#METABOLOMICS WORKBENCH Hanlab_20250523_125721 DATATRACK_ID:5944 STUDY_ID:ST003972 ANALYSIS_ID:AN006539 PROJECT_ID:PR002488 VERSION 1 CREATED_ON June 13, 2025, 3:04 pm #PROJECT PR:PROJECT_TITLE Unique lipid cargoes in APOE4 human brain-derived extracellular vesicles recruit PR:PROJECT_TITLE cell adhesion molecules and promote tauopathy in Alzheimer’s disease PR:PROJECT_TYPE research PR:PROJECT_SUMMARY Comprehensive analysis of brain-derived extracellular vesicles (BDEVs) isolated PR:PROJECT_SUMMARY from human APOE3/3 and APOE4/4 Alzheimer’s disease (AD) brains using a PR:PROJECT_SUMMARY multi-omics approach, with biological validation performed both in vivo and in PR:PROJECT_SUMMARY vitro. PR:INSTITUTE Mayo Clinic PR:LAST_NAME Ikezu PR:FIRST_NAME Tsuneya PR:ADDRESS 4500 San Pablo Rd S Jacksonville, FL 32224 PR:EMAIL Ikezu.Tsuneya@mayo.edu PR:PHONE 904-953-2317 #STUDY ST:STUDY_TITLE Lipid cargo profiling of human brain-derived extracellular vesicles by APOE ST:STUDY_TITLE genotype in Alzheimer’s Disease ST:STUDY_SUMMARY Objective: This study aimed to characterize the lipidomic profiles of ST:STUDY_SUMMARY brain-derived extracellular vesicles (BDEVs) isolated from human APOE3/3 and ST:STUDY_SUMMARY APOE4/4 Alzheimer's disease (AD) brains, and to evaluate how APOE4-associated ST:STUDY_SUMMARY lipid alterations contribute to tau pathology and neuroinflammation. Methods: ST:STUDY_SUMMARY Using a multidimensional mass spectrometry-based shotgun lipidomics approach, we ST:STUDY_SUMMARY profiled BDEVs from 40 postmortem AD brain samples (20 APOE3/3, 20 APOE4/4). ST:STUDY_SUMMARY Statistical and bioinformatic analyses were applied to identify significant ST:STUDY_SUMMARY genotype-specific lipidomic changes and their associations with key pathological ST:STUDY_SUMMARY and biological outcomes. Results: BDEVs from APOE4/4 brains exhibited a distinct ST:STUDY_SUMMARY lipidomic signature characterized by altered levels of free fatty acids, ST:STUDY_SUMMARY sphingolipids, cholesterol esters, and phospholipids. These changes were notably ST:STUDY_SUMMARY associated with increased tau accumulation and heightened neuroinflammatory ST:STUDY_SUMMARY markers. Among these alterations, specific lipid species demonstrated strong ST:STUDY_SUMMARY correlations with tau pathology and glial activation, suggesting a mechanistic ST:STUDY_SUMMARY link between APOE4-driven lipid remodeling and AD progression. Conclusion: Our ST:STUDY_SUMMARY findings uncover a novel APOE4-specific mechanism in which lipid alterations ST:STUDY_SUMMARY within BDEVs may drive tau propagation and neuroinflammatory responses. These ST:STUDY_SUMMARY results provide new insights into lipid-mediated pathways of neurodegeneration ST:STUDY_SUMMARY and highlight the potential for targeting lipid metabolism and extracellular ST:STUDY_SUMMARY vesicle pathways in APOE4-related AD. ST:INSTITUTE Mayo Clinic ST:LAST_NAME Ikezu ST:FIRST_NAME Tsuneya ST:ADDRESS 4500 San Pablo Rd S Jacksonville, FL 32224 ST:EMAIL Ikezu.Tsuneya@mayo.edu ST:PHONE 904-953-2317 #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]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - E3/3-2 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-01.raw, CHLE-01.raw, FFA-01.raw, PC-01.raw, PE-01. raw, 01. raw SUBJECT_SAMPLE_FACTORS - E3/3-3 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-02.raw, CHLE-02.raw, FFA-02.raw, PC-02.raw, PE-02. raw, 02. raw SUBJECT_SAMPLE_FACTORS - E3/3-4 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-03.raw, CHLE-03.raw, FFA-03.raw, PC-03.raw, PE-03. raw, 03. raw SUBJECT_SAMPLE_FACTORS - E3/3-7 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-04.raw, CHLE-04.raw, FFA-04.raw, PC-04.raw, PE-04. raw, 04. raw SUBJECT_SAMPLE_FACTORS - E3/3-8 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-05.raw, CHLE-05.raw, FFA-05.raw, PC-05.raw, PE-05. raw, 05. raw SUBJECT_SAMPLE_FACTORS - E3/3-9 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-06.raw, CHLE-06.raw, FFA-06.raw, PC-06.raw, PE-06. raw, 06. raw SUBJECT_SAMPLE_FACTORS - E3/3-11 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-07.raw, CHLE-07.raw, FFA-07.raw, PC-07.raw, PE-07. raw, 07. raw SUBJECT_SAMPLE_FACTORS - E3/3-12 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-08.raw, CHLE-08.raw, FFA-08.raw, PC-08.raw, PE-08. raw, 08. raw SUBJECT_SAMPLE_FACTORS - E3/3-13 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-09.raw, CHLE-09.raw, FFA-09.raw, PC-09.raw, PE-09. raw, 09. raw SUBJECT_SAMPLE_FACTORS - E3/3-14 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-10.raw, CHLE-10.raw, FFA-10.raw, PC-10.raw, PE-10. raw, 10. raw SUBJECT_SAMPLE_FACTORS - E3/3-15 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-11.raw, CHLE-11.raw, FFA-11.raw, PC-11.raw, PE-11. raw, 11. raw SUBJECT_SAMPLE_FACTORS - E3/3-17 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-12.raw, CHLE-12.raw, FFA-12.raw, PC-12.raw, PE-12. raw, 12. raw SUBJECT_SAMPLE_FACTORS - E3/3-18 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-13.raw, CHLE-13.raw, FFA-13.raw, PC-13.raw, PE-13. raw, 13. raw SUBJECT_SAMPLE_FACTORS - E3/3-19 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-14.raw, CHLE-14.raw, FFA-14.raw, PC-14.raw, PE-14. raw, 14. raw SUBJECT_SAMPLE_FACTORS - E3/3-20 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-15.raw, CHLE-15.raw, FFA-15.raw, PC-15.raw, PE-15. raw, 15. raw SUBJECT_SAMPLE_FACTORS - E3/3-21 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-16.raw, CHLE-16.raw, FFA-16.raw, PC-16.raw, PE-16. raw, 16. raw SUBJECT_SAMPLE_FACTORS - E3/3-22 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-17.raw, CHLE-17.raw, FFA-17.raw, PC-17.raw, PE-17. raw, 17. raw SUBJECT_SAMPLE_FACTORS - E3/3-23 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-18.raw, CHLE-18.raw, FFA-18.raw, PC-18.raw, PE-18. raw, 18. raw SUBJECT_SAMPLE_FACTORS - E3/3-24 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-19.raw, CHLE-19.raw, FFA-19.raw, PC-19.raw, PE-19. raw, 19. raw SUBJECT_SAMPLE_FACTORS - E3/3-25 Sample source:human brain | genotype:E3/3 RAW_FILE_NAME(raw file name)=CAR-20.raw, CHLE-20.raw, FFA-20.raw, PC-20.raw, PE-20. raw, 20. raw SUBJECT_SAMPLE_FACTORS - E4/4-1 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-21.raw, CHLE-21.raw, FFA-21.raw, PC-21.raw, PE-21. raw, 21. raw SUBJECT_SAMPLE_FACTORS - E4/4-2 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-22.raw, CHLE-22.raw, FFA-22.raw, PC-22.raw, PE-22. raw, 22. raw SUBJECT_SAMPLE_FACTORS - E4/4-3 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-23.raw, CHLE-23.raw, FFA-23.raw, PC-23.raw, PE-23. raw, 23. raw SUBJECT_SAMPLE_FACTORS - E4/4-4 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-24.raw, CHLE-24.raw, FFA-24.raw, PC-24.raw, PE-24. raw, 24. raw SUBJECT_SAMPLE_FACTORS - E4/4-5 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-25.raw, CHLE-25.raw, FFA-25.raw, PC-25.raw, PE-25. raw, 25. raw SUBJECT_SAMPLE_FACTORS - E4/4-6 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-26.raw, CHLE-26.raw, FFA-26.raw, PC-26.raw, PE-26. raw, 26. raw SUBJECT_SAMPLE_FACTORS - E4/4-7 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-27.raw, CHLE-27.raw, FFA-27.raw, PC-27.raw, PE-27. raw, 27. raw SUBJECT_SAMPLE_FACTORS - E4/4-8 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-28.raw, CHLE-28.raw, FFA-28.raw, PC-28.raw, PE-28. raw, 28. raw SUBJECT_SAMPLE_FACTORS - E4/4-10 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-29.raw, CHLE-29.raw, FFA-29.raw, PC-29.raw, PE-29. raw, 29. raw SUBJECT_SAMPLE_FACTORS - E4/4-12 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-30.raw, CHLE-30.raw, FFA-30.raw, PC-30.raw, PE-30. raw, 30. raw SUBJECT_SAMPLE_FACTORS - E4/4-13 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-31.raw, CHLE-31.raw, FFA-31.raw, PC-31.raw, PE-31. raw, 31. raw SUBJECT_SAMPLE_FACTORS - E4/4-14 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-32.raw, CHLE-32.raw, FFA-32.raw, PC-32.raw, PE-32. raw, 32. raw SUBJECT_SAMPLE_FACTORS - E4/4-15 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-33.raw, CHLE-33.raw, FFA-33.raw, PC-33.raw, PE-33. raw, 33. raw SUBJECT_SAMPLE_FACTORS - E4/4-16 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-34.raw, CHLE-34.raw, FFA-34.raw, PC-34.raw, PE-34. raw, 34. raw SUBJECT_SAMPLE_FACTORS - E4/4-17 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-35.raw, CHLE-35.raw, FFA-35.raw, PC-35.raw, PE-35. raw, 35. raw SUBJECT_SAMPLE_FACTORS - E4/4-18 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-36.raw, CHLE-36.raw, FFA-36.raw, PC-36.raw, PE-36. raw, 36. raw SUBJECT_SAMPLE_FACTORS - E4/4-19 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-37.raw, CHLE-37.raw, FFA-37.raw, PC-37.raw, PE-37. raw, 37. raw SUBJECT_SAMPLE_FACTORS - E4/4-20 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-38.raw, CHLE-38.raw, FFA-38.raw, PC-38.raw, PE-38. raw, 38. raw SUBJECT_SAMPLE_FACTORS - E4/4-22 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-39.raw, CHLE-39.raw, FFA-39.raw, PC-39.raw, PE-39. raw, 39. raw SUBJECT_SAMPLE_FACTORS - E4/4-24 Sample source:human brain | genotype:E4/4 RAW_FILE_NAME(raw file name)=CAR-40.raw, CHLE-40.raw, FFA-40.raw, PC-40.raw, PE-40. raw, 40. raw #COLLECTION CO:COLLECTION_SUMMARY This study includes lipidomic profiling of BDEVs isolated from postmortem AD CO:COLLECTION_SUMMARY human brain samples. BDEVs were isolated from frozen postmortem AD brain tissues CO:COLLECTION_SUMMARY (frontal cortex) using sucrose density gradient purification and were CO:COLLECTION_SUMMARY characterized prior to analysis. A total of 40 samples were analyzed, divided CO:COLLECTION_SUMMARY into two groups: Group 1: APOE3/3 BDEVs (n = 20; 9 males and 11 females); Group CO:COLLECTION_SUMMARY 2: APOE4/4 BDEVs (n = 20; 9 males and 11 females). All samples were sex- and CO:COLLECTION_SUMMARY age-matched. Subjects ranged in age from 60 to 96 years, with a balanced CO:COLLECTION_SUMMARY distribution of male and female individuals across both groups. CO:SAMPLE_TYPE Brain CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No specific treatment was applied; the samples carry either APOE3/3 or APOE4/4 TR:TREATMENT_SUMMARY genotypes. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY BDEVs were isolated from frozen postmortem AD brain tissues (frontal cortex) SP:SAMPLEPREP_SUMMARY using sucrose density gradient purification. BDEVs were characterized prior to SP:SAMPLEPREP_SUMMARY analysis. Lipid species were analyzed using a multidimensional mass SP:SAMPLEPREP_SUMMARY spectrometry-based shotgun lipidomics approach. In brief, each extracellular SP:SAMPLEPREP_SUMMARY vesicle sample was homogenized, and the equivalent of 0.09 mg protein homogenate SP:SAMPLEPREP_SUMMARY was added to a glass tube along with a pre-mixed lipid internal standard. Lipid SP:SAMPLEPREP_SUMMARY extraction was performed using a modified Bligh and Dyer procedure. The lipid SP:SAMPLEPREP_SUMMARY extract was dispersed in chloroform:methanol (1:1, v/v) at a ratio of 400 µL/mg SP:SAMPLEPREP_SUMMARY protein for storage.And the lipid extract was further diluted to a total lipid SP:SAMPLEPREP_SUMMARY concentration of approximately ~2 pmol/µL for shotgun lipidomics. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME none CH:COLUMN_NAME none CH:SOLVENT_A - CH:SOLVENT_B - CH:FLOW_GRADIENT - CH:FLOW_RATE - CH:COLUMN_TEMPERATURE - #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo TSQ Altis MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass spectrometric analysis was performed on a triple quadrupole mass MS:MS_COMMENTS spectrometer (TSQ Altis, Thermo Fisher Scientific, San Jose, CA), which is MS:MS_COMMENTS equipped with an automated nanospray device (TriVersa NanoMate, Advion MS:MS_COMMENTS Bioscience Ltd., Ithaca, NY) as described [1]. Identification and quantification MS:MS_COMMENTS of lipid species were performed using an automated software program [2, 3]. In MS:MS_COMMENTS shotgun lipidomics, the terms positive mode and negative mode refer to the MS:MS_COMMENTS polarity of ionization used during electrospray ionization (ESI), which directly MS:MS_COMMENTS influences the types of lipids detected and how well they are characterized. MS:MS_COMMENTS Positive ion mode generates positively charged ions and is best for detecting MS:MS_COMMENTS neutral and zwitterionic lipids, such as PC, SM, LPC, LPE, CAR, and FFA in this MS:MS_COMMENTS study. Data processing (e.g., ion peak selection, baseline correction, data MS:MS_COMMENTS transfer, peak intensity comparison and quantitation) was performed as described MS:MS_COMMENTS [3]. [1] Han, X., K. Yang, and R.W. Gross, Microfluidics-based electrospray MS:MS_COMMENTS ionization enhances the intrasource separation of lipid classes and extends MS:MS_COMMENTS identification of individual molecular species through multi-dimensional mass MS:MS_COMMENTS spectrometry: development of an automated high-throughput platform for shotgun MS:MS_COMMENTS lipidomics. Rapid Commun Mass Spectrom, 2008. 22(13): p. 2115-24. [2] Wang, M., MS:MS_COMMENTS et al., Novel advances in shotgun lipidomics for biology and medicine. Prog MS:MS_COMMENTS Lipid Res, 2016. 61: p. 83-108. [3] Yang, K., et al., Automated lipid MS:MS_COMMENTS identification and quantification by multidimensional mass spectrometry-based MS:MS_COMMENTS shotgun lipidomics. Anal Chem, 2009. 81(11): p. 4356-68. (NOTE: Associated raw MS:MS_COMMENTS data files are PC-01~40, CAR-01~40, FFA-01~40, and CHLE-01~40) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nmol/mg protein MS_METABOLITE_DATA_START Samples E3/3-2 E3/3-3 E3/3-4 E3/3-7 E3/3-8 E3/3-9 E3/3-11 E3/3-12 E3/3-13 E3/3-14 E3/3-15 E3/3-17 E3/3-18 E3/3-19 E3/3-20 E3/3-21 E3/3-22 E3/3-23 E3/3-24 E3/3-25 E4/4-1 E4/4-2 E4/4-3 E4/4-4 E4/4-5 E4/4-6 E4/4-7 E4/4-8 E4/4-10 E4/4-12 E4/4-13 E4/4-14 E4/4-15 E4/4-16 E4/4-17 E4/4-18 E4/4-19 E4/4-20 E4/4-22 E4/4-24 Factors Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E3/3 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 Sample source:human brain | genotype:E4/4 SM 18:1;O2/14:0 0.26 0.25 0.17 0.36 0.20 0.23 0.25 0.36 0.16 0.21 0.22 0.14 0.19 0.20 0.10 0.49 0.20 0.17 0.13 0.15 0.22 0.23 0.10 0.15 0.12 0.12 0.22 0.19 0.11 0.15 0.16 0.25 0.15 0.20 0.21 0.20 0.23 0.28 0.18 0.13 SM 18:1;O2/15:0 0.18 0.16 0.11 0.16 0.15 0.11 0.10 0.20 0.10 0.12 0.11 0.08 0.07 0.10 0.04 0.24 0.09 0.14 0.08 0.03 0.13 0.06 0.05 0.06 0.04 0.06 0.08 0.07 0.05 0.07 0.12 0.20 0.09 0.08 0.10 0.07 0.18 0.19 0.08 0.04 SM 18:1;O2/16:1 0.41 0.41 0.25 0.46 0.41 0.44 0.17 0.88 0.38 0.39 0.41 0.44 0.75 0.50 0.29 1.13 0.34 0.51 0.27 0.20 0.34 0.30 0.10 0.27 0.28 0.34 0.63 0.42 0.07 0.33 0.25 0.48 0.33 0.64 0.51 0.30 0.56 0.78 0.46 0.28 SM 18:1;O2/16:0 6.87 5.25 4.04 6.98 5.56 6.46 3.59 7.68 4.56 5.39 4.23 3.90 4.18 6.70 3.42 8.83 3.46 5.32 3.58 2.99 5.93 4.19 2.78 3.97 3.92 4.30 4.99 4.21 4.48 3.92 4.26 6.14 4.17 5.44 5.05 4.11 6.53 6.90 4.35 3.43 SM 18:1;O2/17:0 0.26 0.34 0.23 0.34 0.34 0.36 0.21 0.33 0.25 0.37 0.25 0.24 0.22 0.32 0.27 0.48 0.21 0.28 0.27 0.17 0.42 0.34 0.19 0.25 0.21 0.30 0.24 0.22 0.27 0.23 0.38 0.31 0.28 0.27 0.24 0.28 0.34 0.35 0.22 0.27 SM 18:1;O2/18:1 2.69 4.27 3.05 3.41 3.24 3.37 1.55 3.03 2.36 3.98 3.87 2.89 3.42 4.62 3.59 4.76 3.56 3.73 2.83 2.27 4.59 3.57 2.84 2.66 2.26 2.42 3.83 3.74 1.94 3.78 4.41 3.20 2.97 2.88 3.83 4.01 3.28 3.26 4.06 3.09 SM 18:1;O2/18:0 19.09 18.84 18.04 17.54 16.52 18.38 16.22 16.24 14.38 20.26 15.81 14.81 16.17 20.81 18.34 16.89 15.17 17.19 16.05 12.38 19.61 15.70 16.02 15.87 13.66 17.47 18.32 16.45 18.61 17.92 20.54 18.49 16.79 16.15 20.03 21.14 15.30 14.92 15.85 17.53 SM 18:1;O2/19:1 0.21 0.28 0.10 0.26 0.22 0.28 0.09 0.16 0.13 0.30 0.29 0.24 0.34 0.35 0.30 0.26 0.24 0.27 0.26 0.15 0.28 0.29 0.17 0.24 0.22 0.27 0.31 0.31 0.18 0.20 0.24 0.22 0.18 0.19 0.12 0.27 0.03 0.31 0.36 0.24 SM 18:1;O2/19:0 0.37 0.37 0.33 0.40 0.36 0.44 0.35 0.33 0.31 0.53 0.37 0.35 0.36 0.36 0.46 0.44 0.36 0.38 0.52 0.28 0.38 0.39 0.31 0.44 0.38 0.50 0.43 0.32 0.30 0.33 0.49 0.33 0.36 0.39 0.31 0.46 0.19 0.38 0.37 0.43 SM 18:1;O2/20:1 0.36 0.25 0.33 0.34 0.29 0.37 0.18 0.35 0.23 0.25 0.26 0.29 0.36 0.38 0.38 0.42 0.29 0.26 0.39 0.25 0.24 0.24 0.25 0.16 0.28 0.32 0.37 0.45 0.10 0.34 0.30 0.44 0.33 0.25 0.39 0.38 0.35 0.41 0.26 0.29 SM 18:1;O2/20:0 3.89 1.68 4.16 3.35 2.93 3.34 3.77 3.21 2.56 2.59 2.66 2.67 3.19 2.91 3.74 1.98 2.56 2.62 3.17 2.27 1.70 1.81 4.03 2.62 2.88 3.56 2.89 3.71 1.82 3.35 3.64 3.59 3.07 3.05 4.43 3.56 2.70 2.82 2.70 3.35 SM 18:1;O2/22:1 0.61 0.41 0.38 0.57 0.57 0.59 0.25 0.73 0.36 0.45 0.51 0.51 0.49 0.58 0.31 0.75 0.35 0.53 0.37 0.41 0.52 0.43 0.22 0.47 0.40 0.50 0.50 0.39 0.28 0.57 0.37 0.53 0.36 0.59 0.41 0.48 0.75 0.90 0.54 0.45 SM 18:1;O2/22:0 1.44 0.91 0.68 1.35 1.73 1.34 0.56 1.48 0.79 1.10 0.76 0.76 0.89 1.35 0.59 1.37 0.60 0.89 1.10 0.66 0.87 0.76 0.54 0.70 0.75 0.94 0.81 0.59 0.77 0.68 0.84 1.28 0.82 1.07 1.00 0.83 1.62 1.43 0.82 0.79 SM 18:1;O2/23:1 0.38 0.27 0.27 0.25 0.23 0.27 0.31 0.31 0.32 0.43 0.37 0.51 0.23 0.28 0.21 0.36 0.24 0.34 0.48 0.41 0.51 0.31 0.30 0.52 0.31 0.46 0.42 0.22 0.33 0.40 0.25 0.43 0.26 0.34 0.14 0.34 0.32 0.35 0.35 0.44 SM 18:1;O2/23:0 0.45 0.31 0.32 0.32 0.33 0.40 0.22 0.33 0.37 0.35 0.29 0.52 0.25 0.30 0.20 0.28 0.34 0.43 0.36 0.26 0.44 0.30 0.34 0.45 0.32 0.58 0.43 0.20 0.35 0.47 0.44 0.32 0.37 0.43 0.24 0.37 0.31 0.42 0.34 0.40 SM 18:1;O2/24:1 6.36 4.14 4.84 4.79 3.99 5.70 4.65 6.53 6.07 6.73 5.17 10.21 4.77 5.61 3.27 4.88 4.61 7.50 5.92 7.53 5.71 4.57 6.39 9.09 6.41 8.88 7.18 3.06 6.14 7.79 6.37 6.34 5.74 7.70 2.82 5.74 4.96 6.12 6.48 8.04 SM 18:1;O2/24:0 1.82 1.20 0.85 1.68 1.71 1.80 0.56 2.22 1.09 1.80 1.14 1.64 1.26 1.46 0.68 1.75 0.80 1.45 1.10 1.03 0.94 1.07 0.93 1.36 1.01 1.71 1.57 0.76 1.12 1.51 1.55 1.43 1.33 1.79 0.92 1.14 2.10 2.09 1.13 1.31 SM 18:1;O2/25:1 0.96 0.58 0.87 0.68 0.61 0.86 0.97 0.84 0.96 1.30 0.88 2.11 0.84 1.10 0.54 0.53 0.87 1.11 1.33 1.58 0.86 0.85 1.07 1.88 1.33 1.44 1.62 0.68 1.24 1.65 1.27 1.14 1.10 1.36 0.40 1.13 0.61 1.04 1.28 1.57 SM 18:1;O2/25:0 0.23 0.16 0.17 0.15 0.17 0.22 0.19 0.19 0.25 0.28 0.20 0.51 0.18 0.20 0.19 0.21 0.25 0.24 0.31 0.37 0.19 0.23 0.34 0.52 0.28 0.39 0.55 0.12 0.33 0.47 0.40 0.37 0.26 0.39 0.12 0.26 0.13 0.31 0.26 0.43 SM 18:1;O2/26:1 0.63 0.35 0.52 0.36 0.33 0.52 0.39 0.58 0.62 0.80 0.53 1.16 0.45 0.57 0.25 0.34 0.55 0.75 0.73 0.84 0.42 0.53 0.70 1.09 0.70 0.95 1.01 0.32 0.77 1.02 0.80 0.57 0.75 0.86 0.23 0.55 0.45 0.60 0.71 0.78 PC 14:0/16:1 0.14 0.21 0.13 0.16 0.15 0.19 0.43 0.12 0.09 0.19 0.15 0.19 0.13 0.18 0.17 0.24 0.17 0.16 0.17 0.09 0.19 0.17 0.11 0.07 0.14 0.18 0.20 0.22 0.20 0.14 0.13 0.02 0.08 0.15 0.15 0.15 0.06 0.11 0.19 0.28 PC 14:0/16:0 3.55 4.28 4.08 3.78 3.16 3.98 5.67 3.38 3.23 4.51 3.09 5.10 3.91 3.49 3.09 3.37 4.21 3.54 3.61 3.57 4.19 2.89 3.45 2.94 3.01 4.05 3.95 3.48 3.38 4.57 3.89 5.39 2.91 3.15 4.38 3.79 3.17 2.89 4.06 4.44 PC P-16:0/16:0, O-16:0/16:1 1.55 2.11 1.66 1.52 1.56 1.96 1.67 1.36 1.36 2.13 1.25 3.11 1.58 1.85 1.65 1.78 1.99 1.54 1.22 0.96 2.15 1.50 1.38 1.96 1.43 2.35 2.11 1.46 2.00 1.52 2.18 1.93 1.52 1.78 1.43 1.58 2.18 1.56 1.85 2.53 PC O-16:0/16:0 2.26 3.55 1.83 2.27 1.95 2.69 2.17 2.11 1.79 3.04 1.99 3.01 2.45 2.40 2.08 2.83 1.97 1.80 1.91 2.03 3.19 1.86 1.70 2.12 1.83 2.76 2.59 2.00 2.77 2.48 3.13 3.35 2.20 2.19 1.93 2.40 1.94 1.95 2.28 2.78 PC 16:1/16:1, 14:1/18:1 0.31 0.38 0.37 0.37 0.36 0.42 0.67 0.25 0.27 0.47 0.31 0.33 0.21 0.38 0.34 0.75 0.43 0.43 0.45 0.29 0.62 0.35 0.20 0.30 0.37 0.51 0.48 0.61 0.32 0.32 0.37 0.39 0.23 0.25 0.44 0.35 0.36 0.33 0.50 0.68 PC 16:1/16:0, 14:1/18:0 11.58 16.23 14.17 13.09 11.91 14.06 19.17 11.12 11.21 16.44 12.65 14.07 13.48 12.95 12.82 16.11 14.66 16.10 14.30 11.53 18.12 12.76 11.93 11.77 11.74 15.53 15.43 17.11 14.35 13.74 14.59 16.26 10.37 10.58 14.82 14.42 12.77 12.13 17.38 23.17 PC 16:0/16:0 47.07 58.46 47.40 49.03 41.67 54.33 47.36 48.53 44.36 63.38 43.11 57.04 56.61 48.27 42.08 39.81 49.14 43.88 44.80 44.58 53.98 37.35 42.55 48.14 42.12 49.36 52.67 48.01 42.21 56.78 54.60 68.14 41.22 43.87 63.56 54.59 42.21 44.51 58.51 57.91 PC P-16:0/18:1, P-18:1/16:0 1.86 1.74 1.49 1.73 1.70 2.48 2.25 1.69 2.06 3.02 1.87 3.30 1.67 2.28 2.22 2.26 2.13 2.19 1.49 1.21 2.38 1.97 1.88 3.17 1.99 3.65 2.62 1.63 2.09 2.01 3.26 2.66 1.80 2.09 1.28 1.76 2.81 2.26 2.31 3.05 PC P-16:0/18:0, P-18:0/16:0, O-18:1/16:0, O-16:0/18:1 10.21 10.70 7.64 8.37 7.20 10.18 10.26 7.66 9.66 13.43 8.86 17.86 11.28 9.33 9.22 9.52 9.48 9.19 9.74 11.83 10.94 9.98 9.08 12.00 9.30 15.98 12.38 9.85 11.75 12.93 15.43 11.80 10.61 11.20 5.98 10.06 7.38 8.63 11.00 15.46 PC O-16:0/18:0 3.92 3.78 2.83 3.46 2.72 4.42 4.09 2.98 2.77 4.46 3.53 4.34 4.88 3.42 3.51 3.36 3.05 2.69 3.75 3.30 3.77 3.39 3.18 3.20 2.91 4.58 3.96 4.35 3.87 4.31 4.59 4.95 3.51 3.05 2.83 3.89 1.84 3.31 3.64 5.32 PC 16:1/18:2 0.41 0.48 0.36 0.54 0.38 0.51 0.65 0.34 0.28 0.54 0.27 0.31 0.18 0.47 0.29 0.67 0.39 0.30 0.45 0.28 0.69 0.29 0.26 0.32 0.51 0.65 0.40 0.63 0.38 0.30 0.42 0.55 0.23 0.27 0.51 0.23 0.37 0.43 0.53 0.30 PC 16:0/18:2 10.83 13.43 11.42 15.83 13.36 16.67 14.90 14.98 12.74 14.77 9.20 11.91 8.64 13.81 9.19 17.07 13.01 13.09 15.45 10.29 15.80 9.83 8.46 12.97 13.12 15.42 14.90 15.06 9.05 11.51 12.79 16.09 9.63 10.05 15.38 9.61 12.39 17.41 15.32 12.59 PC 16:0/18:1 156.40 212.19 170.52 185.38 154.63 197.78 173.10 167.20 165.66 214.84 167.11 191.59 203.67 188.11 167.92 174.88 181.41 184.83 180.94 171.62 219.28 161.51 174.07 173.52 160.96 190.56 204.83 170.12 174.69 192.01 195.87 204.34 153.47 167.64 211.47 182.93 150.97 178.34 216.29 212.23 PC 16:0/18:0 11.73 12.57 12.99 12.50 9.29 14.16 13.30 12.80 10.53 15.02 10.34 14.92 15.73 11.33 10.66 7.63 11.38 9.46 9.53 10.79 9.78 8.63 12.70 11.15 10.44 14.00 12.84 12.85 9.06 14.78 12.36 15.17 10.56 11.51 16.19 14.52 10.33 10.27 13.50 13.83 PC P-18:0/18:1, P-18:1/18:0 4.02 3.80 2.13 4.48 3.45 6.07 3.78 3.58 3.48 4.70 3.01 5.66 4.12 4.18 3.17 5.09 3.17 3.00 4.95 4.09 3.56 3.76 3.21 4.37 4.11 5.91 4.46 4.72 3.42 3.66 4.61 4.45 3.58 4.49 1.52 3.45 1.24 5.08 4.30 4.24 PC O-18:0/18:1, P-18:0/18:0 25.90 21.51 9.65 22.83 16.66 32.67 18.27 15.12 14.92 25.14 19.22 30.56 35.97 23.93 19.74 21.00 17.92 16.90 28.95 22.78 22.60 21.86 16.24 19.53 20.29 28.08 24.95 26.00 21.83 22.44 22.92 23.23 21.63 24.89 8.11 22.16 3.13 20.49 22.22 21.50 PC O-16:0/20:0 16.33 13.47 8.60 14.07 9.98 17.45 10.77 10.03 9.81 15.12 13.28 16.68 21.46 14.03 13.14 12.08 11.32 9.66 15.56 13.39 14.74 13.20 11.88 13.18 10.95 16.37 16.08 15.74 14.58 13.25 15.05 14.63 13.05 12.92 10.49 11.95 5.77 11.55 14.16 16.17 PC 18:2/18:2, 16:0/20:4 10.43 14.20 14.28 11.68 9.40 13.93 10.78 13.03 9.12 10.38 9.89 8.65 9.11 10.46 11.83 13.26 11.73 10.42 6.39 8.18 12.11 7.65 9.60 8.27 5.04 9.70 10.36 10.19 8.07 18.00 14.05 9.69 7.32 7.35 18.88 11.52 23.40 12.36 11.94 11.50 PC 18:1/18:2, 16:0/20:3 3.30 3.80 3.71 4.76 3.51 5.52 4.61 3.93 3.76 4.45 3.24 4.08 3.45 3.90 3.23 4.84 3.62 3.07 3.81 2.80 5.54 3.04 4.06 3.76 4.32 4.72 3.49 3.93 3.15 4.00 3.72 5.09 3.36 3.38 5.90 3.54 4.98 5.58 4.35 3.08 PC 18:0/18:2, 18:1/18:1 13.58 14.12 14.75 16.54 12.71 17.84 16.31 14.92 16.10 16.89 13.72 16.19 14.84 14.36 13.44 14.94 13.78 17.20 15.63 16.07 17.06 12.80 16.75 16.02 16.35 18.23 17.12 15.08 13.09 16.13 15.11 18.82 13.55 14.34 16.48 14.94 13.24 17.49 19.11 20.34 PC 18:0/18:1 26.53 26.86 29.76 29.22 22.72 33.92 29.28 28.39 27.85 33.86 26.94 39.21 33.82 29.89 26.75 20.58 27.87 30.79 25.87 32.30 25.27 23.95 33.06 30.86 26.84 36.18 32.84 27.61 24.35 38.15 31.46 36.28 26.85 31.88 31.74 30.23 22.99 26.81 33.67 37.21 PC 18:0/18:0 0.32 0.35 0.33 0.48 0.23 0.42 0.25 0.33 0.25 0.26 0.29 0.23 0.58 0.28 0.36 0.27 0.26 0.28 0.25 0.51 0.12 0.34 0.38 0.53 0.34 0.34 0.29 0.54 0.29 0.54 0.22 0.11 0.26 0.23 0.23 0.36 0.20 0.36 0.45 0.27 PC P-18:0/20:1, P-16:0/22:1 4.52 3.42 1.61 4.23 2.74 6.17 3.71 2.82 2.97 4.03 3.61 4.77 4.86 3.45 3.39 3.98 2.88 3.15 4.54 4.08 3.72 3.50 3.08 3.52 3.58 5.00 3.89 4.96 3.75 4.14 4.10 4.16 3.75 3.94 1.58 4.01 0.53 4.39 3.81 4.27 PC P-18:0/20:0, P-16:0/22:0 6.52 4.13 2.99 5.53 3.92 8.21 4.60 3.68 3.90 5.82 4.96 8.12 9.02 5.09 5.00 4.75 4.62 4.57 6.93 5.22 4.57 4.94 4.58 4.99 5.01 7.28 5.72 6.29 4.68 6.03 5.45 4.25 5.75 6.82 2.32 5.47 0.90 5.45 4.88 5.44 PC 16:0/22:6, 18:2/20:4 4.26 5.02 5.83 3.64 3.81 4.28 5.50 5.03 4.25 5.15 3.69 4.88 3.69 4.18 4.21 4.43 5.11 5.12 3.35 4.36 4.02 3.39 5.36 4.69 2.48 6.21 5.22 3.79 3.13 7.57 6.92 3.95 3.41 3.85 8.57 3.17 11.97 5.44 5.62 4.84 PC 18:1/20:4, 16:0/22:5 2.60 3.34 3.55 3.06 2.17 3.04 2.91 3.27 2.80 2.74 2.38 2.32 1.72 2.11 2.83 4.31 2.82 2.53 1.81 2.32 3.40 2.26 2.44 2.25 1.36 2.68 2.78 2.38 1.99 3.90 2.73 2.22 1.86 1.70 4.46 2.29 6.39 3.52 3.02 3.21 PC 18:2/20:2, 18:0/20:4 7.78 9.22 10.66 9.10 6.47 11.57 9.20 9.84 6.72 7.59 7.51 7.87 7.20 7.75 8.90 8.96 9.49 7.08 4.42 6.46 7.06 5.72 8.28 6.09 3.85 8.12 7.84 8.34 5.61 16.74 9.45 7.26 5.75 6.21 14.46 8.96 16.57 8.57 8.35 8.69 PC 18:0/20:3 1.10 1.02 1.20 1.24 0.76 1.70 1.25 1.15 1.10 1.45 1.04 1.63 1.19 1.10 1.00 1.03 0.98 0.84 0.86 0.93 1.35 0.83 1.63 1.02 1.14 1.32 0.98 1.08 0.97 1.49 1.11 1.78 0.94 1.28 1.79 1.11 1.45 1.24 1.09 0.94 PC 18:0/20:2, P-18:2/22:6 1.63 1.48 0.84 2.08 1.48 2.83 1.41 1.56 1.33 1.72 1.29 2.05 1.57 1.38 1.34 1.92 1.34 1.38 1.60 1.55 1.60 1.09 1.33 1.56 1.48 2.19 1.71 1.94 1.30 2.37 1.71 1.09 1.16 1.48 0.86 1.48 0.54 1.94 1.80 2.12 PC 18:0/20:1, P-18:1/22:6 1.73 1.41 0.59 1.88 1.47 3.28 1.42 1.48 1.36 1.75 1.34 2.78 2.11 1.79 1.32 1.73 1.11 1.43 2.19 1.41 1.30 1.16 1.17 1.89 1.79 2.48 1.83 2.09 1.27 1.89 1.32 1.28 1.43 1.96 0.50 1.62 0.18 2.08 1.86 1.69 PC 18:1/22:6, 18:2/22:5 0.83 0.89 0.82 0.90 0.71 1.07 0.97 0.85 0.74 0.85 0.73 1.00 0.80 0.63 0.80 1.05 0.81 0.68 0.70 0.72 0.83 0.70 0.92 0.82 0.58 1.22 0.96 0.94 0.63 1.21 0.94 0.63 0.65 0.67 1.42 0.68 1.58 1.06 1.03 0.99 PC 18:0/22:6 1.81 2.01 2.51 1.57 1.50 1.84 2.49 2.20 1.85 2.02 1.51 2.38 1.63 1.79 1.75 1.64 2.13 2.03 1.41 1.84 1.28 1.41 2.63 1.76 1.07 2.69 2.27 1.64 1.26 3.56 2.70 1.73 1.38 1.65 3.96 1.46 4.86 1.99 2.12 2.27 PC 18:0/22:5 0.42 0.50 0.52 0.50 0.32 0.47 0.50 0.61 0.42 0.46 0.33 0.58 0.25 0.39 0.40 0.57 0.46 0.29 0.29 0.45 0.46 0.40 0.49 0.36 0.27 0.52 0.49 0.25 0.33 0.62 0.52 0.22 0.37 0.26 0.67 0.36 1.00 0.49 0.46 0.42 PC 18:0/22:4, 20:0/20:4, 20:2/20:2 0.64 0.63 0.67 0.72 0.52 0.83 0.74 0.78 0.52 0.63 0.56 0.79 0.31 0.44 0.62 0.70 0.76 0.38 0.30 0.56 0.47 0.51 0.72 0.43 0.27 0.65 0.55 0.64 0.39 1.33 0.84 0.49 0.41 0.38 0.85 0.51 0.86 0.65 0.57 0.55 LPC O-16:0 0.09 0.19 0.04 0.07 0.09 0.10 0.08 0.10 0.09 0.08 0.10 0.13 0.09 0.11 0.11 0.16 0.07 0.06 0.09 0.04 0.10 0.09 0.04 0.09 0.06 0.07 0.07 0.08 0.10 0.07 0.07 0.05 0.05 0.08 0.08 0.11 0.00 0.09 0.08 0.05 LPC 16:0 3.71 4.38 3.60 4.73 3.91 4.47 4.26 4.52 3.94 4.70 4.04 4.72 4.60 3.83 4.14 3.74 4.30 3.95 4.47 3.70 4.24 3.41 3.73 4.20 3.70 3.89 4.00 3.91 3.37 4.06 4.72 4.55 3.35 3.83 3.44 4.21 3.54 4.63 4.26 3.93 LPC O-18:0 0.05 0.13 0.05 0.06 0.05 0.08 0.06 0.06 0.05 0.05 0.06 0.07 0.04 0.06 0.14 0.12 0.06 0.06 0.09 0.02 0.07 0.08 0.04 0.08 0.04 0.05 0.06 0.06 0.06 0.04 0.02 0.02 0.03 0.06 0.05 0.07 0.06 0.07 0.05 0.08 LPC 18:1 0.87 1.16 1.05 1.26 1.01 1.04 1.44 0.89 1.14 1.41 1.12 1.66 1.41 1.10 1.68 0.77 1.46 1.27 1.26 1.18 1.25 1.08 1.50 1.46 1.19 1.39 1.31 1.13 1.22 1.20 1.47 1.02 0.97 1.20 0.75 1.26 1.02 1.02 1.75 1.56 LPC 18:0 1.40 1.26 1.19 1.79 1.32 1.72 1.37 1.81 1.33 1.47 1.44 1.48 1.58 1.23 1.17 1.54 1.33 1.22 1.48 1.14 1.13 1.10 1.38 1.05 1.29 1.40 1.28 1.39 0.99 1.21 1.59 1.96 1.21 1.27 1.66 1.58 1.52 1.58 1.13 1.40 LPE P-16:0 0.12 0.20 0.07 0.12 0.16 0.14 0.14 0.17 0.13 0.12 0.19 0.07 0.09 0.18 0.16 0.25 0.19 0.19 0.12 0.02 0.13 0.17 0.14 0.10 0.12 0.15 0.11 0.11 0.16 0.13 0.18 0.17 0.09 0.15 0.33 0.19 0.44 0.23 0.19 0.12 LPE 16:1 0.07 0.13 0.07 0.10 0.12 0.10 0.12 0.11 0.10 0.11 0.12 0.10 0.09 0.11 0.12 0.14 0.10 0.11 0.11 0.08 0.10 0.11 0.09 0.09 0.09 0.11 0.09 0.16 0.13 0.11 0.11 0.10 0.10 0.12 0.09 0.11 0.09 0.10 0.16 0.13 LPE 16:0 0.41 0.71 0.43 0.50 0.56 0.51 0.53 0.66 0.53 0.49 0.54 0.45 0.52 0.55 0.60 0.64 0.50 0.43 0.59 0.42 0.62 0.52 0.48 0.51 0.45 0.53 0.42 0.60 0.54 0.49 0.51 0.64 0.53 0.60 0.66 0.54 0.39 0.60 0.63 0.48 LPE P-18:1 0.12 0.20 0.11 0.11 0.16 0.11 0.15 0.16 0.16 0.14 0.26 0.10 0.09 0.18 0.19 0.26 0.21 0.21 0.16 0.05 0.15 0.21 0.20 0.13 0.15 0.22 0.13 0.11 0.19 0.15 0.26 0.17 0.11 0.19 0.33 0.19 0.65 0.23 0.25 0.17 LPE P-18:0 0.20 0.31 0.19 0.25 0.31 0.23 0.29 0.32 0.29 0.24 0.32 0.15 0.21 0.33 0.32 0.41 0.39 0.29 0.32 0.10 0.22 0.31 0.35 0.19 0.27 0.29 0.23 0.25 0.22 0.27 0.40 0.28 0.22 0.32 0.66 0.31 0.78 0.43 0.38 0.29 LPE 18:2 0.05 0.06 0.04 0.06 0.06 0.07 0.06 0.06 0.06 0.05 0.07 0.05 0.04 0.06 0.06 0.07 0.07 0.05 0.08 0.07 0.06 0.06 0.04 0.06 0.06 0.06 0.06 0.10 0.04 0.07 0.07 0.06 0.05 0.07 0.04 0.05 0.03 0.06 0.08 0.05 LPE 18:1 1.42 1.90 1.46 1.37 1.63 1.61 1.50 1.85 2.21 2.00 2.06 2.71 1.90 1.94 1.52 1.54 1.92 1.58 2.14 2.22 1.55 1.95 2.09 2.54 1.87 2.25 1.73 1.97 2.47 2.37 2.05 1.73 2.43 2.74 1.04 1.41 0.71 1.37 2.48 2.15 LPE 18:0 0.67 0.89 0.62 0.78 0.87 0.82 1.00 1.05 0.93 0.63 0.82 0.57 0.79 0.75 1.05 1.10 0.84 0.65 1.06 0.49 0.73 0.81 1.02 0.60 0.86 0.85 0.67 1.04 0.50 0.70 0.95 1.00 0.65 0.90 1.53 0.99 0.98 1.02 0.98 0.72 LPE 19:0 0.05 0.05 0.03 0.04 0.05 0.05 0.04 0.05 0.06 0.05 0.06 0.06 0.07 0.06 0.06 0.04 0.05 0.04 0.06 0.06 0.05 0.06 0.06 0.07 0.05 0.06 0.05 0.05 0.06 0.06 0.06 0.04 0.05 0.08 0.07 0.05 0.02 0.05 0.07 0.07 LPE 20:4 0.50 0.93 0.71 0.74 0.67 0.69 0.60 1.01 0.58 0.55 0.67 0.49 0.36 0.55 0.71 0.73 0.61 0.33 0.34 0.56 0.65 0.51 0.51 0.41 0.27 0.39 0.34 0.71 0.44 0.72 0.65 0.48 0.61 0.41 0.77 0.36 0.63 0.39 0.59 0.41 LPE 20:3 0.05 0.09 0.06 0.07 0.05 0.08 0.06 0.08 0.08 0.10 0.09 0.12 0.06 0.08 0.06 0.08 0.08 0.04 0.06 0.14 0.10 0.09 0.09 0.09 0.07 0.07 0.05 0.12 0.10 0.10 0.10 0.09 0.09 0.10 0.07 0.06 0.05 0.05 0.07 0.06 LPE 20:1 0.19 0.10 0.16 0.13 0.13 0.12 0.12 0.18 0.34 0.22 0.22 0.36 0.23 0.20 0.18 0.07 0.19 0.22 0.26 0.43 0.11 0.19 0.23 0.46 0.25 0.27 0.20 0.25 0.25 0.25 0.24 0.18 0.36 0.32 0.08 0.17 0.05 0.17 0.24 0.32 CAR 16:0 0.04 0.03 0.04 0.03 0.04 0.02 0.02 0.05 0.07 0.04 0.03 0.03 0.04 0.04 0.02 0.02 0.04 0.03 0.05 0.03 0.03 0.03 0.02 0.05 0.02 0.06 0.02 0.02 0.04 0.03 0.04 0.03 0.03 0.03 0.04 0.02 0.03 0.04 0.01 0.04 CAR 18:1 0.04 0.02 0.11 0.04 0.05 0.11 0.02 0.05 0.00 0.05 0.03 0.04 0.05 0.04 0.03 0.03 0.05 0.03 0.05 0.04 0.04 0.04 0.02 0.08 0.03 0.06 0.09 0.03 0.05 0.11 0.04 0.04 0.03 0.03 0.04 0.02 0.04 0.04 0.07 0.03 CAR 18:0 0.04 0.02 0.00 0.02 0.03 0.01 0.03 0.05 0.07 0.03 0.05 0.02 0.03 0.03 0.02 0.02 0.02 0.01 0.02 0.02 0.03 0.03 0.02 0.02 0.01 0.03 0.01 0.02 0.03 0.01 0.03 0.03 0.03 0.02 0.04 0.02 0.03 0.03 0.00 0.02 CAR 20:1 0.03 0.02 0.02 0.02 0.03 0.01 0.01 0.02 0.01 0.03 0.03 0.02 0.03 0.03 0.02 0.02 0.02 0.01 0.02 0.02 0.04 0.03 0.03 0.03 0.02 0.03 0.01 0.03 0.03 0.02 0.03 0.03 0.03 0.02 0.03 0.03 0.02 0.02 0.01 0.04 CAR 22:1 0.03 0.03 0.00 0.03 0.03 0.00 0.02 0.03 0.01 0.03 0.04 0.02 0.03 0.04 0.03 0.02 0.02 0.01 0.02 0.02 0.03 0.03 0.04 0.03 0.02 0.03 0.00 0.03 0.02 0.00 0.03 0.03 0.03 0.01 0.03 0.03 0.02 0.02 0.06 0.04 Lauric acid 0.88 0.58 0.94 0.78 0.99 0.47 1.14 0.91 0.88 1.24 0.36 0.73 1.31 1.53 0.87 0.96 1.03 1.53 1.19 1.62 0.88 1.20 0.93 1.14 1.26 2.31 1.62 1.04 1.11 1.70 1.44 1.06 0.95 1.29 1.14 2.02 1.07 2.07 1.87 1.39 Tridecylic acid 0.24 0.15 0.23 0.29 0.27 0.14 0.33 0.24 0.27 0.37 0.07 0.19 0.37 0.40 0.23 0.28 0.27 0.39 0.30 0.41 0.10 0.29 0.25 0.20 0.30 0.46 0.32 0.17 0.26 0.40 0.33 0.25 0.16 0.22 0.18 0.36 0.20 0.31 0.31 0.24 Myristic acid 1.98 2.24 2.49 2.26 2.24 2.67 2.85 2.45 2.46 2.71 1.52 2.07 2.51 3.69 2.21 2.62 2.42 3.03 2.45 2.77 2.47 2.44 1.97 2.44 2.42 3.83 3.55 1.86 2.14 2.97 2.62 1.79 1.49 1.92 2.00 2.56 1.51 3.20 2.40 1.96 Pentadecylic acid 1.89 2.27 1.96 2.38 2.12 2.77 2.14 2.20 2.31 2.71 1.93 2.02 2.58 3.56 2.11 2.87 2.07 2.63 2.30 2.34 2.09 2.20 1.75 2.02 2.24 2.65 2.87 1.95 1.89 2.44 2.47 1.75 1.49 2.01 1.62 1.80 1.33 2.40 2.30 2.24 Hexadecenoic acid 1.13 1.51 1.48 1.52 1.24 1.41 2.36 1.01 1.16 1.41 1.91 1.55 1.44 1.57 1.42 1.82 1.35 1.98 1.68 1.42 2.09 1.49 1.14 1.71 1.45 2.99 2.12 1.98 1.66 1.85 2.47 1.09 1.26 1.55 1.90 2.17 1.23 2.50 2.82 1.65 Heptadecenoic acid 0.97 1.49 1.19 1.31 0.98 1.10 1.22 0.88 1.34 1.45 1.37 1.75 1.81 1.73 1.07 1.27 1.10 1.48 1.37 1.47 1.73 1.41 1.27 1.74 1.58 2.06 2.49 1.43 1.79 1.51 1.96 0.71 1.03 1.49 0.90 0.60 0.92 1.79 2.03 2.13 Margaric acid 3.34 5.14 3.69 4.28 3.41 4.75 3.54 3.64 4.03 4.18 3.65 3.88 4.99 5.76 4.30 4.62 3.27 3.37 3.80 3.37 3.61 3.61 3.47 3.87 4.18 3.77 4.46 3.83 2.79 3.17 4.21 2.88 2.49 3.09 3.12 1.86 3.37 3.81 3.86 4.14 Octadecadienoic acid 1.87 2.49 2.47 2.73 2.39 2.54 3.51 2.21 2.64 2.77 2.59 2.49 2.20 3.02 2.20 2.91 2.71 3.13 3.30 3.09 3.89 2.63 2.27 3.50 3.16 5.17 4.25 3.62 2.65 4.61 4.30 2.18 2.88 3.49 4.01 4.63 2.91 5.68 4.51 3.58 Octadecenoic acid 16.33 21.51 17.92 16.94 14.38 15.77 25.35 14.31 17.84 19.04 20.10 23.52 20.04 18.90 18.22 19.17 17.44 22.32 19.09 17.33 26.18 15.54 15.44 23.92 19.35 32.14 26.48 20.60 20.73 22.67 30.30 11.74 14.82 18.21 24.61 21.73 13.74 29.14 27.45 18.90 Eicosatetraenoic acid 2.40 3.55 5.53 4.47 2.25 2.83 4.70 3.41 3.04 3.32 4.56 2.83 2.06 2.53 3.50 4.18 3.31 3.20 1.85 2.77 4.43 2.58 2.50 3.60 1.80 6.78 3.28 3.34 3.41 4.33 6.52 2.12 2.32 2.12 9.12 11.45 3.12 4.16 4.05 2.85 Eicosatrienoic acid 0.50 0.80 0.80 0.71 0.42 0.57 1.02 0.56 0.67 0.93 0.82 0.88 0.57 0.61 0.53 0.51 0.75 0.71 0.39 0.70 1.24 0.59 0.78 0.97 0.69 1.39 0.74 0.60 1.11 1.12 1.45 0.53 0.57 0.75 1.21 1.92 0.69 1.17 0.61 0.53 Eicosenoic acid 0.56 0.51 0.50 0.41 0.42 0.49 0.64 0.47 0.72 0.65 0.52 0.88 0.69 0.60 0.58 0.43 0.60 0.82 0.66 0.85 0.70 0.53 0.56 1.05 0.78 1.08 0.77 0.55 0.59 0.73 0.96 0.43 0.45 0.66 0.55 0.53 0.51 0.88 0.64 0.80 Docosahexaenoic acid 0.58 0.73 1.82 0.95 0.56 0.47 1.28 1.00 0.87 1.00 0.88 0.67 0.46 0.67 0.61 1.31 0.76 0.79 0.51 0.62 1.18 0.63 0.68 1.05 0.48 2.15 0.79 0.64 0.71 0.91 1.61 0.58 0.53 0.50 3.96 5.14 0.99 0.93 0.99 0.92 Docosatetraenoic acid 1.03 0.88 1.91 1.14 0.69 0.76 1.52 1.22 1.09 1.19 1.15 1.07 0.66 0.67 1.12 1.22 1.13 0.99 0.84 0.97 1.09 0.88 0.84 1.24 0.58 2.21 1.11 1.06 0.83 1.37 1.88 0.77 0.68 0.75 2.70 2.03 0.97 1.01 1.11 1.25 CE 14:0 1.11 0.94 1.53 1.06 1.09 1.10 2.37 0.70 0.84 1.24 1.11 1.13 1.14 1.07 1.94 0.74 1.31 1.66 3.06 0.81 1.36 1.26 1.08 1.21 1.16 1.73 0.86 0.75 2.65 1.76 1.58 0.50 0.95 0.76 0.48 0.94 1.38 0.48 1.37 1.35 CE 16:1 5.48 5.48 8.67 7.62 5.96 6.85 8.29 5.00 4.96 7.25 4.74 8.42 8.67 8.42 6.66 4.93 9.08 7.95 6.79 5.30 11.69 8.61 5.34 6.17 7.92 8.80 8.10 6.77 18.55 6.65 4.97 3.47 5.15 4.87 4.59 5.86 6.08 3.96 8.37 8.87 CE 16:0 11.25 13.48 14.29 17.73 13.08 15.84 14.82 11.50 12.43 19.28 11.66 20.17 15.36 19.83 15.64 8.32 21.80 15.96 15.90 12.93 14.66 17.41 14.38 15.35 13.41 18.69 7.90 15.40 38.15 18.66 14.50 8.37 12.83 12.52 10.29 13.01 12.32 10.30 23.43 17.85 CE 18:2 34.59 27.66 47.63 42.66 25.99 32.86 25.16 48.10 34.95 31.02 34.47 29.41 37.18 17.44 25.85 42.27 30.61 26.21 14.78 31.32 12.15 26.32 43.08 37.91 49.38 36.02 35.43 27.03 49.76 38.79 34.96 31.44 29.99 28.59 43.68 27.81 45.86 55.33 35.83 28.65 CE 18:1 30.07 28.65 28.43 39.59 30.86 33.12 36.72 30.33 34.08 38.33 28.84 44.70 42.66 47.75 38.81 25.94 45.03 38.22 33.18 31.66 56.90 41.66 32.02 40.61 50.61 41.60 37.12 30.56 80.33 36.22 29.15 19.01 27.73 30.14 25.83 27.60 27.24 33.58 44.40 40.49 CE 19:1 3.89 3.62 2.09 3.77 2.67 5.28 3.53 3.49 2.62 3.36 5.09 4.11 2.93 2.16 4.17 3.03 3.77 3.42 3.11 2.73 2.19 3.65 3.04 5.99 5.96 4.95 3.10 1.92 5.63 2.56 3.82 2.84 2.70 4.07 2.17 4.22 0.74 3.74 2.70 3.52 CE 20:5 1.33 1.00 3.16 1.05 3.07 1.27 3.54 1.42 2.07 1.56 1.20 1.65 2.10 1.15 3.21 0.68 1.39 2.90 3.78 1.18 0.91 0.94 1.95 1.00 1.47 2.86 1.39 1.46 2.74 2.57 5.15 1.17 1.19 1.32 1.76 1.50 1.61 0.88 1.28 1.38 CE 20:4 11.63 14.46 39.19 15.36 10.69 10.76 17.37 12.67 15.19 16.21 12.33 12.90 15.15 13.38 16.46 8.76 17.93 18.75 12.03 13.84 12.83 12.19 11.60 15.51 12.38 23.59 8.86 14.84 29.82 17.39 26.80 10.66 10.89 8.96 17.35 10.95 23.20 8.44 19.27 16.95 CE 20:3 2.24 2.29 3.76 2.43 1.62 3.18 4.74 1.94 3.10 3.60 2.26 3.94 5.95 3.87 3.21 2.52 3.12 3.70 3.45 3.35 8.29 3.21 3.09 3.28 4.24 4.54 3.76 2.07 7.59 2.91 3.68 1.44 2.34 2.39 3.09 2.06 3.13 1.68 3.08 3.01 CE 20:1 10.77 10.23 3.26 9.96 6.14 15.93 4.83 9.57 5.51 7.03 17.13 11.39 4.72 3.14 6.04 8.67 6.84 6.84 5.58 6.38 3.27 7.04 7.09 16.64 12.27 11.35 8.23 3.88 10.38 6.07 6.92 8.39 7.17 11.55 3.98 12.77 0.77 11.97 3.60 7.36 CE 20:0 13.32 12.40 5.93 13.95 8.07 17.82 8.17 13.12 9.61 9.78 18.29 10.17 5.20 3.66 9.69 9.22 7.78 7.80 9.21 7.63 2.46 8.67 10.55 15.22 15.18 12.47 9.47 5.18 15.03 8.03 11.60 11.47 8.67 11.79 6.90 14.79 2.12 16.16 5.06 9.57 CE 22:6 3.31 3.22 4.44 3.62 2.84 3.52 4.99 3.24 2.99 3.40 4.31 3.70 4.26 4.60 3.91 3.00 4.25 4.11 3.43 2.69 3.03 3.03 4.00 5.09 3.82 7.27 2.95 2.46 5.68 3.79 6.30 2.63 2.79 3.37 4.72 2.56 5.64 2.86 3.52 3.78 CE 23:5 4.46 3.17 1.38 4.33 2.31 4.57 2.25 3.34 2.21 3.25 5.67 3.36 1.90 1.34 2.90 4.02 3.89 2.54 2.73 2.78 0.83 3.30 3.84 6.54 4.34 5.00 2.25 1.13 5.16 2.40 3.76 2.45 1.74 3.02 1.85 3.50 0.37 3.26 1.20 2.33 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Exact Mass SM 18:1;O2/14:0 C37H75N2O6P 674.5363 SM 18:1;O2/15:0 C38H77N2O6P 688.5519 SM 18:1;O2/16:1 C39H77N2O6P 700.5519 SM 18:1;O2/16:0 C39H79N2O6P 702.5676 SM 18:1;O2/17:0 C40H81N2O6P 716.5832 SM 18:1;O2/18:1 C41H81N2O6P 728.5832 SM 18:1;O2/18:0 C41H83N2O6P 730.5989 SM 18:1;O2/19:1 C42H83N2O6P 742.5989 SM 18:1;O2/19:0 C42H85N2O6P 744.6145 SM 18:1;O2/20:1 C43H85N2O6P 756.6145 SM 18:1;O2/20:0 C43H87N2O6P 758.6302 SM 18:1;O2/22:1 C45H89N2O6P 784.6458 SM 18:1;O2/22:0 C45H91N2O6P 786.6615 SM 18:1;O2/23:1 C46H91N2O6P 798.6615 SM 18:1;O2/23:0 C46H93N2O6P 800.6771 SM 18:1;O2/24:1 C47H93N2O6P 812.6771 SM 18:1;O2/24:0 C47H95N2O6P 814.6928 SM 18:1;O2/25:1 C48H95N2O6P 826.6928 SM 18:1;O2/25:0 C48H97N2O6P 828.7084 SM 18:1;O2/26:1 C49H97N2O6P 840.7084 PC 14:0/16:1 C38H74NO8P 703.5152 PC 14:0/16:0 C38H76NO8P 705.5309 PC P-16:0/16:0, O-16:0/16:1 C40H80NO7P 717.5672 PC O-16:0/16:0 C40H82NO7P 719.5829 PC 16:1/16:1, 14:1/18:1 C40H76NO8P 729.5309 PC 16:1/16:0, 14:1/18:0 C40H78NO8P 731.5465 PC 16:0/16:0 C40H80NO8P 733.5622 PC P-16:0/18:1, P-18:1/16:0 C42H82NO7P 743.5829 PC P-16:0/18:0, P-18:0/16:0, O-18:1/16:0, O-16:0/18:1 C42H84NO7P 745.5985 PC O-16:0/18:0 C42H86NO7P 747.6142 PC 16:1/18:2 C42H78NO8P 755.5465 PC 16:0/18:2 C42H80NO8P 757.5622 PC 16:0/18:1 C42H82NO8P 759.5778 PC 16:0/18:0 C42H84NO8P 761.5935 PC P-18:0/18:1, P-18:1/18:0 C44H86NO7P 771.6142 PC O-18:0/18:1, P-18:0/18:0 C44H88NO7P 773.6298 PC O-16:0/20:0 C44H90NO7P 775.6455 PC 18:2/18:2, 16:0/20:4 C44H80NO8P 781.5622 PC 18:1/18:2, 16:0/20:3 C44H82NO8P 783.5778 PC 18:0/18:2, 18:1/18:1 C44H84NO8P 785.5935 PC 18:0/18:1 C44H86NO8P 787.6091 PC 18:0/18:0 C44H88NO8P 789.6248 PC P-18:0/20:1, P-16:0/22:1 C46H90NO7P 799.6455 PC P-18:0/20:0, P-16:0/22:0 C46H92NO7P 801.6611 PC 16:0/22:6, 18:2/20:4 C46H80NO8P 805.5622 PC 18:1/20:4, 16:0/22:5 C46H82NO8P 807.5778 PC 18:2/20:2, 18:0/20:4 C46H84NO8P 809.5935 PC 18:0/20:3 C46H86NO8P 811.6091 PC 18:0/20:2, P-18:2/22:6 C46H88NO8P 813.6248 PC 18:0/20:1, P-18:1/22:6 C46H90NO8P 815.6404 PC 18:1/22:6, 18:2/22:5 C48H82NO8P 831.5778 PC 18:0/22:6 C48H84NO8P 833.5935 PC 18:0/22:5 C48H86NO8P 835.6091 PC 18:0/22:4, 20:0/20:4, 20:2/20:2 C48H88NO8P 837.6248 LPC O-16:0 C24H52NO6P 481.3532 LPC 16:0 C24H50NO7P 495.3325 LPC O-18:0 C26H56NO6P 509.3845 LPC 18:1 C26H52NO7P 521.3481 LPC 18:0 C26H54NO7P 523.3638 LPE P-16:0 C21H44NO6P 437.2906 LPE 16:1 C21H42NO7P 451.2699 LPE 16:0 C21H44NO7P 453.2855 LPE P-18:1 C23H46NO6P 463.3063 LPE P-18:0 C23H48NO6P 465.3219 LPE 18:2 C23H44NO7P 477.2855 LPE 18:1 C23H46NO7P 479.3012 LPE 18:0 C23H48NO7P 481.3168 LPE 19:0 C24H50NO7P 495.3325 LPE 20:4 C25H44NO7P 501.2855 LPE 20:3 C25H46NO7P 503.3012 LPE 20:1 C25H50NO7P 507.3325 CAR 16:0 C23H45NO4 399.3349 CAR 18:1 C25H47NO4 425.3505 CAR 18:0 C25H49NO4 427.3662 CAR 20:1 C27H51NO4 453.3818 CAR 22:1 C29H55NO4 481.4131 Lauric acid C12H24O2 200.1776 Tridecylic acid C13H26O2 214.1933 Myristic acid C14H28O2 228.2089 Pentadecylic acid C15H30O2 242.2246 Hexadecenoic acid C16H30O2 254.2246 Heptadecenoic acid C17H32O2 268.2402 Margaric acid C17H34O2 270.2559 Octadecadienoic acid C18H32O2 280.2402 Octadecenoic acid C18H34O2 282.2559 Eicosatetraenoic acid C20H32O2 304.2402 Eicosatrienoic acid C20H34O2 306.2559 Eicosenoic acid C20H38O2 310.2872 Docosahexaenoic acid C22H32O2 328.2402 Docosatetraenoic acid C22H36O2 332.2715 CE 14:0 C41H72O2 596.5532 CE 16:1 C43H74O2 622.5689 CE 16:0 C43H76O2 624.5845 CE 18:2 C45H76O2 648.5845 CE 18:1 C45H78O2 650.6002 CE 19:1 C46H80O2 664.6158 CE 20:5 C47H74O2 670.5689 CE 20:4 C47H76O2 672.5845 CE 20:3 C47H78O2 674.6002 CE 20:1 C47H82O2 678.6315 CE 20:0 C47H84O2 680.6471 CE 22:6 C49H76O2 696.5845 CE 23:5 C50H80O2 712.6158 METABOLITES_END #END