#METABOLOMICS WORKBENCH cascam07_20170513_091721 DATATRACK_ID:904 STUDY_ID:ST000608 ANALYSIS_ID:AN000930 PROJECT_ID:PR000445 VERSION 1 CREATED_ON May 26, 2017, 11:40 am #PROJECT PR:PROJECT_TITLE Comparing identified and statistically significant lipids and polar metabolites PR:PROJECT_TITLE in 15-year old serum and dried blood spot samples for longitudinal studies PR:PROJECT_SUMMARY The use of dried blood spots (DBS) has many advantages over traditional plasma PR:PROJECT_SUMMARY and serum samples such as the smaller blood volume required, storage at room PR:PROJECT_SUMMARY temperature, and ability to sample in remote locations. However, understanding PR:PROJECT_SUMMARY the robustness of different analytes in DBS samples is essential, especially in PR:PROJECT_SUMMARY older samples collected for longitudinal studies. Here we analyzed the stability PR:PROJECT_SUMMARY of polar metabolites and lipids in DBS samples collected in 2000-2001 and stored PR:PROJECT_SUMMARY at room temperature. The identified and statistically significant molecules were PR:PROJECT_SUMMARY then compared to matched serum samples stored at –80°C to determine if the PR:PROJECT_SUMMARY DBS samples could be effectively used in a longitudinal study following PR:PROJECT_SUMMARY metabolic disease. A total of 400 polar metabolites and lipids were identified PR:PROJECT_SUMMARY in the serum and DBS samples using gas chromatograph/mass spectrometry (GC/MS), PR:PROJECT_SUMMARY liquid chromatography (LC)/MS, and LC/ion mobility spectrometry-MS (LC/IMS-MS). PR:PROJECT_SUMMARY The identified polar metabolites overlapped well between the sample types, PR:PROJECT_SUMMARY though only one statistically significant metabolite was conserved in a PR:PROJECT_SUMMARY case-control study of older diabetic males with low amounts of high-density PR:PROJECT_SUMMARY lipoproteins and high body mass indices, triacylglycerides and glucose levels PR:PROJECT_SUMMARY when compared to non-diabetic patients with normal levels, indicating that PR:PROJECT_SUMMARY degradation in the DBS samples affects polar metabolite quantitation. PR:PROJECT_SUMMARY Differences in the lipid identifications indicated that some oxidation occurs in PR:PROJECT_SUMMARY the DBS samples. However, 36 statistically significant lipids correlated in both PR:PROJECT_SUMMARY sample types. The difference in the number of statistically significant polar PR:PROJECT_SUMMARY metabolites and lipids indicated that the lipids did not degrade to as great of PR:PROJECT_SUMMARY a degree as the polar metabolites in the DBS samples and lipid quantitation was PR:PROJECT_SUMMARY still possible. PR:INSTITUTE Pacific Northwest National Laboratory PR:LAST_NAME Casey PR:FIRST_NAME Cameron PR:ADDRESS 902 Battelle Boulevard, Richland, WA, 99354, USA PR:EMAIL cameron.casey@pnnl.gov PR:PHONE 509-371-6612 PR:FUNDING_SOURCE Portions of this research were supported by grants from the National Institute PR:FUNDING_SOURCE of Environmental Health Sciences of the NIH (R01 ES022190), NIH Eunice Kennedy PR:FUNDING_SOURCE Shriver National Institute of Child Health and Human Development (R21 HD084788), PR:FUNDING_SOURCE National Institute of General Medical Sciences (P41 GM103493), and the PR:FUNDING_SOURCE Laboratory Directed Research and Development Program at Pacific Northwest PR:FUNDING_SOURCE National Laboratory. This research utilized capabilities developed by the PR:FUNDING_SOURCE Pan-omics program (funded by the U.S. Department of Energy Office of Biological PR:FUNDING_SOURCE and Environmental Research Genome Sciences Program) and by the National PR:FUNDING_SOURCE Institute of Allergy and Infectious Diseases under grant U19 AI106772. The PR:FUNDING_SOURCE Osteoporotic Fractures in Men (MrOS) Study in the US was supported by the PR:FUNDING_SOURCE National Institute on Aging (NIA), the National Institute of Arthritis and PR:FUNDING_SOURCE Musculoskeletal and Skin Diseases (NIAMS), the National Center for Advancing PR:FUNDING_SOURCE Translational Sciences (NCATS), and NIH Roadmap for Medical Research under the PR:FUNDING_SOURCE following grant numbers: U01 AG027810, U01 AG042124, U01 AG042139, U01 AG042140, PR:FUNDING_SOURCE U01 AG042143, U01 AG042145, U01 AG042168, U01 AR066160, and UL1 TR000128. This PR:FUNDING_SOURCE work was performed in the W. R. Wiley Environmental Molecular Sciences PR:FUNDING_SOURCE Laboratory (EMSL), a DOE national scientific user facility at the Pacific PR:FUNDING_SOURCE Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE PR:FUNDING_SOURCE under contract DE-AC05-76RL0 1830. PR:PUBLICATIONS Comparing identified and statistically significant lipids and polar metabolites PR:PUBLICATIONS in 15-year old serum and dried blood spot samples for longitudinal studies PR:DOI 10.1002/rcm.7808 #STUDY ST:STUDY_TITLE Comparing identified and statistically significant lipids and polar metabolites ST:STUDY_TITLE in 15-year old serum and dried blood spot samples for longitudinal studies ST:STUDY_SUMMARY The use of dried blood spots (DBS) has many advantages over traditional plasma ST:STUDY_SUMMARY and serum samples such as the smaller blood volume required, storage at room ST:STUDY_SUMMARY temperature, and ability to sample in remote locations. However, understanding ST:STUDY_SUMMARY the robustness of different analytes in DBS samples is essential, especially in ST:STUDY_SUMMARY older samples collected for longitudinal studies. Here we analyzed the stability ST:STUDY_SUMMARY of polar metabolites and lipids in DBS samples collected in 2000-2001 and stored ST:STUDY_SUMMARY at room temperature. The identified and statistically significant molecules were ST:STUDY_SUMMARY then compared to matched serum samples stored at –80°C to determine if the ST:STUDY_SUMMARY DBS samples could be effectively used in a longitudinal study following ST:STUDY_SUMMARY metabolic disease. A total of 400 polar metabolites and lipids were identified ST:STUDY_SUMMARY in the serum and DBS samples using gas chromatograph/mass spectrometry (GC/MS), ST:STUDY_SUMMARY liquid chromatography (LC)/MS, and LC/ion mobility spectrometry-MS (LC/IMS-MS). ST:STUDY_SUMMARY The identified polar metabolites overlapped well between the sample types, ST:STUDY_SUMMARY though only one statistically significant metabolite was conserved in a ST:STUDY_SUMMARY case-control study of older diabetic males with low amounts of high-density ST:STUDY_SUMMARY lipoproteins and high body mass indices, triacylglycerides and glucose levels ST:STUDY_SUMMARY when compared to non-diabetic patients with normal levels, indicating that ST:STUDY_SUMMARY degradation in the DBS samples affects polar metabolite quantitation. ST:STUDY_SUMMARY Differences in the lipid identifications indicated that some oxidation occurs in ST:STUDY_SUMMARY the DBS samples. However, 36 statistically significant lipids correlated in both ST:STUDY_SUMMARY sample types. The difference in the number of statistically significant polar ST:STUDY_SUMMARY metabolites and lipids indicated that the lipids did not degrade to as great of ST:STUDY_SUMMARY a degree as the polar metabolites in the DBS samples and lipid quantitation was ST:STUDY_SUMMARY still possible. ST:INSTITUTE Pacific Northwest National Laboratory ST:LAST_NAME Casey ST:FIRST_NAME Cameron ST:ADDRESS 902 Battelle Boulevard, Richland, WA, 99354, USA ST:EMAIL cameron.casey@pnnl.gov ST:PHONE 509-371-6612 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS PO6573 OHSUblotter_PO6573_1 Sample_Type:blotter | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO6573 OHSUblotter_PO6573_2 Sample_Type:blotter | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO6573 OHSUblotter_PO6573_3 Sample_Type:blotter | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6716 OHSUblotter_PO6716_1 Sample_Type:blotter | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6716 OHSUblotter_PO6716_2 Sample_Type:blotter | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6716 OHSUblotter_PO6716_3 Sample_Type:blotter | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO6764 OHSUblotter_PO6764_1 Sample_Type:blotter | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6764 OHSUblotter_PO6764_2 Sample_Type:blotter | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6764 OHSUblotter_PO6764_3 Sample_Type:blotter | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO6882 OHSUblotter_PO6882_1 Sample_Type:blotter | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO6882 OHSUblotter_PO6882_2 Sample_Type:blotter | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO6882 OHSUblotter_PO6882_3 Sample_Type:blotter | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6927 OHSUblotter_PO6927_1 Sample_Type:blotter | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6927 OHSUblotter_PO6927_2 Sample_Type:blotter | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6927 OHSUblotter_PO6927_3 Sample_Type:blotter | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO6935 OHSUblotter_PO6935_1 Sample_Type:blotter | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO6935 OHSUblotter_PO6935_2 Sample_Type:blotter | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO6935 OHSUblotter_PO6935_3 Sample_Type:blotter | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6976 OHSUblotter_PO6976_1 Sample_Type:blotter | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6976 OHSUblotter_PO6976_2 Sample_Type:blotter | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6976 OHSUblotter_PO6976_3 Sample_Type:blotter | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO7117 OHSUblotter_PO7117_1 Sample_Type:blotter | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO7117 OHSUblotter_PO7117_2 Sample_Type:blotter | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO7117 OHSUblotter_PO7117_3 Sample_Type:blotter | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO7324 OHSUblotter_PO7324_1 Sample_Type:blotter | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO7324 OHSUblotter_PO7324_2 Sample_Type:blotter | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO7324 OHSUblotter_PO7324_3 Sample_Type:blotter | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO7355 OHSUblotter_PO7355_1 Sample_Type:blotter | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO7355 OHSUblotter_PO7355_2 Sample_Type:blotter | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO7355 OHSUblotter_PO7355_3 Sample_Type:blotter | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6573 OHSUserum_PO6573_1 Sample_Type:serum | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO6573 OHSUserum_PO6573_2 Sample_Type:serum | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO6573 OHSUserum_PO6573_3 Sample_Type:serum | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6716 OHSUserum_PO6716_1 Sample_Type:serum | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6716 OHSUserum_PO6716_2 Sample_Type:serum | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6716 OHSUserum_PO6716_3 Sample_Type:serum | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO6764 OHSUserum_PO6764_1 Sample_Type:serum | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6764 OHSUserum_PO6764_2 Sample_Type:serum | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6764 OHSUserum_PO6764_3 Sample_Type:serum | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO6882 OHSUserum_PO6882_1 Sample_Type:serum | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO6882 OHSUserum_PO6882_2 Sample_Type:serum | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO6882 OHSUserum_PO6882_3 Sample_Type:serum | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6927 OHSUserum_PO6927_1 Sample_Type:serum | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6927 OHSUserum_PO6927_2 Sample_Type:serum | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6927 OHSUserum_PO6927_3 Sample_Type:serum | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO6935 OHSUserum_PO6935_1 Sample_Type:serum | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO6935 OHSUserum_PO6935_2 Sample_Type:serum | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO6935 OHSUserum_PO6935_3 Sample_Type:serum | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO6976 OHSUserum_PO6976_1 Sample_Type:serum | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO6976 OHSUserum_PO6976_2 Sample_Type:serum | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO6976 OHSUserum_PO6976_3 Sample_Type:serum | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO7117 OHSUserum_PO7117_1 Sample_Type:serum | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO7117 OHSUserum_PO7117_2 Sample_Type:serum | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO7117 OHSUserum_PO7117_3 Sample_Type:serum | Factor:control Replicate=3 SUBJECT_SAMPLE_FACTORS PO7324 OHSUserum_PO7324_1 Sample_Type:serum | Factor:case Replicate=1 SUBJECT_SAMPLE_FACTORS PO7324 OHSUserum_PO7324_2 Sample_Type:serum | Factor:case Replicate=2 SUBJECT_SAMPLE_FACTORS PO7324 OHSUserum_PO7324_3 Sample_Type:serum | Factor:case Replicate=3 SUBJECT_SAMPLE_FACTORS PO7355 OHSUserum_PO7355_1 Sample_Type:serum | Factor:control Replicate=1 SUBJECT_SAMPLE_FACTORS PO7355 OHSUserum_PO7355_2 Sample_Type:serum | Factor:control Replicate=2 SUBJECT_SAMPLE_FACTORS PO7355 OHSUserum_PO7355_3 Sample_Type:serum | Factor:control Replicate=3 #COLLECTION CO:COLLECTION_SUMMARY Matched DBS and serum samples were simultaneously collected in 2000–2001 from CO:COLLECTION_SUMMARY 10 overnight fasted male participants having an average age of 75.5 ± 6.15 CO:COLLECTION_SUMMARY years. The institutional review boards at the participating institutions CO:COLLECTION_SUMMARY approved the protocol and the study participants provided informed consent. Case CO:COLLECTION_SUMMARY participants included 5 diabetic men with high BMIs, TGs and glucose levels, and CO:COLLECTION_SUMMARY low amounts of HDL. The 5 control participants had normal metabolic profiles CO:COLLECTION_SUMMARY (normal BMIs, TGs, HDL and glucose levels). CO:STORAGE_CONDITIONS The DBS were stored at room temperature in the dark until analysis, while the CO:STORAGE_CONDITIONS serum was stored at –80°C. #TREATMENT TR:TREATMENT_SUMMARY Samples collected in 2000–2001 were stored until June 2015. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For the serum samples, 10 mL of whole blood was drawn and centrifuged so the SP:SAMPLEPREP_SUMMARY serum could be extracted. For the DBS samples, 500 μL of blood was collected SP:SAMPLEPREP_SUMMARY and 125 μL was blotted in four areas on a Whatman FTA Classic Card. Polar SP:SAMPLEPREP_SUMMARY metabolites and lipid extracts were derived from the same sample type (DBS or SP:SAMPLEPREP_SUMMARY serum) using a modified Folch extraction in June 2015 and analyzed with MS SP:SAMPLEPREP_SUMMARY shortly after. The DBS punch from each patient was transferred into to a 2.0 mL SP:SAMPLEPREP_SUMMARY tube where 50 μL of water and then 1200 μL of –20°C 2:1 chloroform/methanol SP:SAMPLEPREP_SUMMARY were added. Each sample was vortexed for 30 s then transferred into a shaker at SP:SAMPLEPREP_SUMMARY 22°C for 60 min at 600 rpm. The samples were vortexed again for 30 s and then SP:SAMPLEPREP_SUMMARY 250 μL of water was added to induce a phase separation. The sample was gently SP:SAMPLEPREP_SUMMARY inverted several times, placed at room temperature for 5 min and then SP:SAMPLEPREP_SUMMARY centrifuged at 10,000 g for 5 min at 4°C and put on ice to maintain the clear SP:SAMPLEPREP_SUMMARY phase separation. Finally, 400 μL of the top polar layer was removed, dried in SP:SAMPLEPREP_SUMMARY a Speedvac, and stored at –80°C for analysis of polar metabolites, while 700 SP:SAMPLEPREP_SUMMARY μL of the bottom nonpolar layer was removed, dried in a Speedvac, and stored at SP:SAMPLEPREP_SUMMARY –20°C in 250 μL of 2:1 chloroform/methanol for lipid analyses. Serum lipids SP:SAMPLEPREP_SUMMARY were extracted using a similar procedure except 25 μL of serum was used and SP:SAMPLEPREP_SUMMARY then 600 μL of –20°C 2:1 chloroform/methanol was added. After vortexing and SP:SAMPLEPREP_SUMMARY shaking, 125 μL of water was added to induce a phase separation and 200 μL of SP:SAMPLEPREP_SUMMARY the top polar layer and 350 μL of the bottom nonpolar lipid layer were removed SP:SAMPLEPREP_SUMMARY and stored as outlined above. Prior to analysis, the total lipid extracts were SP:SAMPLEPREP_SUMMARY dried down and then reconstituted in 70 μL and 100 μL of MeOH for the DBS and SP:SAMPLEPREP_SUMMARY serum samples, respectively. To generate pooled case and control samples for SP:SAMPLEPREP_SUMMARY LC/MS/MS and LC/IMS-MS analyses, 5 μL aliquots from each reconstituted DBS and SP:SAMPLEPREP_SUMMARY serum sample were removed and combined. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters NanoAcquity CH:COLUMN_NAME Waters Acquity HSS T3 (150 x 1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Velos Pro Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak MS_METABOLITE_DATA_START Samples OHSUblotter_PO6573_1 OHSUblotter_PO6573_2 OHSUblotter_PO6573_3 OHSUblotter_PO6716_1 OHSUblotter_PO6716_2 OHSUblotter_PO6716_3 OHSUblotter_PO6764_1 OHSUblotter_PO6764_2 OHSUblotter_PO6764_3 OHSUblotter_PO6882_1 OHSUblotter_PO6882_2 OHSUblotter_PO6882_3 OHSUblotter_PO6927_1 OHSUblotter_PO6927_2 OHSUblotter_PO6927_3 OHSUblotter_PO6935_1 OHSUblotter_PO6935_2 OHSUblotter_PO6935_3 OHSUblotter_PO6976_1 OHSUblotter_PO6976_2 OHSUblotter_PO6976_3 OHSUblotter_PO7117_1 OHSUblotter_PO7117_2 OHSUblotter_PO7117_3 OHSUblotter_PO7324_1 OHSUblotter_PO7324_2 OHSUblotter_PO7324_3 OHSUblotter_PO7355_1 OHSUblotter_PO7355_2 OHSUblotter_PO7355_3 OHSUserum_PO6573_1 OHSUserum_PO6573_2 OHSUserum_PO6573_3 OHSUserum_PO6716_1 OHSUserum_PO6716_2 OHSUserum_PO6716_3 OHSUserum_PO6764_1 OHSUserum_PO6764_2 OHSUserum_PO6764_3 OHSUserum_PO6882_1 OHSUserum_PO6882_2 OHSUserum_PO6882_3 OHSUserum_PO6927_1 OHSUserum_PO6927_2 OHSUserum_PO6927_3 OHSUserum_PO6935_1 OHSUserum_PO6935_2 OHSUserum_PO6935_3 OHSUserum_PO6976_1 OHSUserum_PO6976_2 OHSUserum_PO6976_3 OHSUserum_PO7117_1 OHSUserum_PO7117_2 OHSUserum_PO7117_3 OHSUserum_PO7324_1 OHSUserum_PO7324_2 OHSUserum_PO7324_3 OHSUserum_PO7355_1 OHSUserum_PO7355_2 OHSUserum_PO7355_3 Factors Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:case Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:blotter | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:case Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Sample_Type:serum | Factor:control Cer(d16:1/23:0) 21696.30469 17129.98438 4149.232422 31609.8418 34553.76563 32216.02539 32940.99609 25436.07422 24127.36914 10861.35156 10559.71484 10820.55176 15939.19824 13136.81641 9023.589844 30639.33984 18513.29883 16190.79785 42878.33594 23800.9375 24464.98047 20882.98828 18294.43555 20762.49609 25358.19531 27271.65234 29837.59375 15592.58691 12996.36816 12247.08496 27808.94531 30777.12109 29095.45313 77060.75 66242.48438 93742.85938 36147.625 57045.52344 70240.15625 14143.20215 14405.5166 15973.83008 15981.37305 15742.58203 19685.67578 26290.2832 35542.32422 33215.24219 39974.22266 43304.53516 49015.58984 19194.55469 28871.78906 35266.87109 11110.39258 14958.83008 22113.35352 16290.11719 21563.24219 20142.44336 Cer(d18:1/16:0) 461533.8438 481874.0625 101569.8438 302099.0313 234704.6406 330383.4375 376006.125 280547.1563 292543.1875 248313.4063 306986.8125 253258.7969 258024.8125 219821.8125 131271.9688 425229.6875 339967.7188 343771.8125 392490.5938 326274.5625 236403.5313 353312.2188 342216.8438 363757.9375 329428.2188 349411.625 173544.8281 317347.1875 248055.9375 206869.0938 103185.75 160136.8125 147951.9063 121298.3984 107606.4219 163530.9063 63279.35547 121652.9141 128897.0391 81682.42969 82287.14063 82405.64844 55679.02344 73773.67969 96605.46094 130003.3359 149884.4063 159440.25 74615.30469 94428.26563 83848.9375 92510.60938 127889.9297 153213.125 40697.50391 71316.89844 67661.71875 73389.08594 99858.00781 90249.11719 Cer(d18:1/18:0);Cer(d16:1/20:0) 66469.50781 77642.84375 22305.70508 55232.26563 101504.5859 111850.7813 88163.20313 69949.10156 34396.34766 42069.43359 41925.21094 34253.00781 51485.65234 58308.16797 35002.91016 103985.8828 80320.14844 76213.46875 86909.40625 62627.20313 46405.91797 132735.4688 116562.0625 108074.4844 73030.10156 85851.35938 105274.75 76614.19531 51066.63672 41082.13281 18206.98047 34468.46484 34306.10938 52806.89063 50663.31641 69851.84375 27256.08789 51075.03516 47957.51563 15490.82715 20729.84766 24681.50391 35037.74219 46525.89453 53021.22266 40727.72656 36599.79297 40747.07422 14665.30664 21976.15625 19800.18945 27118.02148 38812.09375 52919.13672 13583.60254 15342.33496 24671.19727 18471.33789 24240.32617 23639.13672 Cer(d18:1/20:0) 53606.09375 44411.60938 11947.16406 47732 51226.96094 54968.82031 52229.64844 40775.60156 43310.14453 25203.1582 24766.85352 24133.14648 32312.48438 37395.76953 23245.5332 60603.17578 30326.2793 41138.83203 56170.41406 50187.81641 43106.40625 53803.43359 57040.96875 56555.33984 48906.97656 50045.98438 45230.41016 41100.38281 23597.50781 23450.88281 26349.60547 33512.59375 30731.52344 62246.58984 55831.25391 88505.375 38495.89453 75826.21875 84365.375 16993.00781 14862.03516 16124.27832 23073.57031 23265.89844 23002.23633 32538.01758 37642.44531 34239.125 48624.13281 48684.77344 57700.60938 29417.33398 33802.44922 38101.00391 13415.07227 20718.45508 20420.60156 19883.14453 25820.84375 25294.78711 Cer(d18:1/22:0) 349831.4375 254900.6406 78424.83594 383848.0313 362007 388897.4063 443671.9688 365172.1563 310690.625 244252.375 175674.875 103508.5859 225633.5469 248304.7969 178914.2656 379231.4688 301283.9375 305556.9688 514762.625 553132.3125 540232.8125 390816.4063 382262.0938 361837.375 341435.4688 416860.0938 340029.0625 393924.5625 215148.9063 273481.9063 237793.9531 322502.1875 275555.1563 485144.5938 496203.6563 590547 317686.5938 519651.25 468197.0313 157779.875 163583.4844 215958.5313 216158.5781 259978.2813 242036.9219 243800.5313 338721.3125 338143.1563 359226.0938 389722.8125 330271.5625 322567.9063 351168.9063 444980.5625 129794.2266 178089.0938 190961.6719 277611.2813 310792.9063 274754.9688 Cer(d18:1/23:0) 129459.4063 145401.4688 39331.21484 286533.4063 254882.9375 286656.125 284673.8438 237093.0469 226399 141768.6563 103645.0156 92709.84375 158967.375 152943.9375 106904.5 279084.25 138077.7813 174982.8281 369327.2813 269058.1875 249434.7969 203509.2031 187566.1719 103200.0547 196569.9219 190687.7969 154094.9844 194849.8594 146901.875 153495.7344 322428.6563 393830.7188 353489.4688 611967.875 587963.875 647587.25 381682.0625 528349 530859.25 234365.8906 272389.6563 270942.3125 234035.0469 250507.5313 248116.75 415252.75 460297.25 470751 371777.4063 361617.0313 370457.875 295247.5938 392542.4063 496113.375 128990.6797 187910.9688 191981.5156 301834.8125 388951.1563 300519.7188 Cer(d18:1/24:0) 1139913.375 737932.4375 159509.2969 1088033.75 1231513.25 1189421 1485036.125 964396.5 862350.9375 658059.0625 433223.4688 451185.6875 846726 925959.8125 402440.1563 1215814.875 759133.3125 557073.4375 1309681.875 1945834.375 1570850.5 997176.3125 966141.5 912639.5 1261893.25 1093702.875 510964.5313 872526.0625 622797.6875 782590.8125 722312.1875 926534.4375 765020.625 1229947.75 992312.625 1324052.625 927321.875 1177522.625 1421248.375 716161.625 746641.9375 790640.25 572060.6875 536718.625 573355.4375 964092.625 1074326.875 1056297.375 996841.9375 1126262.375 1068649.125 833779.5625 968157.875 1258391.625 334605.4688 496398.9375 509630.5 769806.5 941237.4375 729830.1875 Cer(d18:1/24:1) 1614871 1591629.625 452232.4688 1226662.5 1129153.375 1099732.375 1330003.125 1183077.25 1007718.563 800126.75 782396.3125 288607.4375 780376.1875 785295.9375 582974.1875 1183693.875 1154895.25 1035138.25 1846837.125 1409529.125 1303823.25 1220875.125 917081.4375 1046017.438 1679121.125 1741375.875 1825295.875 933367.375 543609.8125 764269.1875 546030.1875 829843.1875 696127.1875 455612.2813 519199.9375 610756.4375 393951.0625 663367.25 570326.875 326151.375 355940.3438 350544.4688 329290.875 231877.1406 443657.9688 443506.75 585250.25 531877 390993.625 546442.875 520817.5625 274375.0625 422711.8438 526124.3125 225623.1094 291632.875 366752.4063 329972.25 504785 429432.8125 Cer(d18:1/26:0) 65323.18359 49550.41797 15692.55078 78018.60938 73267.54688 90373.57031 119585.7344 71783.11719 86698.73438 48326.01953 29486.90234 27233.10547 53546.95703 65274.23438 35673.25 77712.41406 48677.75781 60386.45703 129873.7578 149494.9375 104213.0313 75011.45313 68748.41406 73232.64844 81234.64063 69016.84375 75699.82813 62439.58203 48946.63281 51176.71875 24351.56055 22800.80469 19386.72852 34361.54297 34150.26953 40979.86328 23758.47266 27732.7793 26969.70508 18791.48438 14799.91309 17065.55664 13432.0957 13260.86426 10631.24414 25230.97266 31804.88867 33165.55859 17004.70117 30148.82031 26183.05859 26373.90625 27224.79688 37308.08984 9007.768555 10948.85352 13263.59961 24292.12305 26068.66602 20370.23633 Cer(d18:1/26:1) 60569.24609 61888.11328 15314.28613 42903.99609 52331.53906 51455.45313 70012.89844 42857.98828 39968.40234 30864.7793 24004.71289 22698.01758 48778.84766 40196.19531 22210.35742 55978.27734 29761.53711 35928.89453 65533.39453 49731.03906 55882.59375 51644.01563 37587.78125 41617.97656 61552.25 60236.84375 48410.89063 47735.32031 30082.58398 32238.3125 9189.414063 17952.02148 14096.62598 15679.35547 16046.25391 14641.17188 7384.217285 15679.84375 16869.46094 7656.118164 5788.329102 6728.773926 10207.63965 10614.68945 12568.73633 12816.72656 14947.30273 17273.97852 8688.764648 10134.81641 11615.70117 7354.707031 9604.405273 10050.43848 6166.121582 8237.681641 10990.33789 6683.109863 11269.99707 9393.194336 Cer(d18:2/16:0) 17330.16406 11136.8584 7224.84082 9128.541992 11239.44922 13131.73145 7590.564453 14539.4541 15245.11914 6299.118164 15399.70996 12023.72656 4661.799805 2789.850098 4460.170898 17348.88867 15371.06641 16178.83105 9449.955078 13042.9502 9422.665039 12531.23535 11591.39355 12208.45605 9686.295898 13941.09766 12486.6377 10495.98145 9042.105469 7086.415527 9921.594727 14610.4668 10760.33203 14124.94141 11298.64258 16771.93945 7818.925781 12329.16895 15601.39551 11096.3584 12518.26855 12758.79102 6381.226563 5950.231934 7449.66748 13024.49121 17379.39844 18771.65234 6235.04541 8344.875977 12211.80469 8903.597656 12535.2002 16725.07617 4863.792969 5328.209473 7504.043457 7456.103027 11641.78027 13438.91992 Cer(d18:2/22:0) 82055.71094 93904 25516.04688 73521.8125 80361.03125 73716.07813 82519.48438 70139.53906 57057.91016 48327.15625 51687.42969 43700.22656 36714.73828 33001.04297 25212.60742 99356.125 78265.95313 77076.89844 96037.60938 82216.875 69111.89063 69421.53125 79905.38281 85775.99219 96644.32813 114377.9141 93608.4375 101295.9375 71347.26563 61216.73438 46464 61152.62891 52559.22656 83460.14063 74502.82031 119828.6406 64275.48047 106486.0547 121919.3281 34668.71484 35553.94531 35835.44141 31956.69336 29439.73438 41237.07031 50698.78906 62402.35938 59338.75 70557.67969 74542.51563 94905.13281 54540.74219 72323.48438 83362.92188 17968.47461 26924.25781 28989.35156 42954.43359 69255.64844 57237.75 GalCer(d18:1/16:0) 37155.65625 39911.16016 17692.88867 18663.36328 18357.64648 24406.42383 19939.75977 20693.93555 17960.4668 26001.57227 27156.83984 32157.9668 26157.66406 19291.27734 17448.44336 49750.07031 35198.85156 42121.33594 19792.48633 18140.53125 13379.75195 25101.68164 35414.11719 39129.37109 16980.79492 24033.37891 37175.0625 43181.625 28592.81836 32217.05078 49544.18359 65270.85547 67110.09375 35436.89453 29391.16016 48490.40234 20757.38867 30723.23438 34618.28516 40866.76563 45982.00781 54746.39844 23429.7207 33440.50781 43513.14453 67237.14063 82414.99219 83211.95313 19983.09375 23204.9043 27495.59766 45928.37891 51756.125 54442.36328 27516.67969 39070.86328 45218.52344 43605.55078 57802.38281 59219.78125 GalCer(d18:1/22:0) 51660.69922 32500.76563 9285.907227 24542.84375 12972.4834 24052.8418 26152.98242 23496.38867 13417.92969 24949.94922 21376.36523 15608.87402 33878.25781 23907.78906 19227.48242 58463.92969 40079.73438 36197.52344 19944.1582 26564.21289 20198.02539 36102.58984 46690.625 32826.72656 17940.78906 30287.95313 37121.80078 48127.42969 35349.37891 38373.85938 95067.09375 117583.8594 137175.25 49346.49609 52525.16406 72709.85156 46635.17188 62889.01172 62922.41797 68196.54688 77469.00781 72469.47656 44766.42188 39385.07031 49758.74219 147677.9063 145658.7969 158519.2188 30436.27734 35837.33203 37414.48438 116668.8281 147793.1406 182484.1563 38470.30078 53869.51953 68372.02344 99386.58594 118101.1172 92923.92188 GalCer(d18:1/24:0) 40410.49609 29679.92383 11028.24121 21299.51367 27108.37891 18168.49805 29840.14258 20934.35742 15247.9209 27445.73047 21603.76172 18853.49805 26121.42578 29891.17773 15805.21289 74375.24219 25477.81055 31474.13672 23324.40234 41392.66797 21426.75977 38926.66797 39380.125 43587.60938 31265.03125 30888.43359 22201.16797 32612.42969 30084.49219 24231.86328 122106.5781 137106.9375 153613.0313 51341.3125 55366.93359 59588.52344 53090.01953 64290.61328 69231.08594 72949.35156 78799.92188 81420.45313 48048.78125 46251.84375 46141.41406 129761.2578 162420.5313 154399.9688 30953.37695 36852.02734 39717.01172 100620.1016 114155.8594 165490.7969 37732.53516 56931.59375 68773.94531 96517.11719 86429.08594 91212.53906 GalCer(d18:1/24:1) 34673.53125 39869.47266 19135.58984 15188.6123 8917.834961 11994.45313 10552.53125 14388.31934 12405.46387 18028.0293 18615.16797 14431.97168 18653.43164 15485.88281 10509.6748 31874.35938 33420.71875 32571.79297 10343.30957 10537.12305 8739.293945 24549.99805 24451.06641 16554.10938 7270.86084 20845.16602 19774.07227 23798.43555 25951.02148 16904.21289 104046.9688 142985.125 131759.1563 32313.19531 33793.08984 44310.10156 18148.08594 38045.05469 36361.26953 48097.13281 53555.81641 61026.09766 22583.86719 28129.74023 31118.73633 72220.89063 95327.57813 98950.67969 20060.8125 25999.61328 24435.96289 51675.75781 57715.37891 71088.26563 24069.93359 36676.96094 37127.41016 47861.14844 61674.01172 62727.52734 PE(16:0/0:0) 528144 705382.625 220310.0938 196639.6094 220459.5 201612.8594 217022.6875 217769.0313 187526.5469 312284.375 408614.2188 436305.5313 185399.4063 232124.5469 121529.8906 238268.5 203247.7344 201491.4688 648509.4375 622666.5625 567532.1875 300258.875 246992.3281 331712.75 422812.5 440955.8438 509206.625 509469.0625 304066.5938 315690.3125 58160.09766 97009.39063 102492.5078 65886.89844 64344.64844 80231.58594 45189.88672 89426.58594 111690.8125 69377.14063 76278.79688 80387.11719 28058.54688 28752.04102 43945.10938 58768.53516 66279.17969 67162.40625 39385.77734 70838.35938 68174.14063 60896.21875 93137.46875 94237.34375 31125.61914 43270.96484 60601.14453 62729.92188 88162.60938 96492.0625 PE(16:0/16:1) 26468.60742 30207.89063 6927.411621 18569.38867 20107.26563 17009.80469 12746.70215 13952.37012 11695.08398 11052.77832 20097.18945 15407.33496 25655.54492 24119.70313 9234.645508 16803.36133 4978.336914 6342.834473 35050.59375 19620.82617 12117.40625 7291.925293 11903.78809 9995.457031 22038.67188 31778.3457 29985.49219 19604.23828 10185.24121 11808.58887 11238.84277 8821.583984 10529.74316 23012.82227 19269.53516 23522.53516 12246.60645 15536.20117 19335.49414 7213.400879 7441.257813 9975.663086 12668.46777 13242.90918 19754.47266 6208.248535 7576.12793 8194.554688 21808.83984 25265.25195 24923.94141 8034.935059 5689.034668 8357.182617 11304.80566 16147.10742 21270.07617 5500.438477 5285.462402 7885.962891 PE(16:0/18:0) 71705.36719 103631.8125 12594.74609 128398.4609 110300.9375 45845.50391 115180.625 99254.78906 96075.35938 83874.29688 87928.99219 93513.26563 72635.46875 71167.75781 40601.66797 119377.8281 25779.55469 94528.5 250712.3125 190918.9688 164545.625 91506.35156 100177.125 122484.0938 107540.5234 114124.4844 137852.875 118550.1563 98542.27344 83612.22656 1740.422607 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1845.609375 0 0 1726.814331 0 0 0 0 0 0 0 0 PE(16:0/18:1) 1863148 1827400.25 888711.9375 989503.6875 977980.8125 972922.8125 1107466.125 973150.125 1041156.313 1174905 1326190.25 1204883.625 1171718.625 1297937.625 681965.125 1052854.75 910781.875 636702.25 2350088.25 2068275.875 2019322.375 867375.375 945385.625 812554.1875 1183083.125 1686680.25 1643157.5 1494570.75 1125709.625 1167348.875 122178.1172 152989.4688 139204 147560.2031 147706.1875 167456.5156 105302.6172 151657.9531 159594.9375 40063.00391 48550.67578 53771.08203 111807.4141 124177.7578 172348.8281 48770.27344 56838.78516 59050.96094 246386.7344 303313.6875 300811.1563 38037.92578 49287.33203 52631.65625 93419.27344 129706.4375 182863.3125 65740.11719 84762.90625 80834.00781 PE(16:0/18:2) 362140.125 434403.5938 175597.9063 215408.75 229609.2969 224837.5156 374308.7188 381586.875 308830.7813 276224.0313 338006.75 312750.9063 296143.7188 298711.9375 183897.2344 241835.6875 197194.9375 177270.2656 447485.5313 295334 272040.75 161014.4688 223232.4219 208629.4063 422692.2813 404154.9688 429543.125 456927.9688 344284.875 265171.4063 304745.2813 428068.0625 390805.75 167999.4219 173477.4375 248535.8906 280413 503376.375 558203.1875 131357.375 140155.1094 144740.4844 167721.3125 188480.5156 259034.75 185896.25 225726.9531 234631.375 513361 667099.4375 736383.25 107385.7656 144358.6094 156287.7813 156654.1719 208595.5938 279832.625 220149.2344 302486.5313 314160.125 PE(16:0/18:3);PE(16:1/18:2) 218063.9688 381963.9063 57504.97656 85285.69531 74048.61719 39761.40625 152237.8281 135575.7188 108153.3516 163024.9531 183217.9844 187650.5 120194.0625 126169.2344 56459.05469 118500.8203 41719.15625 96322.70313 294381.5 218101.3594 138482.4219 84761.27344 97789.75 88281.66406 323436.6875 343283.2813 332422.4063 323165.75 217699.9375 199671.0781 124524.9063 134739.5 116571.4141 39409.86719 37471.93359 58340.32813 131683.2969 178565.1094 213070.0938 57014.74219 52754.80859 59201.76953 37496.54297 43266.65625 65287.88281 73106.15625 82658.47656 69337.07813 209595.5781 253657.5938 210110.5 49664.63281 58637.91406 59223.21484 54291.00781 78833.35938 103704.1641 104374.2109 135326.1406 133095.9375 PE(16:0/20:4) 934949.6875 917615.9375 391202.9688 707264.6875 687824.375 440096.9063 298716.5313 282279.0625 274251.1563 402443.9375 611351.25 421769.4688 444713.2188 500582.9688 299042.4688 375892.1563 378688.375 284144.3125 740366.0625 563984.0625 564367.6875 390940.9063 317745.7813 396077.375 665705.625 889170.875 768897.9375 713370.875 596313.8125 540055.0625 318796.5313 547322.5 520938.9063 403515.7188 399741.8438 547870 217609.6875 401926.5 489837.4063 163280.9219 178409.9844 197172 226412.0625 226607.1875 336095.2813 172011.6563 218065.3906 242448.5625 521018.0625 688817.9375 798263.1875 120749.6563 158410.4844 209151.0156 184509.25 316286.9063 375112.5625 232609.4531 278057.75 323487.5 PE(16:0/20:5) 1590004 1746702.875 175319.3906 276514.3125 256616.0938 87806.97656 291464.25 238878.2031 244282.2813 349060 478580.4063 518423.0938 127131.1406 161364.5938 74703.34375 419219.0625 71875.14063 366908.8125 661569.4375 521907.1563 391793.7813 104592.8359 175970.3125 236243.1719 470639.4688 539490.9375 561495.9375 342889.6563 232496.3906 196948.6719 447119.8125 545126 574033.1875 265053.4688 274685.8125 347210.0625 276748.0938 468099.8438 519983.625 124356.6563 130489.2656 132949.375 67499.22656 89729.77344 108532.4063 130086.0625 197674.2969 210580.7656 321033 488013.8125 424493.9688 61227.97266 94411.79688 85683.97656 72425.76563 163739.0469 216520.1094 131759 182113.5781 168093.5625 PE(16:0/22:4) 273269.9688 262229.75 138773.7344 246524 138468.1875 239516.9219 151193.0469 93450.21875 116131.0234 135279.0781 189964.0781 144458.5156 164772.9688 182600.5625 111531.2266 140543.6406 144835.75 129180.3359 220665.6875 202227.0156 166044.8906 198730.8438 251073.9219 262405.25 297521.875 288164.0938 295124.0938 236643.5 190875.3281 157982.25 9373.491211 16159.60742 18384.58008 28692.90625 28041.06641 42603.13281 13446.2959 22883.86523 24552.41406 7781.480469 10991.68945 9869.891602 9778.197266 13312.92383 17580.99219 10532.23926 13747.37695 11310.50098 41321.13281 55955.71094 56104.14453 6467.131348 11077.76758 9583.93457 16607.63086 22333.40234 20263.41406 15627.35059 19114.19531 20222.91016 PE(16:0/22:6) 551397.75 788888.125 168531.8594 159024.2813 108938.9688 134619.625 113961.4297 119449.0938 131269.3438 123028.5391 151353.8125 187097.3906 128079.8203 118967.8906 69446.38281 175054.7031 158973.3125 142794.8438 322879.1563 324629.2813 137648.9688 148587.7656 168432.5313 190526.4063 222297.1406 242154.1875 235490.4844 170949.1719 186467 123786.8516 1028728.875 1511677 1836439.5 495054.0313 568603.25 717822.375 572194.75 1193601 1207009.5 372197.4688 432517.9688 466297.0625 228860.4375 363418.3125 589408.875 455142.625 574537.875 573699.6875 1001271.375 1331636.875 1609161 170625.75 267354.9063 291177.2188 336614.0625 557958.875 657607.75 443528.9063 682375.3125 666354.9375 PE(18:0/0:0) 572418.875 576829.5625 199583.2969 404558.1875 350206.7188 348953.5938 364362.4063 248610.4531 271552.375 342128.9688 368173.3125 366823.1563 287031.0938 291798.9688 162698.9844 419071.5625 233077.4063 268650.625 661211 658403.625 525173.3125 527173.375 535093.5 507386.9063 428981.625 561651.6875 566415.5 657821.625 339130.6875 344003.7813 110284.7891 191613.5469 172969.3281 145615.1406 154062.1719 196754.125 94375.03125 193821.3281 221448.625 108946.9375 138734.9063 125680.6875 57443.10156 72031.90625 105201.3516 129400.2188 157165.7188 166486.1406 116239.6484 165657.8594 177621.0781 131688.8594 196072.0313 248042.6719 57572.84766 88274.47656 99588.83594 166746.1875 202783.0938 235787.9844 PE(18:0/18:1) 708195.9375 703012.375 277082.875 251665.1094 375754.6875 372931.9375 314150.875 284617.375 202980.2813 269717.6875 342914.125 301749.0625 342927.4375 334951.125 175666.2188 384126.4375 307720.25 297929.1563 690257.1875 548698.25 525913.4375 321228.4688 379945.0625 314370.5313 575540.5 548455.3125 599308 596764.75 425186.0938 335250 134594.2188 204639.6563 185081.6563 170569.0781 175841.5938 224000.0156 88104.85156 159416.2344 172306.4219 30524.54297 36311.48438 38835.22656 124470.7813 169364.8281 188262.3281 65028.24219 72366.4375 73531.55469 286541.4063 393758.5313 372046.6563 60594.08203 86995.92969 92545.07031 79755.34375 116860.2578 142322.4531 119187.4609 150776.7813 157487.6406 PE(18:0/18:2);PE(18:1/18:1) 792780.75 830480.0625 294119.0938 398743.8438 314198.4688 281119.5 432570.9375 352945.5 408912.9063 324179.9688 441966.8438 388190.375 425526.0938 450389.6563 287568.25 375505.25 310927.0938 291652.9688 1066182 802033.25 540947.1875 339349.5313 304223.0938 358265.4375 647420.5 651697.4375 729272.1875 785099.75 601428.75 435012.375 796169.125 1104031.375 1093663.625 666877.125 736700.3125 934863.9375 940534.3125 1311463.375 1554446.75 277012.3438 310372.5625 332645.0625 601377.625 748694.25 866084.6875 544373.3125 654924.6875 612808.875 1366208.375 2020935 1902303.625 430446.4063 562642.25 660475.25 399475.4063 582368.125 687342.0625 827637.3125 1093153.875 1057990.375 PE(18:0/20:3) 153904.5469 180448.75 44229.57422 60936.79688 87350.64844 80561.66406 117893.1797 85465.64844 77052.42969 52473.30078 55383.61719 41794.07031 50540.96094 48424.125 22657.08398 111039.7969 55517.25781 58674.10938 253088.5469 147846.625 139830.75 74348.72656 75402.58594 65746.39844 81591.86719 115533.1484 86986.51563 143865.5469 105507.2031 83431.70313 161212.7188 136865.9688 113041.75 120038.5938 143122.2344 181579.7813 217175.6563 180090.4688 230198.5469 25916.50391 31033.77148 29567.11523 50157.34766 65716.76563 84140.30469 55145.99609 74692.25781 67416.76563 640238.375 582528.625 580944.6875 49067.83594 40664.15234 45341.125 61158.19141 93884.61719 102629.2813 74850.42188 98700.63281 102230.0703 PE(18:0/20:4) 1383051.5 1160050.625 647095.75 1238478.625 1099460.125 1075881.625 571151.875 592351.1875 524065.6875 524280.6563 755726.3125 633562.875 487686.6563 710929.8125 466612.2188 862335.8125 715294.1875 710861.5625 1134161.25 785344.25 413674.7813 911417.125 1005711.313 888373.4375 1195584.25 1214204.875 1267433.25 1283671 1133941.375 989824.8125 937227.6875 1269936.75 1363479.375 1193870.75 1392741.25 1686221.25 640869.1875 1094875.25 1195134 413030.4375 519981.5 469060.25 808808 878468.75 1241489.5 606296.25 711508.125 752370.375 1562530.75 2072014 2196948.25 457971.9375 630351.3125 698526.4375 534820.1875 899948.5625 989431.4375 797718.8125 1127851 1151354.625 PE(18:0/22:6) 135934.6719 155341.0156 67818.92188 55798.13672 61728.49609 49797.96484 44227.80469 44798.22656 35831.21094 34831.96875 42266.44141 38857.94141 30454.57617 34431.32813 21162.02148 44923.35156 37590.95703 35644.05469 82381.42188 71196.48438 56866.18359 38773.48828 51667.82813 44443.36328 44975.66797 61709.42188 67596.07031 71404.07031 52603.57813 34361.52734 298565.4688 412330.0313 430034.4375 181474 169990.2188 238744.4844 190337.2656 311623.7188 311129.8438 79009.94531 93310.84375 98015.625 106360.2656 136952.1719 186574.8125 102482.0547 131000.9688 128131.5938 361410.8438 460940.5 467906.625 49736.41406 72045.25781 82935.33594 108822.2109 162182.8281 200651.2656 132259.5781 159929.7813 158836.8594 PE(18:1/0:0) 662867.8125 982028.1875 231659.3281 325475.8125 296144.2188 315801.4375 384459.9063 344726.6875 218661.8125 434969.6563 596994.75 636687.8125 330169.5938 392394.125 210597.7344 389959.2813 334759.5313 324952.1563 959803.375 863984.875 740537.4375 570456.8125 620708.875 626352.5 666852.9375 811743.3125 778071.1875 729260.625 494924.0938 523116.7813 68097.30469 111569.7969 130902.4453 81060.94531 91773.77344 143872.3125 57833.78125 110036.5547 131198.25 67319.64844 97675.60938 104286.7266 43407.12109 44801.97266 76205.71875 70015.21094 95004.34375 116316.7656 73714.17188 157784.0938 153746 87319.10156 158486.4531 192586.8281 33978.73438 55517.29688 76191 100583.6094 182465.8594 163142.5625 PE(18:1/18:2) 496719.0313 549545 220031.0313 208655.2344 188795.3594 155222.6563 387494.3438 400488.625 337101.5313 321338.5625 372190.9063 341238.25 217107.9844 266406.9375 160479.1719 323434.375 308399.1875 277075.9063 504284.5 425243 304217.0313 279546.2813 363387.6875 358400.5 490249.2813 449219.6875 505495.75 409739.875 312733.5313 456040.6875 137641.4844 184502.2656 182325.8594 64527.12109 70009.24219 90860.95313 98783.5625 199337.6875 200452.0469 55996.05859 62518.73438 63827.83984 58453.02734 71273.28125 95842.67969 82859.03125 103402.25 100432.8047 367526.6563 503072.0938 539448.0625 52340.96875 70344.17188 77127.34375 44114.51172 63531 81562.25 178063.4531 221433.6875 219950.1406 PE(18:2/0:0) 193827.375 199296.0938 77968.84375 47435.87891 62704.58203 61368.39063 140391.0781 119952.8047 140575.375 135831.2656 211232.5 201417.5625 90874.89063 87705.25781 61051.00391 119825.6094 112056.6016 113514.9297 211160.3594 215670.9063 157884.5313 189652.7813 206856.0469 196716.8906 174916.4531 196127.0938 187953.1094 302308.4375 190177.7031 192450.2031 124833.7813 190181.9688 178916.5781 89771.24219 91451.78125 124710.7422 112980.0547 251298.4844 289807.0625 176680.6719 220575.8281 237979.2031 75847.00781 84332.73438 116188.8359 167864.1719 199178.8906 223071.4688 125652.3359 203783.75 221895.625 157800.75 260927.3438 336326.0938 69349.25 83202.67188 108629.0547 183860.2969 246254.6406 259419.5156 PE(18:2/20:4) 1700487 2028514.875 227592.8906 756512.4375 501926.5625 407483.9375 1106044.625 974132.4375 892368.9375 865928.6875 632834.9375 778097.625 418142.875 495846.5625 230132.5469 760546.75 343462.5 553130.75 867313.5625 704481.875 412385.3125 1073224.25 1109533.375 1161720 1103791.625 1088255.25 1119819.5 2249779.25 1675710.625 1424030.875 83932.02344 100586.2344 101528.7734 57530.50391 65666.65625 84844.85156 79595.67188 133981 162241.4844 55194.97656 51914.10547 60826.26172 48058.07813 54774.58984 80552.55469 80469.35156 88533.46875 80642.82031 161613.5469 173552.5625 155047.4844 79014.63281 93101.35938 90621.07813 34223.10938 48783.07031 63377.86328 125129.3828 156862.4375 145573.5781 PE(20:3/0:0) 76403.86719 115137.1641 27587.90234 50021.52344 32080.86133 15340.47363 43393.25781 30851.0918 32351.19531 24767.99219 56296.10547 43020.63672 17765.58398 12213.06445 6233.383301 39765.39453 29556.38477 25827.06055 98196.20313 100815.9375 64501.52734 39477.69531 52053.13281 55818.03125 35956.44922 48717.92969 47317.83594 58387.58984 34035.82031 41476.88672 11315.33203 16773.7793 18572.55859 13082.48926 16013.70703 21852.85352 12523.93066 27852.64648 35788.30078 12932.69336 17725.40234 21838.91016 4591.450684 6958.097168 10444.11621 15220.46191 22119.85352 22459.10547 19973.23047 28056.45117 37129.58203 15164.18457 23494.55664 21036.56836 6400.226074 11679.26758 13016.34766 16021.68555 23005.63281 19666.15234 PE(20:4/0:0) 485683.75 490590.4375 220073.0156 382161.8438 334268.0313 327288.3125 208572.0156 186939.6719 145450.0156 293629.7188 355856.2813 372586.6875 201548.9375 272159.8438 124157.2578 248606.5313 251304.375 242243.6094 523817.25 341109.5 360041.75 394511.7188 382000.2188 449434.1563 386537.0938 466135.375 485713.4375 504716.7188 378128.0625 319803.2188 75746.71094 140054.4063 146704.2813 126303.9844 126458.4219 198411.4219 60942.80078 109942.6016 129957.6406 129959.2891 192339.5469 185404.1563 68641.10156 97366.48438 129195.3906 112199.0781 163685.7656 159109.5156 81192.8125 145820.0781 157219.3594 126771.2344 193899.4688 213472.4688 56302.55469 103326.5547 118740.4063 118866.1953 152600.0781 163219.0313 PE(22:4/0:0) 87839.85938 148229.3594 33414.79688 110092.4375 111925.5938 105448.0313 69443.60156 63804.77344 68326.55469 54141.73438 93852.04688 98817.91406 74124.86719 73343.14063 38720.03516 47721.99609 30822.21875 58063.55859 115319.3438 82261.25 58777.33203 126843.3984 114797.3984 140293.1563 111280.0781 102329.6172 131023.8203 114443.0469 79356.27344 44831.07031 644.1682129 1729.490234 1662.017212 3306.387451 4284.407227 7190.481445 1302.493164 3120.360352 4324.581543 2371.244873 1908.574707 3623.630127 1738.674805 1936.163452 3422.257324 2017.939575 2249.968506 2736.378174 1602.474731 3680.195313 3856.381104 1614.074951 5162.481445 6161.493652 1241.977051 1947.792236 2278.377441 2599.7146 4891.105469 7179.691406 PE(P-16:0/18:2) 74733.75 118727.2266 38235.83984 51496.91016 43498.01172 38717.19922 56158.41406 62465.95313 57153.55859 60264.08594 72706.47656 72125.46875 59881.22266 51527.26563 39312.76563 91534.46875 80375.5625 77539.52344 100818.6484 66519.44531 64527.53516 83304.11719 83967.95313 74563.05469 56316.04297 76008.35938 68398.79688 135460.4219 97019.63281 74235.24219 181167.5313 267143.5313 271932.625 180871.4063 193705.6406 274169.875 225067 340964.4375 405757 131260.8438 168516.0938 174640.6719 102429.625 111469.1953 164677.5469 309180.125 355383.1563 418594.0313 199417.6719 271048.5938 292991.375 183269.8594 271492.1875 277524.125 52829.87891 76858.09375 92947.67969 235282.4063 299138.5313 324593.8438 PE(P-16:0/20:4) 1047131.25 1163482.125 378460.625 758359.0625 526878.625 604216.25 514044.1563 501217.75 358807.4375 466987.3438 597552.0625 538066.625 625235.6875 508002.2813 349630.6563 609659.6875 532345.8125 232859.4531 957778.625 563988.9375 586795.625 724506.25 816403.0625 674396 820655.8125 894220.5625 758135.1875 1035152.563 702562.25 712643.1875 672069.125 1098450.125 966759.875 1289765 1330105.875 1425973.625 636314.625 1045463.563 1220297 494451.5938 588635.3125 581061.1875 584911.6875 687446 814598.4375 801273.25 1030006.938 1123561.75 838707.5 1170255.5 1230030.5 679691.1875 996893.5 1205964.625 234107.8281 429732.9688 472106.7188 926337.3125 1330623.75 1246086.25 PE(P-16:0/20:5) 85963.82813 96481.96094 36138.97266 19824.99023 24352.18945 21471.51563 22573.61719 26213.85938 28356.67773 23673.38477 20776.0957 24442.27344 17782.85156 18406.46875 11414.36816 43745.10547 37574.49219 39277.82422 32340.625 28620.01367 24892.75586 25366.53516 20289.07422 26648.8457 33297.16797 29128.82617 26822.11523 29262.06641 25077.66602 17789.44727 37875.41016 67928.71094 60194.76172 72539.05469 78410.09375 114794.4219 64500.17188 112693.3828 138707.2031 19892.13086 23514.70508 21868.43555 17214.74805 18662.55664 30116.36719 97311.78906 106509.625 120078.5938 24298.88867 34844.76172 35471.11719 30586.92969 46666.21484 53973.00781 9003.694336 12870.74512 20304.54688 33307.75391 45235.01563 44869.19141 PE(P-16:0/22:6) 368975.9375 388601.75 173201.4688 122132.1641 125916.0703 76330.67188 112580.7188 136577.2031 109825.8828 108872.5156 148023.1406 138521.1406 97732.57031 88104.6875 64914.10938 155057.125 153610.6563 129017.5938 252692.5 198358.625 133005.3594 169245.7031 159848.5469 172925.9375 159196.5313 163904.7969 165695.2344 217799.3438 163770.4688 149630.2969 393796.125 577227.75 533010.25 390025.7813 418126 549124 474685.9688 767579.0625 831961.625 240995.5 300896.2188 309514.8438 207956.6875 231186.1875 360851.0313 454393.375 554216 566622.25 305530.7188 479675.1563 454862.9688 304168.1563 420273.125 483808.3438 142435.3125 236703.6563 255131.0625 319486.5938 487641.9375 497393.9063 PE(P-18:0/18:1) 337503 408204.6875 174480.1719 198471.3438 226314.2031 233320.25 217497.4375 213701.4688 196882.5781 158577.3594 191060.3281 166311.4375 280004.375 284310.6563 189363.8594 244533.5313 202431.2813 189305.5313 513982.9688 433035.4688 328642.75 265920.3438 301529.6563 249233.9375 296389.875 307710.75 317811.75 291534.9375 197851.7969 224789.125 93105 140795.0469 135442.0625 168312.25 181082.8594 199527.3125 105466.3438 138729.5 150442.2031 53684.52344 54379.57031 59605.44922 77199.6875 90448.21875 114996.5703 132883.2969 134514.7969 144942.2813 118987.0625 153831.4219 167058.1563 96359.4375 112341.9531 125373.5625 62362.69922 94014.92188 114586.9141 115757.7891 121599.2891 111877.2813 PE(P-18:0/18:2) 253309.125 222256.5781 120461.5859 154587.8125 133471.2031 127834.0781 146051.9688 154016.0156 133600.0781 185442.5313 202734.4844 181772.3125 179236.7188 149685.9219 100679.3203 244768.375 222184.0156 190877.1406 274836.6875 196473.7188 200934.9844 231929.3125 248056.9688 214729.2813 224964.375 222837.5313 222741.9688 298140.5625 259949.5313 216461.1719 436664.8438 683178.9375 639735.1875 449636.75 507218.375 623580.3125 360681.8438 687024.4375 717974.5 295011 343471.8438 341631.7188 227850.0938 274487.375 349057.5625 782610.5 985224.375 941540.75 369624.625 572954.0625 608334.9375 440391.9688 682293 720387.125 174108 230679 284877.375 501378.875 714329.5 674357.5 PE(P-18:0/20:4) 2398320 3014555.75 1314848.25 1562578.875 2094324.25 2062721.5 1376478.125 1481603.5 1077063.25 1449770.375 1856505.5 1481019.75 1822669.875 2000224.875 1411464 1735407.875 1567339.25 1537406 2252881.5 2309698.75 1970266.375 2411487.25 2633527 2293940.5 2578001.75 2585212.25 2747603.25 2416800.5 2124847.75 1954137.375 1102128.5 1747690.5 1889662.125 1596409.5 1815355 2028791.125 734122.0625 1323134.5 1334163.25 686728.6875 839159.8125 891125 799023.8125 837356 1184940 1585284.125 1861803 1886697.5 1078445.875 1621976.375 1763066.25 1052038.125 1530647.25 1870627.25 574140.125 869539.8125 1006419.125 1619239.875 1925488.75 2059880.125 PE(P-18:0/22:4) 429114.25 367500.0625 199184.6094 585764.375 495854.0938 500402.5938 339645 318307.125 275006.2813 341359.4063 390423.4688 348640.25 469524.2813 311759.4375 313996.875 352010.375 307245.4375 199414.1094 528584.5625 446897.6563 416178.4063 712015.3125 699812.5 611647.3125 685553.375 883291.625 840729.1875 533783.1875 575725.875 492473.625 16912.68945 4929.763672 5702.75 9931.433594 10876.125 13302.07813 20842.02734 8707.858398 10224.39453 8014.04248 5886.777344 6048.018555 3912.669434 3617.455566 4762.574707 18156.6543 6942.892578 6947.528809 31011.86719 9784.496094 7961.247559 33404.93359 8415.737305 10397.78516 4406.749023 9365.084961 7790.434082 10798.28711 8750.396484 9045.897461 PE(P-18:0/22:6) 1960739.875 2562669.25 524243.75 579668.625 625874.9375 611285.0625 747617.9375 521346.375 497958.4063 542086.0625 647368.4375 561977.5 387907.4063 407168.1563 130501.9609 959765.25 532088.75 450195.7813 1828614.625 888180.125 783021.375 1275274.125 1293419.625 875113.0625 502836.5625 891369.625 645906.3125 1741367.625 944665.3125 783827.1875 1126017.75 1232934 1198261.875 565309.75 624369.8125 1013564 828536.3125 1193584.25 1343878 448452.4063 563472.5 571471.5 264362.8125 345064.4375 424476.8438 979778.375 1231974.75 1368813.25 642280.75 760866.625 902149.5 737809.625 952177.5 1049285.5 238283.3281 371106.875 502382.7188 791226.125 1175365.375 1123808.375 PE(P-18:1/20:4) 997065.875 1057281.25 435663.5 513319.1563 540208.6875 462732.4063 388142.2813 398199.6563 402826.125 383238.375 657486.375 490080.0625 453782.25 467077.3438 327044.5625 578950.125 512933.0938 514120.2813 821818.3125 614082.6875 531249.9375 685864.5 809933.5625 822095.5 820143.25 710724 752928.6875 1038772.438 840613.125 613091.25 510676.5313 707040.0625 705642.6875 666715.5 732891.75 951992.6875 458657.7813 777749.1875 812093 335734.8125 394595.625 428045.3125 304549.5 359293.7188 503501.2188 472888.5 568220.75 594957.4375 564752.6875 792686.0625 868769 488198.0938 661168.1875 706612.0625 154308.2188 245185.4531 305799.0313 790128.9375 999457.6875 1026350.688 PE(P-18:1/22:6) 289714.375 315641.7188 58664.16406 57762.64063 53461.27344 54125.125 78860.00781 63248.73047 44887.69141 87874.07813 114983.3594 89174.49219 39107.46094 40656.51563 25332.95508 87595 77006.21094 65849.66406 112074.3438 93860.10938 70948.22656 75572.41406 88044.72656 89752.15625 78449.99219 85996.49219 91710.64063 112580.5078 92204.01563 74798.66406 241127.7031 296968 282577.125 111122.4063 107566.3672 187909.2656 148609.2656 286384.7813 323291 101792.4609 109312.8906 123192.1484 47336.73828 58757.16797 78701.97656 141992 176423.4375 182770.4531 118212.6484 159744.1094 170557.4375 114258.8438 147661.1094 175490.9063 41699.60938 73690.48438 94627.29688 168470.9375 219118.2813 227227.0469 PE(P-20:0/18:2) 26232.9668 27454.2168 10807.80371 10077.39746 12757.01855 12507.5 13219.55469 12546.65723 12483.15332 16431.20703 20552.11133 16541.79688 12882.37598 14954.34961 9934.775391 18809.74609 12404.41992 15981.37402 18854.25 18212.75977 13564.77051 17197.66211 19806.13086 17085.7168 21335.39844 20052.33203 23406.11523 23513.79102 22260.61719 16717.30859 32593.45508 38540.76172 40378.20313 35512.94531 37845.21094 46071.58203 39174.12109 55330.1875 63359.12891 36359.82813 39677.34766 38708.67188 18902.41211 22141.76172 25761.71875 49040.80469 55765.11328 50323.41016 43521.44922 51192.21094 46370.53906 42049.73828 52643.98438 54653.70703 16784.80664 19792.9043 25518.06055 42208.07422 45888.15625 45730.28906 PE(P-20:0/20:4) 74463.71094 72731.6875 30259.84961 60574.125 59769.48438 60450.94141 41131.79688 27912.04688 37625.08594 44162.46484 59337.65625 47597.72656 54116.21875 58034.26563 34252.97266 61605.16406 54661.95703 46633.54297 81916.73438 65973.14063 48231.34375 57037.09375 67420.79688 67364.13281 92658.74219 87173.74219 92273.79688 74223.46875 75920.26563 58273.13281 47161.59375 56636.29297 51698.82422 61069.20313 60736.09766 83697.78906 36462.02734 56249.03516 58526.73828 48162.52344 47045.22656 54205.19531 32913.43359 38695.63672 48539.66016 44354.85547 58397.74219 60077.10156 62204.02734 73365.4375 78609.60938 52490.50391 75297.85156 85114.41406 21109.29883 31110.10547 36962.02734 64297.65234 80600.48438 83001.05469 PE(P-20:0/22:6) 10475.20801 9324.574219 4601.499023 0 6928.311035 4415.345215 5142.830078 4330.019531 4834.191406 4779.912598 5933.055664 6053.00293 3722.308105 4129.353027 1849.999512 4849.288086 5775.477051 5398.599121 7203.355957 6824.070801 4867.851563 7894.284668 7045.943359 8225.769531 5292.381836 9937.915039 7738.194824 11087.37402 0 4636.369141 22991.78906 33049.90234 34397.19531 13404.38281 17063.08594 21663.92383 22996.5957 35076.82813 34102.57813 19305.95313 23552.65234 24901.78906 7427.9375 10498.53027 12327.92578 25077.1582 27851.92773 31121.26758 17210.36719 24181.79688 23407.12109 20155.32422 30899.66406 32021.66406 8744.489258 13838.31934 14492.53125 24856.75 28317.61914 29852.01172 PG(14:0/14:0) 14826.63867 19114.27148 4195.098145 8503.262695 6279.533203 8023.799316 6748.371094 4327.378906 3953.919922 2306.679688 2991.57251 3860.25415 1371.775879 1640.130493 933.2915649 2903.204834 2049.611572 2644.207031 2987.171875 2168.248779 1964.678467 1900.071289 2338.946533 2581.532959 2288.796631 2408.693115 2548.241211 3341.553223 1100.971313 1580.721802 1573.109131 2660.69043 2739.801758 2132.498291 2347.954102 3792.257813 851.3570557 2121.614746 2302.721191 2061.338623 2744.514648 2675.726807 909.2316895 1202.74939 2061.61084 1577.401978 2182.600586 2457.313232 1078.022095 2525.111084 2761.723877 1584.651245 2302.348145 2851.717773 743.9824829 907.3004761 1707.845825 1789.32019 2820.659424 2554.125488 PI(16:0/16:0) 10559.33887 10304.48633 2024.704346 7638.035156 5165.892578 4576.656738 4543.192871 3368.857666 2784.392334 7143.802734 5342.611816 4452.652832 6634.144531 7538.046387 3248.916748 6321.692871 4414.427734 3676.455322 6416.754883 4920.604492 2913.730957 7142.308594 6389.071289 4558.097168 10922.68066 9137.227539 8280.311523 10859.97656 5441.99707 5460.100098 3984.493896 5802.913086 6989.915039 7074.413086 8557.786133 9733.091797 2107.50415 4050.762207 4583.500488 2817.699463 3251.236084 3549.448975 4467.950684 5426.395508 6163.316895 2926.11499 4083.680176 4553.340332 1770.835938 2797.44165 2732.794189 2976.84668 5262.833496 7403.737305 3683.26416 5110.187988 6162.921387 3592.331055 4289.150391 4368.355957 PI(16:0/16:1) 3178.042969 4143.833008 1293.06897 9750.795898 9103.261719 11168.6123 4462.325684 3699.218262 4252.708984 2782.741211 2540.360107 3361.036865 5539.978027 5901.480957 2894.703369 2273.735596 2147.380859 2785.619629 2206.082275 1814.534668 2393.862549 2035.960571 1875.94165 2234.865967 9187.232422 10319.31348 11048.30371 2292.431641 1788.924194 1348.991333 3800.510986 5864.876465 6113.439453 23647.63281 25988.44727 35745.57031 4708.358398 7282.45752 9432.070313 3964.277344 4697.334961 6082.179688 6905.162598 8179.206055 13376.04785 3756.93042 5348.937988 4543.061523 3510.513672 5068.047363 5990.830078 3077.231201 4572.227051 6115.544922 8677.924805 15900.59375 20616.69922 2687.466797 3771.099609 4761.290039 PI(16:0/18:1) 29523.49609 36314.29297 10599.11133 53175.66797 50524.11719 55703.21875 25868.4375 26106.45703 21143.13672 11698.69141 14192.65137 13075.41797 24934.08984 21956.54688 17003.19922 24502.60742 22819.91211 21918.83789 28817.50586 28004.37695 16236.21973 20401.64258 24387.59961 21203.31836 36529.63672 37565.88281 37819.05078 27288.71875 17192.44531 19990.76172 55776.24609 95377.04688 98402.60938 125159.9688 151517.3125 179099.0469 35545.91797 70150.22656 74685.19531 27070.42188 34555.54297 37969.03516 48581.38672 56171.14844 80744.54688 57343.125 74128.67188 80173.88281 49003.09375 82184.88281 79957.3125 49657.29688 78827.72656 90746.29688 50592.37109 84883.07031 102182.8594 47863.09766 58755.40625 64909.53125 PI(16:0/18:2) 44829.36328 51658.01953 13167.84375 53146.51563 41078.32031 34660.28125 49152.70703 34936.45703 27741.10742 26187.62305 25907.625 24741.12891 32958.53906 41331.76172 19058.72266 37064.46484 39081.52344 29309.68555 56116.49219 38581.10547 27197.58203 49983.73047 41424.26172 40315.97266 53331.4375 57874.125 65358.99609 79573.73438 45040.67969 40038.78906 66429.89063 89436.13281 101208.1953 76209.01563 81178.20313 111795.5859 61903.57031 96713.17969 123830.8438 47318.09375 63594.79688 68461.63281 41791.84375 53718.97266 86930.26563 84705.32813 96369.53125 108649.2734 72122.66406 96937.875 106547.0469 70161.25 106982.3203 133691.9063 53653.13281 90109.78125 115288.3438 81745.21094 112611.1094 130647.3594 PI(16:0/20:3);PI(18:1/18:2)_B 12356.76172 19634.52344 4747.932129 8422.238281 10735.68945 10643.8916 12881.70215 9764.723633 9687.760742 11009.24609 14812.58691 13154.92188 9022.668945 8759.423828 6478.246582 16387.33984 14818.33008 14744.04785 19675.45508 11762.18164 11315.93848 13190.53027 13656.99805 14638.38086 11213.93066 12814.05078 17367.91211 23181.25781 19540.3125 15525.00391 37837.64453 53534.88672 53435.10938 40818.08984 42929.47656 64358.79688 26973.26563 47314.08984 59072.41797 44469.15234 54512.10156 59114.26172 13649.24902 19796.26367 26582.20703 59332.77344 76060.17188 79024.82813 44950.74609 61608.32813 68498.57031 39186.73438 58759.90234 68963.46875 25155.38672 41861.11719 50214.94531 49287.06641 69245.35156 72070.63281 PI(16:0/20:4) 35861.92578 67727.26563 16955.63086 78671.42969 49027.92969 59786.27344 28482.94922 29063.98633 28250.82617 25705.33789 27992.79883 23495.43945 41096.14844 45091.82813 26137.98633 44256.4375 25803.8125 30965.26172 59212.08594 53092.49219 32923.14844 43916.88672 39766.57422 29245.8457 51687.71094 46490.92188 51778.82422 62695.62109 37708.59766 26835.11719 100605.9063 137798.2813 153689.8125 198230.0469 215398.75 301595.125 71560.63281 108658.1875 143069.0156 44749.07422 64906.80859 77452.57813 73470.6875 92655.53906 142239.4375 81419.78906 99553.67969 107315.0547 106095.9609 145770.6406 169119.9844 75062.32031 110474.6875 132911.2188 51489.53516 89462.97656 109859.6719 78056.5625 118842.7344 138591.7188 PI(16:0/22:6) 5418.023926 7391.754395 2613.950439 2951.895508 1840.860474 2464.107178 2237.488037 1412.750488 1487.395752 1541.8927 1961.63562 1630.136841 1277.80188 1303.381714 827.1293335 3086.314697 3155.465332 2254.099609 2444.339355 2081.497559 1333.196899 2175.478027 2363.687012 2598.44165 3252.996582 3369.206055 4033.73584 4139.359863 2477.916992 2027.391113 18808.94531 29588.63086 31590.57617 13296.29395 15036.27734 22156.91797 6082.359863 10812.34473 14294.25488 6454.34082 9010.920898 10249.5918 4756.550781 5726.978027 9128.972656 11558.83789 16633.06445 15475.16992 6546.724121 9635.302734 12319.50195 8234.429688 13135.62891 17799.43945 6122.843262 10460.61035 13626.83008 9679.170898 15286.59082 17378.72266 PI(16:1/18:1) 44829.36328 51658.01953 13167.84375 53146.51563 41078.32031 34660.28125 49152.70703 34936.45703 27741.10742 26187.62305 25907.625 24741.12891 32958.53906 41331.76172 19058.72266 37064.46484 39081.52344 29309.68555 56116.49219 38581.10547 27197.58203 49983.73047 41424.26172 40315.97266 53331.4375 57874.125 65358.99609 79573.73438 45040.67969 40038.78906 66429.89063 89436.13281 101208.1953 76209.01563 81178.20313 111795.5859 61903.57031 96713.17969 123830.8438 47318.09375 63594.79688 68461.63281 41791.84375 53718.97266 86930.26563 84705.32813 96369.53125 108649.2734 72122.66406 96937.875 106547.0469 70161.25 106982.3203 133691.9063 53653.13281 90109.78125 115288.3438 81745.21094 112611.1094 130647.3594 PI(17:0/18:2) 1937.70105 2407.131592 690.777832 2021.313232 1223.327271 1560.465088 1913.85376 1808.269897 1313.32251 1270.531738 1492.476196 1395.144531 1046.730103 1590.303955 1046.53894 2686.828857 2462.04541 1876.214966 2407.85083 1693.475586 1679.238159 1825.155273 1584.437134 1244.238037 2464.876465 2041.03125 1940.359131 2239.712402 1435.157349 1402.516357 5413.788574 7425.058594 7842.899902 5682.629395 6764.193848 9148.652344 2788.499756 7118.810059 7600.055176 3210.431152 4845.148438 5103.977539 2519.207275 3166.293457 4297.836426 6212.474609 7409.158691 8121.884766 4521.882324 7218.932617 6847.220215 4027.473633 6554.949219 7977.770996 3041.734863 5175.081055 6773.425781 4955.450684 7161.088379 7684.773926 PI(17:0/20:4) 4571.128418 6436.125488 2306.096436 6424.630371 6597.094238 5451.5 2198.467773 2475.115479 3172.830566 2344.16626 2476.668457 2298.747314 3066.356445 3614.887939 2874.252441 3426.203369 2619.657715 3260.166504 4113.978516 3801.022949 2884.128662 3067.091309 3856.980225 3208.057617 3886.119385 3819.53125 4181.796387 4548.785156 2733.190186 2701.011963 12431.78809 18865.75391 21082.375 27343.02539 33364.72656 40357.75 6776.337402 12445.79785 15914.59375 6220.07666 8911.925781 9897.635742 6679.54248 9084.265625 13763.23047 11686.97266 13165.20703 14131.25586 9230.930664 16876.55664 16884.33984 7440.979492 12915.78418 14007.8877 5503.747559 9861.392578 12401.22852 8891.791016 13606.00098 14438.25 PI(18:0/18:1) 36792.43359 35424.81641 13071.36621 41351.67578 47253.72656 33162.77344 20366.63867 22828.94922 20442.94922 12521.14453 10762.59668 9087.177734 23113.85938 21786.16602 14435.64258 30503.02734 25080.58789 24655.08203 34253.17969 27765.20313 20570.21875 20078.4707 27454.47461 25764.59375 23295.44141 26696.44922 28062.88477 28807.71094 14127.94141 15183.49219 58633.62109 72483.375 78277.1875 53190.28125 58936.25 85617.09375 24453.43555 39286.28125 44357.35938 22228.25 23355.88086 25322.80078 18683.69141 20177.73242 31496.31641 48265.02734 56109.46094 55775.91406 40869.375 47845.10938 52115.66406 47247.91797 55935.47266 74759.52344 20858.33789 33285.32813 41124.19922 37425.3125 49179.92188 58940.33984 PI(18:0/18:2)_A 10268.52637 5072.034668 3769.024658 12138.89746 6012.338867 6502.472656 6936.776367 4834.643555 5775.826172 2696.692627 2922.699707 2210.899902 2756.124023 4616.478516 2132.915771 9569.74707 11149.67188 3979.864746 8406.883789 8480.630859 4471.105957 4912.74707 5549.057129 5468.402832 5103.100098 8348.983398 6061.532227 8745.930664 5853.838867 6857.719727 24122.45703 268947.4063 285233.1875 124906.9609 134779.7656 170822.8438 9910.610352 233397.625 274145.8438 174313.5625 196178.9375 238145.1563 91200.03906 114415.8203 145664.5625 211832.0781 278247.9688 300461.8438 23315.61328 216836.9063 233333.0469 15805.46484 275924.1875 317908.625 130525.1016 199222.2656 228825.2969 240112.5 292443.875 332703.5625 PI(18:0/18:2)_B 1600214.875 1741909.75 72238.01563 758447.3125 414071.4688 289260.75 843245.5625 564603.0625 417707.875 570797.125 781024.9375 613044.25 505207.375 457690.5625 130679.0547 2008286 175338.7656 777398 1315352.5 766313.5 403716.9375 527774.3125 944940.5625 751586.375 954291.9375 804690.8125 838208.9375 2164272.25 775542.5625 412315.0313 701899 211238.5 173220.3438 153187.625 127104.4531 158339.2969 397522.2188 157502.2969 153264.8594 164552.6719 141925.0313 137370.4844 70836.10156 77731.51563 73106.28125 200100.8281 220886.3281 224763.2344 429453.625 140113 102266.7656 573390.5625 209114.0625 217658.3281 80746.96875 113040.3516 136768.5156 197999.5781 231592.9531 178038.5625 PI(18:0/20:3);PI(18:0/20:3) 64126.25781 52150.02344 18954.1875 44484.14453 39116.59375 40042.32422 44431.52344 36760.55078 31125.34961 27356.01367 27619.43945 21615.73828 28913.56445 30316.83203 16950.4375 42143.29688 39293.95313 32614.44141 76675.51563 63761.86719 45914.93359 27358.14063 21380.69922 23846.52734 29105.39063 31180.39648 24617.31836 38436.89063 29303.83984 28180.73828 82334.82813 26710.03711 24295.18359 39113.89063 42636.05078 51365.92969 81285.89063 20876.74023 23705.13086 15545.63379 27504.68945 21077.11133 19104.45313 19539.24219 22015.05469 18138.08789 22900.57031 24968.72852 121461.7109 36957.33203 57985.48828 44973.41406 19156.6582 29539.78516 10162.88867 21238.95313 24262.74805 21538.98242 18210.92188 15990.44336 PI(18:0/20:4) 44219.57031 292111 51026.32031 33662.90625 272002.5313 362749.875 123881.6563 204014.7188 102140.3125 221885.8125 220137.3594 213675.3281 25111.98242 129631.4063 137518.75 217284.6094 0 128422.2422 185123.4063 257931.1094 122556.5 107712.9766 218225.5781 314980.5313 82808.80469 216092.5625 126285.3047 260591.1094 258141.0313 271852.25 1071014.125 1290883.5 1403886.625 1485147.75 1571188 1923275.375 760344.5 1108470.625 1228385.875 644054.8125 794194.5 913395.5 612938.9375 767554.8125 1006694.563 835135.8125 1014924.625 1168529.125 1071539.125 1187019.5 1311060 813478.9375 993679.4375 1209629.375 476782.9688 775707.625 843243.5 809318.5625 970348.125 1122328.625 PI(18:0/22:6) 14928.46289 23114.91992 7496.925293 6604.876465 8101.928711 6928.168457 4237.182129 5669.166504 6431.96875 5492.589355 4743.271484 4546.229492 5262.663086 3860.534912 4328.623535 6991.208496 6964.499512 5388.577148 5829.518555 5437.333984 5701.847168 5490.39502 7837.405762 7354.353516 7364.260254 6614.11084 8830.902344 7100.504883 7014.955566 6831.163086 78431.84375 129896.6875 147775.9063 72375.88281 65685.71875 100661.1172 28557.69336 60830.10547 81810.85156 32956.82031 45134.49609 51659.3125 15907.75293 21650.15039 28786.66602 39545.24219 54470.82422 51624.07031 27784.57422 42136.07422 50422.61328 29199.83984 50867.53906 66543.25781 30500.5 45572.78906 60879.76953 35355.67188 51538.39844 56020.02734 PI(18:1/18:2)_A 0 9675.866211 3839.830811 10102.52441 8055.747559 8087.842285 0 4182.470703 0 2888.778076 4008.018555 3371.219727 5201.03125 5548.133301 3808.358398 3362.821777 2702.236572 4452.129883 0 5938.633301 5191.065918 0 7813.162109 3987.207764 5125.66748 8131.598633 6892.585449 0 4678.825684 3725.086426 0 46118.58203 54001.26563 9547.633789 11055.73438 15793.37598 8438 25471.86328 33479.58984 19880.72266 27429.57813 28831.14063 5093.03125 6525.81543 9676.000977 40032.08203 52204.55469 58622.97656 13128.99414 35731.04688 36242.15234 9489.150391 34462.72266 42970.27734 8450.541016 16320.05469 21157.98242 48219.44141 67767.82813 68685.72656 PI(18:1/20:4) 25967.00781 37060.24609 12167.58008 33557.06641 29148.63867 29630.68359 20576.58008 18150.05469 17849.18555 28184.75586 33811.74219 30595.51953 25539.91406 27696.39844 17725.7168 28082.47852 23045.63672 22596.50781 26508.96094 20236.91602 17784.41406 33881.63281 33401.89844 30667.49805 28935.8457 38098.50781 35382.07031 52883.09375 34776.29688 29489.77539 71716.07031 90111.21875 101522.5625 86011.32813 97067.86719 132398.3438 35617.92969 62733.21094 82819.53125 84080.125 105188.5313 113558.125 30279.31055 40707.32422 62459.46875 81989.59375 101478.7109 103025.1797 54371.32031 78534.77344 82453.67188 71372.75 111148.8438 127282.5156 37973.06641 63732.41406 81059.8125 92476.17969 126490.2891 127875.0938 PS(18:1/20:4) 15176.16797 15610.67285 3571.751709 10046.49121 6424.567871 6484.048828 6424.367676 4164.338867 3353.706299 12045.52832 9612.375 8954.736328 7943.741699 10609.20703 4127.364258 10028.53516 5753.643555 5594.237305 11307.36914 6480.56543 3793.837402 12728.92188 12425.54297 8844.205078 16954.01172 14377.35742 12775.89355 18584.61523 11186.80371 9045.567383 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 229.3736267 0 0 0 0 0 0 0 119.5159912 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z retention time Cer(d16:1/23:0) 606.5796208 62.16888177 Cer(d18:1/16:0) 536.5017135 55.33767604 Cer(d18:1/18:0);Cer(d16:1/20:0) 564.5327465 58.12623073 Cer(d18:1/20:0) 592.5643515 60.95336589 Cer(d18:1/22:0) 620.5951895 63.0458487 Cer(d18:1/23:0) 634.610806 63.97875182 Cer(d18:1/24:0) 648.6265712 64.80926016 Cer(d18:1/24:1) 646.6108418 63.0115125 Cer(d18:1/26:0) 676.657507 66.24534349 Cer(d18:1/26:1) 674.641942 64.70784349 Cer(d18:2/16:0) 534.4860508 52.57842708 Cer(d18:2/22:0) 618.5795088 61.39794557 GalCer(d18:1/16:0) 698.5534249 51.90017682 GalCer(d18:1/22:0) 782.6469119 60.65305391 GalCer(d18:1/24:0) 810.6779028 62.75729479 GalCer(d18:1/24:1) 808.6622494 60.59012734 PE(16:0/0:0) 452.2757268 19.26397005 PE(16:0/16:1) 688.4881418 52.23883255 PE(16:0/18:0) 718.5352426 50.63508857 PE(16:0/18:1) 716.5194276 55.51005469 PE(16:0/18:2) 714.5038249 53.23766068 PE(16:0/18:3);PE(16:1/18:2) 712.4883369 50.78309036 PE(16:0/20:4) 738.5036725 53.02680495 PE(16:0/20:5) 736.4884086 50.68984375 PE(16:0/22:4) 766.534987 55.29343099 PE(16:0/22:6) 762.5033264 52.34099453 PE(18:0/0:0) 480.3068269 23.93687578 PE(18:0/18:1) 744.550809 58.19935729 PE(18:0/18:2);PE(18:1/18:1) 742.53509 56.22852005 PE(18:0/20:3) 768.5508571 57.15496016 PE(18:0/20:4) 766.5346774 56.18081198 PE(18:0/22:6) 790.5346321 55.62458854 PE(18:1/0:0) 478.2909935 20.26647188 PE(18:1/18:2) 740.519464 53.8011388 PE(18:2/0:0) 476.2757801 17.00432031 PE(18:2/20:4) 762.5036627 50.80150755 PE(20:3/0:0) 502.2909022 18.66577135 PE(20:4/0:0) 500.2756216 16.76009531 PE(22:4/0:0) 528.306329 20.36130521 PE(P-16:0/18:2) 698.5089617 55.11740286 PE(P-16:0/20:4) 722.5089005 54.84616745 PE(P-16:0/20:5) 720.4931283 52.75565026 PE(P-16:0/22:6) 746.5087134 54.19300859 PE(P-18:0/18:1) 728.5556383 59.90695339 PE(P-18:0/18:2) 726.5401783 57.85841615 PE(P-18:0/20:4) 750.5399343 57.62129375 PE(P-18:0/22:4) 778.5717363 59.45681016 PE(P-18:0/22:6) 774.5397305 57.1216013 PE(P-18:1/20:4) 748.5242472 55.2176763 PE(P-18:1/22:6) 772.5241961 54.67669063 PE(P-20:0/18:2) 754.5703024 60.63156823 PE(P-20:0/20:4) 778.571275 60.40392552 PE(P-20:0/22:6) 802.5706122 59.84111371 PG(14:0/14:0) 665.4362327 36.19692734 PI(16:0/16:0) 809.5128522 47.89977448 PI(16:0/16:1) 807.4979177 43.23103229 PI(16:0/18:1) 835.5289837 48.81504505 PI(16:0/18:2) 833.5135083 45.13122917 PI(16:0/20:3);PI(18:1/18:2)_B 859.5289549 46.83129167 PI(16:0/20:4) 857.5130384 44.97520599 PI(16:0/22:6) 881.5134924 43.82610677 PI(16:1/18:1) 833.513385 45.13122917 PI(17:0/18:2) 847.5285306 47.92373516 PI(17:0/20:4) 871.5294901 47.80506979 PI(18:0/18:1) 863.5597024 52.53996224 PI(18:0/18:2)_A 861.544652 49.80402083 PI(18:0/18:2)_B 861.5446477 50.67008672 PI(18:0/20:3);PI(18:0/20:3) 887.5597088 51.55413646 PI(18:0/20:4) 885.5440965 49.95090185 PI(18:0/22:6) 909.5440527 49.31249922 PI(18:1/18:2)_A 859.5244989 45.53549766 PI(18:1/20:4) 883.5286193 46.76328151 PS(18:1/20:4) 808.5085378 48.29918088 METABOLITES_END #END