031768 22640859.772766713 15438908.333786972 13656731.237563457 18151000.881799538 20929939.32732513 14465615.319543082 28940979.503041673 10269192.919846578 16056915.19013037 13810468.982034255 PC 20:1/22:6 50432601.08535009 45591139.53184935 38864792.713277996 35744686.21618361 19513082.968269214 29780792.974445257 40136768.84609038 29815529.261522256 37180198.211348124 21851286.445650116 19990278.58923339 14603834.492166191 22262501.43244744 21316321.03218896 17053030.556503806 17625392.38144058 25120451.110607456 21395064.992726453 25334398.40984136 12448211.913336251 18154641.9590124 17466515.114063706 PC 20:2/20:2 90691939.60556813 45891674.23691328 59475054.86811596 60957854.65830953 40257062.80391158 101192513.97590859 48647095.78664849 64789977.86364417 53138485.40289096 36534065.98651242 50716525.675467685 31646034.65759288 43274813.64126484 38761496.47580043 40247079.62624638 44423750.02695664 55716697.74754353 54366302.24177599 55908488.03680023 38930553.13226032 33819153.6598895 44342973.54021025 PC 20:2/20:3 542819375.4419824 336994236.7811183 323287747.7307708 454223697.5136036 275516310.98613894 464116817.2050204 347855147.9362535 422666165.6004347 312527005.23134744 204011358.45255095 264869470.83590207 178968253.2846073 291039719.7284373 232332681.37878034 225617538.66988176 257259677.25354832 355646720.26818585 281260090.76721483 305973670.3452357 199267236.24700177 199982001.40005103 249207589.60023284 PC 20:2/22:6 94769601.33448012 74788753.60543327 83110712.77639419 53524148.50312989 48214547.16253265 52547848.41239259 83302083.03796788 55353468.66677897 80156414.49040096 49484696.19328203 41878284.81827566 31423410.702395145 35187415.23382887 55043934.04970716 42053766.901403375 50387676.880208 52439222.62163676 39262076.50999656 47989456.31390653 23562093.06462006 41402846.712797426 37225252.5839294 PC 20:3/20:3 217367075.11162677 115008281.05199571 114470636.78271684 129086403.39414437 90512692.73236738 145014718.78688446 121282365.57257138 117868585.88897696 135992658.9193949 96703934.30111562 67814179.17617013 29120777.06382541 68281628.14957556 91826526.5174677 99625626.57741679 130941268.87842877 77920229.09066449 71175407.47948126 84770649.07670434 85822242.210635 97641418.39623666 58989687.26879372 PC 20:3/20:4 451335295.2301157 294927417.8382859 335006353.1040333 254196502.13849407 154796305.25267294 229065648.44846675 336372867.2596647 230882230.65800366 313912204.7627648 246015915.64372185 158960991.2868616 126458538.22503687 155485991.2344228 231891641.48266926 221387386.64234215 247291777.41862103 188024343.30897197 163275731.22730446 179013512.492864 110315680.52920264 190244130.19732893 254910253.3819216 PC 20:4/20:4 386176568.8605227 271948732.92840743 289809846.8481499 202578079.0439705 164200768.94412953 172385685.36207297 297244540.5721038 187061010.13449395 249178569.17625722 201138219.93239442 131011640.01756684 97146205.00952157 120345084.74254602 198875925.37381837 219514222.05446738 258268297.64568582 132951665.37448426 122438422.2303171 131732232.19021058 99450981.20585427 173204705.68914717 228533197.29955685 PC 20:4/22:6 140760978.07638878 137824930.080326 124846816.08835888 83987996.52126722 58528514.39538055 51095708.377062395 125043088.14336835 66691883.01623157 116893122.34135218 96170658.42950296 42149552.84434406 28701324.374673232 45849312.08620154 81479315.30732302 80102793.48788248 91486035.7384887 43134115.404607326 37561979.54207454 43358001.98226514 27654596.6866222 60545642.58031091 81472424.46581022 PC 21:1/21:1 12495384.25410134 8183640.5998709705 8582302.246206399 8303918.271245215 4030135.4237108617 8853824.52185451 11024210.009640401 10390884.307200914 8484711.905477595 5404209.184014472 6715767.6835076455 3553915.401825709 5163521.565327902 4549697.659027467 5055471.528747905 5870671.268334985 6390714.439687755 5975499.406024288 6847897.052700351 3701820.2518883194 7328643.031445962 4677567.900055491 PC 21:1/21:2 23959764.888038326 17201575.487374306 17058178.961994223 16195017.058190621 8098737.473701757 16261825.33895118 20215621.12434744 13655208.145930601 15989600.2733347 10015538.852820659 9795183.960590731 5751089.570652561 8050839.618642096 8470545.505332388 9381770.781578213 11589057.160493432 10670549.455833515 9325426.411859466 10790968.667554965 6924557.096770938 9611685.11842608 9167049.127853902 PC 21:2/21:2 22975394.65867886 12710826.166878194 15417570.515651442 20288065.429932814 14220516.29805312 21131997.034987863 17891697.108642235 19498925.658013303 17676572.287595566 7662260.93507819 12268646.088938912 6908963.786420213 14402195.650345555 9543820.702613916 9693329.65544474 12155547.757676532 13167196.109531151 13924696.623955492 15192487.526249474 9689155.583142016 8180223.148038074 12028823.087283809 PC 22:2/22:3 24043609.4396713 19574565.57503594 19804040.993570775 18378012.49424975 11886730.063671358 19639357.16856855 19978878.159035973 15891399.439842472 17439564.504728843 11915733.366067968 11932520.625654755 6541045.34102811 11221224.610413352 10000901.544269428 8765429.91592875 9115591.794529848 12881559.736902677 11061375.927875794 13565111.875593768 8956134.670026345 9887795.396976141 10766863.779708315 PC 22:4/22:4 42563228.349183336 28479306.511756696 31774449.431085404 38993977.811827004 35947520.48819334 58220618.593547456 36321498.35015209 48676814.048843086 40336245.64583243 23675161.339190412 48276924.4370923 18499660.53441061 31208190.842245426 20319196.37168306 24839574.371834636 36019332.18577184 55344684.51904047 51222820.0875786 58100936.38688675 30991675.97991976 21058702.00516711 24630047.792692665 PC 22:5/22:5 89161680.5029513 70592383.7513213 68450422.09422615 56799983.6829015 40440570.0567916 42000809.84071243 64254872.263292484 42740619.185055904 70189167.78797494 47711195.63308317 27731928.779929496 17244280.729049467 33593605.38180484 46747934.173290424 40507013.35375021 49460949.621805884 30535777.257941682 30109518.77080333 31735961.56627797 16283486.176128449 35056609.046951346 38720383.29384682 PC 22:6/22:6 15662739.407962818 22413078.042070873 18872950.051594198 8569208.040493447 5496339.68924746 4482979.798509943 19331975.742175505 5995479.983554227 15924448.69633592 14282387.075063918 4253939.729877569 2885368.3219846026 4174308.673028694 10548840.490251504 7279995.987297331 8085322.069623343 4292375.529468991 3753729.780771379 4682258.883699704 1884025.8599455424 6086988.155439587 9217913.551878178 PC 8:0/9:0 1365925.3974547726 817031.6670779402 734830.1394164945 1601881.242515781 734075.1348851647 1191610.8974371282 1182482.484108626 1197396.9642168751 1130572.8254277755 696416.5732242308 900435.9739096541 717106.6660340921 967283.8171585072 1038553.9521188706 733112.6078259492 1149297.0308577516 725424.0253601123 702993.4609852774 715494.7911462582 510164.95456917305 510046.93787722266 1025807.9126842202 PC O-18:1 48914097.633136794 30993034.765243046 26619023.450882375 37748629.58422729 22782410.26613205 36394323.987834565 31687100.91237548 32962998.950216416 50695100.15986517 79250741.35772312 24639666.917157903 14957241.055197367 18979625.461584844 50170576.92564712 56898962.280423425 319900152.4697251 32042974.89186398 25378435.372857746 22417892.757061224 24543295.745719124 34828594.963990435 166758585.9407887 PC O-20:1 1040647.8522232027 848473.0035538881 552532.1671839772 1055005.7814260067 579496.2614450261 781809.0338534566 577476.785219729 597270.7917710507 850254.9212250621 1073178.0909984112 413775.24033502094 218229.26443766177 385661.7228414587 557801.4876098947 568867.695819836 2180597.2253643963 584640.969965361 569411.3912414102 479866.01050556323 566807.5981868136 400254.31472093944 1690396.5548904764 PC O-20:2 7454297.064248947 5235448.873015495 5715112.924541244 5681411.115945919 3080123.2471509697 8698570.496472506 7668855.473646279 5911127.937789404 8569050.831986317 6131826.002595239 5627942.648476077 3600569.0916313254 4241847.545110038 5429068.454725666 5013885.618401326 9468994.989846261 5812561.790591828 5740140.467900711 5353581.635527335 4692019.109498997 4164691.058358382 6027155.425659123 PC O-20:3 14162038.449216263 8241896.585393066 6640676.389176116 15046954.571226636 6599963.213948615 15387994.239861066 11473554.054364838 14325930.136718266 15842630.265922131 18762694.479121543 8273257.903244018 5852168.083880981 7053917.132143632 10667335.271226613 20158642.58881118 108482216.73680453 17826080.951104287 12103711.624705393 9675250.235100647 11451073.068488792 10947143.754017692 49845410.58483074 PC O-20:4 132821227.59259914 119552642.77722389 80861164.4019304 195599668.8992337 100884784.19839786 201328205.97515017 159028535.72771165 176018705.0300551 214513220.46550328 291969756.54591066 93664914.54077351 64921019.551690325 99074070.04956546 152705749.7916394 219620112.74005252 1527038803.982882 163745866.02915135 141425095.1668744 103209522.90235382 114764851.60486831 112378664.88534577 585662384.6460906 PC O-22:4 10944137.025174865 9666941.633269722 7915491.141189756 13301719.443534506 8563420.205568813 13916341.939784603 10955665.674524419 10201095.06303467 17471337.34651734 23716818.466152318 6772134.641093965 4073212.076531943 7370619.386460016 10145567.773270678 13154978.42535206 69964756.00844905 10808656.211767199 9280570.373083394 7447013.073881171 6713283.1410484305 7720805.883532439 36402255.40480374 PC O-24:4 380388.3268881363 533866.9009612643 616550.5829848306 556808.5294061035 398246.4541300345 1256215.039993768 764760.049937639 660334.5759565308 1058279.485557592 893345.1969356906 972890.0909243987 237079.85360641213 548138.2721312288 480848.41118870553 436963.1803691013 6636251.007148713 1144444.4310846254 986517.988263116 1006076.758191158 887440.7288125982 300919.212825345 3949489.472103081 PC O-30:0 53001005.42307337 17696202.699199747 26272021.166408584 44215811.351391524 26646939.846494183 39705188.722257316 31215566.89728644 31719367.972139254 31197608.922303937 15286868.256467082 27320431.351901773 20484011.45966805 23344605.274788566 20547543.897947755 33741621.13739977 41791128.87276065 42751479.89937374 31664410.566385638 38565760.234302536 14609155.665584961 33057931.800067768 27117705.143480558 PC O-31:0 39201022.623993166 14195292.462041609 17993912.309374228 35126347.35425355 18010935.641930018 31364688.303245183 20433468.189186435 23223773.60931692 18176125.002310522 7927504.489441981 16513288.802759347 11936274.754501818 16941039.71222526 14549592.513833553 19945335.1386621 26855777.11872353 24864669.64929587 22689953.533247415 24152417.878388062 9800947.554101126 24685127.46428002 17103551.76678088 PC O-32:0 1012066599.9528399 411970633.1835232 498052911.035951 824376536.5292263 433199333.62354404 792476988.5153303 560275890.3068943 603267684.6112427 516255944.5607286 308623059.12947303 466968661.98321897 415835862.75805014 455470187.86243016 397709330.35525715 511490873.79610765 592926810.6819028 638548263.5979372 554054640.2537352 590401119.1643639 404391663.4898905 501623093.5332062 511743890.53796226 PC O-32:2 22503891.0869772 9841627.131200941 12217042.300343297 14207186.87216554 10469144.841198063 17654273.64183025 15497673.031452173 12442811.898693472 13173089.198170874 8247553.896632361 11603181.152524203 8311974.592307564 10462835.792425077 9112909.126412248 15763640.098261237 20296022.804969925 18397684.901302677 15187035.293963343 15130882.9650877 7796154.1858781045 15148269.422234226 12340435.202727163 PC O-33:1 40036537.88442257 17670214.31073966 19817070.35525014 31984791.460495327 16224084.298874319 28190678.607104644 21395214.71374163 19530720.75870893 18335981.05393482 9588227.424967492 17704611.46771965 12792897.672845237 17756757.904713586 14100860.91202333 20459539.628276072 24756169.262510188 25932708.92985938 21439608.68077818 24296603.52608361 13001651.270703852 20859927.11285705 16159604.956696745 PC O-34:0 91963393.235642 57879613.20402262 68624789.87170753 91078819.36007349 57632059.47524156 88003185.22139882 59783202.07593609 60624226.69753473 59433732.75470804 37856930.20742441 48863373.412246 44047659.92196785 54550282.88575998 37205342.185873926 42056996.91668804 52711285.998534754 61032414.908350356 58162418.06440015 59340832.11671545 44044533.06022909 43265988.32157194 44167329.41039055 PC O-34:1 1641907799.6149213 794188780.7073324 938402551.4057788 1305724741.4017136 692135740.6576908 1452565102.7364962 960568703.7345626 922012390.8273582 898577351.1962743 517719939.68240786 757124222.2645136 726492291.1413064 736355849.0448545 681150892.1350219 789194755.9786144 923444987.2550858 1030615713.0453305 837400866.2957814 912885450.7086483 670471825.7176678 737557683.124152 862690785.3320937 PC O-34:2 1010928021.5280194 466713543.7398949 602903997.5068301 838011481.4764358 370416621.6511613 704870101.9732499 614469314.8724924 493016236.34511876 545883321.3825049 289778121.0717235 336904080.58714724 339407798.9771451 373938416.81246275 360491667.35342157 470741597.7723958 653541838.3323873 500778684.39210594 421117648.5676038 465033090.7236736 239819271.1591266 447880790.25723 406412261.83954424 PC O-36:1 56763396.02357741 36992491.55564541 37105835.5500526 57521869.239548 29164748.175510906 51465255.2404645 37637559.52961308 32347303.919967752 24193364.945917677 13896712.390369048 18145634.629633896 20809111.066882245 30090179.14040298 17453238.711754177 17055095.633421924 22902422.931280732 23625730.53108618 19458080.582381546 20203534.570910923 14550766.850334996 17811557.37937097 19947521.412021577 PC O-36:2 132592501.40818007 53900686.7789055 59338230.42398188 110520152.09760538 52154831.01882915 84643816.13625795 66479362.233834594 62189535.52832762 54270837.54732263 33048711.590166483 42902370.68276016 46260773.47311966 46698793.55525783 51027338.75247056 63077864.386160925 78598168.85050859 71702440.39452568 49481420.77831229 57494875.8457538 40225598.37206679 58311962.360519566 72482273.83298436 PC O-36:3 511686481.6224622 227501863.35458598 290920979.3961911 415990989.7923851 184058074.08505487 335960799.10015434 273682296.2388798 227194245.76160985 256349651.22822288 140065716.7944562 175546943.1714207 180330453.23540506 158608067.0362096 188172180.47924557 260707700.19566023 354335815.4045564 265680005.3945692 219365819.17939773 250863423.67742875 129636809.47304092 248279008.59750038 226809347.81856224 PC O-36:4 1223318544.48758 557258194.850946 621223588.2681967 1109781832.9342813 596304843.0567961 949117955.6544441 672174033.6824178 765349806.1920519 560506108.9433379 334454979.9155827 491492544.84020925 450324741.7409914 591927944.3561949 509776219.1307514 574377404.6534833 707660921.3722874 651174864.7016355 562437231.7191474 621644077.0856668 429377174.9546067 493676029.7892434 629800151.5276357 PC O-36:5 93146708.35975352 46562761.09150533 45670499.45862474 79566606.19385545 45503861.3685101 73152499.35459194 57302971.49956071 58570977.50275158 46549363.7466613 28169152.47572029 35142543.767224886 37169193.04148072 44147659.36301654 47458288.66619336 58107421.66979191 68219695.58081594 56012342.75357458 42091568.27008431 49165517.29623206 29550609.74297244 44218227.96214643 54739903.97708557 PC O-38:4 151896681.0144794 73796860.73671594 91735620.33017257 131220992.1826096 88317027.17638028 146961121.89696765 98888003.73827207 119793313.4549592 111735608.61212881 53216254.700684 91413375.16006818 64242805.88959971 95048746.28402399 62332458.22935105 73449302.28633839 95978127.30410714 112821521.25568795 91323126.45425186 103674752.17933512 52530266.366120584 64145174.4776171 67607833.0869645 PC O-38:5 2593944059.837787 1192740902.0161624 1068800772.3462465 2200031574.755346 1050477173.342631 1992446009.9879534 1308015751.5288382 1462648622.5452392 1167769368.9275382 638049312.2291266 893299247.9562991 906768112.2382979 1069146892.1442254 1123942389.578867 1240298217.1914558 1761548946.492851 1332571487.390095 1049831459.4860227 1317893944.8948247 785876972.4887735 1088570824.5508733 1309121166.940173 PC O-38:6 208056213.64579898 133330936.1703727 170564457.95795333 191773618.23010528 84033101.2337737 168740640.29619196 146721240.47292665 127533934.50648516 141586875.25127178 83765108.05560395 92422726.27895454 90826595.73610719 111690779.19226795 115082828.39142479 89537291.6898445 120024976.5986292 114681523.00250444 103676174.98147283 127858515.62477155 60636569.19639963 104137196.89871149 88456163.97299545 PC O-38:7 13337563.630111 8018257.250027536 7336290.344955237 17558952.414109334 5565676.204347916 10944291.603501124 12229625.655228604 19290669.55791225 9595391.845887296 5016473.986110235 4110476.6275022584 2343263.7419463303 5594336.570115047 4550194.9183798805 2095383.76498831 6537422.537020201 3621621.068838201 3412969.252070935 3152999.766490746 1279108.8534877081 4061973.814900066 3111872.9700704995 PC O-40:4 28717255.70098611 16562115.754199546 20025628.88749985 33677353.94962275 20440844.275432263 27106455.856473286 19773461.817206316 22351575.73285788 20385873.62955122 8978886.627533846 11746921.79884644 11799291.50690185 24025512.07867291 14598760.648274966 11624490.908226985 13495158.316410162 14137958.522323966 12754858.869425153 13797036.88554771 7753658.475574248 12178603.299938701 10778229.319992673 PC O-40:5_1 102046798.39394996 44162282.64040772 53506082.22337001 81723867.22010653 41964208.96897875 85761826.79373045 55976577.30495588 58903780.47467359 49955561.55913723 26344360.132683396 39666038.04877898 33902940.1835558 41167764.357915916 41008765.33110291 46542316.37336379 59728210.80926981 51513516.79345398 42397455.076500714 51308575.96767685 33344461.52764423 41581423.24660987 52139919.47189118 PC O-40:5_2 28710054.877965275 16265839.96446379 16260643.428933727 31843415.274148215 17973114.617265288 26654348.560999516 18629692.924909145 21462359.923489258 16771480.185273845 9982646.517812284 13887154.069097096 12298075.46149043 19208950.822462585 14638340.689801555 15642845.040066887 19277017.346368704 18462151.4793308 16755800.083312849 17906714.072852015 13542058.682752816 13912504.745470433 18753635.12096975 PC O-40:6 112841179.22450061 49771527.23227616 138126072.70117718 102614190.63831638 88394149.81708583 97576396.59666885 69329105.68877111 74747682.45261149 73057142.72680107 49397645.00072505 60128275.12674902 52220532.72468964 64513413.83984205 45838039.95713487 59854414.84276363 72281020.90770215 88852264.4175367 67453676.12207155 78663604.56857118 45819878.07233295 66871884.060622804 56619441.30480534 PC O-40:7_1 361144085.69920987 220566580.67398167 185284232.83404565 296475583.7647298 146255456.3977555 249744639.39698285 219591120.67085382 219355553.08761093 192960304.46175385 113542372.81729002 138460610.02484602 133905933.09102392 158445642.84413403 171738209.55284342 186910215.7965288 244398656.11864457 187281841.67282492 155923241.52529645 177316567.19830784 105054740.64509554 175064980.8135959 156383603.60857204 PC O-40:7_2 20822597.484458383 9920506.752480913 9712788.451372905 20836092.493278395 11888942.853156433 16743221.150812361 14461810.990891434 11475041.751897307 14852392.471246973 6687511.23367212 10604545.193387767 8230752.205469945 8741336.95207046 9787795.997413618 14929995.163024679 19990229.69088138 13938832.459026102 10828865.549376423 13315702.715865476 8203565.355779721 11649888.188114017 11678031.135754405 PC O-40:8 84171563.79137433 57998282.22152433 54531050.113094695 77866526.80615 40298725.72234736 60558766.01227536 60081614.64823357 47707392.34233319 48998039.10307004 29231962.75373923 28861139.261013653 28772891.474510923 38566945.989309296 42992072.32855614 47334253.00177777 57660829.85977271 39740022.922839776 38475050.60472298 39031295.59309967 25616444.486704387 43065941.56523687 35866757.95182075 PC O-42:5 25504125.274487782 13443205.576683247 16274989.650273 27623552.359669518 16294165.018927177 26979361.86115057 12975984.909079412 20126324.76183091 13190111.387770044 6716368.241896145 9493799.549724717 9455817.712957818 17246189.228338476 13147882.804510484 12027291.137367984 12021136.520962927 13538288.960536534 12304540.589869287 15270345.157633156 6935560.594677296 12734393.951757956 10748102.837256638 PC O-42:6 14357379.855755193 6128204.41369909 7658112.96985204 13844551.956156803 8024327.217554158 13656208.103011122 6693637.019187386 8973682.075786026 7137436.145686207 3227782.806924492 4738660.058883425 3789358.1425745897 6317258.58734782 4866633.435596334 6744964.658796424 7699668.692966348 7797152.246603635 7142248.175793982 7919182.697116507 3839999.8104075473 6754104.678059895 5292990.059822022 PC O-42:8 9772896.087418184 4490300.552778385 4519416.374177033 7085644.656937224 3917103.7309363224 6112305.831450011 5572941.239211362 5345192.160132191 5230898.49412725 2282247.844913004 3478112.195735148 2118282.5449601403 3437265.860361977 3869418.00671877 4959289.435592485 6468956.234879928 4227972.339626691 4065386.933705107 4337269.519634372 2758207.7318006675 4430333.905066161 4008170.314605984 PE 16:0/16:1 15358730.461503152 13083819.94234442 7856425.446314309 8146266.87682278 9019311.506695483 12913599.870236928 17113146.76318337 11697474.192520695 13472033.692650786 9514983.309685588 13641343.313448953 11558347.441719206 9040958.155622508 13172243.7890079 21776722.50127995 25346016.94196701 15496549.33120077 17326849.22297934 15730816.360305222 10282564.581489323 20404808.397303183 26105412.801869527 PE 17:0/17:1 279436273.95249915 244204929.7959352 258022661.51329118 240936624.3311011 148474776.6162313 211792557.93018433 281666812.02465105 294981521.58447367 302126137.43057084 220468411.507074 140771656.5900386 124605298.61553028 192974179.85712487 125928052.19457707 231342115.43771374 267165814.98480916 237725718.73143047 161935827.0709365 191538352.56184334 175836002.6112151 201288437.2630309 309487429.5337555 PE 17:1/17:1 356405731.886641 230278013.7278268 149407082.33684614 157899655.6079113 136943634.86322692 238479813.34969255 254468863.29320505 203763123.48412403 216410050.1079439 140813877.13157263 237511456.336099 237511883.23265144 131282398.65427834 178885623.4688289 243176081.8725049 298999234.2631038 328232217.88518256 195590316.52253136 180863095.90558735 175309164.30502537 309295803.03412503 335053859.3067056 PE 18:0/18:1 220926000.61877483 120713603.00547808 151822379.68782803 157613509.47341082 111399336.64051174 197942129.75706512 151585981.3573598 180272370.88624793 151284361.58263958 111036489.09836662 128403132.78874183 93004609.14224075 115226196.45701581 118611652.08409359 129241536.34627262 193771406.5673659 178775585.22431955 149748389.17673123 147832137.4340661 74575657.36523306 136357609.58242136 147994455.09868258 PE 18:0/20:5 775996309.2311072 608210543.7021952 541700571.2124814 443367849.24039716 545030576.53512 525732245.6145842 476104090.15260583 560791554.4177 467520897.56757 532878680.18382 388342267.70601565 326924054.43581045 380518846.1392279 341668084.3034571 505832618.78200436 634046785.3122859 569594455.0694149 417074054.21668345 499220440.32328427 426781797.3093681 388824814.50957227 570078130.475617 PE 18:1/18:1 470948380.0962556 253098745.28090912 306840337.0555636 289249516.51078475 206668213.40311328 330394658.5288133 368327924.1733936 357157768.15424913 320475609.94514716 197709069.68052998 221404125.96779487 177545258.49081412 221164136.39974323 224603951.75694716 325332196.74693525 352504148.25486314 288643092.17613226 257229981.36480933 227507026.56349462 203967761.13117245 279437571.1097615 335152949.6242403 PE 18:1/20:5 632445241.128126 442099839.02187526 463492535.21007705 404512578.6901318 420799559.8031316 440637797.817661 514302465.50412637 526469054.176821 447428481.39298093 456526185.3134603 372560261.9227872 293877825.80877036 352408486.9705388 389818331.6064969 465430462.8924192 560336878.7216289 480979516.9794919 402691153.5701118 445088365.12173367 278668020.4266371 417090742.5288626 580004867.0857697 PE 18:2/18:2 949244970.4071137 576096255.9094483 626809314.7126361 526369310.6746617 523087745.9519907 661214501.9677693 700239897.1825937 621007820.2049116 635441599.9000801 510647297.1900491 517467833.08673406 417912048.0743907 464177867.5261444 500681074.6765012 686332010.1820121 842589828.4223496 668276493.1547589 563592921.6804855 589349473.6273457 387310368.77402085 677610004.6488549 846501676.8813651 PE 18:2/20:5 55519468.645126656 28476433.83287451 40619707.65725525 63509888.110697135 30867523.772995096 52054638.117539436 26513577.228182074 50918059.33492065 38018270.66631108 14886649.554920394 28611563.003750797 24872087.785851542 34977284.5687612 29451319.37951912 27617300.561253887 34591937.00648929 27782892.39519095 26840031.623135448 34713019.652678154 25258825.54986154 27142275.86569172 25861033.362229563 PE 19:0/20:4 19980290.105674457 12063450.50075743 11317237.530269468 14857998.771103175 10815768.574215941 14817582.786662066 11115631.029292902 11393859.205291014 9892035.23305182 6260031.243233038 10469325.807886964 4738458.494632849 9586435.369507615 6878260.462803622 8784455.769711608 10989832.542606527 10192150.692577267 8987948.2892609 10281535.361774068 7681378.120946366 10756151.41676931 8199862.841532984 PE 19:1/20:5 17761958.089128096 14639817.032781035 12462378.945514655 14163979.510510175 9325210.820085628 11149036.775665883 12073849.109343918 11012180.434616612 11228956.589230914 9579417.13611836 7908369.966028196 5918608.440250652 7972848.309501292 9207674.824128557 8449182.654706232 11354615.671375563 8276155.32093637 7944947.822219757 9183799.709708901 5377801.351663474 11158914.304905485 10250786.639667049 PE 19:2/19:2 160159737.96519083 100879754.17913786 102660643.3089903 92083283.46677233 107672558.08164902 124487874.9627379 100114121.72580716 115437658.2700663 100855566.16307335 100384753.478798 94955579.05669841 69181534.15980461 84028173.80700682 80359485.82245132 101417809.68465854 130082722.1286302 116016562.40489703 97311052.123587 106525342.11018021 75436063.18649551 92181929.22105579 129997199.89324537 PE 20:2/20:2 381467325.25627613 219251438.24866277 251080395.56662995 281670117.42681 234206336.73811778 315594835.9815165 257668662.34014696 270526290.8431106 258059634.18201128 163338299.47792223 229464846.5496843 159159963.3665788 210619642.8097617 184776055.67039433 207192953.89073786 256813990.0874413 246047641.98808655 222990784.51619267 231035500.0449965 201598770.75556937 195029977.9453452 259876110.0102649 PE 20:2/20:3 222310152.2690258 131642298.74008015 138957290.7168288 146239568.3632324 92954327.42605783 179640994.22450218 148442682.02896023 150300468.78986 154868351.0862691 102780164.7984509 116744597.58459564 112950133.52552581 114297733.69517426 118291297.78349027 148898913.92534834 180000586.14836314 173902904.9076067 140646907.73956066 144541532.26985306 107496644.4369009 130299991.07831949 169636530.0450734 PE 20:3/20:4 436489755.6026126 362419202.9025264 335602131.68978226 217010719.49290618 267471884.78666562 252157110.7391889 259532427.08583337 296864504.88476646 266966554.11700675 409409069.4610028 209196052.82219958 162762179.98893443 195214605.19640005 200968075.06379056 237847414.8126499 283491601.4542274 268607220.2799842 201408620.1662969 252153464.51660636 158921445.8247905 227804072.59060103 254723322.67324376 PE 20:4/20:4 82124912.99622907 58258388.37876008 56922875.408893764 26476943.589153472 39184206.04232443 38201939.757302605 46989180.19811412 40577971.22336535 49171084.59128054 62102333.46151846 34052593.368515655 27461725.150360264 31976431.647310767 37742802.624369964 45805655.72629772 56552788.438609876 34376101.230363026 32491023.97953609 32770333.463272054 17442488.426369607 50535087.556884095 38771641.333518155 PE 20:4/22:6 22762576.291143246 19296790.568688247 19851602.03261786 6613301.3185544675 11117914.8196267 8432104.669690587 14036768.105347319 7829198.231027267 15360277.620086202 16467229.977178242 7976083.161192437 6202106.506579441 6377345.114118013 10075152.226602413 13061311.116958527 13923791.139597915 7100505.909721867 6284201.38187923 7091812.5736031635 5789163.146586896 12679508.64590708 16134458.921182066 PE O-14:1/20:4 8675648.918033704 4927755.119572709 5682683.985940792 6787764.077418744 5636748.801815379 7205317.473106834 7789998.38909801 7911021.8849001285 6684982.641478424 3459251.566655636 5627220.9862298835 3972031.3950240635 4992408.023994178 5222986.8665832 5449175.771183017 7055644.3702370925 5152843.192447029 5432821.587774982 4728698.291230946 3161683.2736956105 6173383.023339802 5080483.497742638 PE O-16:1/18:2 119074695.4777585 50714348.62531264 66181221.548619926 87665272.07626563 44607307.04807496 80450075.72431462 74010548.89380795 74177698.00638053 70933398.4352111 41345216.24593319 45746538.79138206 43851339.08730926 46236358.61366632 45436522.8381814 60201630.20575458 79444314.23394635 63059439.95160877 53559677.15050865 57683845.53164359 33184873.17026325 58537551.59285714 58248673.85142116 PE O-16:1/20:4 2646576284.865016 1414377289.5757062 1392978836.7868707 2074634360.7317665 1199484741.4297924 1851911305.8030748 1687272702.552604 1843495987.7261915 1558722276.509352 1059767977.0000567 1097289703.2057173 952792859.9275393 1227592490.9225228 1259413261.4734814 1413220197.7175672 1773517862.1885757 1401021532.8594987 1201969831.1913147 1258403336.8214664 840742427.2764401 1275257915.0645833 1513083359.1090498 PE O-16:1/22:4 544308244.7598331 276728751.82834214 327488608.05564845 433390490.29408056 285196616.7013014 480771542.1946884 350682590.0753788 410797319.36033833 313522172.6577332 221172740.5281326 316159377.9700381 225455218.60896522 302848501.97914547 246495931.6610919 284558881.0530364 353990520.4953976 352305723.11606264 310654608.3293555 342387662.48785526 238897585.90696856 276754327.391797 356664517.0406921 PE O-16:1/22:5 85017837.67858234 50568910.34597286 54441668.637696184 63725758.951846555 60356258.75150024 56854863.38060325 55899368.676926844 57755006.28343245 44426705.73261985 33906783.74772338 40309628.09490627 24013914.523222677 42772622.79323098 34111189.18355248 35887996.83144615 46405078.6282537 45733707.24636631 42578222.04353731 43046187.57018317 30304711.41518076 37058814.917110175 51046281.06682527 PE O-16:1/22:6 1240700551.880304 749663361.2112429 666908689.7813793 997538136.9681638 661447439.9882282 997726812.5312345 912465688.5964857 959310864.5493046 776059076.2744584 563197687.6120448 679279418.7327008 559704190.663782 718950280.0463201 638929557.0703449 781713407.0104138 961031692.0692581 882075816.363218 729983693.0321548 743863918.7082884 527166050.48252046 697286289.9590697 858802338.6410192 PE O-18:1/18:2 67563585.00450653 27345176.83800427 38386845.3534132 55732099.865401715 24866455.33048828 38794150.51210071 30685596.506642252 29774082.585009046 33725406.06979727 18206911.76900741 19225393.87592925 17219918.82806909 24868854.577527534 22867185.150851466 24966949.738418598 32906095.637753766 20220031.709449194 20692882.891876422 21141004.602930773 14780913.158174938 23628862.411256853 24033431.611379452 PE O-18:1/20:4 854511297.9799529 455154020.66177416 521312904.8944047 694980501.05908 417251202.51995134 605698720.6311623 503974470.9304763 580281416.6695006 526608416.47327876 320401707.62984663 351643232.6242017 283257958.2261554 437536358.8097716 400449745.5095343 386397073.82458 493023887.42293954 411675234.5509944 359939330.84645474 363639033.4777033 287514509.5629577 370757742.4627244 489514189.3561996 PE O-18:1/22:4 178020892.02918765 93607323.52259782 117800800.57856202 154609607.0851304 110207062.59196338 164324132.51091358 116365182.35897018 129639989.38480335 108541789.06841473 75779291.35614796 108969148.67294145 63618931.14452065 107444167.6486418 85936564.98063742 80312393.96418813 107676871.24599478 112101837.43787691 102262230.53136761 104654912.8318899 74345423.47507545 80322758.4262483 103976533.94312398 PE O-18:2/22:6 378644434.2354511 238773229.6223849 217450070.02852118 268316549.9482755 177425119.17818978 271903444.15328526 299953433.67063195 306758618.494765 210334042.6852396 186534692.9058741 188253613.14214584 172166488.80069447 173623827.441228 183146213.5615879 233379498.3537255 352925295.99621266 279968370.5786738 206156526.6891839 245307882.93147922 165111437.67554757 225911299.68102115 277223864.29605216 PE O-18:3/20:4 169724631.32641727 115694219.64816636 133952976.36458057 132745853.60348555 76938061.47414228 121543219.23587836 127490590.54276612 149458119.31846213 103070851.64245486 84357919.54102421 74854084.13949102 58801823.41993869 70855057.56879386 86400617.36713828 94227577.11119074 119340798.48068489 88949602.75526533 85143467.39811091 80059334.40634349 57883334.81172538 80203755.68783468 87446002.37124158 PE O-18:3/22:6 56760514.475859 35725802.66833965 31916098.388091035 38503697.02115641 23546723.87322948 36141420.1823097 40725819.103923015 37517613.75132872 32720557.2207043 24891317.921990827 24361591.690328512 18790821.7946231 25246858.592544347 24215851.177283015 30962349.285652466 40173742.153402805 29755944.023208477 26834823.36926566 26044137.263652824 17333495.926144432 31875863.45969423 28828370.162769847 PI 16:0/20:4 72718442.2917104 61107483.94788738 90652356.55943656 36873303.799814455 51008999.22303927 56987075.303590424 60738577.732764505 60443157.331986874 49508987.7345897 43569565.56710312 49709733.58331345 44440761.8986472 37301286.83952927 56971077.873329185 64471316.80292836 62395091.62500353 49688186.01486572 42903718.533785276 56470868.57201119 62983006.59573123 34486089.88575253 60556486.81372391 PI 18:1/20:4 110531811.60259223 62150232.002869084 86455199.48402065 40508038.22544736 52757724.48652911 50919028.47657103 56960574.013078816 60176923.61676101 56896243.649008 45689146.85109138 50945558.93813182 40529530.71437853 31337001.206827156 65169432.96394315 78521485.09225023 85590803.87131745 50282780.91900681 42261424.50758852 56640067.42499895 52991538.71828576 46698589.62093197 62861830.56128779 PS 16:0/22:4 15705196.460367676 9487768.760148775 13545796.971130082 4146166.038226524 5866452.24316769 6836226.929941302 7514907.301474832 6755973.840093065 7784769.927331003 8755305.928856928 5627953.199249551 5577279.02657429 4954341.784248758 11107055.392347865 12072624.15038399 9773145.969134605 6566945.728083898 5716915.946619717 6965347.297497981 3535226.745204261 8171107.188981056 5322552.18885885 PS 17:1/17:1 19774291.639539536 12418008.284155201 18597037.177307636 9641012.777935471 6921330.353821689 9746744.091170903 17103029.959917337 10554198.799734967 12072234.432706382 6947258.034906865 9236472.046275161 9103696.72715373 6476082.920749497 17470785.31058247 20007618.82642233 15823306.193313615 9032763.169582834 8017865.672740202 9917631.343430366 10454869.294089472 12902072.613286803 16819940.64128065 PS 18:1/18:1 218306023.43414477 119838134.40345217 178678239.129854 119367792.52443165 91256713.70087473 136732793.00213692 148585207.94323027 143873192.94749525 131145619.14018542 75162135.41513142 104399242.28413245 92095196.17867063 89384510.9321307 148767858.44279134 155454106.25566283 135494845.75626218 106983281.24305163 96024254.03491841 103318660.38940024 96201004.21384473 101596969.51622286 110010281.86393215 PS 18:1/18:2 8254768.169837795 3990344.498981417 7086462.214687883 2953568.263918562 1812209.6603788477 3321897.221015018 5391424.209729813 3553415.640068731 4438606.970776578 2958716.345487349 3793784.2930724355 2935718.8623617585 2538514.880252342 4814241.5188462 7574233.108701712 4097699.7968396316 4063069.647297383 3076824.6954397014 3720663.802059465 4126336.4608406504 5293419.280578018 5443509.965638443 PS 18:1/20:5 55106549.82600113 37692328.92877483 50243376.86633586 15397122.0062944 27062811.41179312 19077398.93221783 29561485.49933707 21860792.55884162 24869106.48351877 36423926.567536995 20663411.799952094 20009947.564145904 18123592.616821934 31287918.85547818 38948286.900945105 30566636.919250708 19899886.299654238 15620717.868698353 20024767.929654863 20753018.15307403 22047280.814524006 30128202.171138257 PS 18:2/18:2 82381170.63939789 61046423.831562184 83138508.57214251 28656197.82828037 41369810.8285117 35927864.61578229 45321154.4538131 38994681.56390278 41052420.57585499 44944063.99370576 30968492.760619562 29175708.822540656 26098021.754495554 50185105.9849401 55426505.58406375 39734540.53335516 30338705.60594838 23071870.87355798 31642661.41057208 31611451.96887433 30363573.96001375 50127112.724118106 PS 18:2/19:2 123625886.98515156 84405023.63635677 85535085.3517914 98727250.74386948 59136748.464214124 80510032.40487704 75993155.10061924 65895835.939983286 66983099.173070826 41519621.80798828 43279440.69252559 38769817.02646819 52432011.98783463 61795779.21995205 68291914.97945489 75700796.4109398 54582893.16295364 50827814.51139691 55436204.18141938 35649297.586140156 57472041.06688654 45945581.0285451 PS 19:0/20:5 9058009.456243802 13117580.69881427 10578375.19382392 5906230.207945113 3831362.619912111 5525617.358123859 6648967.588085704 4418360.1166681545 4551664.508500482 5537123.352323779 3176625.817661586 3081562.390271286 3002503.1503309743 6071123.738042425 6126615.985497418 6136977.044483797 5609193.56022826 3629986.6130971787 3761078.4242319744 3508161.0696053277 4561737.711571535 4923029.092631772 PS 19:1/19:2 102776181.89729372 53054756.06326847 80720247.0598092 59721880.061731026 40044313.796506144 64742108.44240491 59235866.36071644 64148237.310672514 57088268.881345846 41541659.03208465 59215549.685377374 47126552.80656474 46699343.32412962 59195123.668162555 73266823.75341637 64423850.2382659 67023038.31666612 53024828.1846433 57617923.00825564 56569299.46078514 47479964.4620745 60263931.74021704 PS 19:2/19:2 820129878.8105006 436331679.5284488 613919156.1414986 475205504.23762625 461389221.9931976 486381884.0103349 396583569.88469607 533421703.6649914 405164137.8776309 322612388.495809 441815230.87303406 302394697.35914975 375272074.58229727 442125706.57033384 474424818.13934916 414079102.2547709 405633817.62594134 357367670.84926397 425547314.3342985 353338805.9580631 325643174.9281224 331177438.3212683 PS 20:2/20:2 232286366.1654828 118495088.53454553 158919711.55590972 153071521.54740033 130279726.50909235 170207012.29449296 121809160.36252058 162339091.5619103 117646596.07160932 82841267.38102928 143050231.29831952 92347724.74165739 120627554.72658768 125384528.3879829 130372158.76687947 115275671.99827006 141329159.570889 123344153.49967746 132983666.78216837 99526112.73634025 96446216.80746083 95481935.94772805 PS 20:2/20:3 144028333.75464392 81611885.36922333 103715097.82177593 88564688.13556106 63278201.32165309 117481396.87565537 83737177.74638896 101102799.63203716 80772169.739393875 57377061.120624825 79373692.32669783 78274816.5834715 79041098.29060711 88672860.21050577 105234090.8637433 90659377.04752097 106297471.55580452 76356288.1835083 86129689.47908644 75903403.28338104 69784523.12191015 82856179.74191265 PS 20:3/20:3 494584433.6552402 326577742.62653846 356154303.5864627 291737140.9187327 262865445.2998573 338088993.95618755 268119947.47826847 305193822.9070071 264716814.40702492 222563283.12294564 292267061.93751603 241363701.8397646 260322196.93282932 286294237.72998625 303662263.3059798 250409891.31361267 298031281.91462183 251504283.53425002 273016402.3101905 228239607.70352367 212254691.78667432 246796976.27182823 SM 8:0;2O/26:0 214577083.263825 105170450.15963645 146337087.61695156 113871574.31381506 87640168.0652413 119352650.3420664 109923306.16949366 97546174.92996016 118509277.00382577 91034485.61300153 88936899.80203381 56046631.1621962 74074610.89416273 80471374.83635065 83993944.41990364 119405389.01505926 98704562.97407494 80559902.08814444 81315613.6299452 52382287.00033917 85836707.04599826 99749089.67115556 SM 8:0;2O/28:0 9087272.555343978 4965318.771824624 5868143.646072007 6051015.551748314 4829293.7089989465 7202978.811475997 6277036.786364611 6448952.77453344 6895313.637682525 4658187.903802177 5078889.397895385 3408522.3328914028 4419037.026758909 4562221.662261408 4662318.701720766 6463336.057245163 5212460.482686644 4926764.967217846 4040086.677060956 3213679.36405281 4287760.443611415 5859606.101824732 SM 8:0;2O/32:0 5535394.29897333 5451088.6193747595 6163852.988098052 3826507.265082366 4791172.671252202 2367271.349389444 4579422.522724005 4481165.280025481 5853923.621133709 6809621.641447619 5220948.704707662 3240170.1723360824 1817621.4132287996 3693171.684931139 2427216.87619695 4219077.789071339 3136218.979867639 3746499.587731933 3122511.79407252 3318300.474971128 2557975.0161680207 4456251.0705927815 SM 8:1;2O/24:0 4719978.202052738 2613056.388386597 2427817.5289108916 3700233.601040844 2227625.1923267217 3912929.3276876383 2784637.596079661 2355017.6874164017 1984892.8719242197 2004626.7435349666 1775172.6363500683 1947153.9732408084 1948621.3262602692 2636419.8523908393 2616793.278154657 2628525.0689753885 2439758.1177122006 1653085.5108543388 1762333.4830932904 2418161.443977214 2815525.3580706064 3944286.7706241007 SM 8:1;2O/25:0 32296407.217570223 14921206.47724041 14618116.428046342 29623956.125211366 14800946.48632658 22646227.798691284 14556758.287899405 16426727.89099852 13661717.64777477 11535551.73016667 11244463.036383407 11243713.680054113 13091553.415305858 14368551.630323192 13344924.17359612 14655766.97042066 12567501.516847728 9852080.212424034 11309665.544501057 9625829.987218123 13989453.49131745 15925161.623847842 SM 8:1;2O/26:0 4520130022.33505 2186730168.614614 2372165229.7360134 3585713441.8462625 1875265425.9770122 3371629052.3767333 2495722229.5476165 2859049638.913804 2563542987.63913 1677661517.221775 1817146052.9072127 1528088834.2586644 2108104648.6806834 2128195301.6089432 2205886808.889711 2715795575.763918 2189466394.8414774 1972868513.7803295 1988369613.909924 1260568092.2158458 2265810128.006953 2315746902.926991 SM 8:1;2O/26:1 40147380.33218743 21271052.752526812 21228927.973354757 29562836.54438226 12508472.945823843 27738720.4897849 22615007.070011273 21384722.020315047 21575355.327784177 16043229.579862023 13356348.270450953 12556240.010089578 14914129.031763257 21516948.76454378 21634950.81119899 27067657.420254398 15075608.559318308 13423911.399472576 12919665.92621591 10764765.612249715 18380067.75524801 28725864.338991553 SM 8:1;2O/28:0 514977694.06317735 216319062.4873754 207414168.742227 410975514.00823355 198889647.81167635 485998601.5140282 294003968.35937274 429182170.25395435 294708757.6129805 166432375.13655734 259650216.0565787 187364387.42872503 263829918.4320958 243512857.45517954 260239539.66943607 374207132.5518323 308632716.1873101 265136811.30892646 233435606.21419817 164892340.80167094 255502129.99216598 296136203.96044576 SM 8:1;2O/28:1 23232055.06771787 10431255.63461925 10649075.372951662 15220526.16537888 5938768.195221631 16589548.440056665 10097956.161578538 15128059.234799013 11341882.929548105 7475288.285505783 8869823.071842248 7212428.075065577 10516880.416574283 10411380.269074034 10658052.269021397 16888189.818994045 10056385.917550439 7781399.622696599 8807724.198494688 5413868.644515459 10683454.268393407 10349022.926506778 SM 8:1;2O/30:0 131326081.06665935 61535776.86446517 59301659.30644099 112068313.87713572 57892485.46364186 120564357.95483045 85696124.1787424 107567562.3013614 83259169.78960606 50636345.21295932 72883541.18179628 49478560.2763674 69496705.03925799 67115103.11654644 63269249.566677645 87199427.0819286 80258959.25816964 74827851.75252287 68088972.15881398 60249994.20970808 65226756.99319041 75391496.52213293 SM 8:1;2O/32:1 47537723.35630262 20103340.61312423 22374477.49679333 36009337.40627913 18587386.27181278 39440272.735498525 27794895.766703203 26229615.38730984 22006774.375579644 17120452.63557538 18709780.47520748 18467973.415555224 20580196.95781863 22101613.559145264 24659893.324975852 32644522.407604747 30009997.236599416 24105456.934009444 22114905.015840963 18316916.80332284 28357281.167658184 36376625.83793228 SM 8:1;2O/32:2 35770827.59381565 12311686.16108993 15443445.212148365 24357324.54545324 11771917.399442539 28046462.19902716 20382790.431433436 17824206.720864 19998347.597020563 11090111.74758652 15086729.947291488 12231183.855991459 14930161.321760602 15543755.695190128 19859141.31113753 28196918.36823048 23046500.367972374 18968591.668305844 17349310.268905643 12532821.271398798 22981573.07248082 18056178.26626576 SM 8:1;2O/33:0 67435927.46224445 32662260.62081173 29409432.874712512 54602601.51719886 33012326.047777556 55401011.117978804 34770472.31776045 50393886.23766734 40713820.57115333 31721333.757975012 44260734.89121236 25587965.45247484 35266513.720920056 35872071.0262213 34138305.99827953 44718457.24044582 45637051.541029386 45918275.42518087 42621542.43549553 28967691.921328045 48012991.01593893 27823837.30033199 SM 8:1;2O/34:0 246681891.74054587 144630581.85526443 150933999.1072609 170975883.12543973 137236240.33620042 160677008.53130928 166109285.9861191 204481349.42646244 184219414.13303968 169715734.1318694 198181268.73095715 128038691.96825828 142547381.3883333 126326791.9289697 137236479.30694216 177409412.1215012 166269007.88523263 169555109.82965568 148441663.51510733 131409871.05072209 148730658.82753238 132965564.23972085 SM 8:1;2O/34:2 625587714.037704 259385192.258329 300478889.1870887 451466068.1502856 261920670.6472043 454959247.528775 345798641.5424488 343116330.1583065 339510964.2418277 216781799.17161745 273625012.7523184 230108945.4804646 274686898.41646826 250938325.4278543 325053146.43263626 428967414.2793525 369413373.4576629 332733428.3869887 308537314.997591 251281067.86731982 330112312.57941985 329231623.2174381 SM 9:1;2O/32:1 31662921.960418817 12619998.717179568 12952423.482038349 26982190.482671287 13115250.512586545 24714146.786078826 15873422.14889711 16286376.726050299 14249993.116930367 11080780.559572961 13691653.936088795 11384170.65572547 15092326.996967796 14821016.00164315 15474746.819160849 18932375.227845587 17314927.66262418 15344621.454680847 16204494.941753276 10527102.725434314 16817229.52457397 16990904.3385441 LPE O 18:0 11461460.353932299 7343224.725772589 9139917.85383705 8896631.324271068 5939327.075106255 6923761.907638294 9618114.549307045 7600707.586123045 9580992.391224403 5342433.2027828 4467475.208648608 3116596.295741456 5056049.498577458 5311590.120061037 4511942.584224237 9181739.666540608 4214543.554703168 3982038.252700899 4104794.544578711 3060992.220506975 4543896.154931955 5807280.122397556 PC 36:5 16850088.752842825 9166563.511785738 11041539.271292014 19262384.157619357 7707195.37294013 10618096.486402607 11498887.676140886 16710818.263730222 11742189.543267459 6554650.520299916 6826398.318321008 4060834.046303976 8575071.307261987 8519635.933033545 9340905.069129907 12229329.246617164 9205100.88138471 6688124.42443499 8010388.495142729 3761192.7964752545 6610489.084928364 8157752.826732631 PC 42:4 11590919.237837082 8085090.254512408 9941014.128517283 8798412.938198103 5954476.314387645 7002439.751856342 9001827.476314124 8127079.990444027 7479883.994638085 4830443.608848837 5682880.82317004 2942037.6408467507 5971807.7272945745 4514612.910663381 2974538.6166336695 4078149.4233810627 5609186.04208242 4790981.817854578 5872901.278933345 2915920.527172873 3977625.0197675754 4508272.335719596 PC O 44:5 8797052.800025525 5507747.399794098 4655853.478644131 9227321.59996979 5312819.341447736 7097248.026034813 5853682.236075623 5039749.632741689 6302778.532678671 2195330.547066354 3712856.1007328825 3905468.8786453083 5420777.4146473445 4210103.920067789 5106851.727414164 5679352.460481628 5742083.330176908 5103499.330491567 5387624.913492748 3358743.197977705 5073379.715486442 4402448.787212328 PE 43:4 31843403.29692109 20573730.7607789 28770928.074140012 27682400.1863663 17720610.305690832 25064903.837394767 25935756.868456107 24748533.26136023 31562606.22424994 15395704.367470246 19188593.129758578 13469749.665265713 16147876.544696707 11472636.386455126 12315401.83077657 12957652.775819669 20069472.32234013 16421724.720146677 23193805.540613934 9488654.362566125 15888677.544589862 12890983.600587135 PS 38:4 12977044.332587032 6956221.386029323 9951637.664570201 5310629.73401446 2412469.975363271 6166279.000207913 5424324.391956255 6529303.228665029 6676834.008859315 4632529.792763268 5396451.2142355945 5407931.498293982 3829236.629317956 8246156.576586767 12548394.517036293 8646018.07972486 5873733.600543579 4007840.860100839 5687099.571440853 4387518.922795505 7759749.822964036 5708584.836028738 SM 35:1 28052249.66222979 10763731.864537116 10223590.621139884 21574856.519023106 10011796.13908227 21082863.102045953 12311784.80275132 15344579.811926786 12471089.334481573 6893331.1746695805 10890766.49227197 7174045.730519929 11145083.899007035 10585217.082842685 12788579.397002785 14123205.450670486 12317402.601234097 11126981.776482187 10558705.737835912 6789495.719305714 13200088.564047895 9467798.492164232 8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid 5408933.7746782545 2354620.88896181 2064483.1360840048 4084887.9694293854 1216645.7090007875 17161391.52978984 1947928.1581776317 1924559.9114760775 1998690.9793770139 130090.17961071453 1346083.4974414627 1682666.0367364904 3082527.937911032 523979.9462720864 5425043.758139309 1999893.7737480013 19291636.261369213 1984916.4746179692 2320542.7037024386 6894707.586744386 6391007.645133538 4274812.715602005 Docosapentaenoic acid methyl ester 9908131.691763854 6329377.174416231 5584841.905772101 6568859.284361503 4764895.9404433975 2979443.0030790404 7470892.919856491 1669759.8913002943 4523968.012537681 815304.3663401685 519106.8546654275 2883436.050808323 4434904.587232546 3024636.3946638373 2045348.1531317113 3096541.417589401 1347280.3953497147 1670088.7404860097 1690397.5241030024 1126217.122927537 1627666.1248389075 4545115.275823107 D-Sphingosine 34581600.10656459 17004974.198387705 18341561.396336436 35448622.57259586 12557060.957683107 18094849.384758886 21998889.079396248 18258275.060760923 21849692.71963093 12836284.413597448 11308375.98507898 10720379.159348369 14298995.814753635 16556494.618447317 17537714.165782385 20502433.110028822 12213893.420514476 11010655.511732368 10937769.558998173 8628531.060348282 14399987.688240297 19133628.950105034 Eicosapentaenoic acid methyl ester 31336248.169761427 23463169.55184265 20326154.25169255 15851020.652423188 16452551.987039194 7037312.353941254 17915663.593754686 4697527.926751983 20139165.131783657 1582445.9354910466 3196008.0237825545 10865551.810017085 14118802.897857318 12441796.586987099 6472999.774496331 8115325.36391485 5548091.755150422 5729556.909866941 4119455.3302840414 3580471.432905452 4778910.757564148 10487625.974984014 HexCer 18:1;2O/16:0 312887293.5008494 173410530.74886736 225504698.3652465 175162664.57182875 127038626.92747267 182152426.61369115 175759026.8984784 139528559.64108446 197712886.41091684 151547144.31944284 124099670.7647154 103655132.41806744 115443998.89008243 165084686.6333211 156201268.24288064 192702595.96613172 150495477.9620701 122874102.25977339 127312995.47814861 69526365.04810002 162276201.6405406 170096364.62746245 HexCer 18:1;2O/22:0 63666842.952205315 50554382.141468585 56873375.77842333 59005883.34250316 51974470.14351355 53159059.885936074 57895136.433381386 56831991.33863084 65222679.185699336 47049669.39166846 43535692.21395343 37110693.570486374 42492776.09872919 47219921.29246876 40732891.66581933 49491082.98561064 50439396.78726969 42626781.23364684 42172541.186558746 35176862.75377429 44504604.188273706 52057929.437814966 HexCer 18:1;2O/24:0 88236485.48887329 75332494.42883597 73811447.59441017 74745594.08318388 74509094.9337468 63156341.1554783 72565601.93277973 72688731.44615096 89804775.86094706 70273214.01211688 59788066.33841283 55022089.708018504 63594547.6890636 62249781.221673846 58275952.75253794 68448145.64707255 70880005.78653163 64533098.15387327 64050721.058162585 53408321.102105975 62708361.1982851 74162472.11641492 HexCer 18:1;2O/24:1 355003023.74561805 230443722.3105588 236076246.18089414 273373778.0254629 179202528.6477644 260540292.81659606 251112138.16874003 204206523.62702882 244998041.53570065 166143096.22845855 149243511.6301892 137807157.78096357 168431272.5122143 185546801.95577756 184768845.88999155 223391198.07224932 200576521.14376548 161324292.65932718 166932708.47660238 129912754.47791487 194174841.6138544 228754686.95319864 HexCer 18:1;2O/24:2 91366416.63410285 38241138.56283794 66878159.42034692 57072623.74976462 27823980.015965246 50459681.66957866 49624940.89694316 41060842.622249246 61845017.697923236 27082131.60401466 36451590.99712438 29502344.71046857 32550376.541116808 42861735.66289408 50739167.34636583 62384519.494260065 36205740.55200305 44199816.543996915 40129211.16982089 16724634.933269095 53418937.852782324 46368289.47960037 Ketamine 7528011299.47582 1471310712.701038 2089141567.2277265 6075282455.066543 5637559861.360783 7488699591.736701 2821844747.9684434 7929398341.342633 1831038547.453903 2716700039.2565813 7513553200.033087 3250331802.4341836 1926290110.4834096 1802314699.8225255 1525662483.5456297 5519817979.632908 7396802725.707021 4640890046.003588 5748752731.400348 2954951505.0724287 777061523.0547284 7265537194.117508 Leucomalachite green 743472.1867899869 5235893.770417852 1904516.0800182899 2615602.073013377 1618019.0980606456 1869063.7287907351 643803.2159504234 904405.7990111121 2414838.638403133 790034.8882860371 215374.25280346826 677601.7310935361 3548827.7540869396 1732860.8474470638 1678958.382473926 1767086.257372049 1053312.0730212692 511536.7170766197 1093745.3005440836 1111801.0378258687 2084679.3764013725 6007343.294610323 SPB 18:0;2O 5648340.953280136 3018179.1457282654 2975808.946622664 3471381.5485631605 1668255.6696647494 2871486.9578245743 4599555.400881084 2144936.684345474 3413070.2447383236 3391590.7385428734 1611936.5320270027 2355064.3868851317 1795597.3430914313 2357190.470556084 2276397.6773775727 2906758.407274659 1881021.7699502641 1616166.1221429098 1671105.39117201 1371663.624154547 1793370.8294028775 2675030.6515808864 Xylazine 907474555.4649235 143741710.71770975 260633891.301558 806493939.5734946 607570235.5833284 607362746.7521346 446135285.0402215 1566658117.7892413 236916009.97641754 376909530.89238554 1101336026.5358515 550360259.1546558 246085719.17564636 309487929.61876297 343032166.1500573 914325004.3949305 851976480.8520325 685633731.9592752 781544148.3397102 215029238.54675648 34111904.4156821 1140155358.065944 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Neutral_masses Retention_time Cer 18:0;2O/16:0 539.52781 10.746 Cer 18:0;2O/24:0 651.65338 15.071 Cer 18:1;2O/16:0 537.51211 9.696 Cer 18:1;2O/18:0 565.54366 12.969 Cer 18:1;2O/20:0_1 593.57495 13.831 Cer 18:1;2O/22:0_1 621.60636 14.409 Cer 18:1;2O/23:0 635.62216 14.668 Cer 18:1;2O/24:0 649.63765 14.91 Cer 18:1;2O/24:1_1 647.62184 14.383 LPC 16:0-SN1 495.33237 1.348 LPC 16:1-SN1 493.31682 1.048 LPC 17:0-SN1 509.3482 1.601 LPC 18:0-SN1 523.36367 1.917 LPC 18:1-SN1 521.34801 1.422 LPC 18:2-SN2 519.33228 1.076 LPC 18:3-SN1 517.31689 0.945 LPC 19:0-SN1 537.37993 2.324 LPC 22:6-SN2 567.33255 1.003 LPC O-16:0 481.3533 1.589 LPC O-18:0 509.38466 2.305 LPC O-18:1 507.36896 1.667 LPE 18:2 477.28547 1.127 LPE 20:4 501.28544 1.091 LPE 22:5 527.30113 1.132 LPE 22:6 525.28542 1.041 PC 14:0/14:0 677.49974 5.243 PC 14:0/15:0 691.51544 5.999 PC 15:0/15:0 705.53096 6.895 PC 15:0/15:1 703.51521 5.427 PC 15:0/16:0 719.54654 7.945 PC 16:0/16:0 733.56177 9.163 PC 16:0/16:1 731.54655 7.239 PC 16:0/17:0 747.5784 10.159 PC 16:0/17:1 745.56238 8.24 PC 16:1/16:1 729.53071 5.764 PC 17:0/17:0 761.59353 12.19 PC 17:0/17:1 759.57755 9.456 PC 17:0/18:1 773.59364 10.925 PC 17:0/18:2 771.57801 8.83 PC 17:0/18:3 769.56258 6.855 PC 17:0/18:4 767.54588 6.368 PC 17:1/17:1 757.56187 7.625 PC 17:1/17:2 755.54657 6.625 PC 17:2/17:2 753.5311 5.55 PC 18:0/18:1 787.60913 12.574 PC 18:0/19:1 801.62498 13.389 PC 18:0/19:2 799.60933 11.744 PC 18:0/20:5 807.57762 7.556 PC 18:1/18:1 785.59336 9.805 PC 18:1/18:2 783.57762 7.881 PC 18:1/20:5 805.56214 6.096 PC 18:2/18:2 781.56191 7.328 PC 18:2/18:3 779.54634 5.751 PC 18:2/19:2 795.57775 8.477 PC 18:3/18:3 777.53096 5.182 PC 19:0/20:4 823.609 11.276 PC 19:1/19:2 811.60912 10.992 PC 19:2/18:3 793.56248 6.635 PC 19:2/19:2 809.59316 9.768 PC 20:0/20:0 845.68759 14.698 PC 20:0/22:5 863.64072 13.009 PC 20:1/20:1 841.65635 13.706 PC 20:1/22:6 859.60777 9.165 PC 20:2/20:2 837.62489 11.247 PC 20:2/20:3 835.60912 9.865 PC 20:2/22:6 857.59268 7.319 PC 20:3/20:3 833.59359 7.406 PC 20:3/20:4 831.5779 7.039 PC 20:4/20:4 829.56209 5.736 PC 20:4/22:6 853.56207 5.388 PC 21:1/21:1 869.68765 14.38 PC 21:1/21:2 867.67235 13.827 PC 21:2/21:2 865.65635 13.455 PC 22:2/22:3 891.672 13.74 PC 22:4/22:4 885.62472 8.976 PC 22:5/22:5 881.59363 6.628 PC 22:6/22:6 877.56232 5.045 PC 8:0/9:0 523.32742 1.336 PC O-18:1 521.34805 1.336 PC O-20:1 549.37959 1.846 PC O-20:2 547.36367 1.506 PC O-20:3 545.34816 1.179 PC O-20:4 543.33234 1.046 PC O-22:4 571.36386 1.308 PC O-24:4 599.39528 1.838 PC O-30:0 691.5518 8.179 PC O-31:0 705.56671 9.429 PC O-32:0 719.58291 10.925 PC O-32:2 715.55173 6.685 PC O-33:1 731.58288 9.71 PC O-34:0 747.61436 13.404 PC O-34:1 745.59845 11.121 PC O-34:2 743.58263 9.056 PC O-36:1 773.62975 13.446 PC O-36:2 771.61439 11.536 PC O-36:3 769.59818 9.229 PC O-36:4 767.5829 8.676 PC O-36:5 765.56728 6.687 PC O-38:4 795.61388 10.647 PC O-38:5 793.59842 8.876 PC O-38:6 791.58365 8.02 PC O-38:7 789.56833 6.821 PC O-40:4 823.64536 13.534 PC O-40:5_1 821.6299 10.905 PC O-40:5_2 821.63007 11.662 PC O-40:6 819.61349 9.191 PC O-40:7_1 817.59866 8.209 PC O-40:7_2 817.59875 7.549 PC O-40:8 815.58307 6.621 PC O-42:5 849.66154 13.518 PC O-42:6 847.64601 12.11 PC O-42:8 843.61458 8.563 PE 16:0/16:1 689.49987 7.725 PE 17:0/17:1 717.53085 10.221 PE 17:1/17:1 715.5153 8.227 PE 18:0/18:1 745.56187 13.217 PE 18:0/20:5 765.53041 8.124 PE 18:1/18:1 743.54633 10.97 PE 18:1/20:5 763.51524 7.33 PE 18:2/18:2 739.51509 7.892 PE 18:2/20:5 761.49947 6.683 PE 19:0/20:4 781.56197 12.126 PE 19:1/20:5 777.53051 8.458 PE 19:2/19:2 767.54653 9.712 PE 20:2/20:2 795.57758 12.841 PE 20:2/20:3 793.56149 10.648 PE 20:3/20:4 789.53006 7.554 PE 20:4/20:4 787.51458 6.091 PE 20:4/22:6 811.51525 5.752 PE O-14:1/20:4 695.48989 6.703 PE O-16:1/18:2 699.52025 9.433 PE O-16:1/20:4 723.52018 8.989 PE O-16:1/22:4 751.55149 11.043 PE O-16:1/22:5 749.53615 10.075 PE O-16:1/22:6 747.52022 8.304 PE O-18:1/18:2 727.55126 12.544 PE O-18:1/20:4 751.55144 11.97 PE O-18:1/22:4 779.5828 13.415 PE O-18:2/22:6 773.53593 8.529 PE O-18:3/20:4 747.52012 7.404 PE O-18:3/22:6 771.52041 6.873 PI 16:0/20:4 858.52579 5.537 PI 18:1/20:4 884.54123 5.702 PS 16:0/22:4 811.5362 6.983 PS 17:1/17:1 759.50471 5.936 PS 18:1/18:1 787.53614 7.856 PS 18:1/18:2 785.5204 6.403 PS 18:1/20:5 807.50464 5.379 PS 18:2/18:2 783.50511 5.745 PS 18:2/19:2 797.51994 6.617 PS 19:0/20:5 823.53609 6.669 PS 19:1/19:2 813.55206 8.477 PS 19:2/19:2 811.53623 7.575 PS 20:2/20:2 839.56737 9.222 PS 20:2/20:3 837.55165 7.663 PS 20:3/20:3 835.53617 7.059 SM 8:0;2O/26:0 704.5834 7.528 SM 8:0;2O/28:0 732.61518 10.088 SM 8:0;2O/32:0 788.67714 13.871 SM 8:1;2O/24:0 674.53632 5.108 SM 8:1;2O/25:0 688.55225 5.865 SM 8:1;2O/26:0 702.56739 6.717 SM 8:1;2O/26:1 700.5522 5.329 SM 8:1;2O/28:0 730.59892 9.044 SM 8:1;2O/28:1 728.58325 7.087 SM 8:1;2O/30:0 758.6304 12.063 SM 8:1;2O/32:1 784.64588 12.072 SM 8:1;2O/32:2 782.6303 9.577 SM 8:1;2O/33:0 800.67716 13.957 SM 8:1;2O/34:0 814.69274 14.231 SM 8:1;2O/34:2 810.6615 12.563 SM 9:1;2O/32:1 798.66189 13.278 LPE O 18:0 465.32199 2.344 PC 36:5 779.54707 6.699 PC 42:4 865.65598 13.764 PC O 44:5 877.6925 14.079 PE 43:4 837.62537 13.009 PS 38:4 811.53709 6.628 SM 35:1 716.58303 7.835 8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid 292.20384 1.026 Docosapentaenoic acid methyl ester 344.27154 1.728 D-Sphingosine 299.28242 1.238 Eicosapentaenoic acid methyl ester 316.24022 1.365 HexCer 18:1;2O/16:0 699.56537 7.581 HexCer 18:1;2O/22:0 783.65885 13.875 HexCer 18:1;2O/24:0 811.6903 14.413 HexCer 18:1;2O/24:1 809.67448 13.852 HexCer 18:1;2O/24:2 807.65958 13.319 Ketamine 237.0919 0.621 Leucomalachite green 330.20961 0.889 SPB 18:0;2O 301.29806 1.357 Xylazine 220.10334 0.605 METABOLITES_END #END