#METABOLOMICS WORKBENCH Hanlab_20250523_125721 DATATRACK_ID:5944 STUDY_ID:ST003972 ANALYSIS_ID:AN006541 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 Q Exactive Focus MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Mass spectrometric analysis was performed on a Q Exactive mass spectrometer MS:MS_COMMENTS (Thermo Scientific, San Jose, CA), which is equipped with an automated nanospray MS:MS_COMMENTS device (TriVersa NanoMate, Advion Bioscience Ltd., Ithaca, NY) as described [1]. MS:MS_COMMENTS Identification and quantification of lipid species were performed using an MS:MS_COMMENTS automated software program [2, 3]. We used a Thermo Q Exactive instrument for MS:MS_COMMENTS detection of CL, LCL, PS, PG and BMP detection in this study. This hybrid MS:MS_COMMENTS quadrupole-Orbitrap mass spectrometer offers high resolution, enables MS:MS_COMMENTS high-quality MS/MS fragmentation for structural analysis, and allows for MS:MS_COMMENTS detection of a broad range of lipid classes. Data processing (e.g., ion peak MS:MS_COMMENTS selection, baseline correction, data transfer, peak intensity comparison and MS:MS_COMMENTS quantitation) was performed as described [3]. [1] Han, X., K. Yang, and R.W. MS:MS_COMMENTS Gross, Microfluidics-based electrospray ionization enhances the intrasource MS:MS_COMMENTS separation of lipid classes and extends identification of individual molecular MS:MS_COMMENTS species through multi-dimensional mass spectrometry: development of an automated MS:MS_COMMENTS high-throughput platform for shotgun lipidomics. Rapid Commun Mass Spectrom, MS:MS_COMMENTS 2008. 22(13): p. 2115-24. [2] Wang, M., et al., Novel advances in shotgun MS:MS_COMMENTS lipidomics for biology and medicine. Prog Lipid Res, 2016. 61: p. 83-108. [3] MS:MS_COMMENTS Yang, K., et al., Automated lipid identification and quantification by MS:MS_COMMENTS multidimensional mass spectrometry-based shotgun lipidomics. Anal Chem, 2009. MS:MS_COMMENTS 81(11): p. 4356-68. (NOTE: Associated raw data files are 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 CL 18:1/18:1/16:1/16:1 0.25 0.41 0.29 0.23 0.15 0.17 0.34 0.18 0.16 0.31 0.24 0.16 0.26 0.15 0.20 0.51 0.27 0.24 0.32 0.17 0.41 0.37 0.25 0.19 0.11 0.29 0.18 0.22 0.24 0.16 0.19 0.18 0.19 0.15 0.20 0.20 0.16 0.22 0.25 0.56 CL 18:2/18:2/18:2/16:1 0.12 0.25 0.19 0.23 0.17 0.14 0.23 0.24 0.11 0.16 0.05 0.04 0.01 0.05 0.06 0.36 0.12 0.09 0.15 0.03 0.32 0.10 0.05 0.07 0.05 0.17 0.04 0.20 0.08 0.03 0.11 0.10 0.06 0.02 0.17 0.02 0.21 0.19 0.05 0.10 CL 18:2/18:2/18:2/16:0 0.35 0.66 0.43 0.51 0.37 0.39 0.46 0.50 0.38 0.50 0.21 0.20 0.13 0.22 0.22 0.78 0.38 0.36 0.48 0.16 0.80 0.38 0.23 0.34 0.21 0.43 0.22 0.41 0.26 0.17 0.38 0.32 0.27 0.17 0.42 0.14 0.41 0.43 0.27 0.33 CL 18:2/18:1/18:1/16:1, 18:2/18:2/18:1/16:0 0.77 1.04 0.83 0.80 0.55 0.69 0.80 0.75 0.70 0.92 0.50 0.61 0.53 0.47 0.55 1.16 0.73 0.67 0.91 0.49 1.05 0.85 0.64 0.70 0.46 0.86 0.56 0.63 0.50 0.52 0.67 0.57 0.58 0.49 0.70 0.46 0.62 0.75 0.67 0.90 CL 16:1/18:1/18:1/18:1 0.70 0.76 0.62 0.62 0.40 0.55 0.67 0.57 0.57 0.84 0.63 0.67 0.73 0.47 0.66 0.76 0.68 0.50 0.91 0.64 0.61 0.80 0.77 0.60 0.44 0.77 0.66 0.50 0.47 0.58 0.59 0.53 0.52 0.55 0.57 0.54 0.48 0.64 0.75 1.18 CL 16:1/18:1/18:1/18:0, 16:0/18:1/18:1/18:1 0.20 0.20 0.19 0.17 0.11 0.18 0.21 0.18 0.20 0.31 0.19 0.30 0.24 0.12 0.21 0.11 0.22 0.15 0.44 0.27 0.10 0.19 0.23 0.21 0.23 0.22 0.26 0.19 0.12 0.14 0.23 0.19 0.20 0.22 0.17 0.15 0.18 0.22 0.30 0.49 CL 18:2/18:2/18:2/18:2 0.46 0.56 0.58 0.82 0.50 0.73 0.50 1.14 0.55 0.42 0.23 0.15 0.06 0.18 0.29 0.62 0.38 0.20 0.42 0.09 0.48 0.22 0.26 0.24 0.25 0.45 0.22 0.58 0.13 0.23 0.53 0.44 0.30 0.10 0.71 0.13 1.15 0.82 0.31 0.28 CL 18:2/18:2/18:2/18:1 0.80 1.11 0.84 1.33 0.89 1.17 0.77 1.45 0.86 0.86 0.43 0.44 0.24 0.43 0.54 1.16 0.73 0.49 0.88 0.31 1.03 0.61 0.50 0.58 0.52 0.78 0.46 0.78 0.35 0.46 0.85 0.73 0.53 0.36 1.05 0.35 1.28 1.24 0.57 0.59 CL 18:2/18:2/18:1/18:1 1.14 1.42 0.98 1.58 1.03 1.43 0.90 1.54 1.17 1.22 0.64 0.82 0.52 0.70 0.74 1.34 1.02 0.78 1.32 0.57 1.27 0.99 0.80 1.00 0.72 1.15 0.75 0.84 0.52 0.69 1.14 1.00 0.82 0.67 1.21 0.53 1.14 1.45 0.86 0.82 CL 18:2/18:2/18:1/18:0, 18:2/18:1/18:1/18:1 1.09 1.01 0.97 1.09 0.63 0.99 0.86 1.00 0.97 1.04 0.75 0.94 0.78 0.66 0.90 0.90 0.95 0.66 1.22 0.80 0.78 0.99 1.01 0.94 0.67 1.09 0.85 0.69 0.47 0.82 0.96 0.92 0.81 0.76 1.02 0.60 0.77 1.07 0.92 1.04 CL 18:1/18:1/18:1/18:1 0.51 0.50 0.46 0.51 0.25 0.40 0.44 0.39 0.43 0.54 0.58 0.56 0.68 0.37 0.68 0.41 0.46 0.27 0.71 0.62 0.32 0.56 0.67 0.40 0.33 0.54 0.52 0.32 0.30 0.47 0.44 0.43 0.42 0.49 0.44 0.42 0.30 0.51 0.51 0.85 CL 18:2/18:2/18:2/20:3 0.34 0.30 0.68 0.30 0.23 0.33 0.38 0.48 0.33 0.22 0.15 0.15 0.04 0.07 0.28 0.33 0.22 0.10 0.25 0.10 0.27 0.16 0.27 0.18 0.13 0.30 0.11 0.31 0.10 0.15 0.34 0.33 0.21 0.06 0.79 0.10 0.71 0.42 0.12 0.20 CL 18:2/18:2/18:2/20:2 0.48 0.43 0.91 0.49 0.29 0.52 0.52 0.63 0.49 0.38 0.30 0.27 0.14 0.16 0.50 0.44 0.38 0.17 0.41 0.18 0.44 0.33 0.45 0.32 0.21 0.47 0.26 0.42 0.16 0.32 0.51 0.48 0.36 0.15 1.04 0.22 0.87 0.61 0.26 0.35 CL 18:1/18:2/18:2/20:2 0.46 0.42 0.69 0.49 0.25 0.49 0.47 0.51 0.44 0.39 0.38 0.33 0.21 0.21 0.59 0.44 0.40 0.15 0.40 0.25 0.37 0.39 0.54 0.32 0.22 0.46 0.27 0.33 0.21 0.37 0.44 0.47 0.34 0.22 0.84 0.26 0.65 0.57 0.27 0.42 CL 18:1/18:2/18:2/20:1, 18:1/18:1/18:2/20:2 0.20 0.17 0.25 0.21 0.07 0.17 0.21 0.19 0.17 0.19 0.20 0.17 0.14 0.08 0.27 0.16 0.18 0.04 0.19 0.13 0.15 0.20 0.32 0.15 0.11 0.22 0.12 0.13 0.11 0.16 0.18 0.24 0.16 0.13 0.32 0.13 0.24 0.24 0.13 0.22 LysoCL 18:2/18:2/18:2 0.02 0.05 0.02 0.04 0.02 0.03 0.04 0.03 0.02 0.01 0.02 0.01 0.00 0.01 0.02 0.05 0.01 0.01 0.01 0.00 0.04 0.01 0.01 0.01 0.02 0.02 0.01 0.04 0.01 0.01 0.04 0.01 0.01 0.00 0.04 0.01 0.06 0.04 0.01 0.01 LysoCL 18:2/18:2/18:1 0.08 0.14 0.05 0.11 0.06 0.09 0.10 0.06 0.06 0.05 0.06 0.03 0.01 0.03 0.06 0.11 0.05 0.03 0.06 0.02 0.12 0.03 0.05 0.04 0.05 0.06 0.03 0.07 0.03 0.03 0.09 0.05 0.05 0.03 0.09 0.04 0.09 0.09 0.04 0.03 LysoCL 18:2/18:1/18:1 0.12 0.14 0.08 0.12 0.05 0.11 0.14 0.07 0.11 0.08 0.10 0.07 0.05 0.06 0.11 0.12 0.08 0.06 0.11 0.06 0.14 0.07 0.11 0.10 0.06 0.11 0.10 0.07 0.05 0.07 0.14 0.06 0.09 0.09 0.11 0.09 0.07 0.12 0.09 0.08 LysoCL 18:1/18:1/18:1 0.07 0.05 0.08 0.05 0.02 0.04 0.09 0.03 0.08 0.04 0.06 0.05 0.08 0.03 0.12 0.06 0.04 0.04 0.10 0.10 0.05 0.05 0.12 0.05 0.04 0.09 0.09 0.04 0.04 0.05 0.07 0.04 0.05 0.09 0.06 0.09 0.03 0.06 0.06 0.11 PS 16:0/16:1 0.02 0.03 0.24 0.01 0.02 0.03 0.02 0.02 0.30 0.01 0.29 0.02 0.30 0.27 0.05 0.03 0.06 0.01 0.02 0.33 0.02 0.02 0.10 0.26 0.01 0.06 0.25 0.09 0.03 0.05 0.06 0.04 0.35 0.05 0.25 0.05 0.02 0.02 0.32 0.01 PS 16:1/18:2 0.33 0.22 0.01 0.18 0.22 0.39 0.47 0.42 0.01 0.46 0.01 0.34 0.02 0.01 0.04 0.16 0.07 0.18 0.25 0.01 0.34 0.22 0.05 0.01 0.00 0.18 0.01 0.03 0.03 0.03 0.03 0.05 0.01 0.03 0.01 0.03 0.42 0.35 0.01 0.31 PS 16:0/18:2 0.08 0.08 0.05 0.06 0.07 0.12 0.08 0.13 0.07 0.12 0.05 0.09 0.04 0.01 0.01 0.06 0.01 0.05 0.06 0.06 0.09 0.06 0.01 0.02 0.01 0.04 0.05 0.02 0.00 0.02 0.03 0.02 0.05 0.04 0.05 0.05 0.06 0.12 0.05 0.07 PS 17:0/18:2 0.09 0.04 0.03 0.03 0.04 0.04 0.04 0.05 0.03 0.03 0.04 0.04 0.02 0.06 0.04 0.03 0.03 0.04 0.06 0.06 0.05 0.05 0.05 0.01 0.08 0.02 0.01 0.04 0.02 0.04 0.03 0.05 0.05 0.02 0.01 0.04 0.03 0.04 0.03 0.04 PS 17:0/18:1 0.04 0.01 0.05 0.01 0.02 0.02 0.01 0.03 0.03 0.01 0.01 0.02 0.02 0.02 0.12 0.01 0.06 0.01 0.02 0.02 0.01 0.02 0.15 0.01 0.46 0.00 0.01 0.08 0.12 0.08 0.07 0.14 0.02 0.08 0.02 0.10 0.01 0.01 0.02 0.01 PS 18:1/18:2 0.09 0.11 0.08 0.04 0.07 0.07 0.08 0.11 0.04 0.07 0.02 0.06 0.03 0.02 0.06 0.05 0.10 0.05 0.05 0.04 0.06 0.06 0.10 0.02 0.10 0.03 0.02 0.11 0.05 0.09 0.10 0.11 0.02 0.09 0.02 0.10 0.06 0.06 0.04 0.09 PG 16:0/16:0 0.12 0.16 0.16 0.60 0.98 0.16 0.12 0.07 0.13 0.17 0.11 0.14 0.13 0.23 0.13 0.11 0.10 0.18 0.14 0.05 0.09 0.06 0.14 0.17 0.11 0.18 0.19 0.10 0.11 0.13 0.31 0.13 0.12 0.15 0.12 0.15 0.33 0.23 0.15 0.12 PG 16:0/18:1 1.03 1.47 1.42 1.37 1.09 1.48 1.11 1.04 0.99 1.35 1.40 1.20 1.36 1.36 1.27 1.24 1.13 1.44 1.44 1.05 1.64 1.11 1.11 1.26 1.14 1.90 1.38 1.31 1.19 1.22 1.41 1.07 1.23 1.52 1.16 1.57 1.29 1.36 1.50 0.99 PG 18:2/18:2 0.15 0.15 0.23 0.18 0.08 0.18 0.06 0.07 0.12 0.18 0.14 0.14 0.03 0.14 0.09 0.16 0.14 0.10 0.22 0.02 0.20 0.12 0.06 0.20 0.10 0.27 0.16 0.13 0.14 0.11 0.15 0.07 0.13 0.17 0.15 0.18 0.17 0.13 0.19 0.06 PG 18:1/18:1 1.13 0.76 1.09 0.71 0.45 0.68 1.10 1.03 1.01 0.95 0.94 0.76 0.75 0.82 0.75 0.81 0.72 1.30 0.91 1.07 1.39 1.08 0.78 1.30 0.88 1.22 1.05 0.67 0.90 0.90 0.81 0.59 0.73 1.24 0.56 1.34 0.73 0.78 1.19 0.84 PG 18:0/18:1 0.55 0.63 0.60 0.95 0.82 0.64 0.52 0.54 0.54 0.61 0.56 0.51 0.60 0.83 0.58 0.51 0.52 0.59 0.51 0.52 0.50 0.55 0.73 0.57 0.58 0.79 0.67 0.59 0.37 0.60 0.90 0.58 0.47 0.60 0.87 0.69 0.99 0.64 0.45 0.63 PG 18:0/18:0 0.25 0.35 0.17 1.39 1.78 0.24 0.11 0.16 0.25 0.20 0.15 0.24 0.04 0.58 0.13 0.11 0.21 0.33 0.19 0.16 0.14 0.16 0.31 0.28 0.18 0.24 0.28 0.13 0.07 0.19 0.81 0.32 0.09 0.08 0.19 0.18 1.20 0.48 0.05 0.26 BMP 18:1_22:6 0.16 0.23 0.24 0.12 0.07 0.14 0.18 0.08 0.14 0.17 0.10 0.16 0.09 0.17 0.10 0.18 0.18 0.18 0.10 0.16 0.26 0.15 0.07 0.27 0.08 0.23 0.17 0.08 0.19 0.12 0.11 0.08 0.13 0.15 0.17 0.16 0.25 0.13 0.17 0.07 BMP 22:6_22:6 0.13 0.15 0.14 0.05 0.03 0.10 0.13 0.06 0.10 0.10 0.06 0.16 0.08 0.12 0.08 0.13 0.13 0.13 0.03 0.07 0.09 0.19 0.09 0.13 0.02 0.21 0.08 0.09 0.08 0.17 0.07 0.10 0.10 0.07 0.28 0.07 0.22 0.11 0.06 0.06 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Exact Mass CL 18:1/18:1/16:1/16:1 C77H142O17P2 1400.9722 CL 18:2/18:2/18:2/16:1 C79H140O17P2 1422.9566 CL 18:2/18:2/18:2/16:0 C79H142O17P2 1424.9722 CL 18:2/18:1/18:1/16:1, 18:2/18:2/18:1/16:0 C79H144O17P2 1426.9879 CL 16:1/18:1/18:1/18:1 C79H146O17P2 1429.0035 CL 16:1/18:1/18:1/18:0, 16:0/18:1/18:1/18:1 C79H148O17P2 1431.0192 CL 18:2/18:2/18:2/18:2 C81H142O17P2 1448.9722 CL 18:2/18:2/18:2/18:1 C81H144O17P2 1450.9879 CL 18:2/18:2/18:1/18:1 C81H146O17P2 1453.0035 CL 18:2/18:2/18:1/18:0, 18:2/18:1/18:1/18:1 C81H148O17P2 1455.0192 CL 18:1/18:1/18:1/18:1 C81H150O17P2 1457.0348 CL 18:2/18:2/18:2/20:3 C83H144O17P2 1474.9879 CL 18:2/18:2/18:2/20:2 C83H146O17P2 1477.0035 CL 18:1/18:2/18:2/20:2 C83H148O17P2 1479.0192 CL 18:1/18:2/18:2/20:1, 18:1/18:1/18:2/20:2 C83H150O17P2 1481.0348 LysoCL 18:2/18:2/18:2 C63H106O17P2 1206.6690 LysoCL 18:2/18:2/18:1 C63H108O17P2 1208.6846 LysoCL 18:2/18:1/18:1 C63H110O17P2 1210.7002 LysoCL 18:1/18:1/18:1 C63H112O17P2 1212.7159 PS 16:0/16:1 C38H72NO10P 733.4894 PS 16:1/18:2 C40H72NO10P 757.4894 PS 16:0/18:2 C40H74NO10P 759.5050 PS 17:0/18:2 C41H76NO10P 773.5207 PS 17:0/18:1 C41H78NO10P 775.5363 PS 18:1/18:2 C42H76NO10P 785.5207 PG 16:0/16:0 C38H75O10P 722.5098 PG 16:0/18:1 C40H77O10P 748.5254 PG 18:2/18:2 C42H75O10P 770.5098 PG 18:1/18:1 C42H79O10P 774.5411 PG 18:0/18:1 C42H81O10P 776.5567 PG 18:0/18:0 C42H83O10P 778.5724 BMP 18:1_22:6 C46H77O10P 820.5254 BMP 22:6_22:6 C50H75O10P 866.5098 METABOLITES_END #END