#METABOLOMICS WORKBENCH burlab_20190119_200209 DATATRACK_ID:1609 STUDY_ID:ST001140 ANALYSIS_ID:AN001871 PROJECT_ID:PR000761 VERSION 1 CREATED_ON February 21, 2019, 4:41 pm #PROJECT PR:PROJECT_TITLE Changes in the Canine Plasma Lipidome after Short- and Long-Term Excess PR:PROJECT_TITLE Glucocorticoid Exposure PR:PROJECT_SUMMARY Glucocorticoids (GCs) are widely used in veterinary and human medicine. Chromic PR:PROJECT_SUMMARY endogenous or iatrogenic GC overexposure impairs metabolic function and can PR:PROJECT_SUMMARY result in diverse side-effects, including Cushing’s syndrome. This study PR:PROJECT_SUMMARY examines the effects of experimentally induced short-term and long-term GC PR:PROJECT_SUMMARY excess (induced by prednisolone and tetracosactide, respectively) on the plasma PR:PROJECT_SUMMARY lipidome of Beale dogs. Both, long- and short-term GC resulted in significant PR:PROJECT_SUMMARY changes of the plasma lipidome. PR:INSTITUTE National University of Singapore and University of Zurich PR:DEPARTMENT Multiple PR:LABORATORY Singapore Lipidomics Incubator (SLING) PR:LAST_NAME Burla PR:FIRST_NAME Bo PR:ADDRESS 28 Medical Drive, Singapore 117456, Singapore PR:EMAIL bo.burla@nus.edu.sg PR:PHONE +6565166683 #STUDY ST:STUDY_TITLE Changes in the Canine Plasma Lipidome after Short- and Long-Term Excess ST:STUDY_TITLE Glucocorticoid Exposure ST:STUDY_SUMMARY Glucocorticoids (GCs) are widely used in veterinary and human medicine. Chromic ST:STUDY_SUMMARY endogenous or iatrogenic GC overexposure impairs metabolic function and can ST:STUDY_SUMMARY result in diverse side-effects, including Cushing’s syndrome. This study ST:STUDY_SUMMARY examines the effects of experimentally induced short-term and long-term GC ST:STUDY_SUMMARY excess (induced by prednisolone and tetracosactide, respectively) on the plasma ST:STUDY_SUMMARY lipidome of Beale dogs. Both, long- and short-term GC resulted in significant ST:STUDY_SUMMARY changes of the plasma lipidome. ST:INSTITUTE Life Sciences Institute, National University of Singapore ST:LABORATORY Singapore Lipidomics Incubator (SLING) ST:LAST_NAME Burla ST:FIRST_NAME Bo ST:ADDRESS 28 Medical Drive, Singapore 117456, Singapore ST:EMAIL bo.burla@nus.edu.sg ST:PHONE +6565166683 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 14 ST:NUM_MALES 9 ST:NUM_FEMALES 5 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Canis lupus familiaris SU:TAXONOMY_ID 9615 SU:GENOTYPE_STRAIN Beagle SU:AGE_OR_AGE_RANGE 8 to 83 months SU:WEIGHT_OR_WEIGHT_RANGE 12.2 to 18.9 kg SU:GENDER Male and female SU:ANIMAL_ANIMAL_SUPPLIER In-house breeding SU:ANIMAL_FEED Standard pellet/kibble maintenance diet #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS P1 Prednisolone-d0-P1 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=F; Age_months=83; Weight_kg=14.7 SUBJECT_SAMPLE_FACTORS P1 Prednisolone-d4-P1 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=F; Age_months=89; Weight_kg=12.6 SUBJECT_SAMPLE_FACTORS P2 Prednisolone-d0-P2 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=F; Age_months=72; Weight_kg=14 SUBJECT_SAMPLE_FACTORS P2 Prednisolone-d4-P2 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=F; Age_months=78; Weight_kg=11.8 SUBJECT_SAMPLE_FACTORS P3 Prednisolone-d0-P3 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=F; Age_months=71; Weight_kg=15.4 SUBJECT_SAMPLE_FACTORS P3 Prednisolone-d4-P3 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=F; Age_months=77; Weight_kg=12.2 SUBJECT_SAMPLE_FACTORS P4 Prednisolone-d0-P4 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=M; Age_months=23; Weight_kg=16.9 SUBJECT_SAMPLE_FACTORS P4 Prednisolone-d4-P4 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=M; Age_months=29; Weight_kg=14.1 SUBJECT_SAMPLE_FACTORS P5 Prednisolone-d0-P5 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=M; Age_months=23; Weight_kg=19.8 SUBJECT_SAMPLE_FACTORS P5 Prednisolone-d4-P5 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=M; Age_months=29; Weight_kg=16.5 SUBJECT_SAMPLE_FACTORS P6 Prednisolone-d0-P6 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=M; Age_months=88; Weight_kg=16.3 SUBJECT_SAMPLE_FACTORS P6 Prednisolone-d4-P6 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=M; Age_months=94; Weight_kg=11.9 SUBJECT_SAMPLE_FACTORS P7 Prednisolone-d0-P7 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=M; Age_months=58; Weight_kg=12 SUBJECT_SAMPLE_FACTORS P7 Prednisolone-d4-P7 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=M; Age_months=58; Weight_kg=13 SUBJECT_SAMPLE_FACTORS P8 Prednisolone-d0-P8 TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before Sex=M; Age_months=43; Weight_kg=13 SUBJECT_SAMPLE_FACTORS P8 Prednisolone-d4-P8 TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Sex=M; Age_months=43; Weight_kg=14 SUBJECT_SAMPLE_FACTORS T1 Tetracosactide-w00-T1 TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before Sex=M; Age_months=56; Weight_kg=14 SUBJECT_SAMPLE_FACTORS T1 Tetracosactide-w25-T1 TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after Sex=M; Age_months=56; Weight_kg=15 SUBJECT_SAMPLE_FACTORS T2 Tetracosactide-w00-T2 TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before Sex=F; Age_months=43; Weight_kg=15 SUBJECT_SAMPLE_FACTORS T2 Tetracosactide-w25-T2 TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after Sex=F; Age_months=43; Weight_kg=16 SUBJECT_SAMPLE_FACTORS T3 Tetracosactide-w00-T3 TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before Sex=F; Age_months=8; Weight_kg=16 SUBJECT_SAMPLE_FACTORS T3 Tetracosactide-w25-T3 TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after Sex=F; Age_months=8; Weight_kg=17 SUBJECT_SAMPLE_FACTORS T4 Tetracosactide-w00-T4 TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before Sex=M; Age_months=7; Weight_kg=17 SUBJECT_SAMPLE_FACTORS T4 Tetracosactide-w25-T4 TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after Sex=M; Age_months=7; Weight_kg=18 SUBJECT_SAMPLE_FACTORS T5 Tetracosactide-w00-T5 TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before Sex=M; Age_months=7; Weight_kg=18 SUBJECT_SAMPLE_FACTORS T5 Tetracosactide-w25-T5 TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after Sex=M; Age_months=7; Weight_kg=19 SUBJECT_SAMPLE_FACTORS T6 Tetracosactide-w00-T6 TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before Sex=M; Age_months=8; Weight_kg=19 SUBJECT_SAMPLE_FACTORS T6 Tetracosactide-w25-T6 TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after Sex=M; Age_months=8; Weight_kg=20 #COLLECTION CO:COLLECTION_SUMMARY Blood was collected from the jugular vein after overnight fasting right before CO:COLLECTION_SUMMARY start and at the end of the treatments (12 h after the last prednisolone CO:COLLECTION_SUMMARY administration and 25 weeks after start of tetracosactide infusion, CO:COLLECTION_SUMMARY respectively). Plasma was prepared lithium heparin anticoagulated blood CO:COLLECTION_SUMMARY (Vacuette Greiner Bio-One, Germany) that centrifuged immediately after CO:COLLECTION_SUMMARY collection (1,862 g, 10 min, 4°C). Plasma samples were stored at −80°C until CO:COLLECTION_SUMMARY lipidomic analysis. CO:COLLECTION_PROTOCOL_COMMENTS Blood collected after overnight fasting CO:SAMPLE_TYPE Blood (plasma) CO:COLLECTION_METHOD Venepuncture CO:COLLECTION_LOCATION Jugular vein CO:COLLECTION_FREQUENCY Before and after treatment CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS VACUETTE® lithium heparin tubes (Greiner Bio-One, Germany) CO:COLLECTION_TUBE_TEMP Room temperature CO:ADDITIVES Lithium heparin #TREATMENT TR:TREATMENT_SUMMARY In the short-term prednisolone group, dogs were treated with 50 mg prednisolone TR:TREATMENT_SUMMARY (Streuli Pharma AG, Switzerland) orally twice daily for 3 consecutive days. For TR:TREATMENT_SUMMARY the long-term tetracosactide treatment, ALZET osmotic pumps (Durect Corporation, TR:TREATMENT_SUMMARY USA) subcutaneously delivering tetracosactide (synthetic ACTH; Bachem AG, TR:TREATMENT_SUMMARY Switzerland) were implanted into the dorsolateral neck. New pumps were implanted TR:TREATMENT_SUMMARY every 4 weeks. Total infusion time was 25 weeks, with a starting dose of TR:TREATMENT_SUMMARY 1.3–1.95 µg/kg/d tetracosactide, which was gradually increased to a final TR:TREATMENT_SUMMARY dose of 6–10 µg/kg/d. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma lipids were extracted using a single-phase butanol/methanol extraction SP:SAMPLEPREP_SUMMARY method (Alshehry et al, Metabolites 2015 with modifications). After thawing on SP:SAMPLEPREP_SUMMARY ice, a 10 µL aliquot of each plasma sample was transferred into a 2 mL SP:SAMPLEPREP_SUMMARY polypropylene tube (Eppendorf, Germany). Subsequently, 1 µL BHT SP:SAMPLEPREP_SUMMARY (2,6-di-tert-butyl-4-methylphenol, 10 mmol/L in ethanol) and 90 µL of SP:SAMPLEPREP_SUMMARY 1-butanol:methanol (1:1, v/v) containing internal standards was added to each SP:SAMPLEPREP_SUMMARY sample. Following internal standards were added at 50 ng/mL final concentration SP:SAMPLEPREP_SUMMARY in the extraction solvent: ceramide d18:1/17:0 (Avanti 860517P), SP:SAMPLEPREP_SUMMARY Glucosylceramide (Matreya 1533), Lactosylceramide d18:1/16:0 D3 (Matreya 1534), SP:SAMPLEPREP_SUMMARY LPC 20:0 (Avanti 855777P), LPE 14:0 (Avanti 856735P), PI 12:0/13:0 (Avanti SP:SAMPLEPREP_SUMMARY LM-1500), PE 14:0/14:0 (Avanti 850745P), PS 14:0/14:0 (Avanti 840033P), SM SP:SAMPLEPREP_SUMMARY d18:1/12:0 (Avanti 860583P), and at 100 ng/mL: DG 12:0_12:0 (Avanti 800812P), PC SP:SAMPLEPREP_SUMMARY 14:0/14:0 (Avanti 850345P), TAG 16:0_16:0_16:0 d5 (CDN Isotopes D5815). Samples SP:SAMPLEPREP_SUMMARY were then vortexed (30 sec) and sonicated in an ultrasound water bath for 30 min SP:SAMPLEPREP_SUMMARY (20°C). After centrifugation (14,000 g, 10 min, 4°C), 90 µL of supernatant SP:SAMPLEPREP_SUMMARY were transferred into 1.5 mL polypropylene tubes (Sarstedt, Germany) and dried SP:SAMPLEPREP_SUMMARY under a nitrogen stream at 37°C. Dried extracts were stored at −80°C until SP:SAMPLEPREP_SUMMARY LC-MS analysis. Dried samples were reconstituted with 90 µL 1-butanol:methanol SP:SAMPLEPREP_SUMMARY (1:1, v/v) and sonication in an ultrasound water for 10 min. After SP:SAMPLEPREP_SUMMARY centrifugation for 10 min at 20,800 g (4°C), supernatants (80 µL) were SP:SAMPLEPREP_SUMMARY transferred into autosampler vials with glass inserts (Agilent Technologies, SP:SAMPLEPREP_SUMMARY USA). For the analysis of sphingosine-1-phosphate (S1P), lipid extracts were SP:SAMPLEPREP_SUMMARY derivatized according to the method described by Narayanaswamy et al. (Anal. SP:SAMPLEPREP_SUMMARY Chem., 2014). To 50 µL lipid extract (see above), 50 µL 13C2D2–S1P d18:1 SP:SAMPLEPREP_SUMMARY internal standard solution (Toronto Research Chemicals, Canada; 20 ng/mL in SP:SAMPLEPREP_SUMMARY 1-butanol:methanol 1:1 [v/v]) was added. Derivatization was performed by adding SP:SAMPLEPREP_SUMMARY 20 µL TMS-diazomethane (2 mol/L in hexanes; Acros Organics, Thermo Fisher SP:SAMPLEPREP_SUMMARY Scientific, USA) and subsequent incubation for 20 min at 25°C and 700 rpm SP:SAMPLEPREP_SUMMARY (Thermomixer, Eppendorf, Germany). To stop the reaction and inactivate TMS, 1 SP:SAMPLEPREP_SUMMARY µL acetic acid 100% (glacial) was added. After centrifugation for 10 min at SP:SAMPLEPREP_SUMMARY 20,800 g (7°C), supernatants were transferred into autosampler vials for LC-MS SP:SAMPLEPREP_SUMMARY analysis. Process Quality Control (PQC) samples were generated by pooling equal SP:SAMPLEPREP_SUMMARY volumes of plasma samples within an experimental group. For Blank samples, SP:SAMPLEPREP_SUMMARY plasma was omitted. PQC and Blank were processed together with the study plasma SP:SAMPLEPREP_SUMMARY samples with the same procedures. SP:EXTRACTION_METHOD Liquid–liquid extraction using butanol:methanol SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent Zorbax RRHD Eclipse Plus C18 (50 x 2.1 mm, 1.8 µm, 95 Ã…) CH:FLOW_GRADIENT 20% B: 2 min, 20% - 60% B: 2 - 7 min, 60% - 100% B: 7 - 9 min, 20% B: 9 - 10.8 CH:FLOW_GRADIENT min CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 40 CH:SOLVENT_A Water:acetonitrile 60:40 (v:v) + 10 mmol/L ammonium formate CH:SOLVENT_B 2-Propanol:acetonitrile 90:10 (v:v) + 10 mmol/L ammonium formate CH:SAMPLE_INJECTION 1 µL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Singapore Lipidomics Incubator AN:SOFTWARE_VERSION . MassHunter Data Acquisition B.06 AN:DATA_FORMAT .d #MS MS:INSTRUMENT_NAME Agilent 6495 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Sphingolipids were measured with an Agilent 6495A triple quadrupole mass MS:MS_COMMENTS spectrometer in dynamic MRM mode. The ESI source settings were: polarity: MS:MS_COMMENTS positive, dry gas temperature 200°C, dry gas flow 12 L/min, nebulizer pressure: MS:MS_COMMENTS 25 psi, sheath gas temperature: 250°C, sheath gas flow: 12 L/min, capillary MS:MS_COMMENTS voltage: 3500 V, noozle: 500, iFunnel high pressure RF: 80, iFunnel high MS:MS_COMMENTS pressure RF: 40. MRM transitions with collision energies are detailed in the MS:MS_COMMENTS attached protocol. Data were processed with Agilent MassHunter QQQ Quantitative MS:MS_COMMENTS Analysis (version B.08). Transitions of precursor ions with water loss were used MS:MS_COMMENTS as qualifiers. Normalised peak areas were calculated by dividing the peak areas MS:MS_COMMENTS of the analyte with the corresponding class-specific internal standard. Relative MS:MS_COMMENTS abundance was obtained by multiplying the normalised peak areas with the molar MS:MS_COMMENTS concentration of the corresponding internal standard. Lipid species with a MS:MS_COMMENTS median peak area in the PQC samples below 250 or less than 5 times of the MS:MS_COMMENTS highest signal in Blank samples were excluded. Additionally, the coefficient of MS:MS_COMMENTS variation (CV) of the normalised peak area was calculated for each lipid species MS:MS_COMMENTS in the PQC samples of each experimental group. Species with a CV higher than 25% MS:MS_COMMENTS in any of the two groups were excluded from subsequent evaluation. MS:CAPILLARY_VOLTAGE 3500 V MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 12 L/min MS:DRY_GAS_TEMP 200°C MS:FRAGMENT_VOLTAGE 135 V MS:NEBULIZER 25 psi #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µmol/L MS_METABOLITE_DATA_START Samples Tetracosactide-w00-T1 Tetracosactide-w25-T1 Tetracosactide-w00-T2 Tetracosactide-w25-T2 Tetracosactide-w00-T3 Tetracosactide-w25-T3 Tetracosactide-w00-T4 Tetracosactide-w25-T4 Tetracosactide-w00-T5 Tetracosactide-w25-T5 Tetracosactide-w00-T6 Tetracosactide-w25-T6 Prednisolone-d0-P1 Prednisolone-d4-P1 Prednisolone-d0-P2 Prednisolone-d4-P2 Prednisolone-d0-P3 Prednisolone-d4-P3 Prednisolone-d0-P4 Prednisolone-d4-P4 Prednisolone-d0-P5 Prednisolone-d4-P5 Prednisolone-d0-P6 Prednisolone-d4-P6 Prednisolone-d0-P7 Prednisolone-d4-P7 Prednisolone-d0-P8 Prednisolone-d4-P8 Factors TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after TreatmentGroup:Tetracosactide | TreatmentDuration:00w | SamplingTimePoint:before TreatmentGroup:Tetracosactide | TreatmentDuration:25w | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after TreatmentGroup:Prednisolone | TreatmentDuration:0d | SamplingTimePoint:before TreatmentGroup:Prednisolone | TreatmentDuration:4d | SamplingTimePoint:after Cer(d16:1/24:0) 0.007549046 0.023286301 0.00727265 0.013767939 0.007497222 0.022647137 0.016497343 0.008861923 0.01637642 0.012385963 0.010865789 0.0102439 0.032200049 0.017827495 0.026326649 0.017050133 0.028192317 0.017499275 0.016514617 0.01692921 0.0116777 0.032338246 0.029004228 0.020556898 0.034566683 0.030420754 0.023994564 0.023217203 Cer(d18:1/16:0) 0.1781713 0.365757313 0.266755983 0.345459536 0.338566929 0.625119723 0.513283287 0.217834021 0.293894543 0.277224454 0.181850812 0.818544586 0.532941901 0.697794404 0.4818606 0.485073695 0.341624551 0.557299234 0.392204885 0.452130834 0.218317712 0.654348522 0.482758885 0.253730856 0.385018608 0.68019148 0.359417497 0.546174324 Cer(d18:1/18:0) 0.25290167 1.365202602 0.230150885 0.835940213 0.501311917 1.34404109 0.306626 0.393275917 0.275894302 0.633964371 0.281284009 2.288172776 0.40419353 0.638473069 0.374947456 0.448606795 0.377590486 0.840258889 0.259172388 0.283702468 0.29119969 0.853888631 0.641306121 0.234124067 0.396730858 0.90158409 0.527293073 0.497770603 Cer(d18:1/20:0) 0.104494686 0.319426556 0.098534913 0.279971132 0.223206454 0.554880775 0.085734357 0.075542282 0.132427883 0.152794759 0.084317831 0.716174689 0.363425228 0.245939964 0.437360962 0.155437789 0.290249581 0.273562217 0.175856489 0.206225419 0.130631314 0.425942383 0.416717691 0.092229646 0.270072726 0.337720468 0.341451804 0.24210498 Cer(d18:1/22:0) 0.536966907 1.419583371 0.548903728 1.182315308 1.259533236 2.1874267 0.713410736 0.294153664 0.680398776 0.816108853 0.63840397 2.348686065 1.828682917 1.787327275 2.291368596 0.742570437 1.567472114 1.611695357 1.930189079 1.460904464 0.95765778 2.518530957 2.61387005 0.587823636 2.358498097 1.743328604 2.489975871 1.438792842 Cer(d18:1/23:0) 0.673799839 1.677581079 0.621889353 1.041319172 1.389853605 2.866132556 0.682108972 0.333937308 0.824348887 1.371697891 0.700541081 2.001309037 1.697827033 1.49937523 2.009963664 0.766167683 1.64218521 2.228868716 1.570547012 1.498753341 0.883411101 2.31624417 2.199052576 0.781818565 2.024716261 2.064309883 1.61181628 1.398007266 Cer(d18:1/24:0) 0.808611631 2.026599204 0.707226392 1.026566575 1.151117192 2.85656237 0.672521511 0.435495294 0.915075634 1.193906635 0.729234365 2.844400978 1.672070449 1.677460156 1.789331141 0.702855892 1.531575279 1.739631817 1.686598475 1.452560782 0.970078292 2.532471643 2.040159847 0.808248862 2.007510656 2.43657976 1.986297319 1.569752375 Cer(d18:1/24:1) 0.551253087 1.298263123 0.832018856 1.249773028 1.577716014 2.603073359 0.691350939 0.433785098 0.85248938 0.967677108 0.663072248 2.960331518 1.191591825 1.289902166 1.064640023 0.439053883 0.871266984 1.111679043 0.879023326 1.096822797 0.473620566 2.116911358 1.035946739 0.647939607 1.124686895 1.693525631 0.848654396 1.252657904 Cer(d18:1/25:0) 0.073452042 0.179363254 0.067302248 0.077166104 0.133878958 0.223396475 0.067215874 0.045553395 0.084196909 0.089068375 0.062810825 0.202753204 0.158046269 0.097498431 0.199419186 0.047367239 0.126744505 0.126450835 0.117537088 0.077045181 0.096306476 0.21992426 0.26050254 0.06804506 0.22605678 0.182818195 0.151637354 0.124015102 Cer(d18:1/25:1) 0.018518483 0.051288597 0.024737376 0.035344045 0.042012081 0.077235203 0.009449263 0.012541435 0.020004108 0.030783523 0.013491544 0.070169849 0.044447814 0.04465511 0.053637957 0.023372675 0.025462914 0.05254965 0.035464968 0.046589877 0.017672022 0.042288476 0.04641713 0.01986591 0.025808408 0.054674439 0.032735565 0.027484054 Cer(d18:2/16:0) 0.02129971 0.027086736 0.032649191 0.040474632 0.03885081 0.038470766 0.064901064 0.017741121 0.046019812 0.020729645 0.014942619 0.034704881 0.05460534 0.054087099 0.015564509 0.045898889 0.040060039 0.024927398 0.038125272 0.031491786 0.016773738 0.046175284 0.029608843 0.019382218 0.027777724 0.046382581 0.034601233 0.018311187 Cer(d18:2/18:0) 0.024201861 0.063069945 0.009431989 0.050131192 0.01637642 0.046313482 0.011401305 0.030576227 0.015719981 0.061446123 0.039472699 0.038660788 0.016600991 0.06191254 0.012161392 0.023234477 Cer(d18:2/22:0) 0.046883547 0.056315536 0.069012443 0.138491304 0.139044095 0.164662481 0.074436701 0.018673955 0.064002779 0.038349843 0.059753202 0.10513385 0.117485264 0.143069101 0.172073329 0.109884394 0.124982485 0.132963399 0.198728198 0.086097126 0.0788763 0.206553639 0.258878718 0.037710679 0.167132764 0.181591691 0.119178185 0.085509786 Cer(d18:2/23:0) 0.087444553 0.119765525 0.147353227 0.182179031 0.157942621 0.231964729 0.1022317 0.016445518 0.075490458 0.059079489 0.082607636 0.106930419 0.155472338 0.153779417 0.163885119 0.194547719 0.159013653 0.298403241 0.091348636 0.097964848 0.06077241 0.206968232 0.161933078 0.060806959 0.141825322 0.268673475 0.097774826 0.111473667 Cer(d18:2/24:0) 0.108502417 0.121527544 0.097584804 0.237026217 0.147698721 0.373099062 0.095667312 0.029954337 0.102974512 0.069288839 0.066196667 0.178810464 0.155057745 0.282752359 0.190505438 0.151499156 0.109677097 0.260226145 0.127815537 0.105496619 0.068856971 0.229822665 0.167167313 0.06481469 0.194254049 0.301650886 0.134846341 0.113270236 Cer(d18:2/24:1) 0.079049047 0.069133366 0.109849844 0.171330517 0.232362047 0.191058229 0.093387051 0.011228558 0.087669124 0.026136628 0.041856608 0.103786423 0.071327254 0.135934648 0.05078763 0.106982243 0.057352018 0.114565839 0.061100629 0.082521262 0.022733511 0.121942137 0.056591931 0.062741726 0.079567288 0.159583718 0.068856971 0.06951341 GM3(d18:1/16:0) 2.625608539 2.517617484 3.076875987 1.957056764 4.405839427 6.008443239 3.525812615 1.324017231 5.453595059 2.953373203 3.524234862 4.152478965 4.173653096 3.148774304 2.446577336 1.952317411 4.233099341 2.794874267 3.551932474 2.39270393 3.123624813 4.352427919 6.449593177 2.062574867 4.8130045 5.557105662 5.314089207 4.127641046 GM3(d18:1/18:0) 0.943993915 0.474403085 0.999201076 0.394992672 2.043589132 1.043047947 1.761351242 0.641587009 2.631503771 0.981246242 1.248900461 0.791491873 1.444641551 1.253653488 0.92285166 0.976932593 1.863265616 1.042936657 1.475003608 0.771041155 1.436424311 1.479691922 2.486433956 0.876552551 1.990896644 1.758400882 2.612597063 1.30889111 GM3(d18:1/22:0) 0.099657473 0.098032797 0.155467572 0.080006803 0.186868146 0.287236598 0.162145513 0.142918357 0.210496023 0.237160285 0.212969878 0.085407215 0.215992274 0.275724545 0.21631186 0.293389333 0.276135479 0.280084402 0.351386723 0.216009591 0.142209605 0.202013405 0.213123984 0.160389646 0.211495459 0.287142467 0.30415342 0.375250925 GM3(d18:1/24:0) 0.11189611 0.097001174 0.14102008 0.108388922 0.210333454 0.370541076 0.159095192 0.05814074 0.313862438 0.251054216 0.144226437 0.151088507 GM3(d18:1/24:1) 0.239851383 0.217872948 0.362192331 0.15621623 0.415484037 0.379130233 0.391218665 0.157979702 0.415590043 0.196340522 0.338938253 0.244205198 0.402373606 0.339413031 0.264547559 0.266102634 0.391690334 0.399479488 0.413329261 0.227164656 0.20955876 0.283862598 0.351323916 0.241612608 0.318678159 0.422340852 0.382248851 0.355952306 GM3(d18:2/16:0) 0.085994232 0.049460569 0.114637704 0.079417555 0.151613229 0.15212122 0.120517598 0.040777442 0.174927779 0.083870667 0.086511355 0.169953035 0.068943214 0.06904764 0.040538883 0.059331372 0.07871046 0.050104765 0.112663244 0.060873688 0.090261755 0.087934083 0.101677274 0.057190218 0.098764208 0.080509474 0.10502109 0.085851058 GM3(d18:2/18:0) 0.228584066 0.062040633 0.2155817 0.058531982 0.352833942 0.140772494 0.395883863 0.054523386 0.53491968 0.116780016 0.202554205 0.078214575 0.186642057 0.117940203 0.136940627 0.148930341 0.216383237 0.114742794 0.267890356 0.126884072 0.295717709 0.245300225 0.441991789 0.184807942 0.321088909 0.241836625 0.387024207 0.2183603 GM3(d18:2/20:0) 0.039295025 0.035883025 0.024413881 0.020636999 0.043220224 0.040182622 0.038905649 0.024955145 0.024995563 0.054096157 0.088563687 0.027888264 0.057513601 0.055373807 0.053777851 0.044394766 GM3(d18:2/24:1) 0.036262628 0.023698662 0.059548791 0.021016517 0.047500163 0.037254176 0.055623507 0.028149589 0.08218328 0.018914002 0.042336647 0.035790921 0.025774557 0.027028772 0.010970574 0.041331323 0.028042365 0.031660283 0.04295935 0.028481832 0.027899088 0.021668145 0.037236578 0.031551008 0.024375359 0.047737221 0.031994883 0.029702401 GlcCer(d18:1/16:0) 0.10559325 0.11840602 0.120387529 0.200037772 0.085695318 0.200358962 0.105245564 0.251749734 0.11936633 0.155792662 0.189280398 0.178171874 0.103699646 0.237255865 0.114353123 0.271958459 0.110952778 0.192792487 0.112029911 0.223441295 0.082853325 0.190897479 0.111724568 0.225078785 0.103352735 0.194056866 0.166098203 0.224053338 GlcCer(d18:1/16:1) 0.008468012 0.007282439 0.00761889 0.012174572 0.006613461 0.018047416 0.004628953 0.013885051 0.003216979 0.010560243 0.009947754 0.011871265 0.009577007 0.012845939 0.009184368 0.017960718 0.007113523 0.016197643 0.005969736 0.007895452 0.004463076 0.009024067 0.00676329 0.007798395 0.005684177 0.015013685 0.007737148 0.012569376 GlcCer(d18:1/18:0) 0.005508965 0.014037806 0.007450589 0.027191554 0.006476366 0.035258659 0.008640713 0.047200302 0.006366333 0.02055822 0.014004877 0.031386614 0.005090768 0.020992958 0.007367797 0.031070864 0.013016838 0.027808878 0.010108443 0.01657387 0.008749895 0.018625842 0.011721526 0.025706171 0.012562433 0.025298226 0.01743262 0.017581159 GlcCer(d18:1/20:0) 0.026070058 0.027331275 0.014655198 0.04261729 0.029804445 0.067473352 0.026560373 0.044716076 0.019900829 0.033729441 0.033463464 0.083484706 0.023445814 0.052326042 0.025282389 0.059195119 0.037005092 0.060434088 0.017496499 0.033272751 0.021383737 0.065437538 0.034707649 0.037964867 0.031944984 0.071900439 0.038225257 0.050326291 GlcCer(d18:1/22:0) 0.026422099 0.035257466 0.031951438 0.070362233 0.044259737 0.156969614 0.031659235 0.04036868 0.031966914 0.054940406 0.043653084 0.114253963 0.059194316 0.16263601 0.047770466 0.161900327 0.066754618 0.141125819 0.057505936 0.08977787 0.04045725 0.117970626 0.07073699 0.079876483 0.064614466 0.118922007 0.072705916 0.117572895 GlcCer(d18:1/23:0) 0.035070888 0.065328708 0.039298456 0.084945307 0.055797649 0.148149448 0.025718745 0.052671515 0.047332092 0.072157349 0.077061933 0.11085421 0.042999311 0.124223275 0.052418749 0.140113549 0.078924879 0.150552762 0.056709584 0.090902972 0.042219818 0.112374521 0.052848825 0.108930257 0.0574321 0.145665134 0.071162534 0.110401166 GlcCer(d18:1/24:0) 0.049942239 0.039892476 0.044010905 0.106062152 0.064346891 0.158726312 0.05366079 0.051621634 0.050264083 0.067219757 0.072692723 0.15121394 0.058971595 0.126970914 0.070894341 0.165381859 0.081180525 0.194746853 0.082245173 0.100785447 0.043434732 0.130621025 0.075487531 0.114417664 0.09732867 0.15919655 0.090280223 0.162168898 GlcCer(d18:1/24:1) 0.043015596 0.048385973 0.046528958 0.072135595 0.066096223 0.130127704 0.038567597 0.047998804 0.051742154 0.040864391 0.057634555 0.112744867 0.033485939 0.111323134 0.045056295 0.100492984 0.044470883 0.103968656 0.040904607 0.06196614 0.037259446 0.114219008 0.0663603 0.056757096 0.042217647 0.12057866 0.047176869 0.076773428 GlcCer(d18:1/25:0) 0.003805848 0.00638521 0.00341782 0.007483337 0.003860594 0.008079345 0.002819453 0.003341876 0.004965547 0.007813545 0.008161059 0.009316092 0.007929578 0.009714715 0.005241341 0.007080929 0.006579441 0.01282742 0.004138707 0.007073009 0.005879426 0.012504232 0.00598538 0.013666211 0.006444452 0.015051053 0.005470149 0.008067641 GlcCer(d18:2/16:0) 0.001990349 0.003723279 0.002943913 0.004732708 0.001238617 0.003418628 0.001168371 0.004697794 0.002071018 0.003233073 0.00191079 0.003033766 0.002678853 0.004189383 0.002681941 0.002018019 GlcCer(d18:2/24:0) 0.004823912 0.004140127 0.003010012 0.01540687 0.005472831 0.031393189 0.001353618 0.000680205 0.004265153 0.003380053 0.005477116 0.01548109 LacCer(d18:1/16:0) 5.853435724 7.502962039 8.320310364 7.299016753 10.19675854 13.98118191 5.016044118 4.719528511 9.962021701 9.26750591 5.837065686 11.01602325 9.060650568 11.61891582 7.57505953 7.705224775 10.54742739 10.3427022 10.8207633 10.68647555 5.215677691 6.76639783 6.994051309 6.368227213 4.839637545 10.82672641 8.009116254 11.44892557 LacCer(d18:1/18:0) 0.608176077 0.656197901 0.506415985 0.61576431 1.095294518 1.427352371 0.566043945 0.730573911 0.942619157 1.103147744 0.451121178 1.118778522 0.597135393 0.649156549 0.658234447 0.463701898 1.123330865 0.889040509 0.798727529 0.669303897 0.604311919 0.775947169 0.816649625 0.594521237 0.543796268 0.951867861 0.854604989 0.952104913 LacCer(d18:1/20:0) 0.214402789 0.276417527 0.263572497 0.231541784 0.548359192 0.601758431 0.316455887 0.107862911 0.357685428 0.250040061 0.259840407 0.752556864 0.24388988 0.344539178 0.434504389 0.313739707 0.619866034 0.477003952 0.419261507 0.262393194 0.365907269 0.387330466 0.422603217 0.33253863 0.410898904 0.538259427 0.4427122 0.495053257 LacCer(d18:1/22:0) 0.107169017 0.19414563 0.242152521 0.155365094 0.309320604 0.584890568 0.194921515 0.086356099 0.321692307 0.263426915 0.220873536 0.726887323 0.276517787 0.356383683 0.396890992 0.439912024 0.315913884 0.364896084 0.47408535 0.296663394 0.271921428 0.416542886 0.473253981 0.202928888 0.412467804 0.588291048 0.359694479 0.397924817 LacCer(d18:1/23:0) 0.085994232 0.160990428 0.11664779 0.038661225 0.241772411 0.318488713 0.117347656 0.071557834 0.196839274 0.144111509 0.195630846 0.33994914 LacCer(d18:1/24:0) 0.061063676 0.093848994 0.102891266 0.130649408 0.214662006 0.447877986 0.105684663 0.056891108 0.254379709 0.102429715 0.139202406 0.62119428 0.270558352 0.230171743 0.204087506 0.233771336 0.275007014 0.236114074 0.182515445 0.186952755 0.120559407 0.21410898 0.256936143 0.154927659 0.273754028 0.404430833 0.214523668 0.238731065 LacCer(d18:1/24:1) 0.17412537 0.199962835 0.207604172 0.17245329 0.365307006 0.77505934 0.246597547 0.167253282 0.381175036 0.216877173 0.159298528 0.805360316 0.295513486 0.360383631 0.260925528 0.33821748 0.429663194 0.339987798 0.248066766 0.334191946 0.187151122 0.434995439 0.345725278 0.207426995 0.297478867 0.468674037 0.350327435 0.426277109 LacCer(d18:2/16:0) 0.060221865 0.043672021 0.072739979 0.134217633 0.097563284 0.131389961 0.05658047 0.033674275 0.113077881 0.064804542 0.014827017 0.252776068 0.052182303 0.062678791 0.032981377 0.065751771 0.068554272 0.045081937 0.059075286 0.065243713 0.054472654 0.060700489 0.049298072 0.07017047 0.050664011 0.074585127 0.051647308 0.066989239 LacCer(d18:2/22:0) 0.024098466 0.03312578 0.004875811 0.029121098 0.037916437 0.011692484 0.030353327 0.016675097 0.043868475 0.014123871 0.055310033 0.012337665 0.0352046 0.038319907 0.046798485 0.033117383 LacCer(d18:2/24:1) 0.032765875 0.011863659 0.049686808 0.015156772 0.044538522 0.03690923 0.029426629 0.011246682 0.066341451 0.051519104 0.020034853 0.059565395 SM(32:1) 2.656531489 2.259210486 2.761750959 1.718542842 3.098674079 2.890872487 2.84169965 1.120216516 3.201109094 1.639297155 3.176595433 4.690280409 4.038250339 3.210988692 3.165180725 1.636059925 3.259533151 2.228719023 2.950454215 2.292851107 2.609433903 3.020767391 3.725075465 1.775498839 3.267812635 2.751221629 3.239938762 3.387209609 SM(32:2) 0.239758966 0.156020529 0.298370264 0.189196169 0.297146832 0.233971644 0.229420168 0.058427232 0.250011995 0.091556111 0.229303052 0.230777081 0.279661979 0.1963113 0.268171564 0.146993366 0.22142146 0.154682242 0.260572763 0.148846879 0.152787836 0.184229148 0.215087338 0.115435823 0.240563451 0.172022659 0.232840002 0.176255492 SM(34:0) 3.718617182 5.819988207 3.803402916 8.882812806 4.30600736 11.26689775 5.890900394 6.593100433 4.371728931 6.534934347 7.078514145 9.622876753 8.543160946 7.772059177 6.105102887 7.114541522 5.862891623 5.456323122 5.72640245 4.305129848 5.27880695 10.52582413 7.225571127 5.999813755 8.803232351 8.270391426 9.083207791 6.064871364 SM(34:1) 221.4210088 405.4581704 265.8391952 303.9456289 296.849026 417.0937518 246.1049252 169.1214927 310.0783501 307.8958157 367.6129792 382.4112502 473.5216572 383.8587718 397.5130053 234.2508691 388.4385642 332.6884738 359.0666032 283.9351361 274.7193514 421.1719309 468.3847501 214.5952862 380.7476695 387.4725762 431.9409438 385.049869 SM(34:2) 10.97259628 13.39258055 13.56778247 17.24697396 14.56149047 21.31646932 11.69416374 4.58328665 15.49215967 8.605365728 12.14906381 21.7120071 16.02055022 17.16791367 10.01131343 8.603479619 11.11020856 9.870879579 13.31112234 9.027057108 9.708902698 13.79074305 16.72689232 7.642367776 15.27542364 13.04976975 14.75993879 12.65832882 SM(36:1) 34.13374824 108.6265856 23.05652634 78.53491164 37.76889598 113.0948157 34.76194832 41.07502676 38.08850633 45.30095165 48.56665211 114.9026531 52.37813463 57.87399094 37.14313628 25.73082414 49.5743197 47.00982993 35.44353448 31.38970084 32.93725375 75.73599224 74.50944656 29.7448518 56.19487117 66.48574131 75.43475181 65.9203492 SM(36:2) 21.65447578 26.36423786 22.97822426 44.80377292 27.13362169 38.44840153 30.18179601 16.45358819 32.23841838 22.17736316 28.87484091 33.99558162 21.86812759 25.30508032 18.24525848 20.24633692 20.60038646 21.3457927 17.94133653 12.97789108 24.25247798 22.33048344 30.39352019 14.37867499 26.91330264 21.91417108 31.21562309 21.94510007 SM(38:1) 9.791876923 25.29643964 7.502232104 16.0398731 14.26119153 26.67986416 8.356372322 6.371196848 11.88534619 9.010094162 11.42516176 29.58704095 22.92130455 20.55978416 17.2442182 12.95290315 22.81903474 16.11430142 13.59598727 10.83063333 8.899831602 23.91462958 20.95644639 9.000398311 25.68216736 22.26829105 20.29729614 15.65513133 SM(38:2) 2.340728734 2.809651347 2.649537141 4.076663876 2.784986255 4.988484739 2.420157853 1.714560273 2.688791276 1.503152318 2.810900685 2.863842529 3.131493693 4.236401797 2.912845689 3.769109654 3.570799772 3.170553486 3.176226025 2.038791514 2.382213507 3.198932794 4.373012776 2.159774735 3.47965066 3.062304812 2.892296298 2.981626021 SM(39:1) 3.088976397 5.301746213 2.28122999 1.585065224 3.650717367 3.937438328 3.313320879 0.790008119 3.718357292 2.136713123 4.143481302 4.037662736 11.28522459 6.507973466 6.775223913 3.334327879 7.08641587 5.088097885 5.277047464 3.55215016 3.859393827 9.384288445 8.582026694 2.77613933 7.754410855 8.124381679 8.506593724 6.094896372 SM(40:1) 11.31875404 33.83930383 10.27605334 11.97364514 19.63990077 33.01961647 15.9064493 4.53031939 20.13170296 13.5823495 20.23250191 46.74455907 50.45235588 45.98171135 30.28155732 21.31024837 36.30322191 25.72246997 25.48052113 15.68370921 17.91689056 47.78354511 61.06394962 13.44725911 40.74665563 46.97463923 49.7853279 32.95259455 SM(40:2) 7.392286813 6.297672446 7.779901616 8.646934861 10.82990182 11.06277099 9.441303697 2.295678355 9.635792307 3.995880358 9.884180551 9.19004713 15.12325309 14.26120174 8.908549911 9.621409478 12.09952538 9.276262031 12.19460986 6.952799856 8.532334779 11.4422004 13.68718413 5.91823419 14.71894442 15.66824393 12.48052709 9.59571235 SM(41:1) 9.905214765 28.18253057 7.020650012 9.930428569 17.21619463 22.33833833 12.2415675 3.325860673 14.53729613 16.06710414 16.98378203 23.23937839 34.99295325 25.0483984 20.77759386 11.96531456 22.96923452 18.29398616 14.5786088 12.2730605 14.88433981 41.01147926 25.97430215 7.885105707 25.40838115 25.84647023 29.50555937 20.75978455 SM(41:2) 9.010478991 6.416538352 8.761909586 6.087568624 10.80072967 9.779555904 8.676993739 1.80286056 10.16543069 5.062731327 8.619657125 8.134372009 12.27113391 11.72675335 6.935653317 7.086905998 9.781548507 8.764901996 7.090965701 4.404620049 7.329191472 10.83680557 10.68712995 4.316884856 10.13624064 8.667209352 9.861320976 7.346058651 SM(42:1) 8.580865074 20.44980145 5.773909396 7.162237102 12.43793173 17.54508059 8.820543264 3.41523082 12.34726815 9.109721679 13.40412394 17.40138694 23.54365598 18.60810772 12.25128014 11.30634943 17.20898413 18.25500128 10.86590011 9.515732056 10.38669897 26.76241579 30.1734207 9.126003919 19.96214125 22.28821215 22.81980938 15.723528 SM(42:2) 27.54182788 41.07219677 34.7735855 27.2481083 47.28186814 65.69798849 47.91195626 14.54868519 57.25159048 28.86332011 38.95631799 86.19145794 42.3399396 56.43500463 31.54707455 21.64560007 47.21508637 34.05157412 29.45437899 23.45856656 24.92591385 77.09416379 65.33850828 23.30228819 57.60799272 57.56932798 46.28580411 44.77296982 SM(42:3) 18.45266165 14.89848016 23.55959618 18.67448819 22.18594054 20.38517073 27.55376023 7.797134895 27.11683012 15.70837202 27.2311384 24.76063475 16.24005941 16.91383621 13.26441897 12.12370095 19.59296124 17.37522875 14.16054627 9.851183634 12.62473811 21.1800452 17.9160452 11.46239915 22.05709224 15.99449785 17.31499109 20.36390047 SM(43:1) 0.784729034 1.465856384 0.694027874 0.468521416 1.175395452 1.325542655 0.73463442 0.309484484 0.973838274 0.943472494 0.990053045 1.363969822 1.750602597 1.516289946 1.163395043 0.69087203 1.279485582 1.330738094 0.874484633 0.734950694 0.903034665 2.440993312 1.883650007 0.851044147 1.474518553 1.422046146 1.782536309 1.395638161 SM(43:2) 0.901415839 1.404410437 0.945328465 0.685008976 1.57050769 1.512107728 0.847377911 0.336987247 1.240086796 0.696795725 1.066533615 1.718122738 1.812884454 1.590635847 0.988386667 0.868696427 1.298452445 1.212133811 0.945097321 0.604994262 1.067714534 1.638419521 1.650818689 0.686050214 1.28633347 1.280842081 1.485106014 1.286287112 SM(44:1) 0.104264385 0.255713351 0.090628796 0.100515609 0.153286424 0.319163837 0.117312582 0.058353449 0.152954183 0.140171631 0.155283634 0.314959449 0.276347107 0.259927203 0.147368171 0.104207281 0.187244748 0.158418442 0.147966703 0.119303635 0.120662833 0.296901819 0.25875429 0.108115052 0.182577394 0.228757361 0.241501109 0.251465597 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Cer(d16:1/24:0) Cer(d18:1/16:0) Cer(d18:1/18:0) Cer(d18:1/20:0) Cer(d18:1/22:0) Cer(d18:1/23:0) Cer(d18:1/24:0) Cer(d18:1/24:1) Cer(d18:1/25:0) Cer(d18:1/25:1) Cer(d18:2/16:0) Cer(d18:2/18:0) Cer(d18:2/22:0) Cer(d18:2/23:0) Cer(d18:2/24:0) Cer(d18:2/24:1) GM3(d18:1/16:0) GM3(d18:1/18:0) GM3(d18:1/22:0) GM3(d18:1/24:0) GM3(d18:1/24:1) GM3(d18:2/16:0) GM3(d18:2/18:0) GM3(d18:2/20:0) GM3(d18:2/24:1) GlcCer(d18:1/16:0) GlcCer(d18:1/16:1) GlcCer(d18:1/18:0) GlcCer(d18:1/20:0) GlcCer(d18:1/22:0) GlcCer(d18:1/23:0) GlcCer(d18:1/24:0) GlcCer(d18:1/24:1) GlcCer(d18:1/25:0) GlcCer(d18:2/16:0) GlcCer(d18:2/24:0) LacCer(d18:1/16:0) LacCer(d18:1/18:0) LacCer(d18:1/20:0) LacCer(d18:1/22:0) LacCer(d18:1/23:0) LacCer(d18:1/24:0) LacCer(d18:1/24:1) LacCer(d18:2/16:0) LacCer(d18:2/22:0) LacCer(d18:2/24:1) SM(32:1) SM(32:2) SM(34:0) SM(34:1) SM(34:2) SM(36:1) SM(36:2) SM(38:1) SM(38:2) SM(39:1) SM(40:1) SM(40:2) SM(41:1) SM(41:2) SM(42:1) SM(42:2) SM(42:3) SM(43:1) SM(43:2) SM(44:1) METABOLITES_END #END