#METABOLOMICS WORKBENCH gpoulogiannis_20251020_145533 DATATRACK_ID:6574 STUDY_ID:ST004360 ANALYSIS_ID:AN007281 PROJECT_ID:PR002766 VERSION 1 CREATED_ON November 18, 2025, 12:09 pm #PROJECT PR:PROJECT_TITLE Investigating the impact of dietary interventions in cellular phospholipid PR:PROJECT_TITLE composition. PR:PROJECT_SUMMARY Lipidomic analysis was performed to investigate the impact of various diets on PR:PROJECT_SUMMARY the lipid composition of cells. Using Liquid Chromatography-Mass Spectrometry PR:PROJECT_SUMMARY (LC-MS), immortalised breast MCF10A PIK3CA isogenic cells and cell culture media PR:PROJECT_SUMMARY supplemented with three different ratios of omega 3 to omega 6 fatty acids (FA), PR:PROJECT_SUMMARY we find that the phospholipid composition of cells is modified by the diet cells PR:PROJECT_SUMMARY are grown in. PR:INSTITUTE The Institute of Cancer Research London PR:DEPARTMENT Cell and Molecular Biology PR:LABORATORY Signalling and Cancer Metabolism PR:LAST_NAME Poulogiannis PR:FIRST_NAME George PR:ADDRESS 237 Fulham Road SW3 6JB LONDON PR:EMAIL George.poulogiannis@icr.ac.uk PR:PHONE +442071535347 #STUDY ST:STUDY_TITLE Investigating the impact of dietary interventions in cellular phospholipid ST:STUDY_TITLE composition. ST:STUDY_SUMMARY Emerging evidence from preclinical and epidemiological studies suggest that diet ST:STUDY_SUMMARY might influence tumour growth and progression. Mutation in PIK3CA affects cancer ST:STUDY_SUMMARY cells response to different omega-6/omega-3 fatty acid (FA) ratio. Indeed, ST:STUDY_SUMMARY supplementation of an omega-6/omega-3 FA ratio associated with a healthy diet ST:STUDY_SUMMARY (1:2) suppressed PIK3CA-driven oncogenicity, whereas one associated with a ST:STUDY_SUMMARY Western diet (10:1) promoted it. Whether the supplementation of these diets ST:STUDY_SUMMARY leads to changes in the phospholipid composition in this context is currently ST:STUDY_SUMMARY unknown. Lipidomic analysis was performed to investigate the impact of various ST:STUDY_SUMMARY diets on the lipid composition of cells. Using Liquid Chromatography-Mass ST:STUDY_SUMMARY Spectrometry (LC-MS), immortalised breast MCF10A PIK3CA isogenic cells and cell ST:STUDY_SUMMARY culture media supplemented with three different omega-6/omega-3 FA (Arachidonic ST:STUDY_SUMMARY acid (AA)/Eicosapentanoic Acid (EPA)and Docosahexanoic Acid (DHA)) ratios, we ST:STUDY_SUMMARY find that the phospholipid composition of cells is modified by the diet cells ST:STUDY_SUMMARY are grown in. ST:INSTITUTE The Institute of Cancer Research London ST:DEPARTMENT Cell and Molecular Biology ST:LABORATORY Signalling and Cancer Metabolism ST:LAST_NAME Poulogiannis ST:FIRST_NAME George ST:ADDRESS 237 Fulham Road SW3 6JB LONDON ST:EMAIL george.poulogiannis@icr.ac.uk ST:PHONE +442071535347 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female SU:CELL_STRAIN_DETAILS MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) SU:CELL_PRIMARY_IMMORTALIZED Spontaneously immortalized cell line #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 - WT 1to1 negative 1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to1 negative 1.d SUBJECT_SAMPLE_FACTORS - WT 1to1 negative 2 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to1 negative 2.d SUBJECT_SAMPLE_FACTORS - WT 1to1 negative 3 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to1 negative 3.d SUBJECT_SAMPLE_FACTORS - WT 1to1 negative 4 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to1 negative 4.d SUBJECT_SAMPLE_FACTORS - WT 1to1 negative 5 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to1 negative 5.d SUBJECT_SAMPLE_FACTORS - WT 10to1 negative 1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 10to1 negative 1.d SUBJECT_SAMPLE_FACTORS - WT 10to1 negative 2 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 10to1 negative 2.d SUBJECT_SAMPLE_FACTORS - WT 10to1 negative 3 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 10to1 negative 3.d SUBJECT_SAMPLE_FACTORS - WT 10to1 negative 4 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 10to1 negative 4.d SUBJECT_SAMPLE_FACTORS - WT 10to1 negative 5 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 10to1 negative 5.d SUBJECT_SAMPLE_FACTORS - WT 1to2 negative 1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to2 negative 1.d SUBJECT_SAMPLE_FACTORS - WT 1to2 negative 2 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to2 negative 2.d SUBJECT_SAMPLE_FACTORS - WT 1to2 negative 3 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to2 negative 3.d SUBJECT_SAMPLE_FACTORS - WT 1to2 negative 4 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to2 negative 4.d SUBJECT_SAMPLE_FACTORS - WT 1to2 negative 5 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=WT 1to2 negative 5.d SUBJECT_SAMPLE_FACTORS - H10 1to1 negative 1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to1 negative 1.d SUBJECT_SAMPLE_FACTORS - H10 1to1 negative 2 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to1 negative 2.d SUBJECT_SAMPLE_FACTORS - H10 1to1 negative 3 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to1 negative 3.d SUBJECT_SAMPLE_FACTORS - H10 1to1 negative 4 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to1 negative 4.d SUBJECT_SAMPLE_FACTORS - H10 1to1 negative 5 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to1 negative 5.d SUBJECT_SAMPLE_FACTORS - H10 10to1 negative 1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 10to1 negative 1.d SUBJECT_SAMPLE_FACTORS - H10 10to1 negative 2 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 10to1 negative 2.d SUBJECT_SAMPLE_FACTORS - H10 10to1 negative 3 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 10to1 negative 3.d SUBJECT_SAMPLE_FACTORS - H10 10to1 negative 4 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 10to1 negative 4.d SUBJECT_SAMPLE_FACTORS - H10 10to1 negative 5 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 10to1 negative 5.d SUBJECT_SAMPLE_FACTORS - H10 1to2 negative 1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to2 negative 1.d SUBJECT_SAMPLE_FACTORS - H10 1to2 negative 2 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to2 negative 2.d SUBJECT_SAMPLE_FACTORS - H10 1to2 negative 3 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to2 negative 3.d SUBJECT_SAMPLE_FACTORS - H10 1to2 negative 4 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to2 negative 4.d SUBJECT_SAMPLE_FACTORS - H10 1to2 negative 5 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 RAW_FILE_NAME(Raw_File_Name)=H10 1to2 negative 5.d SUBJECT_SAMPLE_FACTORS - Mix_Negative_MSMS_1 Sample source:MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:Pool | MS_level:MS2 RAW_FILE_NAME(Raw_File_Name)=Mix_Negative_MSMS_1.d SUBJECT_SAMPLE_FACTORS - Mix_Negative_MSMS_2 Sample source:MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:Pool | MS_level:MS2 RAW_FILE_NAME(Raw_File_Name)=Mix_Negative_MSMS_2.d SUBJECT_SAMPLE_FACTORS - Mix_Negative_MSMS_3 Sample source:MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:Pool | MS_level:MS2 RAW_FILE_NAME(Raw_File_Name)=Mix_Negative_MSMS_3.d SUBJECT_SAMPLE_FACTORS - Mix_Negative_MSMS_4 Sample source:MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:Pool | MS_level:MS2 RAW_FILE_NAME(Raw_File_Name)=Mix_Negative_MSMS_4.d SUBJECT_SAMPLE_FACTORS - Mix_Negative_MSMS_5 Sample source:MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:Pool | MS_level:MS2 RAW_FILE_NAME(Raw_File_Name)=Mix_Negative_MSMS_5.d SUBJECT_SAMPLE_FACTORS - Mix_Negative_MSMS_6 Sample source:MCF-10A (CVCL_0598) and MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:Pool | MS_level:MS2 RAW_FILE_NAME(Raw_File_Name)=Mix_Negative_MSMS_6.d #COLLECTION CO:COLLECTION_SUMMARY MCF10A Wild-type (non-tumorigenic human mammary epithelial cell line) and PIK3CA CO:COLLECTION_SUMMARY mutant (H1047R/+) isogenic cells were purchased from Horizon discovery (Cat# HD CO:COLLECTION_SUMMARY 101-011). Cells were grown in their recommended media, as follow: DMEM/F-12 CO:COLLECTION_SUMMARY including 2.5 mM L-glutamine and 15 mM HEPES, supplemented with 5% horse serum, CO:COLLECTION_SUMMARY 10 µg/mL insulin, 0.5 µg/mL hydrocortisone, 0.1 µg/mL cholera toxin. Cells CO:COLLECTION_SUMMARY were cultured at 37°C in a 5% CO2 incubator. The day before treatment, cells CO:COLLECTION_SUMMARY were seeded at a density of 2M cells per plate in 150mm cell culture dish. CO:COLLECTION_PROTOCOL_FILENAME Lipidomics_aspirin.pdf CO:SAMPLE_TYPE Cultured cells CO:COLLECTION_VIALS 2ml Eppendorf tube #TREATMENT TR:TREATMENT_SUMMARY Cells were treated the day after seeding with three different omega6/omega3 FA TR:TREATMENT_SUMMARY ratios of Arachidonic acid (AA)/Eicosapentanoic Acid (EPA)and Docosahexanoic TR:TREATMENT_SUMMARY Acid (DHA). The treatments are as follow: Omega6/omega3 1:1 ratio: AA 25uM / EPA TR:TREATMENT_SUMMARY 15uM - DHA 10uM Omega6/omega3 10:1 ratio: AA 45.5uM / EPA 2.7uM - DHA 1.8uM TR:TREATMENT_SUMMARY Omega6/omega3 1:2 ratio: AA 16.7uM / EPA 20uM - DHA 13.3uM TR:CELL_PCT_CONFLUENCE 70-80% #SAMPLEPREP SP:SAMPLEPREP_SUMMARY On the day of the extraction, cells were washed twice with cold PBS, scraped on SP:SAMPLEPREP_SUMMARY ice in 1 mL PBS and transferred into a 2 mL Eppendorf tube. Samples were spun SP:SAMPLEPREP_SUMMARY down and PBS was removed. Them, 1.2 mL of extraction buffer (800ul SP:SAMPLEPREP_SUMMARY methyl-tert-butyl ether (MTBE) + 397 µL methanol + 3 µL SPLASH II Lipidomix SP:SAMPLEPREP_SUMMARY standard (Avanti Research, 330707)) was added. The pellet was resuspended and SP:SAMPLEPREP_SUMMARY vortexed before sonication for 15min at 20 OC using a sonication bath. Following SP:SAMPLEPREP_SUMMARY the addition of 400 µL water, samples were centrifugated for 10 min at RT at SP:SAMPLEPREP_SUMMARY 3000g and the upper layer was collected and transferred into a glass vial. SP:SAMPLEPREP_SUMMARY Samples were then dried under nitrogen stream at RT in a fume hood and stored at SP:SAMPLEPREP_SUMMARY -80℃ until the day of analysis. On the day of mass spectrometry analysis, SP:SAMPLEPREP_SUMMARY dried lipids were resuspended in 200ul of mobile phase A (10 mM ammonium formate SP:SAMPLEPREP_SUMMARY in 5:3:2 water: acetonitrile: 2-propanol), centrifuged for 10 min at 4℃ at SP:SAMPLEPREP_SUMMARY 3000g. Finally, 100 µL of the supernatant was transferred into glass LC/MS SP:SAMPLEPREP_SUMMARY vials. SP:SAMPLEPREP_PROTOCOL_FILENAME Lipidomics_aspirin.pdf SP:PROCESSING_STORAGE_CONDITIONS Described in summary SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION 200 µL of mobile phase A (10 mM ammonium formate in 5:3:2 water: acetonitrile: SP:SAMPLE_RESUSPENSION 2-propanol) SP:SAMPLE_SPIKING 3 µL SPLASH II Lipidomix standard (Avanti Research, 330707) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatography column: YMC Accura-Triart C18 (100 x 2.1 mm, 1.9uM) x 12nM CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME YMC Accura-Triart C18 (100 x 2.1 mm, 1.9uM) CH:SOLVENT_A 50% Water/30% Acetonitrile/20% Isopropanol; 10 mM ammonium formate; 5 μM CH:SOLVENT_A Agilent InfinityLab deactivator additive CH:SOLVENT_B 90% Isopropanol/9% Acetonitrile/1% Water; 10 mM Ammonium formate CH:FLOW_GRADIENT 0min, 15%B; 2.5min, 50%B; 2.6min, 57%B; 9min, 75%B; 9.1min, 93%B; 11min, 96%B; CH:FLOW_GRADIENT 12min, 100%B; 12.2min, 100%B and 16min,15%B CH:FLOW_RATE 0.400 mL/min CH:COLUMN_TEMPERATURE 45℃ CH:METHODS_FILENAME Lipidomics_aspirin.pdf CH:INJECTION_TEMPERATURE 20℃ CH:SAMPLE_INJECTION 10 µL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Signalling and Cancer Metabolism AN:ACQUISITION_DATE 06/2025 AN:ANALYSIS_PROTOCOL_FILE Lipidomics_aspirin.pdf AN:DATA_FORMAT .d #MS MS:INSTRUMENT_NAME Agilent 6546 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Agilent Masshunter Workstation Data Acquisition software (Agilent – Cat: MS:MS_COMMENTS M5930AA) was used for data acquisition. Data analysis was performed with the MS:MS_COMMENTS Mass Profiler Professional suite (Agilent- Cat: G3835AA). Briefly, lipid MS:MS_COMMENTS annotator enabled the generation of a lipid database with accurate mass and MS:MS_COMMENTS retention time from the MS/MS. Then, targeted feature extraction was achieved MS:MS_COMMENTS using Agilent Profinder B.8.0.00 and statistical analysis using MassHunter Mass MS:MS_COMMENTS Profiler Professional. MS:CAPILLARY_VOLTAGE 3000 MS:COLLISION_ENERGY 25 eV MS:DRY_GAS_FLOW 10l/min MS:DRY_GAS_TEMP 300 MS:FRAGMENT_VOLTAGE 150 MS:NEBULIZER 25 psi MS:OCTPOLE_VOLTAGE 750 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Log2(scaled(raw_abundance)) MS_METABOLITE_DATA_START Samples WT 1to1 negative 1 WT 1to1 negative 2 WT 1to1 negative 3 WT 1to1 negative 4 WT 1to1 negative 5 WT 10to1 negative 1 WT 10to1 negative 2 WT 10to1 negative 3 WT 10to1 negative 4 WT 10to1 negative 5 WT 1to2 negative 1 WT 1to2 negative 2 WT 1to2 negative 3 WT 1to2 negative 4 WT 1to2 negative 5 H10 1to1 negative 1 H10 1to1 negative 2 H10 1to1 negative 3 H10 1to1 negative 4 H10 1to1 negative 5 H10 10to1 negative 1 H10 10to1 negative 2 H10 10to1 negative 3 H10 10to1 negative 4 H10 10to1 negative 5 H10 1to2 negative 1 H10 1to2 negative 2 H10 1to2 negative 3 H10 1to2 negative 4 H10 1to2 negative 5 Factors Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A (CVCL_0598) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 10 1 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 Sample source:MCF-10A PIK3CA (H1047R/+)(CVCL_LD55) | Sample_type:Cultured cells | Fatty_acid_supplementation:(AA EPA/DHA) 1 2 | MS_level:MS1 EtherPC 18:0e_20:5 1.0917883 0.9055033 1.1181421 0.89537716 0.45799732 -16.285278 -16.351818 -16.32412 -16.341938 -16.278057 1.694972 1.6513033 1.5817919 1.6774797 2.0146322 -1.1886806 -0.94989395 1.0290213 -16.42677 -0.5695715 -16.368504 -16.443298 -16.416382 -16.413475 -16.454296 0.059750557 -0.015799522 -0.22509098 0.4630823 0.015799522 EtherPE 16:1e_20:4 -0.46818924 -0.189085 -0.14842987 -0.39953423 -0.39572525 0.926281 0.62771416 0.6749401 0.67155457 0.8114052 -0.7967205 -0.7268715 -0.8191395 -0.7162781 -0.49391365 0.17010307 -0.09018707 0.28862 0.030862808 0.020015717 0.6271534 0.5503502 0.52513695 0.6713257 0.623003 -0.3481102 -0.36195374 -0.40021515 -0.057048798 -0.37415886 EtherPE 16:1e_20:5 0.5423775 0.31769753 0.355587 0.374218 0.35864067 -2.3511848 -2.4301472 -3.1004925 -2.999258 -2.6523056 0.8705387 0.91209984 0.97024155 0.939209 0.83654404 -0.42952538 -0.41359138 -0.47794724 -0.4950695 -0.40688896 -21.098112 -21.172907 -5.002268 -3.8657227 -3.4336605 0.055179596 0.030546188 0.30823135 0.64779854 0.31053734 EtherPE 18:1e_20:4 0.3982849 0.43704224 0.27765846 0.3528881 0.4732685 0.6584244 0.7357521 0.4470997 0.77108955 0.7409344 -0.004753113 0.008480072 0.040029526 -0.031942368 -0.07683945 -0.40702248 -0.18378067 -0.46694183 -0.13753128 -0.17989159 -0.17473602 -0.052129745 -0.066726685 -0.14624405 0.47844505 -0.8681965 -0.83278465 -0.5508251 -0.80820656 -0.83013916 EtherPE 18:1e_20:5 0.76061153 0.7390299 0.54734325 0.59078693 0.6513548 -3.196929 -3.185069 -3.87786 -3.5571623 -3.5030756 1.2730398 1.2670202 1.3569384 1.2913637 1.3891077 -0.50477505 -0.4524107 -0.29258442 -0.27613926 -0.30548954 -4.4402246 -4.3855524 -4.9851093 -4.8525057 -4.3191614 0.015042305 -0.015042305 0.29980755 0.5146074 0.34536457 EtherPE 18:1e_22:6 0.20946884 0.42426682 0.24801826 0.11497879 0.14008331 -0.037172318 -0.009647369 -0.003458023 0.023578644 -0.06671333 0.35347366 0.3898201 0.38792038 0.3746338 0.4240818 -0.17998314 -0.019584656 -0.19600296 -0.031360626 -0.076034546 -0.27827454 -0.3389778 -0.42938042 -0.34513092 -0.07941818 -0.15550613 0.011629105 -0.010929108 0.003458023 -0.019927979 EtherPE 18:2e_20:5 1.181097 0.84754753 0.7180805 0.9749813 0.55353165 -2.1255846 -1.1837273 -3.0893965 -1.8168736 -1.4570999 1.3711452 1.3294353 1.4042091 0.8300152 1.3521614 -0.29445648 -0.023237228 -0.01130867 0.20451164 0.3444271 -18.171799 -18.246593 -18.219677 -18.21677 -18.25759 0.01130867 -0.01471138 0.9928322 0.8998356 0.81359863 EtherPE 18:2e_22:6 -0.30993366 -0.50884724 -1.0100069 -0.80250454 -3.7827177 1.1032782 0.10693836 0.38436222 -0.034970284 0.4967146 -0.7282038 -0.4295473 -0.46740627 -0.8265257 -0.10838413 0.18916035 0.1120882 0.5854597 0.08100605 0.20764828 0.44108105 0.35571766 0.06418514 0.72401524 0.56965923 -0.38112926 -0.35863018 -0.15935421 1.0397234 0.083729744 EtherPE 20:4e_20:4 -0.14861012 -0.169343 -0.21667576 0.003926277 0.39273548 0.8156061 0.8520136 0.40372944 0.61990833 0.5660696 -0.28701687 0.69928455 -0.5192709 -0.22868061 -0.054142952 -0.738698 0.3056841 -1.321496 -0.5739126 -0.8514471 0.04549122 -0.003926277 -0.4038 0.24913883 0.31932163 -0.62487507 -0.9988928 0.67973804 -0.301013 -0.72967434 PC 16:0_20:5 -0.91553307 0.29299736 0.120895386 -0.22441864 -3.6150227 -0.120895386 -0.7278614 -1.5718307 -17.303385 -0.650877 -1.4764309 0.50314903 0.19935417 0.6934471 -1.4605713 0.70880127 0.8456211 0.35487175 0.16671753 0.23877144 -3.585431 -2.5268383 -17.377829 -2.029829 -17.415741 1.3436222 0.7859497 1.2698803 1.4866638 1.2460136 PC 18:0_20:4 -0.9505358 -0.34609413 -0.2734928 -0.008579254 -1.2000198 0.55685806 0.64206696 0.9749508 0.7792225 0.7572174 -1.5063906 -2.8655882 -1.5258865 -0.6574974 -1.0933533 0.3332386 0.008579254 -0.21106529 0.009296417 -0.040988922 1.3307056 1.3461437 1.1422348 1.1124687 1.0466175 -0.46006966 0.030275345 -0.57629013 -0.1567955 -0.4902706 PC 18:1_20:5 -0.14588356 0.57447624 0.2351284 -0.09715462 -0.028295517 0.15137291 -1.8574047 -0.7963095 -3.9338007 -1.6009007 0.66366386 0.16515541 0.22380257 0.9400768 0.6608696 0.046583176 0.110076904 0.011341095 -0.011341095 0.2276802 -0.37067604 -2.1821508 -16.691238 -16.688332 -16.72915 1.0439739 0.61377907 0.5466404 0.8765335 -0.11652374 PE 16:0_20:4 -0.26672173 0.030191422 0.039621353 -0.24802971 -0.3861122 0.75761795 0.8890724 1.0599651 0.95528984 1.0044556 -0.8300438 -0.683651 -0.8205204 -0.94006157 -0.7570877 -0.042430878 0.10112953 -0.036729813 -0.008684158 -0.040254593 0.954216 0.85396767 0.82530975 1.0402374 0.8209419 -0.42282104 -0.44848824 -0.51950455 -0.34056282 -0.4844265 PE 16:0_20:5 -0.34783554 -0.12389374 -0.09648132 -0.4296131 -0.30169487 -2.2000217 -1.0535717 -1.381258 -2.5771942 -1.8796463 0.27256393 0.36509132 0.13778687 0.40151215 0.45035934 0.43889236 0.2894516 -0.2980671 0.17253494 0.10467529 -1.6263161 -5.129059 -1.1535835 -18.69321 -1.4719162 0.70591545 0.70157623 0.72624016 1.0952244 0.692297 PE 18:0_20:4 0.018435478 0.07674122 0.009507179 -0.03304577 -0.008238792 0.4905119 0.46337032 0.4807024 0.5094595 0.536046 -0.2682562 -0.19081783 -0.26511097 -0.27304554 -0.22108364 -0.118058205 -0.15319538 -0.066615105 -0.16985989 -0.08168316 0.24159908 0.19929981 0.16510105 0.16611004 0.31108952 -0.49563503 -0.50734806 -0.46932316 -0.49683666 -0.54152966 PE 18:0_20:5 -0.1793871 0.024441719 0.08022976 -0.19166279 -0.20854282 -2.7898169 -8.813909 -2.8439283 -20.69239 -3.4937544 0.5676317 0.5990515 0.6395292 0.6800928 0.8692999 0.4736681 -0.073384285 0.45559025 0.042952538 0.03675556 -3.0331469 -3.4132051 -2.5648222 -2.922082 -3.6535826 0.74273014 0.69160175 0.56956387 1.1792879 0.7386465 PE 18:0_22:6 0.013275147 0.36107826 -0.047819138 -0.07238388 -0.10702324 -0.25149345 -0.33538437 -0.14034462 -0.24856949 -0.34417152 -0.005332947 0.012559891 -0.038412094 -0.11651802 0.005332947 0.13358307 0.16549492 0.01030159 0.2567997 -0.06006813 0.012922287 0.005338669 0.0787487 0.03712845 -0.09430885 0.07388878 0.33447075 0.040729523 -0.011072159 -0.04675865 PE 18:1_20:4 -0.07166386 0.09846401 -0.016760826 -0.098511696 0.054541588 0.91759014 0.7743521 0.69227695 0.63592243 0.7662134 -0.43739796 -0.41644192 -0.3115244 -0.38990498 -0.29983807 -0.037510872 0.016760826 -0.3443632 -0.0695734 -0.051739693 0.53989315 0.6436529 0.41493702 0.7008772 0.75968456 -0.5205507 -0.45765972 -0.2752447 -0.44661617 -0.54931736 PE 18:1_20:5 -0.027042389 0.3648033 0.17235756 -0.069337845 -0.036108017 -2.6629639 -1.8358412 -1.0083961 -2.0545902 -2.9970255 0.7180939 0.366848 0.63903236 0.7258892 0.9778099 0.7240448 0.04816246 0.1448822 -0.003644943 0.14748192 -2.5187073 -2.417513 -1.2136974 -1.6624756 -1.9290037 0.67383194 0.5199642 0.7463474 1.8352146 0.79389954 PE 24:4_20:5 0.3985014 0.8177233 1.0419626 0.61858463 0.5701208 -1.6922312 -1.7998476 -2.005641 -1.9854078 -1.4764948 0.43139744 0.5796995 0.7870722 0.8645811 0.8775492 0.16250515 -0.04725933 -0.49781895 -4.8466167 -0.17070866 -2.4207697 -2.1729631 -2.5139666 -1.5249357 -1.9614096 0.0459795 -0.12250042 0.062060356 0.23743534 -0.14266682 PG 18:1_22:6 0.8201599 0.30020714 0.50076866 0.61650276 0.55867004 0.5106144 0.21495819 -0.35014153 -0.21759796 0.024721146 0.28292465 0.20858383 0.29273224 0.22873116 0.5408039 -0.22895813 0.022817612 -0.037988663 -0.3355713 -0.3986225 -0.79343224 -0.6534672 -0.9993305 -0.8813572 -0.18012428 -0.26083183 -0.37726402 -0.25294304 -0.022817612 -0.19069862 PG 18:2_22:6 0.14059544 -0.12956142 -0.21356869 0.09577465 1.1989775 0.08223438 1.5304384 1.0002623 0.96353626 1.0521879 -1.3310652 0.641284 -0.6753645 -0.37015438 -0.3664446 -1.548276 -1.0838213 -0.45518017 0.55984783 -1.2982512 0.09418774 0.530015 0.39835072 0.7532129 1.1173983 -1.1456118 -1.4867373 -3.158186 -0.72293377 -1.9312181 PG 20:3_20:4 2.1453257 0.6646633 -0.01506424 0.4322443 -0.5133009 1.587451 1.7215109 2.3213835 2.0929708 0.86789227 -14.780868 -0.050682068 0.29883766 -14.826106 0.61036587 0.57132626 -0.88467216 -14.4410925 -0.044757843 -0.35960197 -14.775823 1.4928293 -14.823701 1.058094 1.257308 -14.7018175 -14.687266 -14.863818 -14.596353 -14.68024 PG 20:3_22:6 0.9525032 0.6851368 1.0105019 0.5529938 0.9153061 0.4579754 0.6210346 0.27861977 0.96738434 1.1309528 -1.3041668 -18.035997 -0.8420658 0.5662136 0.52702713 0.25270844 -2.9491863 0.5119724 0.023302078 -1.6903248 -0.87961006 -0.7832928 0.14933395 -0.10490227 -0.023302078 -3.2004833 -17.974854 -2.3544025 -2.1441069 -4.5622873 PG 20:4_22:6 -0.27925968 0.9261923 -0.4920721 0.995759 1.2284327 1.0910463 1.3738585 0.92909527 1.2246885 1.2119169 -18.574066 -1.6361628 -18.551971 -18.619305 -18.503597 -1.537076 -1.0208406 -0.96620655 0.7640486 -2.0526 0.27925968 0.84681034 0.6338091 0.87995625 0.8505678 -18.495014 -18.480465 0.66045284 -18.38955 -3.9183092 PG 20:5_22:6 0.503315 0.112262726 0.63835716 0.3586483 0.4609928 -2.1554432 -1.9358959 -2.0317955 -2.1273956 -2.1579723 0.51244545 0.5307274 0.6650162 0.5275154 0.93525887 0.0371933 0.0837574 0.0771656 -0.11244202 -0.33142853 -2.5091648 -2.3687515 -2.4627705 -2.2704067 -2.0978012 -1.0023193 0.051858902 0.08555794 0.23902893 0.060260773 PG 22:4_22:6 -0.081744194 0.08650875 0.42224216 0.031271935 -0.2872038 1.7441454 1.6954641 1.183919 1.5798216 1.5633001 -0.72580814 -17.384342 -0.77533245 -3.6814995 -1.2973547 -0.031271935 -0.16577625 -0.56476307 -0.43319225 -0.5681219 1.0812273 1.5321131 1.1774111 1.4114103 1.6737795 -17.33775 -17.3232 -2.446207 -17.232285 -1.0924158 PG 22:5_22:6 0.75037766 0.48252678 0.7095432 0.48274422 -0.72182655 -2.924574 -2.0722904 -3.9463701 -2.4273224 -3.2292347 0.66366386 0.5378418 0.6752548 -0.4740181 0.89645576 0.16757202 0.26629066 0.15128899 -0.17392921 -0.3263874 -3.6205769 -3.9922838 -2.9640179 -2.8936577 -3.7700157 0.22004509 0.2532997 0.06725311 0.38324165 0.022289276 PG 22:6_22:6 0.49224377 0.36857128 0.44709682 0.31592274 0.48386097 -1.1536627 -1.1054335 -1.5099688 -1.2568369 -1.4036303 0.49870968 0.39303303 0.4936247 0.44887257 -0.45423794 0.007311821 0.11596775 0.1917963 -0.007311821 -1.790946 -1.8341913 -1.6791353 -1.8708887 -1.527875 -1.3693628 0.03933239 0.05187702 0.1695776 0.2704382 0.16783619 PI 16:0_20:4 0.02910328 0.09817982 -0.013316155 -6.77E-05 -0.005389214 -0.17929745 0.16714764 0.30762005 0.32674694 0.17281437 -0.17101192 -0.1856451 -0.20380688 -0.26726437 -0.368783 -0.001990318 0.0023489 0.09966183 0.003418922 0.12236881 0.50173855 0.41330624 0.49965763 0.035515785 0.33679104 -0.21268368 -0.23005581 -0.40848446 -0.7124376 -0.39126873 PI 16:0_20:5 -0.32504845 -0.42207146 -0.37460327 -0.22036362 -0.64071465 -18.530624 -5.773201 -18.569468 -18.587286 -18.523405 0.66908455 0.5170746 0.5357933 0.5332203 0.35063744 0.18907356 0.3919258 0.38001442 0.3921852 0.30236816 -18.613852 -3.252943 -3.587922 -18.658823 -18.699642 1.1177197 1.0223923 0.78583145 0.75728416 0.8542404 PI 18:0_20:4 0.03592968 0.05803585 0.027123451 -0.003663063 0.028523445 -0.088620186 0.08571339 0.115302086 0.09250355 0.04346752 0.051501274 0.07781887 0.042077065 -0.009514809 -0.016663551 -0.082297325 -0.07109547 -0.018567085 -0.04224491 -0.019526482 0.088080406 0.03929615 0.03955555 -0.10955334 0.049218178 -0.083958626 -0.122317314 -0.1614542 -0.36441708 -0.1168375 PI 18:0_20:5 -0.42512417 -0.36941433 -0.5839987 -0.13580799 -0.12779522 -20.703896 -5.3600197 -20.74274 -20.76056 -20.696678 1.0513487 0.78674793 0.73668957 0.69554996 0.5599432 0.14656734 0.22159481 0.48773098 0.37424564 0.34278584 -20.787125 -4.6562014 -4.706605 -4.9464226 -5.444227 1.3545122 1.2593317 1.0906897 0.6619711 1.2154627 PI 18:0_22:6 -0.20394039 -0.047127724 -0.34620953 -0.68887424 -0.44218922 -1.5470114 -1.3282309 -1.152524 -0.6856985 -1.2508307 0.177001 0.10628986 0.17495441 -0.1269865 0.17523289 0.047127724 0.1341238 0.072873116 0.28116512 0.14881992 -0.24302197 -0.108403206 0.20403767 -0.66971874 -0.21823788 0.6828699 0.7544546 0.53999233 0.058382988 0.5305872 PI 18:1_20:5 0.38821316 -0.19364262 -0.36326694 -0.05948162 -0.29243946 -5.733843 -3.4323244 -1.3631124 -1.1832476 -1.788187 0.9388094 0.61487675 0.74779034 0.8683901 0.54500484 0.20113468 0.12126827 0.009537697 -0.009537697 0.40149593 -1.5915098 -2.529708 -1.8331528 -1.74331 -2.3776236 0.9150686 0.9273195 0.9940119 0.5546293 0.98315334 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Name Formula Mass RT m/z Ion Species Class REFMET_ID EtherPC 18:0e_20:5 EtherPC 38:5e C46H84NO7P 793.5985405 8.812199 838.5961155 [M+CHO2]- Ether-linked phosphatidylcholine RM0134823 EtherPE 16:1e_20:4 EtherPE 36:5e C41H74NO7P 723.5202902 8.63045 722.5101395 [M-H]- Ether-linked phosphatidylethanolamine RM0017268 EtherPE 16:1e_20:5 EtherPE 36:6e C41H72NO7P 721.5046402 7.975255 720.5025533 [M-H]- Ether-linked phosphatidylethanolamine RM0134701 EtherPE 18:1e_20:4 EtherPE 38:5e C43H78NO7P 751.5515903 9.793259 750.5449595 [M-H]- Ether-linked phosphatidylethanolamine RM0134741 EtherPE 18:1e_20:5 EtherPE 38:6e C43H76NO7P 749.5359403 9.082616 748.527209 [M-H]- Ether-linked phosphatidylethanolamine RM0001619 EtherPE 18:1e_22:6 EtherPE 40:7e C45H78NO7P 775.5515903 9.578267 774.5435864 [M-H]- Ether-linked phosphatidylethanolamine RM0134745 EtherPE 18:2e_20:5 EtherPE 38:7e C43H74NO7P 747.5202902 8.042225 746.512573 [M-H]- Ether-linked phosphatidylethanolamine RM0134746 EtherPE 18:2e_22:6 EtherPE 40:8e C45H76NO7P 773.5359403 8.492795 772.5249082 [M-H]- Ether-linked phosphatidylethanolamine RM0134790 EtherPE 20:4e_20:4 EtherPE 40:8e C45H76NO7P 773.5359403 8.237544 772.5249431 [M-H]- Ether-linked phosphatidylethanolamine RM0134790 PC 16:0_20:5 PC 36:5 C44H78NO8P 779.546505 6.997822 824.5457488 [M+CHO2]- Phosphatidylcholine RM0134821 PC 18:0_20:4 PC 38:4 C46H84NO8P 809.5934552 8.794626 854.5939896 [M+CHO2]- Phosphatidylcholine RM0010755 PC 18:1_20:5 PC 38:6 C46H80NO8P 805.562155 7.121717 850.5614334 [M+CHO2]- Phosphatidylcholine RM0097851 PE 16:0_20:4 PE 36:4 C41H74NO8P 739.5152048 7.993866 738.5104493 [M-H]- Phosphatidylethanolamine RM0029374 PE 16:0_20:5 PE 36:5 C41H72NO8P 737.4995548 7.330714 736.4904612 [M-H]- Phosphatidylethanolamine RM0017268 PE 18:0_20:4 PE 38:4 C43H78NO8P 767.546505 9.162909 766.5361392 [M-H]- Phosphatidylethanolamine RM0134744 PE 18:0_20:5 PE 38:5 C43H76NO8P 765.5308549 8.469728 764.5200979 [M-H]- Phosphatidylethanolamine RM0134741 PE 18:0_22:6 PE 40:6 C45H78NO8P 791.546505 8.957595 790.5391802 [M-H]- Phosphatidylethanolamine RM0134743 PE 18:1_20:4 PE 38:5 C43H76NO8P 765.5308549 8.115043 764.5219088 [M-H]- Phosphatidylethanolamine RM0134741 PE 18:1_20:5 PE 38:6 C43H74NO8P 763.5152048 7.434689 762.5065442 [M-H]- Phosphatidylethanolamine RM0001619 PE 24:4_20:5 PE 44:9 C49H80NO8P 841.562155 8.235089 840.5509492 [M-H]- Phosphatidylethanolamine RM0003058 PG 18:1_22:6 PG 40:7 C46H77O10P 820.5254352 6.268456 819.5186294 [M-H]- Phosphatidylglycerol RM0008092 PG 18:2_22:6 PG 40:8 C46H75O10P 818.5097851 5.724093 817.5024326 [M-H]- Phosphatidylglycerol RM0009306 PG 20:3_20:4 PG 40:7 C46H77O10P 820.5254352 6.000173 819.518249 [M-H]- Phosphatidylglycerol RM0008092 PG 20:3_22:6 PG 42:9 C48H77O10P 844.5254352 5.925911 843.5182568 [M-H]- Phosphatidylglycerol RM0031213 PG 20:4_22:6 PG 42:10 C48H75O10P 842.5097851 5.617931 841.5028085 [M-H]- Phosphatidylglycerol RM0008285 PG 20:5_22:6 PG 42:11 C48H73O10P 840.494135 5.214599 839.4873629 [M-H]- Phosphatidylglycerol RM0008027 PG 22:4_22:6 PG 44:10 C50H79O10P 870.5410852 6.227672 869.5342832 [M-H]- Phosphatidylglycerol RM0030274 PG 22:5_22:6 PG 44:11 C50H77O10P 868.5254352 5.73246 867.5182884 [M-H]- Phosphatidylglycerol RM0030260 PG 22:6_22:6 PG 44:12 C50H75O10P 866.5097851 5.533289 865.5030689 [M-H]- Phosphatidylglycerol RM0134574 PI 16:0_20:4 PI 36:4 C45H79O13P 858.5258291 6.560884 857.5198015 [M-H]- Phosphatidylinositol RM0134522 PI 16:0_20:5 PI 36:5 C45H77O13P 856.510179 6.054386 855.5031175 [M-H]- Phosphatidylinositol RM0106290 PI 18:0_20:4 PI 38:4 C47H83O13P 886.5571292 7.542978 885.5471041 [M-H]- Phosphatidylinositol RM0134523 PI 18:0_20:5 PI 38:5 C47H81O13P 884.5414792 6.959687 883.5347411 [M-H]- Phosphatidylinositol RM0057194 PI 18:0_22:6 PI 40:6 C49H83O13P 910.5571292 7.391326 909.547989 [M-H]- Phosphatidylinositol RM0138711 PI 18:1_20:5 PI 38:6 C47H79O13P 882.5258291 6.141304 881.5183627 [M-H]- Phosphatidylinositol RM0134528 METABOLITES_END #END