#METABOLOMICS WORKBENCH uchicagomito_20250114_145649 DATATRACK_ID:5528 STUDY_ID:ST003664 ANALYSIS_ID:AN006021 PROJECT_ID:PR002273 VERSION 1 CREATED_ON January 16, 2025, 10:08 am #PROJECT PR:PROJECT_TITLE Tumour interstitial fluid-enriched phosphoethanolamine suppresses T cell PR:PROJECT_TITLE function PR:PROJECT_SUMMARY Nutrient stress represents a significant barrier for antitumor immunity, and PR:PROJECT_SUMMARY tumor interstitial fluid (TIF) often contains metabolites that hinder immune PR:PROJECT_SUMMARY function. However, it is difficult to isolate the effects of tumor nutrient PR:PROJECT_SUMMARY stress from other suppressive factors. Thus, we employed a chemically-defined PR:PROJECT_SUMMARY cell culture medium based on the metabolomic profile of TIF: Tumor Interstitial PR:PROJECT_SUMMARY Fluid Medium (TIFM). Culture of CD8+ T cells in TIFM limited cell expansion and PR:PROJECT_SUMMARY impaired CD8+ T cell effector functions upon restimulation, suggesting tumor PR:PROJECT_SUMMARY nutrient stress alone is sufficient to drive T cell dysfunction. We identified PR:PROJECT_SUMMARY phosphoethanolamine (pEtn), a phospholipid intermediate, as a driver of T cell PR:PROJECT_SUMMARY dysfunction. pEtn dampened T Cell Receptor (TCR) signaling by depleting T cells PR:PROJECT_SUMMARY of diacylglycerol required for TCR signal transduction. Reduction of pEtn PR:PROJECT_SUMMARY accumulation in tumors improved intratumoral T cell function and tumor control, PR:PROJECT_SUMMARY suggesting pEtn accumulation plays a dominant role in TME immunosuppression. PR:INSTITUTE University of Chicago PR:DEPARTMENT Comprehensive Cancer Center PR:LABORATORY UCCC-Metabolomics Platform PR:LAST_NAME Shah PR:FIRST_NAME Hardik PR:ADDRESS 900 E 57th street, Chicago, IL, 60637, USA PR:EMAIL hardikshah@uchicago.edu PR:PHONE 7738348830 #STUDY ST:STUDY_TITLE Tumour interstitial fluid-enriched phosphoethanolamine suppresses T cell ST:STUDY_TITLE function. ST:STUDY_SUMMARY Nutrient stress represents a significant barrier for antitumor immunity, and ST:STUDY_SUMMARY tumor interstitial fluid (TIF) often contains metabolites that hinder immune ST:STUDY_SUMMARY function. However, it is difficult to isolate the effects of tumor nutrient ST:STUDY_SUMMARY stress from other suppressive factors. Thus, we employed a chemically-defined ST:STUDY_SUMMARY cell culture medium based on the metabolomic profile of TIF: Tumor Interstitial ST:STUDY_SUMMARY Fluid Medium (TIFM). Culture of CD8+ T cells in TIFM limited cell expansion and ST:STUDY_SUMMARY impaired CD8+ T cell effector functions upon restimulation, suggesting tumor ST:STUDY_SUMMARY nutrient stress alone is sufficient to drive T cell dysfunction. We identified ST:STUDY_SUMMARY phosphoethanolamine (pEtn), a phospholipid intermediate, as a driver of T cell ST:STUDY_SUMMARY dysfunction. pEtn dampened T Cell Receptor (TCR) signaling by depleting T cells ST:STUDY_SUMMARY of diacylglycerol required for TCR signal transduction. Reduction of pEtn ST:STUDY_SUMMARY accumulation in tumors improved intratumoral T cell function and tumor control, ST:STUDY_SUMMARY suggesting pEtn accumulation plays a dominant role in TME immunosuppression. ST:INSTITUTE University of Chicago ST:DEPARTMENT Comprehensive Cancer Center ST:LABORATORY Metabolomics Platform ST:LAST_NAME Shah ST:FIRST_NAME Hardik ST:ADDRESS 900 E 57th street, Chicago, IL, 60637, USA ST:EMAIL hardikshah@uchicago.edu ST:PHONE 7738348830 ST:NUM_GROUPS 9 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - Ctrl_31 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Neg_Ctrl_31.mzML SUBJECT_SAMPLE_FACTORS - Ctrl_32 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Neg_Ctrl_32.mzML SUBJECT_SAMPLE_FACTORS - Ctrl_34 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Neg_Ctrl_34.mzML SUBJECT_SAMPLE_FACTORS - Ctrl_35 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Neg_Ctrl_35.mzML SUBJECT_SAMPLE_FACTORS - Ctrl_36 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Neg_Ctrl_36.mzML SUBJECT_SAMPLE_FACTORS - C_D1_31 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Neg_C_D1_31.mzML SUBJECT_SAMPLE_FACTORS - C_D1_32 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Neg_C_D1_32.mzML SUBJECT_SAMPLE_FACTORS - C_D1_34 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Neg_C_D1_34.mzML SUBJECT_SAMPLE_FACTORS - C_D1_35 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Neg_C_D1_35.mzML SUBJECT_SAMPLE_FACTORS - C_D1_36 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Neg_C_D1_36.mzML SUBJECT_SAMPLE_FACTORS - C_D3_31 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Neg_C_D3_31.mzML SUBJECT_SAMPLE_FACTORS - C_D3_32 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Neg_C_D3_32.mzML SUBJECT_SAMPLE_FACTORS - C_D3_34 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Neg_C_D3_34.mzML SUBJECT_SAMPLE_FACTORS - C_D3_35 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Neg_C_D3_35.mzML SUBJECT_SAMPLE_FACTORS - C_D3_36 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Neg_C_D3_36.mzML SUBJECT_SAMPLE_FACTORS - C_D5_31 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Neg_C_D5_31.mzML SUBJECT_SAMPLE_FACTORS - C_D5_32 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Neg_C_D5_32.mzML SUBJECT_SAMPLE_FACTORS - C_D5_34 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Neg_C_D5_34.mzML SUBJECT_SAMPLE_FACTORS - C_D5_35 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Neg_C_D5_35.mzML SUBJECT_SAMPLE_FACTORS - C_D5_36 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Neg_C_D5_36.mzML SUBJECT_SAMPLE_FACTORS - PC_D1_31 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Neg_PC_D1_31.mzML SUBJECT_SAMPLE_FACTORS - PC_D1_32 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Neg_PC_D1_32.mzML SUBJECT_SAMPLE_FACTORS - PC_D1_34 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Neg_PC_D1_34.mzML SUBJECT_SAMPLE_FACTORS - PC_D1_35 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Neg_PC_D1_35.mzML SUBJECT_SAMPLE_FACTORS - PC_D1_36 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Neg_PC_D1_36.mzML SUBJECT_SAMPLE_FACTORS - PC_D3_31 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Neg_PC_D3_31.mzML SUBJECT_SAMPLE_FACTORS - PC_D3_32 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Neg_PC_D3_32.mzML SUBJECT_SAMPLE_FACTORS - PC_D3_34 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Neg_PC_D3_34.mzML SUBJECT_SAMPLE_FACTORS - PC_D3_35 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Neg_PC_D3_35.mzML SUBJECT_SAMPLE_FACTORS - PC_D3_36 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Neg_PC_D3_36.mzML SUBJECT_SAMPLE_FACTORS - PC_D5_31 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Neg_PC_D5_31.mzML SUBJECT_SAMPLE_FACTORS - PC_D5_32 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Neg_PC_D5_32.mzML SUBJECT_SAMPLE_FACTORS - PC_D5_34 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Neg_PC_D5_34.mzML SUBJECT_SAMPLE_FACTORS - PC_D5_35 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Neg_PC_D5_35.mzML SUBJECT_SAMPLE_FACTORS - PC_D5_36 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Neg_PC_D5_36.mzML SUBJECT_SAMPLE_FACTORS - PE_D1_31 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Neg_PE_D1_31.mzML SUBJECT_SAMPLE_FACTORS - PE_D1_32 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Neg_PE_D1_32.mzML SUBJECT_SAMPLE_FACTORS - PE_D1_34 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Neg_PE_D1_34.mzML SUBJECT_SAMPLE_FACTORS - PE_D1_35 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Neg_PE_D1_35.mzML SUBJECT_SAMPLE_FACTORS - PE_D1_36 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Neg_PE_D1_36.mzML SUBJECT_SAMPLE_FACTORS - PE_D3_31 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Neg_PE_D3_31.mzML SUBJECT_SAMPLE_FACTORS - PE_D3_32 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Neg_PE_D3_32.mzML SUBJECT_SAMPLE_FACTORS - PE_D3_34 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Neg_PE_D3_34.mzML SUBJECT_SAMPLE_FACTORS - PE_D3_35 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Neg_PE_D3_35.mzML SUBJECT_SAMPLE_FACTORS - PE_D3_36 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Neg_PE_D3_36.mzML SUBJECT_SAMPLE_FACTORS - PE_D5_31 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Neg_PE_D5_31.mzML SUBJECT_SAMPLE_FACTORS - PE_D5_32 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Neg_PE_D5_32.mzML SUBJECT_SAMPLE_FACTORS - PE_D5_34 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Neg_PE_D5_34.mzML SUBJECT_SAMPLE_FACTORS - PE_D5_35 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Neg_PE_D5_35.mzML SUBJECT_SAMPLE_FACTORS - PE_D5_36 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Neg_PE_D5_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_Ctrl_31 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Pos_Ctrl_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_Ctrl_32 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Pos_Ctrl_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_Ctrl_34 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Pos_Ctrl_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_Ctrl_35 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Pos_Ctrl_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_Ctrl_36 Sample source:T cells | Genotype:Ctrl RAW_FILE_NAME(Raw file name)=Pos_Ctrl_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D1_31 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Pos_C_D1_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D1_32 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Pos_C_D1_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D1_34 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Pos_C_D1_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D1_35 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Pos_C_D1_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D1_36 Sample source:T cells | Genotype:C_D1 RAW_FILE_NAME(Raw file name)=Pos_C_D1_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D3_31 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Pos_C_D3_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D3_32 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Pos_C_D3_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D3_34 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Pos_C_D3_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D3_35 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Pos_C_D3_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D3_36 Sample source:T cells | Genotype:C_D3 RAW_FILE_NAME(Raw file name)=Pos_C_D3_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D5_31 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Pos_C_D5_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D5_32 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Pos_C_D5_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D5_34 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Pos_C_D5_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D5_35 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Pos_C_D5_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_C_D5_36 Sample source:T cells | Genotype:C_D5 RAW_FILE_NAME(Raw file name)=Pos_C_D5_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D1_31 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Pos_PC_D1_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D1_32 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Pos_PC_D1_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D1_34 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Pos_PC_D1_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D1_35 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Pos_PC_D1_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D1_36 Sample source:T cells | Genotype:PC_D1 RAW_FILE_NAME(Raw file name)=Pos_PC_D1_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D3_31 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Pos_PC_D3_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D3_32 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Pos_PC_D3_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D3_34 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Pos_PC_D3_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D3_35 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Pos_PC_D3_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D3_36 Sample source:T cells | Genotype:PC_D3 RAW_FILE_NAME(Raw file name)=Pos_PC_D3_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D5_31 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Pos_PC_D5_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D5_32 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Pos_PC_D5_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D5_34 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Pos_PC_D5_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D5_35 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Pos_PC_D5_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_PC_D5_36 Sample source:T cells | Genotype:PC_D5 RAW_FILE_NAME(Raw file name)=Pos_PC_D5_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D1_31 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Pos_PE_D1_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D1_32 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Pos_PE_D1_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D1_34 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Pos_PE_D1_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D1_35 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Pos_PE_D1_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D1_36 Sample source:T cells | Genotype:PE_D1 RAW_FILE_NAME(Raw file name)=Pos_PE_D1_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D3_31 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Pos_PE_D3_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D3_32 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Pos_PE_D3_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D3_34 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Pos_PE_D3_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D3_35 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Pos_PE_D3_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D3_36 Sample source:T cells | Genotype:PE_D3 RAW_FILE_NAME(Raw file name)=Pos_PE_D3_36.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D5_31 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Pos_PE_D5_31.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D5_32 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Pos_PE_D5_32.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D5_34 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Pos_PE_D5_34.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D5_35 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Pos_PE_D5_35.mzML SUBJECT_SAMPLE_FACTORS - Pos_PE_D5_36 Sample source:T cells | Genotype:PE_D5 RAW_FILE_NAME(Raw file name)=Pos_PE_D5_36.mzML #COLLECTION CO:COLLECTION_SUMMARY Single cell suspensions of OT-I splenocytes were cultured with SIINFEKL peptide CO:COLLECTION_SUMMARY and 50U/mL of IL-2 in RPMI for 24 hours. After the initial 24 hours of CO:COLLECTION_SUMMARY activation, cells were cultured in RPMI with 50U/mL of IL-2 until they were CO:COLLECTION_SUMMARY transferred into RPMI. CO:SAMPLE_TYPE T-cells #TREATMENT TR:TREATMENT_SUMMARY RPMI was supplemented with pEtn, choline or pCholine to match metabolite TR:TREATMENT_SUMMARY concentrations in TIFM for 1, 3 or 5 days prior to analysis on day 7 after TR:TREATMENT_SUMMARY initial activation. After treatment, 2 x 106 cells were pelleted and flash TR:TREATMENT_SUMMARY frozen. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For lipidomic analysis, 20uL of Avanti SPLASH deuterated internal standard mix SP:SAMPLEPREP_SUMMARY (1:100 dilution) was added to frozen cell pellets, followed by extraction with a SP:SAMPLEPREP_SUMMARY modified 44 method. In brief, ice-cold methanol containing 0.1mg/mL butylated SP:SAMPLEPREP_SUMMARY hydroxytoluene was added to the cell pellet followed by sonication for 3 minutes SP:SAMPLEPREP_SUMMARY and shaking for 5 mins at 15°C and 1000 rpm using Thermomixer. Then 900 uL of SP:SAMPLEPREP_SUMMARY methyl-tert-butyl ether (MTBE) was added to the cell pellets tubes to extract SP:SAMPLEPREP_SUMMARY the lipid species. The tubes were vortexed for 15 mins at 4°C and 1000 rpm on a SP:SAMPLEPREP_SUMMARY Thermomixer. The phase separation was induced by adding 300 µL of ice-cold SP:SAMPLEPREP_SUMMARY water followed by sonication for 3 mins, vortex for 15 mins at 15°C and 1000 SP:SAMPLEPREP_SUMMARY rpm, and centrifuge at 21,000g and 4°C for 15 mins. The upper organic layer SP:SAMPLEPREP_SUMMARY (400µL) was dried using the Genevac EZ-2.4 elite evaporator and stored at SP:SAMPLEPREP_SUMMARY -80°C. One aliquot was reserved for the positive ionization mode and the second SP:SAMPLEPREP_SUMMARY aliquot for the negative ionization mode. On the day of analysis, the dried SP:SAMPLEPREP_SUMMARY lipid extract was re-suspended in 40µL of 3/2/1 isopropanol/acetonitrile/water SP:SAMPLEPREP_SUMMARY at room temperature, sonicated for 3 minutes, vortex for 15 mins at 15°C and SP:SAMPLEPREP_SUMMARY 2000 rpm, and 25µL of supernatant was transferred to LC-MS vial. A pooled QC SP:SAMPLEPREP_SUMMARY sample was generated using the remaining samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipids were separated on Thermo Scientific Accucore C30 (2.1x150 mm, 2.6µm) CH:CHROMATOGRAPHY_SUMMARY column connected to a Vanquish Horizon UHPLC system and IQ-X tribrid mass CH:CHROMATOGRAPHY_SUMMARY spectrometers. The column temperature, injection volume, and flow rate were CH:CHROMATOGRAPHY_SUMMARY 45°C, 4 µL, and 0.26 mL/min, respectively. The mobile phase A (MPA) was 60/40 CH:CHROMATOGRAPHY_SUMMARY acetonitrile/water, 10mM ammonium formate + 0.1% formic acid and MPB was CH:CHROMATOGRAPHY_SUMMARY 89.1/9.9/0.99 isopropanol/acetonitrile/water, 10 mM ammonium formate + 0.1% CH:CHROMATOGRAPHY_SUMMARY formic acid. The chromatographic gradient was 0 minute: 30%B, 2.00 minutes CH:CHROMATOGRAPHY_SUMMARY (mins): 43% B, 2.1 mins: 55%B, 12.00 mins: 65%B, 18.00 mins: 85%B, 20.00 mins: CH:CHROMATOGRAPHY_SUMMARY 100%B, 25.00 mins:100%B, 25.1 mins:30%B and 30.00 mins:30%B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Scientific Vanquish Horizon UHPLC CH:COLUMN_NAME Thermo Scientific Accucore C30 (2.1x150 mm, 2.6µm) CH:SOLVENT_A 60% Acetonitrile/40% Water; 10mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 89.1% isopropanol/9.9% acetonitrile/0.99% water; 10 mM ammonium formate; 0.1% CH:SOLVENT_B formic acid CH:FLOW_GRADIENT 0 minute: 30%B, 2.00 minutes (mins): 43% B, 2.1 mins: 55%B, 12.00 mins: 65%B, CH:FLOW_GRADIENT 18.00 mins: 85%B, 20.00 mins: 100%B, 25.00 mins:100%B, 25.1 mins:30%B and 30.00 CH:FLOW_GRADIENT mins:30%B. CH:FLOW_RATE 0.260 mL/min CH:COLUMN_TEMPERATURE 45℃ CH:INJECTION_TEMPERATURE 15℃ #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap IQ-X Tribrid MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS1 parameters were as follows: spray voltage: 3500 V for positive ionization MS:MS_COMMENTS and 2500 V for negative ionization modes, sheath gas: 40, auxiliary gas: 10, MS:MS_COMMENTS sweep gas: 1, ion transfer tube temperature: 300°C, vaporizer temperature: MS:MS_COMMENTS 350°C, orbitrap resolution: 120K, scan range(m/z): 250-2000 for pos, 200-2000 MS:MS_COMMENTS for neg,, RF lens(%): 60, automatic gain control (AGC) target: 50%, and a maxIT MS:MS_COMMENTS of 100 milliseconds (ms). Quadrupole isolation and Internal calibration using MS:MS_COMMENTS Easy IC were enabled. Lipids were identified by performing the MS2 and MS3 MS:MS_COMMENTS experiments in the orbitrap mass analyzer. A comprehensive data-dependent HCD MS:MS_COMMENTS MS2 experiment with conditional CID MS2 and MS3 data-acquisition strategy was MS:MS_COMMENTS applied for the in-depth characterization of lipid species. Lipid fragmentation MS:MS_COMMENTS was obtained by first MS1 data acquisition in full scan mass range (200-2000) MS:MS_COMMENTS followed by the data-dependent (dd) MS2 with the normalized stepped HCD MS:MS_COMMENTS collision energy (%) at 25, 30, 35, OT-30K resolution, maxIT-54 ms. If the HCD MS:MS_COMMENTS fragmentation had the fragment ion- 184.0733 m/z (phosphocholine head group) MS:MS_COMMENTS then the same ions were subjected either to ddMS2 CID (fixed collision MS:MS_COMMENTS energy-32% , activation time-10 ms & Q-0.25, 30K resolution, 100 % normalized MS:MS_COMMENTS AGC target and maxIT-54 ms) or CID MS3 scans (fixed collision energy-35%, MS:MS_COMMENTS activation Q-0.25) triggered on the top 3 most intense ions that lost neutral MS:MS_COMMENTS fatty acids plus ammonia (only for triacylglycerols). A total of six injections MS:MS_COMMENTS were made to generate fragmentation data using the AcquireX workflow on the MS:MS_COMMENTS pooled QC samples. The Thermo Scientific LipidSearchTM software version 5.0 was MS:MS_COMMENTS used to generate the list of identified lipid (Precursor tolerance ± 3 ppm, MS:MS_COMMENTS production tolerance ±5.0 ppm, product threshold- 1.0). [M+H] adduct was used MS:MS_COMMENTS to identify and quantify HexCer,SM, SPH,MePC, CoQ, AcylCarnitine,LPC,LPE,PC and MS:MS_COMMENTS PE species while [M+NH] was for the TG, DG, cholesteryl ester species. These MS:MS_COMMENTS identified lipid species were quantify using the Compound Discoverer 3.3 and MS:MS_COMMENTS Skyline45 (v24.1) software. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS A.U. MS_METABOLITE_DATA_START Samples Ctrl_31 Ctrl_32 Ctrl_34 Ctrl_35 Ctrl_36 C_D1_31 C_D1_32 C_D1_34 C_D1_35 C_D1_36 C_D3_31 C_D3_32 C_D3_34 C_D3_35 C_D3_36 C_D5_31 C_D5_32 C_D5_34 C_D5_35 C_D5_36 PC_D1_31 PC_D1_32 PC_D1_34 PC_D1_35 PC_D1_36 PC_D3_31 PC_D3_32 PC_D3_34 PC_D3_35 PC_D3_36 PC_D5_31 PC_D5_32 PC_D5_34 PC_D5_35 PC_D5_36 PE_D1_31 PE_D1_32 PE_D1_34 PE_D1_35 PE_D1_36 PE_D3_31 PE_D3_32 PE_D3_34 PE_D3_35 PE_D3_36 PE_D5_31 PE_D5_32 PE_D5_34 PE_D5_35 PE_D5_36 Factors Sample source:T cells | Genotype:Ctrl Sample source:T cells | Genotype:Ctrl Sample source:T cells | Genotype:Ctrl Sample source:T cells | Genotype:Ctrl Sample source:T cells | Genotype:Ctrl Sample source:T cells | Genotype:C_D1 Sample source:T cells | Genotype:C_D1 Sample source:T cells | Genotype:C_D1 Sample source:T cells | Genotype:C_D1 Sample source:T cells | Genotype:C_D1 Sample source:T cells | Genotype:C_D3 Sample source:T cells | Genotype:C_D3 Sample source:T cells | Genotype:C_D3 Sample source:T cells | Genotype:C_D3 Sample source:T cells | Genotype:C_D3 Sample source:T cells | Genotype:C_D5 Sample source:T cells | Genotype:C_D5 Sample source:T cells | Genotype:C_D5 Sample source:T cells | Genotype:C_D5 Sample source:T cells | Genotype:C_D5 Sample source:T cells | Genotype:PC_D1 Sample source:T cells | Genotype:PC_D1 Sample source:T cells | Genotype:PC_D1 Sample source:T cells | Genotype:PC_D1 Sample source:T cells | Genotype:PC_D1 Sample source:T cells | Genotype:PC_D3 Sample source:T cells | Genotype:PC_D3 Sample source:T cells | Genotype:PC_D3 Sample source:T cells | Genotype:PC_D3 Sample source:T cells | Genotype:PC_D3 Sample source:T cells | Genotype:PC_D5 Sample source:T cells | Genotype:PC_D5 Sample source:T cells | Genotype:PC_D5 Sample source:T cells | Genotype:PC_D5 Sample source:T cells | Genotype:PC_D5 Sample source:T cells | Genotype:PE_D1 Sample source:T cells | Genotype:PE_D1 Sample source:T cells | Genotype:PE_D1 Sample source:T cells | Genotype:PE_D1 Sample source:T cells | Genotype:PE_D1 Sample source:T cells | Genotype:PE_D3 Sample source:T cells | Genotype:PE_D3 Sample source:T cells | Genotype:PE_D3 Sample source:T cells | Genotype:PE_D3 Sample source:T cells | Genotype:PE_D3 Sample source:T cells | Genotype:PE_D5 Sample source:T cells | Genotype:PE_D5 Sample source:T cells | Genotype:PE_D5 Sample source:T cells | Genotype:PE_D5 Sample source:T cells | Genotype:PE_D5 CL(72:4) 9090917 10184512 9247276 1125431 8526547 7599218 5801480 7700139 7455472 7768423 5976523 3747452 5681989 34471.2 5204380 7501523 5736081 4145446 34471.2 9958795 7238706 7037042 6562392 8490440 4794302 3094933 3158240 4838881 6785610 5334457 7671902 5385590 3382545 8405462 9309277 34471.2 3401645 7966036 2030253 8366951 1408838 953991 2515054 1502462 344712 1612407 1852302 2571846 2042683 3485805 GM1(d34:1) 1190630.915 2056647.279 1916853.916 349808.1671 1212931.27 895004.6372 935720.2896 902237.4302 1437682.873 1358960.596 1393258.241 376994.5705 692051.1596 218999.4795 784705.892 606232.6954 509425.7642 635580.1817 62534.27568 1284142.91 1298853.606 568125.6325 925553.0321 1318331.926 1671881.196 571909.4416 275400.4633 475611.879 933607.428 767717.9931 646647.0899 734830.5524 478156.683 663727.3528 951444.731 373350.8755 749998.1381 586680.6058 320260.5601 1105899.947 568229.6102 364826.471 457774.9295 574525.7179 357816.4961 349421.4178 444045.9843 433321.1118 387543.9136 543449.2592 GM1(d40:1) 557448.8527 962991.8485 847513.3657 269378.1044 455219.7236 430197.9175 445943.1707 525658.9623 554523.2174 565608.0224 677752.0829 325226.4175 444258.6277 172768.9566 358713.4943 337151.3835 369542.6438 372312.6348 21886.62273 434951.9293 672351.9383 303723.3289 545822.25 589890.8626 794982.6366 248306.3126 202101.507 214956.4984 400988.2422 410425.4592 324472.024 298299.8792 266673.8846 281743.7733 353776.561 258625.0459 465026.1604 477357.9305 347578.3827 720820.1736 533988.1938 381026.1289 431518.5159 475743.6902 285212.3822 466381.5157 415846.4252 400194.0493 379755.6034 445013.3807 GM1(d42:1) 2385950.759 3755551.428 2957352.488 1177554.075 1596927.508 2180273.016 1653318.415 2136370.384 2255137.174 2436691.96 3228083.476 1624404.431 2037987.952 889117.7612 1924516.921 1683134.916 1563976.827 1706242.372 49160.15102 2201739.139 3040584.876 1607917.587 2289902.25 2047011.237 2750682.956 1429968.643 1024618.637 1083611.66 2033926.917 2021483.029 1799105.098 1341475.71 1468395.479 1368937.387 1985726.301 1035764.664 2285095.391 2051201.476 1491991.534 3239361.099 3447731.317 1877932.436 2438811.746 2753147.891 1637539.974 2804481.474 2530074.04 2302205.047 2312502.326 2570387.976 GM1(d42:2) 1410849.321 2373629.577 2067182.699 811505.7412 1232575.688 1306755.573 1361368.049 1476111.57 1746317.03 1577046.721 1904819.063 1133460.422 1434926.973 798388.2244 1242530.478 1270404.369 1294474.053 1359233.373 80475.61993 1645619.727 1882401.895 997127.9209 1474542.901 1567479.791 2006435.792 841172.8068 716516.0041 826676.9452 1439527.285 1262138.822 1237331.928 1197908.107 1046583.434 1316457.35 1607687.924 604577.9829 930004.6526 877266.6172 813553.6098 1398686.83 970143.6267 756932.6196 948274.8789 1115307.509 547070.6786 1031143.833 965138.795 809217.7383 759397.6149 1125817.805 LBPA(18:0_18:1) 5615421.413 6594270.188 5043746.703 4627562.743 5058486.273 5099223.302 4699030.353 5197919.404 5607969.21 4381367.898 5019652.848 4303354.247 4987671.746 2482254.345 4899057.557 5054893.447 4463140.051 5426174.675 428466.8526 5585979.423 5797876.049 4737302.211 5322873.203 4370822.536 5532006.11 4539665.201 4485945.999 4346576.137 4462286.049 4465376.155 5415522.594 4897880.868 5236401.021 5241370.565 5185615.065 2785933.852 5515622.813 6789917.746 6332963.418 7775354.593 5036570.525 3781481.682 5383642.001 6104841.461 4855998.937 6564418.449 6667028.263 6018545.151 6797289.279 7369499.727 LBPA(18:0_20:4) 653882.3229 743243.3302 494491.6417 407247.5752 355132.8978 389033.3662 707882.7931 826976.7315 916707.0179 820890.4244 1204581.709 1400529.457 846931.8722 645400.9582 672496.7059 613541.8786 891967.2973 584653.6116 27872.05785 959946.5388 516878.0213 660232.6815 505979.8595 565623.8496 593206.3909 1085041.731 1112293.877 933417.5082 733855.6744 404760.7876 679893.373 588349.1449 826789.6461 581040.5852 498318.6905 98489.72046 262662.6174 138509.069 201611.2861 158953.743 329853.9432 355856.308 155701.2977 305588.3959 159580.97 255135.3173 252175.3523 276345.9174 225121.0277 132586.2687 LBPA(18:1_18:1) 6733603.514 10195130.71 6574813.749 4799670.704 6469840.397 7448809.235 7934750.266 6937901.767 9489914.992 6407684.001 11907451.13 6282997.354 7885438.433 3881124.457 11394558.05 9129643.238 5331556.535 9485354.549 512534.5682 11742102.12 7336619.902 7982530.403 6632272.795 5052511.739 5808145.313 8259293.214 4782471.139 7846212.912 6567615.548 9393508.919 9172002.347 7387346.275 9215034.518 10350226.61 9502654.867 3789538.56 4851042.775 4368215.379 2714897.574 4052210.022 3602828.449 2318547.181 4471614.718 3702291.699 7881444.808 3620637.397 3584468.253 5771221.691 5086354.759 4643288.469 LPI(18:0) 4193650.674 4008427.987 3254873.903 1439076.113 2679779.414 1796084.457 2049032.826 1980513.82 2575611.407 3251067.678 1663588.239 681441.2044 1196908.425 428943.653 1475590.019 1804188.457 895644.6508 1752377.091 33810.0769 2693131.326 3229330.232 1826735.261 1896841.503 2407787.262 3595485.075 952595.5985 579972.2611 961509.7475 1343137.259 1715971.459 1835437.668 1320392.573 1474683.005 2045107.338 2650562.068 561741.3651 2060484.554 2231724.113 1905622.98 5071322.074 987481.1476 589453.452 1358966.072 1218198.84 1260160.287 987936.3852 1198692.305 1180893.873 1289238.124 1868154.225 PE(16:0_18:0) 1456542.11 2146105.09 1507724.643 1407887.85 1528483.006 1561194.716 1554914.54 1581623.769 1875156.788 1576457.333 1529928.457 1155384.749 1215383.262 1031813.9 1302913.174 1355157.1 1029281.731 1529314.472 1001731.207 1533264.842 1880819.18 1480587.369 1583485.197 1641883.33 1564315.27 1084686.488 890193.9445 1027825.483 982798.5564 1209759.862 1241569.276 1456876.534 1167500.112 1535415.547 1336186.931 3434944.979 4030848.279 4838025.144 4505045.577 7926457.857 2820886.284 2397025.428 3320087.42 2984742.5 3549817.268 3318042.971 2637543.523 3049723.482 3614587.028 4328043.888 PE(17:0_18:1) 2280363.784 2477386.542 2273599.532 1941706.232 2246308.151 1893136.651 1645760.436 1926096.296 2069614.907 1871059.547 1835061.228 1393425.364 1595876.036 1432787.164 1646669.174 1207639.919 1111751.294 1577497.581 1100194.106 1719532.809 2137814.639 1774681.1 1967946.366 1847401.851 2191343.005 1430462.031 1443349.903 1382889.193 1465833.007 1469991.203 1179447.81 1231388.551 1233990.991 1454031.383 1658762.255 5452815.76 4853929.168 6627462.496 6531254.068 7528318.28 5655326.992 4277301.714 5887800.365 5647338.367 5182922.951 5528700.934 5504701.976 4720218.852 4955965.543 5640583.333 PE(18:0_20:3) 4935265.498 5889600.426 5632598.806 4864586.956 5313926.814 3951871.381 3972894.711 4429067.545 4756367.206 4341312.525 4128507.722 3333261.588 3250975.053 3276761.985 2967704.831 1976424.365 2324040.047 2925078.034 2013654.449 2826790.022 4734205.422 3978473.207 4546005.252 4399559.135 4929065.095 2973530.546 3326840.917 2906176.498 3249330.312 2519307.238 2067253.273 2614508.683 1995847.917 2493383.899 2831181.48 11982868.31 10346349.53 13613525.34 14056102.38 15304166.16 13946219.16 10565079.72 13446489.06 13181417.75 10580048.06 11092807.61 12206724.83 9761650.883 9511220.348 9957227.092 PE(18:0_22:4) 1598393.23 2358681.699 1481111.335 1368336.478 1394854.243 1428465.525 1806521.026 1373376.4 1616452.883 1246082.962 1914466.225 2029917.791 1233452.8 31651.24551 1137453.05 1023197.396 1314522.495 1206261.256 766292.3551 1086028.836 1758227.816 1705535.374 1428836.296 1458191.746 1255202.383 1619942.304 1708933.903 1156254.283 1310155.863 943555.5748 959267.0282 1516864.074 768664.1295 907371.9638 1043932.506 4704939.875 4533945.305 4089742.195 3971209.54 4175883.518 5965096.207 4992230.889 4264427.873 4459951.845 3566154.236 4726097.653 5179286.722 2969519.341 3047725.103 2970954.275 PE(18:1_20:1) 1028204.605 1318505.341 1182716.979 1132936.576 1034465.911 1263542.641 1287477.346 1299694.942 1365730.643 1114430.304 1306028.078 2202283.537 2025236.007 1851061.814 1801386.621 1686430.928 1567804.345 1897364.402 1351997.277 1864135.008 1089404.964 1191647.469 1273279.951 1234944.1 1180059.372 1567695.495 2065696.682 1698046.829 1919465.634 1713143.116 1632067.012 1747656.893 1839473.786 2338965.423 1961288.027 4117718.466 3737002.864 4414908.235 4700551.97 4701054.22 4739157.586 4492052.873 5215406.988 5673358.23 5293451.924 6298475.642 5816298.677 5473852.615 6512173.71 6526880.693 PE(18:1_22:5) 2541453.966 3578635.459 2567422.331 2453955.342 2355207.511 3228895.294 2809096.62 2653503.903 3877934.636 2758824.696 3448791.285 4296771.506 3616632.5 3755518.656 4028178.972 2581913.465 2866815.977 3576639.742 2783370.206 3483467.639 3712080.571 3025408.192 3183542.906 2754819.053 2973196.709 4530655.956 4377026.437 3720284.454 4813676.814 3351180.413 3251818.359 3452969.885 3022395.643 3657442.352 3682044.727 6617293.14 6528818.461 7209378.741 6206512.118 7771352.734 9177418.85 6307614.243 6327460.548 9131872.564 6590154.918 6691769.572 7766961.306 5587690.926 6126967.491 4735030.388 PE(34:3) 346840.7985 329361.6548 252506.5825 198402.3147 240563.8422 334731.8272 192325.5886 252900.3513 271698.1905 268818.9898 321408.1797 272405.6577 287986.5392 233148.8618 367393.6747 282036.7152 179944.7946 338820.6761 210417.3967 411313.0032 357690.0967 260467.2643 270367.5997 207957.0231 316175.7837 405202.7742 319659.8137 303485.8458 297741.7227 348848.3288 352193.8819 270425.5259 294969.2845 355563.0252 417634.5227 1407505.009 1126933.98 1478788.891 1191811.551 1711570.324 1463529.682 800030.2895 1096116.22 1285128.566 1457862.784 992795.2796 949550.7314 963773.8192 1008500.181 907915.241 PE(O-16:1_16:1) 1664623.018 1581339.221 1157118.733 836460.9039 1119927.219 1579368.62 991605.0878 1031956.372 1076220.117 1040294.117 1458521.621 1986086.699 1722748.582 1235986.577 2043662.447 2278136.429 1454971.935 2070381.213 1302831.834 2602938.441 1499996.754 939137.2555 1026492.568 716513.5908 1157837.887 2396492.375 1991071.713 1728564.677 1687774.075 1977230.654 2635908.605 1657975.796 2233689.154 2307050.903 2623203.143 11376568.77 8011919.105 9246292.94 6687156.832 9631313.303 11154902.42 5956089.91 10000775.22 10786194.24 15890028.36 10612867.68 7976929.395 10864589.78 12096023.41 11220867.02 PE(O-16:1_18:2) 1852988.789 4235782.524 2331002.228 2245618.889 3156249.735 2090998.039 3073543.977 2350423.506 3268981.659 2348743.286 5607839.337 3739160.687 3091511.09 1875430.177 4906085.108 6025114.725 2677093.817 4507878.935 3413196.694 5531868.887 2698712.028 2665810.712 2118977.249 1983489.48 1811380.666 5718588.566 2251656.765 3291447.197 1888878.647 4271461.955 5008643.372 3053240.894 3933950.189 4784742.35 3579154.718 24782419.72 24856117.01 15027129.64 12314187.8 19462429.74 23160492.77 19759393.7 18115638.35 16918970.86 32899704.15 17526614.93 15689594.97 20236837.21 21405249.29 17645360.61 PE(O-16:1_20:4) 49945261.33 55757560.32 42764881.81 32843184.66 39468621.53 47318136.41 34567731.4 36406059.41 39722576 37275594.93 51641480.02 36834173.7 39044111.44 30037152.06 44721427.63 43091290.1 31147922.8 46222019.05 29330521.25 51756917.55 51075654.81 33684625.41 38466956.07 29001250.9 43642665.21 47456554.43 35972081.92 37472853.52 36008764.35 39041108.24 47292544.18 39134287.72 40904409.38 41531591.24 49966940.01 63943145.82 58313754.72 65547174.53 51779865.15 69549128.59 62209037.52 35759492.17 47064065.17 58917889.34 60408638.24 47590388.62 51065037.57 47789114.76 49277678.05 43569352.46 PE(O-16:1_20:5) 11886471.47 13245354.87 10716232.34 8049884.624 10209244.86 12003509.61 8388930.309 9501444.989 10351000.58 10471683.75 13384001.04 7008624.423 10225880.77 6903208.696 13004636.85 11023782.41 6685941.872 10873795.04 7623995.406 13264167.6 12463795.4 9615297.645 10204262.42 7090602.263 11651028.27 10523738.18 7131526.888 9781681.424 8166198.431 11288413.9 11796035.04 8820692.524 10947358.88 10467436.22 12714556.95 15417978 13016222.84 15767581.44 12141739.48 16674519.54 15050962.1 8489067.347 13032413.07 14311875.68 15853365.37 11130382.55 11848473.11 12355240.8 12384683.31 10885406.07 PE(O-16:1_22:4) 6772485.36 7592957.556 4858221.915 4071341.291 4392229.193 6805371.909 5476961.929 4607387.36 5067198.05 3823807.702 7568549.587 9158854.99 6963970.032 6530396.191 5545323.543 6257806.952 6502151.375 7255740.717 3776642.468 6951075.359 8057593.111 5217141.54 4699966.132 3685547.829 4610219.011 8367763.577 8735291.621 5768428.998 5937759.091 5067192.59 6236384.333 6583958.921 5736200.181 5694053.598 6652175.661 6717196.573 5029113.633 4974080.016 5475391.21 6479127.702 5251451.772 3809734.258 3537399.021 4291053.874 3179942.03 4514850.587 4500888.566 2768768.282 3168465.62 3155492.612 PE(O-16:1_22:5) 50233748.58 78583351.51 54151313.24 46866487.63 57557480.9 54738143.44 52454521.58 50697510.97 65512549.84 49876997.84 82145189.44 55767412.12 53150809.98 44467708.88 61760437.42 58025416.3 43658756.42 63810333.08 46395543.25 67524573.56 64015695.88 49724372.73 50638540.95 43038350.07 50267466.86 75512764.77 48850536.1 54254206.16 48496827.82 50532265.28 60219090.11 47016559.73 51974870.1 57521983.52 58915084.27 73124017.36 69624350.85 61938635.51 51288856.52 70145140.45 67826373.13 45236639.27 47612374.22 58076175.05 64918091.58 49661454.45 51806618.24 48389193.26 50552719.99 43435639.55 PE(O-16:1_22:6) 96023736.72 110844779.8 88816706.32 66923868.25 77978681.57 79723344.68 77862579.58 90985705.18 99668036.01 106798695.8 117089416.6 80779313.83 79177849.72 76361635.92 85986368.18 78434060.8 65009450.18 88391673.01 76667962.69 117982000 93981483.8 70631711.32 79328097.87 66340635.98 89903108.39 93834159.46 76526602.16 81562482 69022127.07 64315831.86 82740201.06 69426118.62 81301454.44 80243460.92 90403840.86 97073437.78 76892149.2 73831259.77 67466073.84 84834038.4 76806539.4 51816071.81 56189378.56 73220979.23 72607460.98 60431364.97 59218826.49 66141693.84 64128384.47 54524366.08 PE(O-18:1_18:1) 17715948.24 18547494.12 15873144.53 12875568.15 13615891.4 19733829.37 10180043.57 14226601.25 15459571.07 13330753.68 19515161.15 24996921.21 24717164.35 18068046.18 24603243.62 26681950.01 21092604.7 26593671.76 13768749.35 29758806.04 16323503.26 13730774.58 14513636.03 11136321.04 13886406.95 25259639.67 25560541.81 20935859.56 21786826.31 22891622.76 26830957.97 19707684.63 25521155.73 17710885.97 29468235.46 42619890.24 41555747.1 47662323.31 40409797.86 47025030.94 70584018.24 51909054.58 68591831.81 66574930.54 75441885.07 76643392.29 66054299.19 67487292.57 77108158.68 71368779.66 PE(O-18:1_18:2) 3113657.667 3243958.623 2746059.969 2225668.47 2597972.871 3185812.403 2583640.611 2558112.266 2552913.028 2287280.461 3291370.1 3727936.257 3887805.798 2677704.732 3888290.938 4192573.149 3064409.228 3897213.629 2296509.771 4584947.019 2746261.623 2407099.635 2449856.317 2019934.435 2396111.573 3804166.539 3488506.304 3109020.955 3023707.118 3601683.533 4090620.329 2999641.088 3759231.708 3888915.784 4551783.086 11438386.19 10058521.52 11526121.42 10031845.87 11729920.95 14427781.55 11158689.41 15360561.26 14041802 15581930.83 17433389.67 13211629.89 13655529.03 15666083.77 16169727.27 PE(O-18:1_20:1) 3528844.884 4299386.718 3824062.144 3309153.063 3220127.246 4623555.845 3874149.903 4057882.571 4285303.654 3432090.515 5167325.306 7112318.311 7410862.668 5767039.463 6894356.932 6540580.804 6404397.565 6541130.784 3168076.158 7058663.139 3864658.966 3873978.745 3754625.141 3488699.547 3612678.392 5674782.674 6404036.82 6084532.587 6601566.529 6259928.024 6560946.876 5615568.45 6698193.764 6606911.602 6891344.11 3605197.279 4479966.343 4930084.301 4377418.42 5088556.724 5684914.706 4511772.442 6604891.055 5932535.464 7129888.182 7404948.786 6013437.321 6467280.094 6788528.845 6988314.792 PE(O-18:1_20:4) 38427798.59 42059334.39 34046529.55 30420938.35 29587408.36 36917377.6 32084423.24 31398819.44 31643477.21 25662012.23 37422454.49 35689947.89 36571759.95 29903147.9 34578805.67 31592621.44 31521565.96 33669343.95 20695694.84 34965718.81 33647498.99 30090249.5 30424887.62 26102796.04 29922638.05 34093586.87 33748772.61 29635630.22 31120097.91 29195126.17 34500934.11 29160013.59 30983563.62 29645380.01 34903835.59 47585232.06 39093315 45797868.42 42736517.12 45993775.38 59747041.36 43937583.09 56902745.3 55357697.02 47887971.62 58710380.32 52263037.81 45978117.53 47021400.26 47493711.66 PE(O-18:1_20:5) 7824749.313 9558298.928 7762174.018 6778044.357 7711575.901 8291986.283 6632225.08 7579718.284 7775531.166 6714239.622 8843850.693 6354447.801 8713950.622 6663950.803 8953143.723 7885680.764 6092416.875 7721615.315 5194358.807 8688803.151 8093380.626 6131009.414 7351369.232 5502550.752 7567250.921 7382768.169 6313151.804 7430459.26 6705394.286 7660474.895 8638672.594 6542859.912 8288267.968 7091861.933 7664205.581 9472112.228 7274952.693 9555951.536 7879089.633 9731546.716 11787855.74 7661363.036 10696829.89 11055371.43 9500236.417 10880264.52 10307943.74 9665586.355 9959393.151 9362711.398 PE(O-18:1_22:4) 3203085.233 3944505.819 2753409.792 2525339.085 2363335.205 3812065.671 3362222.344 2670257.278 3195582.883 2381073.279 4408383.687 5629354.755 3845299.731 3663363.764 3401863.254 3167792.349 3985623.219 3573885.91 2090567.251 3323721.235 3380003.088 3148078.02 2927194.045 2610272.299 2596142.876 4702941.144 5519206.649 3513589.362 4572325.607 2864125.347 3461330.531 3280544.758 2859562.488 2686230.656 3488252.873 3157073.352 3494328.64 3335087.18 3249070.605 3437480.639 4599280.286 3592898.971 3355619.289 3750952.365 3052250.284 4143777.657 4847046.619 2866357.889 3375079.268 2912238.604 PE(O-18:1_22:5) 24797911.11 30508984.91 24069609.14 23119803.81 21290036.68 26855289.05 24930403 24292442.54 25998539.25 20180101.33 32070366.03 33068753.39 30999592.4 28113704.22 27189021.45 23661850.7 26181880.06 24978820.47 16561388.67 24022791.81 24412064.2 23406809.67 23500565.63 21762624.46 21433129.07 28877407.13 29754052.92 25158164.34 28784853.2 22351745.55 24470500.61 20480536.69 22767405.09 20755245.69 24192974.89 27604673.88 23874443.17 26867937.83 26936266.41 26956281.69 36634008.73 27488511.76 32317843.6 33053362.53 26688181.3 35719387.22 33539908.46 26775034.43 29060971.5 28837318.49 PE(O-18:1_22:6) 40930557.02 50869179.27 39245254.4 36619677.68 35920924.04 46591839.03 42141953.75 42892297.89 47630837.25 34798652.47 55176462.87 51243454.08 51099194.6 46125044.26 45634193.22 40972588.88 43133432.3 42629206.15 28065647.14 42429259.74 44645974.98 40752544.85 41461614.35 37771098.17 40517000.63 46719631.91 47788209.45 42189644.94 45487809.14 38039253.51 43603684.87 35524897.24 40808028.25 35240084.08 41537231.13 40347123.13 31962393.44 37647215.75 36674621.28 37029370.84 51457404.06 39542484.13 47846470.94 49797832.06 39790228.79 53214841.19 49714427.4 39960025.13 42989063.54 41569790.83 PI(16:0_16:1) 1539615.923 1615611.465 1644493.585 927771.2031 1701229 795312.2419 763417.4535 943626.9149 981219.2237 1433402.414 941578.7655 409859.526 865497.0564 271579.6554 954385.554 809074.7649 456375.7284 901834.7127 33499.1166 1198364.303 1118336.155 791505.7574 1122592.019 735560.2744 1478340.8 651417.1857 318864.9232 675846.6488 631511.0223 895326.2582 788277.8125 678543.5421 918810.7878 1021914.385 1175316.007 466848.1088 1100448.995 1992063.909 1448148.317 2623598.207 663541.8483 311003.8807 1155999.797 1105590.327 1190546.019 535662.8977 708781.4371 676217.7031 909211.2633 794621.8715 PI(16:0_18:1) 26614859.04 31126121.86 29281216.13 17955658.64 29705112.47 15380061.04 12692292.63 17865910.34 19503599.59 26896378.61 13786201.75 5315657.019 10845385.57 3759205.497 15335632.98 14003190.47 6917155.199 16584913.82 229876.4695 23325108.78 20560763.49 14246318.62 19724308.42 13430963.78 26148366.78 8416969.192 5058232.304 9348127.96 7518285.744 14536262.53 13465402.46 11437477.31 14728763.62 18892097.19 21493930.26 7287046.586 21239727.41 33334619.2 23114221.98 41811064.93 11619781.42 5989765.998 18013100.94 17181971.19 21869420.46 12380086.21 13279127.28 16450530.07 19539644.3 19627203 PI(16:0_20:3)_A 1152855.636 2166801.13 1519295.356 1156470.125 1642153.671 977791.4738 1318883.527 1356365.227 1697658.73 1566010.068 1748155.056 820448.6058 911925.8105 458913.6535 1485325.149 1102964.9 728882.1729 1342094.228 40619.25997 1486088.209 1463419.445 1477928.043 1286487.92 1080314.613 1449596.077 1164739.971 688098.5086 1072616.238 813763.2234 1160415.112 1085476.859 811853.1492 1220085.93 1222628.974 1280087.324 425538.8775 1429387.369 1247664.014 951316.0185 1829652.223 836914.8164 687833.8049 886669.5522 959053.8061 1066377.595 760648.0437 918262.2276 1019688.753 1013291.906 793610.1809 PI(16:0_20:3)_B 1573654 2087957 1772578 1272143 1612180 1512239 922313 1103163 2082486 1480135 1923571 1161477 1609995 661224 1837409 1366985 928197 1620111 35694.9 1599624 1932941 1199437 1619221 1321988 1950684 1454540 1108203 1405319 1411484 1413797 1316951 1167444 1513298 1280624 1355485 356949 1169443 1306710 1126186 1576479 1282566 686227 1237661 1378303 1135314 940433 1235742 1237791 1092675 1132802 PI(16:0_22:6) 1844414.042 2790838.104 2066814.08 1290465.013 2003361.111 1113927.211 1471497.383 1334327.531 1478872.866 1921105.633 1453462.995 728889.6312 838546.8266 415008.1659 1076079.727 913075.302 721067.2899 1177866.375 20267.51518 1381104.481 1669811.676 1472564.944 1576361.105 1071351.093 2030580.086 789070.5913 682433.614 752880.5376 663841.9859 856771.1407 913306.497 1070905.64 934183.1494 1053029.614 1374651.557 850853.1044 2381817.337 2931874.243 2007594.45 3940762.101 1881580.074 1189601.161 1814674.039 2148015.263 2053369.925 1564909.044 2497217.577 1985657.917 1892374.897 1655478.747 PI(16:1_18:1) 4430871.865 5240239.012 4032168.955 2531091.742 3812301.084 3640371.232 2971707.824 3614257.426 4304209.994 3974262.743 3865866.938 2671587.807 3233434.408 1267248.186 4313380.734 3659538.782 2506833.687 3684741.213 53483.28287 4574910.341 4666646.457 3847168.803 4029972.194 3150189.662 4796731.783 3555092.669 2571393.996 3329652.743 2955501.211 3842487.626 3867872.546 3120921.007 3493838.549 3729673.974 4828270.89 855866.9888 2687028.535 3348724.519 2615040.964 4295533.338 2806458.245 1624452.657 3083291.576 3024934.641 2784515.634 2375627.133 2998375.416 2313837.715 2557091.49 2017740.378 PI(17:0_18:1) 6607165 6695799 7278003 3960550 6599626 2067937 2560015 4496718 4999534 8326165 3023876 1116944 1323510 467259 2267458 1608409 1387968 2694847 46725.9 4648990 3164443 2169149 3620778 3368050 5943977 1429775 631013 1894980 1151296 1979412 2094007 1565635 2763588 2402100 3235065 885965 4397859 4877686 4035927 6741871 1633745 1176509 2348117 3306079 2993468 1949742 1590928 3032376 2915061 2459129 PI(17:0_20:4) 2500802.431 5547886.816 3517212.639 2843209.032 3772919.458 2753007.611 3885044.263 3414433.766 4772606.967 3682272.658 5784531.25 3022173.364 2540455.166 1439041.452 3320600.767 2219076.277 2033428.689 2515585.018 36514.10639 2718615.036 3727943.316 4372717.221 3530024.014 3253684.994 3614745.301 3729305.99 2350292.307 2715908.051 2632873.792 2473961.217 2342371.16 1719188.356 2022948.574 1907257.327 2264548.245 815795.761 3006054.161 2292849.69 1902277.651 2799332.878 3258416.063 2645628.701 2144379.256 2503213.42 1977976.635 1739522.968 2995174.706 2043295.252 1830769.099 1260483.468 PI(18:0_18:0) 2571317.083 2524236.141 1967458.959 1125470.467 2238379.423 1368801.754 767631.4074 1207210.926 1305463.571 1883669.454 781649.14 248929.5954 499967.9106 78002.12418 554431.7043 702926.5313 289610.3109 609143.9335 19776.54899 1009086.759 1981823.944 777528.2256 1387096.857 1223626.521 1891836.062 386358.3708 158106.9959 299601.5031 275433.6875 576419.291 731748.9125 647848.0887 472437.9446 811798.4961 822127.8514 156642.1193 925681.1901 1614627.079 1141873.463 3735526.812 480463.4106 202053.8703 664940.4024 558384.6133 612273.4977 645856.9317 367715.7192 505449.8073 774156.0157 1300181.077 PI(18:0_18:1) 35958325.23 37958831.94 41774128.12 29290317.48 40155091.03 22778486.69 16845110.72 27507945.87 26876276.15 33240395.07 14504876.36 6631057.095 14843280.94 4738659.998 17381294.98 17096959.11 8579072.191 21414699.21 224497.2084 26028960.35 28334437.86 15226231.13 27784790.97 20232517.28 33504286.57 9093511.739 5895967.537 11808599.31 8894455.976 16825911.27 16698596.31 15129980.84 18669794.31 24718430.25 22478470.81 6959192.412 21817810.96 40145305.48 28427717.1 49167964.7 10547441.45 6030781.487 18406725.92 18287756.25 18234817.04 14377757.37 11887695.39 18807755.38 22413234.24 28418185.42 PI(18:0_18:2) 4706232.105 5454800.134 4911593.281 2990394.965 4069897.858 2610537.443 3405113.581 5454098.824 4994955.747 6792437.994 4844321.405 2955634.027 3739411.401 1386106.139 4518631.95 3659116.348 2629325.178 3951343.765 34675.32401 6879723.122 3606694.82 3032986.515 4012985.553 3250413.043 4873787.457 3081321.989 2538905.865 3726543.658 2470724.038 3167260.499 3697860.735 3020745.56 4288889.109 4110606.392 4031357.099 779356.135 3167857.002 3463020.873 2810081.392 4567143.527 2155459.764 1758814.698 2229237.679 2823858.683 2806270.05 1909390.296 1837091.322 3136733.609 2662689.396 2216550.824 PI(18:0_19:3) 4090163.43 5043253.943 4257433.861 2951992.661 3538499.155 2606092.887 3320183.258 4767223.333 4964814.963 6050058.189 4853550.157 3385557.042 3186331.707 1623416.368 3510472.41 3037233.972 2326032.68 3014402.02 52100.63564 4984632.506 3585782.818 2912640.28 3724759.417 3208103.497 4507534.453 3341111.917 2782037.87 3444116.072 2534616.713 2398928.84 3000813.499 2341947.494 3358177.83 2876774.744 3116891.107 750829.9762 2648135.148 2564149.599 2364740.862 3221819.122 2598183.414 1889262.278 1934968.77 2677621.069 2108641.286 1924763.731 1922985.214 2755290.418 2289778.713 1865891.783 PI(18:0_20:3)_A 10477366.25 14775575.32 12542973.95 10798010.29 11889534.76 12508073.72 10653422.01 13002589.8 14254829.1 11782630.4 15225968.16 11381707.88 13019981.18 6650184.566 12898255.33 10929746.65 9617982.334 11403546.61 117515.8329 11516506.34 13868769.45 10728132.2 13657387.24 10713646.02 13834679.48 12859564.1 10627851.25 12196883.79 12143116.92 10909642.72 11636723.27 9093718.214 11036153.92 9146114.011 9589659.093 2805068.738 10660857.25 11787396.56 8925925.915 11280140.49 11501247.6 7999009.755 9553400.897 11611357.29 7299923.205 8973590.584 10855721.41 10032799.48 9626699.259 7912306.392 PI(18:0_20:3)_B 4193429.345 5861577.354 4233752.04 3501716.285 3894603.135 4575766.355 3631273.476 4459746.157 5177135.462 4114992.072 5456676.371 3786593.211 3811134.993 2161650.514 3832125.034 3348844.732 2926578.953 4029929.854 44300.55606 4727654.151 5157922.188 3738442.359 4484506.549 3668173.093 4886493.054 4668080.893 3691093.372 3649176.702 4025156.578 3808670.015 4253704.977 3150206.687 3691021.347 3287890.45 4424497.793 890393.3593 2924839.547 3510871.252 2614260.123 3742787.232 3037239.605 1718393.253 2450397.621 3192206.727 2871329.599 2462914.539 2891945.989 2636234.378 2628567.187 2215653.589 PI(18:0_20:4) 142768294.1 194246066.5 148621986.3 125350596.9 135902195 159347976.9 141208375.5 142297436.1 174954194.6 155165194.3 184020871.8 150261705.1 144088081.4 93982797.21 158196484.6 128065516.9 118361701 144558061.6 3217899.243 153605267.3 180772662.4 167583719.4 162764590.1 133918812.4 181990448.2 163064346.2 149788463.2 146664503.6 163307052.5 138969588.4 139797866.4 127686631.7 133778056 126343128.9 149842783.9 44885676.02 107674447.8 122306255.7 99914389.66 127713112.8 134254169.2 96679869.91 105281557.9 132871188.1 106650307.2 103999209.7 143847362.6 114109978.9 111295791.2 89018680.68 PI(18:0_20:5) 12335770.73 20969717.64 13993503.82 10861252.72 13826291.37 11787926.42 12708936.49 12185526.27 17449204.04 14568104.14 15116501.44 17253151.31 9718306.989 9664466.402 12623745.16 8727015.088 8351437.325 10538347.38 809840.5824 11911554.69 15446387.74 14858681.22 13754655.64 10844537.89 15939228.54 11317291.39 15372972.54 9213293.09 8912226.71 10230706.7 20432972.68 6912755.523 8006988.121 8924075.649 11058007.55 2078900.908 7920295.171 7375884.187 14432640.76 9832017.079 15896556.63 7398837.818 5875957.524 13760155.53 6956572.426 12626732.2 8202802.417 6112637.807 6285231.419 4664877.846 PI(18:0_21:3) 1425602.357 2117869.796 1759861.759 1473227.84 1695055.681 1569927.872 1459931.249 1745575.216 1868349.912 1535929.394 1860194.63 1246572.719 1454015.109 881362.6292 1444494.37 1272683.551 1130766.627 1437177.746 27338.36461 1230610.984 1863842.673 1411521.064 1845909.637 1379307.977 1807219.964 1338013.122 1151361.506 1370553.816 1278723.053 1298631.401 1172046.48 1179165.209 1264623.806 1263837.02 1174995.137 329601.6203 948473.8004 1389544.25 1111172.316 1477609.589 1286831.985 810188.0657 1069955.621 1333449.834 910998.7992 1139164.434 1220162.547 1136966.096 1176079.521 981799.0122 PI(18:0_22:5) 16856805.22 24602639.18 17498702.04 14447372 16357614.43 15160004.2 15061717.3 15927053.11 19021863.02 17951657.23 18811561.63 10232453.06 12347240.37 6995352.45 15140727.02 12295704.82 9833686.696 14001053.99 283722.4176 15683564.59 19761730.9 15592764.12 18249835.52 13998004.23 20913235.49 12495026.05 10029871.95 12200913.76 12396065.98 12874775.87 13600315.09 11754142.62 13132954.88 12969290.65 15384577.3 5150774.682 16076536.12 18409625.28 13704931.39 20259962.09 17181409.79 11157959.19 15106022.37 17764388.76 16865695.96 14900421.54 18819968.7 17128435.74 16629905.25 14853603.9 PI(18:0_22:6) 9446172.694 14139797.06 9830339.109 7671096.708 9533393.776 6988702.998 7281084.364 7806597.191 9105130.947 9955574.972 7679003.463 3137387.371 4454247.36 2219181.237 6090073.62 5164136.094 3498892.04 6065528.218 118489.0803 7264602.217 9654567.288 8313530.907 9169142.856 6814807.308 11455589.9 4223554.965 3132266.742 4258494.438 3819254.031 5204905.189 5468111.77 5108358.451 5375895.383 5805785.653 7236283.449 3470604.034 11157711.3 13170226.73 9335086.797 15041568.66 7787735.393 5067322.78 8367036.906 9302582.485 10008200.44 8177257.518 10036531.93 10101459.81 10261440.88 10020190.8 PI(18:1_18:1) 69496898.89 82777082.86 69499402.38 47851933.64 60562910.08 54123681.78 46098806.86 54293657.96 60736184.07 60820973.55 55220288.03 26634442.3 46679746.5 19294088.7 61638745.29 57694024.39 33074206.54 66102613.07 1193215.435 80481697.9 63149367.22 50980899.89 58909640.5 41684746.31 63160247.8 37212456.42 25882638.64 43492537.01 35029374.85 58520223.9 59692298.38 50538383.9 63795788.59 75965133.92 78398777.96 20098797 50061038.02 66668801.55 46849825.12 62915154.54 36132731.29 20971281.56 51115637.12 51130346.81 63159978.05 46582799.53 40283610.47 56290842.09 62238246.3 57070691.17 PI(18:1_18:2) 6349918.905 8272843.353 6327786.85 4300171.642 6124612.428 5505549.42 4803826.627 5124419.632 6144723.403 6217547.503 6606750.896 3737853.554 4725486.249 2491419.113 5837028.366 4681599.295 3234146.787 5193601.869 85315.93757 6377418.998 6947385.672 5704330.794 5963219.615 4308555.483 6927959.786 5003881.483 3502394.167 4463762.833 4171434.193 5074515.952 5178609.616 3997750.885 4770158.863 4396904.018 5852585.21 1906667.36 5432625.565 6766826.184 4848150.934 7408700.476 5583557.729 3101012.157 4924499.301 5412833.334 5229037.88 4268553.266 5564711.845 4786557.654 4657761.194 3745760.615 PI(18:1_20:2) 145170544 195111744 139939424 118553560 125516496 144387536 126125712 137298432 151008080 142046048 164959040 114259384 124346064 67988112 136444896 112853792 84447824 130956328 1781349 132586832 166794368 118379416 148693104 114848416 157848208 147704768 108185712 121827344 130294032 114687392 130488544 92182864 119810664 112559048 133843080 32255372 97804392 119553256 93008376 123711136 103347296 60720484 86192664 104112944 94931576 82918936 91076856 89574512 86575688 74736560 PI(18:1_20:3) 14047815.83 22654519.45 14480890.88 11923672.82 12505668.86 16251071.66 16770622.83 14154604.9 20527870.34 14011057.36 27449887.81 17215397.14 17603867.78 9610463.38 22188347.16 19374783.29 13543919.64 19223267.8 809840.5824 20592792.85 18985449.68 19716840.12 15940776.35 12751117.32 15283788.78 23798913.5 15292461.59 18550300.11 16741892.25 18248742.34 20418587.83 13530964.02 18827899.28 17378209.34 18342610.35 5567951.702 13293675.51 11828303.01 9225751.72 12414718.45 15943351.81 10223693.77 12190125.29 13759984.62 14104635.53 12626732.2 13795180.26 14232560.94 13202720.57 9156769.909 PI(18:1_20:4)_A 43030839.32 56713429.49 39091189.64 31832258.38 34664243.46 46900548.45 41098711.46 40185208.85 51244018.21 42106435.04 65852371.43 47177741.08 46351023.41 30713091.79 55221883.62 45711249.14 37806296.09 50283311.74 1404906.316 53600088.03 56517423 51348416.94 46530270.66 36354211.06 49526468.84 56600493.48 48949851.1 48427258.72 53269114.53 45889108.43 49839087.16 39760875.48 47111843.03 45542982.83 53085260.26 14262065.2 27000984.3 31353844 25944420.87 32021292.07 42054282.53 26446834.54 32406104.31 39152615.45 30996601.52 33199963.26 41653096.31 33358480.72 31092670.99 24665542.78 PI(18:1_20:4)_B 833713.7964 1490627.923 686726.5591 491923.5195 906133.1502 816711.0722 896224.9089 809243.7453 949475.7189 976088.4496 1258911.235 670168.2861 816831.8781 540741.526 1193095.932 843325.7706 592061.9347 1078816.852 30534.23656 1126610.529 1239826.366 1037407.285 950923.8429 690827.5802 1173635.075 721839.0758 729556.4979 903085.4066 764082.6994 1059899.402 1027670.806 767273.2699 1077904.61 1006005.012 1189373.259 228898.4912 546241.8642 570047.3783 410756.4964 494533.1539 847438.6474 370482.1883 600639.3392 874203.6148 581983.9166 890064.4396 1050636.79 677426.9094 847258.5488 462015.7287 PI(18:1_20:5) 3048331.006 4958423.963 2961451.894 2352914.281 2688255.665 2892394.556 3550681.805 3192702.432 3508141.648 3247748.589 4244098.719 2431926.109 3161965.471 1734859.305 4084120.154 2847921.319 2164845.689 3307078.667 87826.03627 3619055.13 4093147.202 4325967.612 3206202.148 2903544.688 3922313.214 3393429.173 2516550.994 3199237.926 3012296.218 3364950.821 3042794.958 2887295.57 3320369.028 2864418.614 3441811.765 747461.4043 1708792.257 1625573.093 1254220.732 1684438.942 2971392.285 1979044.518 2031668.597 2464708.33 1913022.829 2070970.249 2881473.689 2037555.926 2051442.36 1528111.155 PI(18:1_22:5) 4591681.006 7233126.968 4286150.094 3268343.293 3688979.537 4140850.806 4625746.132 4018241.609 4652066.899 4048880.162 6774047.844 3684187.433 3763796.996 2424344.902 4388697.813 3867660.123 3047251.632 4666356.023 111717.0728 5027178.934 5446300.535 5532124.405 4640108.938 3333433.391 4850592.561 4716821.976 3838458.611 3692806.093 3861743.561 3746090.884 4324990.758 3814967.156 4299357.764 4249035.691 4908418.57 1954498.982 4382964.823 4517555.223 3214110.293 4376107.041 6200439.391 3602166.519 4274064.369 5229406.37 4587410.986 4938545.104 5574683.433 4982482.886 4649986.096 3529822.215 PI(18:1_22:6) 3912416.154 5733205.022 3583874.17 2704731.88 3016875.454 3213861.781 3880849.163 2927687.658 3550862.546 3196648.291 4785511.563 2656263.389 2710200.669 1758528.761 3454646.218 2936380.128 2458623.312 3524069.339 93800.81389 3882322.486 4066994.519 4196421.748 3487091.073 2635746.243 3534598.458 3073161.624 2685795.479 2687578.731 2617482.15 2948661.758 3125672.186 3145215.75 3364308.78 3348230.387 4096367.485 1775476.917 4039447.653 4041532.287 2871940.464 3841076.48 4778384.864 2811153.211 3661624.608 4246004.774 3761883.667 4216268.299 4667414.904 4140070.616 4070120.72 3188009.449 PI(20:4_16:0)_A 14262383.57 21156928.24 15445242 11130951.23 15501247.73 13075527.45 13156020.45 12838482.97 15327101.26 17288747.27 17122385.47 10188369.29 10643787.61 6160532.023 13186772.26 9795718.698 8423027.028 11944757.17 241058.4273 13909865.67 16543857.13 15141123.65 15513442.61 11449041.46 19109230.64 12868520.42 10175643.26 10830658.94 11522786.13 11110778.27 10868429.98 9642476.63 9680669.811 9749500.649 13171142.12 4644430.393 11348881.51 13438030.18 10401612.17 16729691.42 14806772.3 8898558.823 10418019.02 13133378 10440482.16 9652992.94 15538848.17 10055139.61 9517486.472 7406892.432 PI(20:4_16:0)_B 1786094 1291880 1487283 1532187 1995448 880408 2005635 1012413 1235634 1872850 1221984 874999 994761 683166 1122734 753759 751998 799326 47166.1 903455 1376645 1448124 1253971 1601887 1254391 730926 1057106 926102 513626 731221 954452 742929 1077738 689176 1117474 471661 674834 991737 666598 1840585 1164025 926224 1400482 591250 914258 1600313 1678461 564509 650944 588950 PI(O-18:0_20:4) 6450035.329 19825245.62 10636368.03 11789289.8 13831430.65 8272008.035 14523262.22 12496364.33 18910334.99 11382152.93 20718309.05 13654232.28 11575455.85 5520797.87 15526913.38 12853317.77 10828468.16 9663540.683 102843.4541 11559720.31 11119726.96 12891001.9 12462772.01 12459577.42 10896221 17110515.4 8809931.672 12848856.46 10058287.24 12318906.7 13550332.51 6420376.951 11676331.47 8363447.739 7888969.271 2596580.892 12017083.51 8706630.396 7578796.721 10459759.22 11370917.18 9059229.385 8613950.396 9560732.819 10885404.64 7350313.723 10925235.74 9462305.603 8398613.226 5908371.037 PS(18:0_18:2) 516964.9665 1069671.709 796768.1361 605719.7157 1002896.439 571827.8865 948511.983 902378.4272 1119891.908 907244.1171 1312693.754 710190.873 675565.9612 129537.7341 943765.2399 904718.1117 476614.0619 776525.8871 66299.97491 980625.0133 825505.5049 872530.6346 831743.655 893048.1014 753103.5045 994890.0598 364379.4513 811624.1518 471110.8803 757226.9382 705939.3426 496891.9489 657582.5275 715065.2037 683913.4838 58205.37705 816126.1281 683138.2997 393500.106 767432.2541 809118.3608 685399.9277 668080.2137 607279.1698 640644.1705 604766.5906 598209.7876 743999.0454 684912.0669 612579.7602 PS(18:0_20:3) 12954358 42665880 22014950 18485500 34268148 8260778 32636568 21826286 39096272 24176456 46063460 22202696 15644431 1298075 20522016 19201632 12821782 17340346 95028 16940748 27690692 28132246 22322052 29504480 22810498 31435732 11348008 23559914 14654648 20412042 17175458 13532769 13793017 18786090 13284763 950280 29286894 21402950 13330216 27521574 26454032 24672336 19227390 19014322 16794444 15791532 21852552 20713110 19839794 13989867 PS(18:0_22:5) 59822575.51 72206334.46 57123132.59 31198483.32 50122052.96 48169233.12 54028004.59 62737651.57 72382800.79 77802318.76 82603986.77 56729112.35 48278521.82 7093366.466 51251794.19 42223169.26 40030525.96 42997721.8 268590.4332 63610713.14 61193294.54 47987777.62 54946670.58 50775762.49 65160812.88 57269178.81 43675066.49 49816275.33 45777206.56 35871951.31 44127575.33 35470890.57 41265003.4 40676085.31 46035134.58 2115666.894 47594350.02 42475294.93 34623946.18 54273686.25 45300015.67 33252113.15 33165277.8 47927833.26 26638531.96 35311996.7 41320342.6 41810173.58 40193510.59 32722065.7 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Lipid Class Lipid subclass Formula Annot. DeltaMass [ppm] Calc. MW m/z RT [min] Reference Ion Annotation Source Ctrl_31 Ctrl_32 Ctrl_34 Ctrl_35 Ctrl_36 C_D1_31 C_D1_32 C_D1_34 C_D1_35 C_D1_36 C_D3_31 C_D3_32 C_D3_34 C_D3_35 C_D3_36 C_D5_31 C_D5_32 C_D5_34 C_D5_35 C_D5_36 PC_D1_31 PC_D1_32 PC_D1_34 PC_D1_35 PC_D1_36 PC_D3_31 PC_D3_32 PC_D3_34 PC_D3_35 PC_D3_36 PC_D5_31 PC_D5_32 PC_D5_34 PC_D5_35 PC_D5_36 PE_D1_31 PE_D1_32 PE_D1_34 PE_D1_35 PE_D1_36 PE_D3_31 PE_D3_32 PE_D3_34 PE_D3_35 PE_D3_36 PE_D5_31 PE_D5_32 PE_D5_34 PE_D5_35 PE_D5_36 CL(72:4) Cardiolipin C81 H150 O17 P2 -3.18 1457.03019 1456.02292 21.573 [M-H]-1 LipidSearch;Skyline 9090917 10184512 9247276 1125431 8526547 7599218 5801480 7700139 7455472 7768423 5976523 3747452 5681989 34471.2 5204380 7501523 5736081 4145446 34471.2 9958795 7238706 7037042 6562392 8490440 4794302 3094933 3158240 4838881 6785610 5334457 7671902 5385590 3382545 8405462 9309277 34471.2 3401645 7966036 2030253 8366951 1408838 953991 2515054 1502462 344712 1612407 1852302 2571846 2042683 3485805 GM1(d34:1) Gangliosides C71 H127 N3 O31 -0.61 1517.84443 1516.83715 9.146 [M-H]-1 LipidSearch 1190630.915 2056647.279 1916853.916 349808.1671 1212931.27 895004.6372 935720.2896 902237.4302 1437682.873 1358960.596 1393258.241 376994.5705 692051.1596 218999.4795 784705.892 606232.6954 509425.7642 635580.1817 62534.27568 1284142.91 1298853.606 568125.6325 925553.0321 1318331.926 1671881.196 571909.4416 275400.4633 475611.879 933607.428 767717.9931 646647.0899 734830.5524 478156.683 663727.3528 951444.731 373350.8755 749998.1381 586680.6058 320260.5601 1105899.947 568229.6102 364826.471 457774.9295 574525.7179 357816.4961 349421.4178 444045.9843 433321.1118 387543.9136 543449.2592 GM1(d40:1) Gangliosides C77 H139 N3 O31 -0.82 1601.93795 1600.93067 15.973 [M-H]-1 LipidSearch 557448.8527 962991.8485 847513.3657 269378.1044 455219.7236 430197.9175 445943.1707 525658.9623 554523.2174 565608.0224 677752.0829 325226.4175 444258.6277 172768.9566 358713.4943 337151.3835 369542.6438 372312.6348 21886.62273 434951.9293 672351.9383 303723.3289 545822.25 589890.8626 794982.6366 248306.3126 202101.507 214956.4984 400988.2422 410425.4592 324472.024 298299.8792 266673.8846 281743.7733 353776.561 258625.0459 465026.1604 477357.9305 347578.3827 720820.1736 533988.1938 381026.1289 431518.5159 475743.6902 285212.3822 466381.5157 415846.4252 400194.0493 379755.6034 445013.3807 GM1(d42:1) Gangliosides C79 H143 N3 O31 -0.9 1629.96908 1628.96181 17.408 [M-H]-1 LipidSearch 2385950.759 3755551.428 2957352.488 1177554.075 1596927.508 2180273.016 1653318.415 2136370.384 2255137.174 2436691.96 3228083.476 1624404.431 2037987.952 889117.7612 1924516.921 1683134.916 1563976.827 1706242.372 49160.15102 2201739.139 3040584.876 1607917.587 2289902.25 2047011.237 2750682.956 1429968.643 1024618.637 1083611.66 2033926.917 2021483.029 1799105.098 1341475.71 1468395.479 1368937.387 1985726.301 1035764.664 2285095.391 2051201.476 1491991.534 3239361.099 3447731.317 1877932.436 2438811.746 2753147.891 1637539.974 2804481.474 2530074.04 2302205.047 2312502.326 2570387.976 GM1(d42:2) Gangliosides C79 H141 N3 O31 -0.81 1627.95359 1626.94631 15.793 [M-H]-1 LipidSearch 1410849.321 2373629.577 2067182.699 811505.7412 1232575.688 1306755.573 1361368.049 1476111.57 1746317.03 1577046.721 1904819.063 1133460.422 1434926.973 798388.2244 1242530.478 1270404.369 1294474.053 1359233.373 80475.61993 1645619.727 1882401.895 997127.9209 1474542.901 1567479.791 2006435.792 841172.8068 716516.0041 826676.9452 1439527.285 1262138.822 1237331.928 1197908.107 1046583.434 1316457.35 1607687.924 604577.9829 930004.6526 877266.6172 813553.6098 1398686.83 970143.6267 756932.6196 948274.8789 1115307.509 547070.6786 1031143.833 965138.795 809217.7383 759397.6149 1125817.805 LBPA(18:0_18:1) Lysobisphosphatidic acid C42 H81 O10 P -0.04 776.55671 775.54943 15.301 [M-H]-1 LipidSearch 5615421.413 6594270.188 5043746.703 4627562.743 5058486.273 5099223.302 4699030.353 5197919.404 5607969.21 4381367.898 5019652.848 4303354.247 4987671.746 2482254.345 4899057.557 5054893.447 4463140.051 5426174.675 428466.8526 5585979.423 5797876.049 4737302.211 5322873.203 4370822.536 5532006.11 4539665.201 4485945.999 4346576.137 4462286.049 4465376.155 5415522.594 4897880.868 5236401.021 5241370.565 5185615.065 2785933.852 5515622.813 6789917.746 6332963.418 7775354.593 5036570.525 3781481.682 5383642.001 6104841.461 4855998.937 6564418.449 6667028.263 6018545.151 6797289.279 7369499.727 LBPA(18:0_20:4) Lysobisphosphatidic acid C44 H79 O10 P -0.05 798.54104 797.53377 13.489 [M-H]-1 LipidSearch 653882.3229 743243.3302 494491.6417 407247.5752 355132.8978 389033.3662 707882.7931 826976.7315 916707.0179 820890.4244 1204581.709 1400529.457 846931.8722 645400.9582 672496.7059 613541.8786 891967.2973 584653.6116 27872.05785 959946.5388 516878.0213 660232.6815 505979.8595 565623.8496 593206.3909 1085041.731 1112293.877 933417.5082 733855.6744 404760.7876 679893.373 588349.1449 826789.6461 581040.5852 498318.6905 98489.72046 262662.6174 138509.069 201611.2861 158953.743 329853.9432 355856.308 155701.2977 305588.3959 159580.97 255135.3173 252175.3523 276345.9174 225121.0277 132586.2687 LBPA(18:1_18:1) Lysobisphosphatidic acid C42 H79 O10 P -0.29 774.54086 773.53358 11.608 [M-H]-1 LipidSearch 6733603.514 10195130.71 6574813.749 4799670.704 6469840.397 7448809.235 7934750.266 6937901.767 9489914.992 6407684.001 11907451.13 6282997.354 7885438.433 3881124.457 11394558.05 9129643.238 5331556.535 9485354.549 512534.5682 11742102.12 7336619.902 7982530.403 6632272.795 5052511.739 5808145.313 8259293.214 4782471.139 7846212.912 6567615.548 9393508.919 9172002.347 7387346.275 9215034.518 10350226.61 9502654.867 3789538.56 4851042.775 4368215.379 2714897.574 4052210.022 3602828.449 2318547.181 4471614.718 3702291.699 7881444.808 3620637.397 3584468.253 5771221.691 5086354.759 4643288.469 LPI(18:0) Lysophosphosphoinositiol C27 H53 O12 P -0.38 600.32724 599.31996 4.53 [M-H]-1 LipidSearch 4193650.674 4008427.987 3254873.903 1439076.113 2679779.414 1796084.457 2049032.826 1980513.82 2575611.407 3251067.678 1663588.239 681441.2044 1196908.425 428943.653 1475590.019 1804188.457 895644.6508 1752377.091 33810.0769 2693131.326 3229330.232 1826735.261 1896841.503 2407787.262 3595485.075 952595.5985 579972.2611 961509.7475 1343137.259 1715971.459 1835437.668 1320392.573 1474683.005 2045107.338 2650562.068 561741.3651 2060484.554 2231724.113 1905622.98 5071322.074 987481.1476 589453.452 1358966.072 1218198.84 1260160.287 987936.3852 1198692.305 1180893.873 1289238.124 1868154.225 PE(16:0_18:0) Phosphoethanolamine C39 H78 N O8 P 0.04 719.54653 718.53925 16.587 [M-H]-1 LipidSearch 1456542.11 2146105.09 1507724.643 1407887.85 1528483.006 1561194.716 1554914.54 1581623.769 1875156.788 1576457.333 1529928.457 1155384.749 1215383.262 1031813.9 1302913.174 1355157.1 1029281.731 1529314.472 1001731.207 1533264.842 1880819.18 1480587.369 1583485.197 1641883.33 1564315.27 1084686.488 890193.9445 1027825.483 982798.5564 1209759.862 1241569.276 1456876.534 1167500.112 1535415.547 1336186.931 3434944.979 4030848.279 4838025.144 4505045.577 7926457.857 2820886.284 2397025.428 3320087.42 2984742.5 3549817.268 3318042.971 2637543.523 3049723.482 3614587.028 4328043.888 PE(17:0_18:1) Phosphoethanolamine C40 H78 N O8 P -0.32 731.54627 730.53899 15.941 [M-H]-1 LipidSearch 2280363.784 2477386.542 2273599.532 1941706.232 2246308.151 1893136.651 1645760.436 1926096.296 2069614.907 1871059.547 1835061.228 1393425.364 1595876.036 1432787.164 1646669.174 1207639.919 1111751.294 1577497.581 1100194.106 1719532.809 2137814.639 1774681.1 1967946.366 1847401.851 2191343.005 1430462.031 1443349.903 1382889.193 1465833.007 1469991.203 1179447.81 1231388.551 1233990.991 1454031.383 1658762.255 5452815.76 4853929.168 6627462.496 6531254.068 7528318.28 5655326.992 4277301.714 5887800.365 5647338.367 5182922.951 5528700.934 5504701.976 4720218.852 4955965.543 5640583.333 PE(18:0_20:3) Phosphoethanolamine C43 H80 N O8 P -0.29 769.56193 768.55465 16.025 [M-H]-1 LipidSearch 4935265.498 5889600.426 5632598.806 4864586.956 5313926.814 3951871.381 3972894.711 4429067.545 4756367.206 4341312.525 4128507.722 3333261.588 3250975.053 3276761.985 2967704.831 1976424.365 2324040.047 2925078.034 2013654.449 2826790.022 4734205.422 3978473.207 4546005.252 4399559.135 4929065.095 2973530.546 3326840.917 2906176.498 3249330.312 2519307.238 2067253.273 2614508.683 1995847.917 2493383.899 2831181.48 11982868.31 10346349.53 13613525.34 14056102.38 15304166.16 13946219.16 10565079.72 13446489.06 13181417.75 10580048.06 11092807.61 12206724.83 9761650.883 9511220.348 9957227.092 PE(18:0_22:4) Phosphoethanolamine C45 H82 N O8 P -0.16 795.57768 794.5704 16.542 [M-H]-1 LipidSearch 1598393.23 2358681.699 1481111.335 1368336.478 1394854.243 1428465.525 1806521.026 1373376.4 1616452.883 1246082.962 1914466.225 2029917.791 1233452.8 31651.24551 1137453.05 1023197.396 1314522.495 1206261.256 766292.3551 1086028.836 1758227.816 1705535.374 1428836.296 1458191.746 1255202.383 1619942.304 1708933.903 1156254.283 1310155.863 943555.5748 959267.0282 1516864.074 768664.1295 907371.9638 1043932.506 4704939.875 4533945.305 4089742.195 3971209.54 4175883.518 5965096.207 4992230.889 4264427.873 4459951.845 3566154.236 4726097.653 5179286.722 2969519.341 3047725.103 2970954.275 PE(18:1_20:1) Phosphoethanolamine C43 H82 N O8 P -0.34 771.57755 770.57024 16.737 [M-H]-1 LipidSearch 1028204.605 1318505.341 1182716.979 1132936.576 1034465.911 1263542.641 1287477.346 1299694.942 1365730.643 1114430.304 1306028.078 2202283.537 2025236.007 1851061.814 1801386.621 1686430.928 1567804.345 1897364.402 1351997.277 1864135.008 1089404.964 1191647.469 1273279.951 1234944.1 1180059.372 1567695.495 2065696.682 1698046.829 1919465.634 1713143.116 1632067.012 1747656.893 1839473.786 2338965.423 1961288.027 4117718.466 3737002.864 4414908.235 4700551.97 4701054.22 4739157.586 4492052.873 5215406.988 5673358.23 5293451.924 6298475.642 5816298.677 5473852.615 6512173.71 6526880.693 PE(18:1_22:5) Phosphoethanolamine C45 H78 N O8 P -0.22 791.54633 790.53906 13.189 [M-H]-1 LipidSearch 2541453.966 3578635.459 2567422.331 2453955.342 2355207.511 3228895.294 2809096.62 2653503.903 3877934.636 2758824.696 3448791.285 4296771.506 3616632.5 3755518.656 4028178.972 2581913.465 2866815.977 3576639.742 2783370.206 3483467.639 3712080.571 3025408.192 3183542.906 2754819.053 2973196.709 4530655.956 4377026.437 3720284.454 4813676.814 3351180.413 3251818.359 3452969.885 3022395.643 3657442.352 3682044.727 6617293.14 6528818.461 7209378.741 6206512.118 7771352.734 9177418.85 6307614.243 6327460.548 9131872.564 6590154.918 6691769.572 7766961.306 5587690.926 6126967.491 4735030.388 PE(34:3) Phosphoethanolamine C39 H72 N O8 P -0.05 713.49952 712.49224 10.845 [M-H]-1 LipidSearch 346840.7985 329361.6548 252506.5825 198402.3147 240563.8422 334731.8272 192325.5886 252900.3513 271698.1905 268818.9898 321408.1797 272405.6577 287986.5392 233148.8618 367393.6747 282036.7152 179944.7946 338820.6761 210417.3967 411313.0032 357690.0967 260467.2643 270367.5997 207957.0231 316175.7837 405202.7742 319659.8137 303485.8458 297741.7227 348848.3288 352193.8819 270425.5259 294969.2845 355563.0252 417634.5227 1407505.009 1126933.98 1478788.891 1191811.551 1711570.324 1463529.682 800030.2895 1096116.22 1285128.566 1457862.784 992795.2796 949550.7314 963773.8192 1008500.181 907915.241 PE(O-16:1_16:1) Phosphoethanolamine-Alkyl C37 H72 N O7 P -0.08 673.50459 672.49731 13.774 [M-H]-1 LipidSearch 1664623.018 1581339.221 1157118.733 836460.9039 1119927.219 1579368.62 991605.0878 1031956.372 1076220.117 1040294.117 1458521.621 1986086.699 1722748.582 1235986.577 2043662.447 2278136.429 1454971.935 2070381.213 1302831.834 2602938.441 1499996.754 939137.2555 1026492.568 716513.5908 1157837.887 2396492.375 1991071.713 1728564.677 1687774.075 1977230.654 2635908.605 1657975.796 2233689.154 2307050.903 2623203.143 11376568.77 8011919.105 9246292.94 6687156.832 9631313.303 11154902.42 5956089.91 10000775.22 10786194.24 15890028.36 10612867.68 7976929.395 10864589.78 12096023.41 11220867.02 PE(O-16:1_18:2) Phosphoethanolamine-Alkyl C39 H74 N O7 P -0.13 699.5202 698.51292 14.406 [M-H]-1 LipidSearch 1852988.789 4235782.524 2331002.228 2245618.889 3156249.735 2090998.039 3073543.977 2350423.506 3268981.659 2348743.286 5607839.337 3739160.687 3091511.09 1875430.177 4906085.108 6025114.725 2677093.817 4507878.935 3413196.694 5531868.887 2698712.028 2665810.712 2118977.249 1983489.48 1811380.666 5718588.566 2251656.765 3291447.197 1888878.647 4271461.955 5008643.372 3053240.894 3933950.189 4784742.35 3579154.718 24782419.72 24856117.01 15027129.64 12314187.8 19462429.74 23160492.77 19759393.7 18115638.35 16918970.86 32899704.15 17526614.93 15689594.97 20236837.21 21405249.29 17645360.61 PE(O-16:1_20:4) Phosphoethanolamine-Alkyl C41 H74 N O7 P -0.2 723.52015 722.51287 14.046 [M-H]-1 LipidSearch 49945261.33 55757560.32 42764881.81 32843184.66 39468621.53 47318136.41 34567731.4 36406059.41 39722576 37275594.93 51641480.02 36834173.7 39044111.44 30037152.06 44721427.63 43091290.1 31147922.8 46222019.05 29330521.25 51756917.55 51075654.81 33684625.41 38466956.07 29001250.9 43642665.21 47456554.43 35972081.92 37472853.52 36008764.35 39041108.24 47292544.18 39134287.72 40904409.38 41531591.24 49966940.01 63943145.82 58313754.72 65547174.53 51779865.15 69549128.59 62209037.52 35759492.17 47064065.17 58917889.34 60408638.24 47590388.62 51065037.57 47789114.76 49277678.05 43569352.46 PE(O-16:1_20:5) Phosphoethanolamine-Alkyl C41 H72 N O7 P -0.19 721.5045 720.49722 12.445 [M-H]-1 LipidSearch 11886471.47 13245354.87 10716232.34 8049884.624 10209244.86 12003509.61 8388930.309 9501444.989 10351000.58 10471683.75 13384001.04 7008624.423 10225880.77 6903208.696 13004636.85 11023782.41 6685941.872 10873795.04 7623995.406 13264167.6 12463795.4 9615297.645 10204262.42 7090602.263 11651028.27 10523738.18 7131526.888 9781681.424 8166198.431 11288413.9 11796035.04 8820692.524 10947358.88 10467436.22 12714556.95 15417978 13016222.84 15767581.44 12141739.48 16674519.54 15050962.1 8489067.347 13032413.07 14311875.68 15853365.37 11130382.55 11848473.11 12355240.8 12384683.31 10885406.07 PE(O-16:1_22:4) Phosphoethanolamine-Alkyl C43 H78 N O7 P -0.06 751.55155 750.54427 15.635 [M-H]-1 LipidSearch 6772485.36 7592957.556 4858221.915 4071341.291 4392229.193 6805371.909 5476961.929 4607387.36 5067198.05 3823807.702 7568549.587 9158854.99 6963970.032 6530396.191 5545323.543 6257806.952 6502151.375 7255740.717 3776642.468 6951075.359 8057593.111 5217141.54 4699966.132 3685547.829 4610219.011 8367763.577 8735291.621 5768428.998 5937759.091 5067192.59 6236384.333 6583958.921 5736200.181 5694053.598 6652175.661 6717196.573 5029113.633 4974080.016 5475391.21 6479127.702 5251451.772 3809734.258 3537399.021 4291053.874 3179942.03 4514850.587 4500888.566 2768768.282 3168465.62 3155492.612 PE(O-16:1_22:5) Phosphoethanolamine-Alkyl C43 H76 N O7 P -0.17 749.53582 748.52854 14.275 [M-H]-1 LipidSearch 50233748.58 78583351.51 54151313.24 46866487.63 57557480.9 54738143.44 52454521.58 50697510.97 65512549.84 49876997.84 82145189.44 55767412.12 53150809.98 44467708.88 61760437.42 58025416.3 43658756.42 63810333.08 46395543.25 67524573.56 64015695.88 49724372.73 50638540.95 43038350.07 50267466.86 75512764.77 48850536.1 54254206.16 48496827.82 50532265.28 60219090.11 47016559.73 51974870.1 57521983.52 58915084.27 73124017.36 69624350.85 61938635.51 51288856.52 70145140.45 67826373.13 45236639.27 47612374.22 58076175.05 64918091.58 49661454.45 51806618.24 48389193.26 50552719.99 43435639.55 PE(O-16:1_22:6) Phosphoethanolamine-Alkyl C43 H74 N O7 P 0.01 747.5203 746.51303 13.472 [M-H]-1 LipidSearch 96023736.72 110844779.8 88816706.32 66923868.25 77978681.57 79723344.68 77862579.58 90985705.18 99668036.01 106798695.8 117089416.6 80779313.83 79177849.72 76361635.92 85986368.18 78434060.8 65009450.18 88391673.01 76667962.69 117982000 93981483.8 70631711.32 79328097.87 66340635.98 89903108.39 93834159.46 76526602.16 81562482 69022127.07 64315831.86 82740201.06 69426118.62 81301454.44 80243460.92 90403840.86 97073437.78 76892149.2 73831259.77 67466073.84 84834038.4 76806539.4 51816071.81 56189378.56 73220979.23 72607460.98 60431364.97 59218826.49 66141693.84 64128384.47 54524366.08 PE(O-18:1_18:1) Phosphoethanolamine-Alkyl C41 H80 N O7 P -0.26 729.56705 728.55978 17.547 [M-H]-1 LipidSearch 17715948.24 18547494.12 15873144.53 12875568.15 13615891.4 19733829.37 10180043.57 14226601.25 15459571.07 13330753.68 19515161.15 24996921.21 24717164.35 18068046.18 24603243.62 26681950.01 21092604.7 26593671.76 13768749.35 29758806.04 16323503.26 13730774.58 14513636.03 11136321.04 13886406.95 25259639.67 25560541.81 20935859.56 21786826.31 22891622.76 26830957.97 19707684.63 25521155.73 17710885.97 29468235.46 42619890.24 41555747.1 47662323.31 40409797.86 47025030.94 70584018.24 51909054.58 68591831.81 66574930.54 75441885.07 76643392.29 66054299.19 67487292.57 77108158.68 71368779.66 PE(O-18:1_18:2) Phosphoethanolamine-Alkyl C41 H78 N O7 P -0.19 727.55145 726.54417 16.458 [M-H]-1 LipidSearch 3113657.667 3243958.623 2746059.969 2225668.47 2597972.871 3185812.403 2583640.611 2558112.266 2552913.028 2287280.461 3291370.1 3727936.257 3887805.798 2677704.732 3888290.938 4192573.149 3064409.228 3897213.629 2296509.771 4584947.019 2746261.623 2407099.635 2449856.317 2019934.435 2396111.573 3804166.539 3488506.304 3109020.955 3023707.118 3601683.533 4090620.329 2999641.088 3759231.708 3888915.784 4551783.086 11438386.19 10058521.52 11526121.42 10031845.87 11729920.95 14427781.55 11158689.41 15360561.26 14041802 15581930.83 17433389.67 13211629.89 13655529.03 15666083.77 16169727.27 PE(O-18:1_20:1) Phosphoethanolamine-Alkyl C43 H84 N O7 P -0.2 757.59839 756.59111 18.663 [M-H]-1 LipidSearch 3528844.884 4299386.718 3824062.144 3309153.063 3220127.246 4623555.845 3874149.903 4057882.571 4285303.654 3432090.515 5167325.306 7112318.311 7410862.668 5767039.463 6894356.932 6540580.804 6404397.565 6541130.784 3168076.158 7058663.139 3864658.966 3873978.745 3754625.141 3488699.547 3612678.392 5674782.674 6404036.82 6084532.587 6601566.529 6259928.024 6560946.876 5615568.45 6698193.764 6606911.602 6891344.11 3605197.279 4479966.343 4930084.301 4377418.42 5088556.724 5684914.706 4511772.442 6604891.055 5932535.464 7129888.182 7404948.786 6013437.321 6467280.094 6788528.845 6988314.792 PE(O-18:1_20:4) Phosphoethanolamine-Alkyl C43 H78 N O7 P -0.22 751.55143 750.54416 16.238 [M-H]-1 LipidSearch 38427798.59 42059334.39 34046529.55 30420938.35 29587408.36 36917377.6 32084423.24 31398819.44 31643477.21 25662012.23 37422454.49 35689947.89 36571759.95 29903147.9 34578805.67 31592621.44 31521565.96 33669343.95 20695694.84 34965718.81 33647498.99 30090249.5 30424887.62 26102796.04 29922638.05 34093586.87 33748772.61 29635630.22 31120097.91 29195126.17 34500934.11 29160013.59 30983563.62 29645380.01 34903835.59 47585232.06 39093315 45797868.42 42736517.12 45993775.38 59747041.36 43937583.09 56902745.3 55357697.02 47887971.62 58710380.32 52263037.81 45978117.53 47021400.26 47493711.66 PE(O-18:1_20:5) Phosphoethanolamine-Alkyl C43 H76 N O7 P -0.42 749.53562 748.52835 15.077 [M-H]-1 LipidSearch 7824749.313 9558298.928 7762174.018 6778044.357 7711575.901 8291986.283 6632225.08 7579718.284 7775531.166 6714239.622 8843850.693 6354447.801 8713950.622 6663950.803 8953143.723 7885680.764 6092416.875 7721615.315 5194358.807 8688803.151 8093380.626 6131009.414 7351369.232 5502550.752 7567250.921 7382768.169 6313151.804 7430459.26 6705394.286 7660474.895 8638672.594 6542859.912 8288267.968 7091861.933 7664205.581 9472112.228 7274952.693 9555951.536 7879089.633 9731546.716 11787855.74 7661363.036 10696829.89 11055371.43 9500236.417 10880264.52 10307943.74 9665586.355 9959393.151 9362711.398 PE(O-18:1_22:4) Phosphoethanolamine-Alkyl C45 H82 N O7 P -0.15 779.58277 778.5755 17.304 [M-H]-1 LipidSearch 3203085.233 3944505.819 2753409.792 2525339.085 2363335.205 3812065.671 3362222.344 2670257.278 3195582.883 2381073.279 4408383.687 5629354.755 3845299.731 3663363.764 3401863.254 3167792.349 3985623.219 3573885.91 2090567.251 3323721.235 3380003.088 3148078.02 2927194.045 2610272.299 2596142.876 4702941.144 5519206.649 3513589.362 4572325.607 2864125.347 3461330.531 3280544.758 2859562.488 2686230.656 3488252.873 3157073.352 3494328.64 3335087.18 3249070.605 3437480.639 4599280.286 3592898.971 3355619.289 3750952.365 3052250.284 4143777.657 4847046.619 2866357.889 3375079.268 2912238.604 PE(O-18:1_22:5) Phosphoethanolamine-Alkyl C45 H80 N O7 P -0.09 777.56717 776.5599 16.372 [M-H]-1 LipidSearch 24797911.11 30508984.91 24069609.14 23119803.81 21290036.68 26855289.05 24930403 24292442.54 25998539.25 20180101.33 32070366.03 33068753.39 30999592.4 28113704.22 27189021.45 23661850.7 26181880.06 24978820.47 16561388.67 24022791.81 24412064.2 23406809.67 23500565.63 21762624.46 21433129.07 28877407.13 29754052.92 25158164.34 28784853.2 22351745.55 24470500.61 20480536.69 22767405.09 20755245.69 24192974.89 27604673.88 23874443.17 26867937.83 26936266.41 26956281.69 36634008.73 27488511.76 32317843.6 33053362.53 26688181.3 35719387.22 33539908.46 26775034.43 29060971.5 28837318.49 PE(O-18:1_22:6) Phosphoethanolamine-Alkyl C45 H78 N O7 P -0.2 775.55144 774.54417 15.85 [M-H]-1 LipidSearch 40930557.02 50869179.27 39245254.4 36619677.68 35920924.04 46591839.03 42141953.75 42892297.89 47630837.25 34798652.47 55176462.87 51243454.08 51099194.6 46125044.26 45634193.22 40972588.88 43133432.3 42629206.15 28065647.14 42429259.74 44645974.98 40752544.85 41461614.35 37771098.17 40517000.63 46719631.91 47788209.45 42189644.94 45487809.14 38039253.51 43603684.87 35524897.24 40808028.25 35240084.08 41537231.13 40347123.13 31962393.44 37647215.75 36674621.28 37029370.84 51457404.06 39542484.13 47846470.94 49797832.06 39790228.79 53214841.19 49714427.4 39960025.13 42989063.54 41569790.83 PI(16:0_16:1) Phosphoinositol C41 H77 O13 P -0.14 808.51006 807.50279 10.115 [M-H]-1 LipidSearch 1539615.923 1615611.465 1644493.585 927771.2031 1701229 795312.2419 763417.4535 943626.9149 981219.2237 1433402.414 941578.7655 409859.526 865497.0564 271579.6554 954385.554 809074.7649 456375.7284 901834.7127 33499.1166 1198364.303 1118336.155 791505.7574 1122592.019 735560.2744 1478340.8 651417.1857 318864.9232 675846.6488 631511.0223 895326.2582 788277.8125 678543.5421 918810.7878 1021914.385 1175316.007 466848.1088 1100448.995 1992063.909 1448148.317 2623598.207 663541.8483 311003.8807 1155999.797 1105590.327 1190546.019 535662.8977 708781.4371 676217.7031 909211.2633 794621.8715 PI(16:0_18:1) Phosphoinositol C43 H81 O13 P -0.17 836.54134 835.53406 12.335 [M-H]-1 LipidSearch 26614859.04 31126121.86 29281216.13 17955658.64 29705112.47 15380061.04 12692292.63 17865910.34 19503599.59 26896378.61 13786201.75 5315657.019 10845385.57 3759205.497 15335632.98 14003190.47 6917155.199 16584913.82 229876.4695 23325108.78 20560763.49 14246318.62 19724308.42 13430963.78 26148366.78 8416969.192 5058232.304 9348127.96 7518285.744 14536262.53 13465402.46 11437477.31 14728763.62 18892097.19 21493930.26 7287046.586 21239727.41 33334619.2 23114221.98 41811064.93 11619781.42 5989765.998 18013100.94 17181971.19 21869420.46 12380086.21 13279127.28 16450530.07 19539644.3 19627203 PI(16:0_20:3)_A Phosphoinositol C45 H81 O13 P -0.01 860.54147 859.5342 11.625 [M-H]-1 LipidSearch 1152855.636 2166801.13 1519295.356 1156470.125 1642153.671 977791.4738 1318883.527 1356365.227 1697658.73 1566010.068 1748155.056 820448.6058 911925.8105 458913.6535 1485325.149 1102964.9 728882.1729 1342094.228 40619.25997 1486088.209 1463419.445 1477928.043 1286487.92 1080314.613 1449596.077 1164739.971 688098.5086 1072616.238 813763.2234 1160415.112 1085476.859 811853.1492 1220085.93 1222628.974 1280087.324 425538.8775 1429387.369 1247664.014 951316.0185 1829652.223 836914.8164 687833.8049 886669.5522 959053.8061 1066377.595 760648.0437 918262.2276 1019688.753 1013291.906 793610.1809 PI(16:0_20:3)_B Phosphoinositol C45 H81 O13 P 0.06 860.54153 859.53425 12.269 [M-H]-1 LipidSearch;Skyline 1573654 2087957 1772578 1272143 1612180 1512239 922313 1103163 2082486 1480135 1923571 1161477 1609995 661224 1837409 1366985 928197 1620111 35694.9 1599624 1932941 1199437 1619221 1321988 1950684 1454540 1108203 1405319 1411484 1413797 1316951 1167444 1513298 1280624 1355485 356949 1169443 1306710 1126186 1576479 1282566 686227 1237661 1378303 1135314 940433 1235742 1237791 1092675 1132802 PI(16:0_22:6) Phosphoinositol C47 H79 O13 P 0.1 882.52592 881.51864 10.068 [M-H]-1 LipidSearch 1844414.042 2790838.104 2066814.08 1290465.013 2003361.111 1113927.211 1471497.383 1334327.531 1478872.866 1921105.633 1453462.995 728889.6312 838546.8266 415008.1659 1076079.727 913075.302 721067.2899 1177866.375 20267.51518 1381104.481 1669811.676 1472564.944 1576361.105 1071351.093 2030580.086 789070.5913 682433.614 752880.5376 663841.9859 856771.1407 913306.497 1070905.64 934183.1494 1053029.614 1374651.557 850853.1044 2381817.337 2931874.243 2007594.45 3940762.101 1881580.074 1189601.161 1814674.039 2148015.263 2053369.925 1564909.044 2497217.577 1985657.917 1892374.897 1655478.747 PI(16:1_18:1) Phosphoinositol C43 H79 O13 P -0.29 834.52559 833.51831 10.603 [M-H]-1 LipidSearch 4430871.865 5240239.012 4032168.955 2531091.742 3812301.084 3640371.232 2971707.824 3614257.426 4304209.994 3974262.743 3865866.938 2671587.807 3233434.408 1267248.186 4313380.734 3659538.782 2506833.687 3684741.213 53483.28287 4574910.341 4666646.457 3847168.803 4029972.194 3150189.662 4796731.783 3555092.669 2571393.996 3329652.743 2955501.211 3842487.626 3867872.546 3120921.007 3493838.549 3729673.974 4828270.89 855866.9888 2687028.535 3348724.519 2615040.964 4295533.338 2806458.245 1624452.657 3083291.576 3024934.641 2784515.634 2375627.133 2998375.416 2313837.715 2557091.49 2017740.378 PI(17:0_18:1) Phosphoinositol C44 H83 O13 P -0.58 850.55663 849.54936 13.473 [M-H]-1 LipidSearch;Skyline 6607165 6695799 7278003 3960550 6599626 2067937 2560015 4496718 4999534 8326165 3023876 1116944 1323510 467259 2267458 1608409 1387968 2694847 46725.9 4648990 3164443 2169149 3620778 3368050 5943977 1429775 631013 1894980 1151296 1979412 2094007 1565635 2763588 2402100 3235065 885965 4397859 4877686 4035927 6741871 1633745 1176509 2348117 3306079 2993468 1949742 1590928 3032376 2915061 2459129 PI(17:0_20:4) Phosphoinositol C46 H81 O13 P -0.01 872.54147 871.53419 11.639 [M-H]-1 LipidSearch 2500802.431 5547886.816 3517212.639 2843209.032 3772919.458 2753007.611 3885044.263 3414433.766 4772606.967 3682272.658 5784531.25 3022173.364 2540455.166 1439041.452 3320600.767 2219076.277 2033428.689 2515585.018 36514.10639 2718615.036 3727943.316 4372717.221 3530024.014 3253684.994 3614745.301 3729305.99 2350292.307 2715908.051 2632873.792 2473961.217 2342371.16 1719188.356 2022948.574 1907257.327 2264548.245 815795.761 3006054.161 2292849.69 1902277.651 2799332.878 3258416.063 2645628.701 2144379.256 2503213.42 1977976.635 1739522.968 2995174.706 2043295.252 1830769.099 1260483.468 PI(18:0_18:0) Phosphoinositol C45 H87 O13 P 0.01 866.58844 865.58116 16.445 [M-H]-1 LipidSearch 2571317.083 2524236.141 1967458.959 1125470.467 2238379.423 1368801.754 767631.4074 1207210.926 1305463.571 1883669.454 781649.14 248929.5954 499967.9106 78002.12418 554431.7043 702926.5313 289610.3109 609143.9335 19776.54899 1009086.759 1981823.944 777528.2256 1387096.857 1223626.521 1891836.062 386358.3708 158106.9959 299601.5031 275433.6875 576419.291 731748.9125 647848.0887 472437.9446 811798.4961 822127.8514 156642.1193 925681.1901 1614627.079 1141873.463 3735526.812 480463.4106 202053.8703 664940.4024 558384.6133 612273.4977 645856.9317 367715.7192 505449.8073 774156.0157 1300181.077 PI(18:0_18:1) Phosphoinositol C45 H85 O13 P -0.26 864.57256 863.56528 14.866 [M-H]-1 LipidSearch 35958325.23 37958831.94 41774128.12 29290317.48 40155091.03 22778486.69 16845110.72 27507945.87 26876276.15 33240395.07 14504876.36 6631057.095 14843280.94 4738659.998 17381294.98 17096959.11 8579072.191 21414699.21 224497.2084 26028960.35 28334437.86 15226231.13 27784790.97 20232517.28 33504286.57 9093511.739 5895967.537 11808599.31 8894455.976 16825911.27 16698596.31 15129980.84 18669794.31 24718430.25 22478470.81 6959192.412 21817810.96 40145305.48 28427717.1 49167964.7 10547441.45 6030781.487 18406725.92 18287756.25 18234817.04 14377757.37 11887695.39 18807755.38 22413234.24 28418185.42 PI(18:0_18:2) Phosphoinositol C45 H83 O13 P -0.24 862.55692 861.54964 13.494 [M-H]-1 LipidSearch 4706232.105 5454800.134 4911593.281 2990394.965 4069897.858 2610537.443 3405113.581 5454098.824 4994955.747 6792437.994 4844321.405 2955634.027 3739411.401 1386106.139 4518631.95 3659116.348 2629325.178 3951343.765 34675.32401 6879723.122 3606694.82 3032986.515 4012985.553 3250413.043 4873787.457 3081321.989 2538905.865 3726543.658 2470724.038 3167260.499 3697860.735 3020745.56 4288889.109 4110606.392 4031357.099 779356.135 3167857.002 3463020.873 2810081.392 4567143.527 2155459.764 1758814.698 2229237.679 2823858.683 2806270.05 1909390.296 1837091.322 3136733.609 2662689.396 2216550.824 PI(18:0_19:3) Phosphoinositol C46 H83 O13 P -0.29 874.55687 873.54959 13.454 [M-H]-1 LipidSearch 4090163.43 5043253.943 4257433.861 2951992.661 3538499.155 2606092.887 3320183.258 4767223.333 4964814.963 6050058.189 4853550.157 3385557.042 3186331.707 1623416.368 3510472.41 3037233.972 2326032.68 3014402.02 52100.63564 4984632.506 3585782.818 2912640.28 3724759.417 3208103.497 4507534.453 3341111.917 2782037.87 3444116.072 2534616.713 2398928.84 3000813.499 2341947.494 3358177.83 2876774.744 3116891.107 750829.9762 2648135.148 2564149.599 2364740.862 3221819.122 2598183.414 1889262.278 1934968.77 2677621.069 2108641.286 1924763.731 1922985.214 2755290.418 2289778.713 1865891.783 PI(18:0_20:3)_A Phosphoinositol C47 H85 O13 P -0.23 888.57258 887.5653 14.621 [M-H]-1 LipidSearch 10477366.25 14775575.32 12542973.95 10798010.29 11889534.76 12508073.72 10653422.01 13002589.8 14254829.1 11782630.4 15225968.16 11381707.88 13019981.18 6650184.566 12898255.33 10929746.65 9617982.334 11403546.61 117515.8329 11516506.34 13868769.45 10728132.2 13657387.24 10713646.02 13834679.48 12859564.1 10627851.25 12196883.79 12143116.92 10909642.72 11636723.27 9093718.214 11036153.92 9146114.011 9589659.093 2805068.738 10660857.25 11787396.56 8925925.915 11280140.49 11501247.6 7999009.755 9553400.897 11611357.29 7299923.205 8973590.584 10855721.41 10032799.48 9626699.259 7912306.392 PI(18:0_20:3)_B Phosphoinositol C47 H85 O13 P -0.04 888.57274 887.56546 14.106 [M-H]-1 LipidSearch 4193429.345 5861577.354 4233752.04 3501716.285 3894603.135 4575766.355 3631273.476 4459746.157 5177135.462 4114992.072 5456676.371 3786593.211 3811134.993 2161650.514 3832125.034 3348844.732 2926578.953 4029929.854 44300.55606 4727654.151 5157922.188 3738442.359 4484506.549 3668173.093 4886493.054 4668080.893 3691093.372 3649176.702 4025156.578 3808670.015 4253704.977 3150206.687 3691021.347 3287890.45 4424497.793 890393.3593 2924839.547 3510871.252 2614260.123 3742787.232 3037239.605 1718393.253 2450397.621 3192206.727 2871329.599 2462914.539 2891945.989 2636234.378 2628567.187 2215653.589 PI(18:0_20:4) Phosphoinositol C47 H83 O13 P -0.06 886.55707 885.54981 12.907 [M-H]-1 LipidSearch 142768294.1 194246066.5 148621986.3 125350596.9 135902195 159347976.9 141208375.5 142297436.1 174954194.6 155165194.3 184020871.8 150261705.1 144088081.4 93982797.21 158196484.6 128065516.9 118361701 144558061.6 3217899.243 153605267.3 180772662.4 167583719.4 162764590.1 133918812.4 181990448.2 163064346.2 149788463.2 146664503.6 163307052.5 138969588.4 139797866.4 127686631.7 133778056 126343128.9 149842783.9 44885676.02 107674447.8 122306255.7 99914389.66 127713112.8 134254169.2 96679869.91 105281557.9 132871188.1 106650307.2 103999209.7 143847362.6 114109978.9 111295791.2 89018680.68 PI(18:0_20:5) Phosphoinositol C47 H81 O13 P 0.59 884.542 883.53472 11.481 [M-H]-1 LipidSearch 12335770.73 20969717.64 13993503.82 10861252.72 13826291.37 11787926.42 12708936.49 12185526.27 17449204.04 14568104.14 15116501.44 17253151.31 9718306.989 9664466.402 12623745.16 8727015.088 8351437.325 10538347.38 809840.5824 11911554.69 15446387.74 14858681.22 13754655.64 10844537.89 15939228.54 11317291.39 15372972.54 9213293.09 8912226.71 10230706.7 20432972.68 6912755.523 8006988.121 8924075.649 11058007.55 2078900.908 7920295.171 7375884.187 14432640.76 9832017.079 15896556.63 7398837.818 5875957.524 13760155.53 6956572.426 12626732.2 8202802.417 6112637.807 6285231.419 4664877.846 PI(18:0_21:3) Phosphoinositol C48 H87 O13 P 0.06 902.58849 901.58121 15.103 [M-H]-1 LipidSearch 1425602.357 2117869.796 1759861.759 1473227.84 1695055.681 1569927.872 1459931.249 1745575.216 1868349.912 1535929.394 1860194.63 1246572.719 1454015.109 881362.6292 1444494.37 1272683.551 1130766.627 1437177.746 27338.36461 1230610.984 1863842.673 1411521.064 1845909.637 1379307.977 1807219.964 1338013.122 1151361.506 1370553.816 1278723.053 1298631.401 1172046.48 1179165.209 1264623.806 1263837.02 1174995.137 329601.6203 948473.8004 1389544.25 1111172.316 1477609.589 1286831.985 810188.0657 1069955.621 1333449.834 910998.7992 1139164.434 1220162.547 1136966.096 1176079.521 981799.0122 PI(18:0_22:5) Phosphoinositol C49 H85 O13 P -0.1 912.57269 911.56541 13.09 [M-H]-1 LipidSearch 16856805.22 24602639.18 17498702.04 14447372 16357614.43 15160004.2 15061717.3 15927053.11 19021863.02 17951657.23 18811561.63 10232453.06 12347240.37 6995352.45 15140727.02 12295704.82 9833686.696 14001053.99 283722.4176 15683564.59 19761730.9 15592764.12 18249835.52 13998004.23 20913235.49 12495026.05 10029871.95 12200913.76 12396065.98 12874775.87 13600315.09 11754142.62 13132954.88 12969290.65 15384577.3 5150774.682 16076536.12 18409625.28 13704931.39 20259962.09 17181409.79 11157959.19 15106022.37 17764388.76 16865695.96 14900421.54 18819968.7 17128435.74 16629905.25 14853603.9 PI(18:0_22:6) Phosphoinositol C49 H83 O13 P -0.22 910.55693 909.54965 12.433 [M-H]-1 LipidSearch 9446172.694 14139797.06 9830339.109 7671096.708 9533393.776 6988702.998 7281084.364 7806597.191 9105130.947 9955574.972 7679003.463 3137387.371 4454247.36 2219181.237 6090073.62 5164136.094 3498892.04 6065528.218 118489.0803 7264602.217 9654567.288 8313530.907 9169142.856 6814807.308 11455589.9 4223554.965 3132266.742 4258494.438 3819254.031 5204905.189 5468111.77 5108358.451 5375895.383 5805785.653 7236283.449 3470604.034 11157711.3 13170226.73 9335086.797 15041568.66 7787735.393 5067322.78 8367036.906 9302582.485 10008200.44 8177257.518 10036531.93 10101459.81 10261440.88 10020190.8 PI(18:1_18:1) Phosphoinositol C45 H83 O13 P -0.05 862.55709 861.54981 12.597 [M-H]-1 LipidSearch 69496898.89 82777082.86 69499402.38 47851933.64 60562910.08 54123681.78 46098806.86 54293657.96 60736184.07 60820973.55 55220288.03 26634442.3 46679746.5 19294088.7 61638745.29 57694024.39 33074206.54 66102613.07 1193215.435 80481697.9 63149367.22 50980899.89 58909640.5 41684746.31 63160247.8 37212456.42 25882638.64 43492537.01 35029374.85 58520223.9 59692298.38 50538383.9 63795788.59 75965133.92 78398777.96 20098797 50061038.02 66668801.55 46849825.12 62915154.54 36132731.29 20971281.56 51115637.12 51130346.81 63159978.05 46582799.53 40283610.47 56290842.09 62238246.3 57070691.17 PI(18:1_18:2) Phosphoinositol C45 H81 O13 P -0.03 860.54145 859.53418 11.301 [M-H]-1 LipidSearch 6349918.905 8272843.353 6327786.85 4300171.642 6124612.428 5505549.42 4803826.627 5124419.632 6144723.403 6217547.503 6606750.896 3737853.554 4725486.249 2491419.113 5837028.366 4681599.295 3234146.787 5193601.869 85315.93757 6377418.998 6947385.672 5704330.794 5963219.615 4308555.483 6927959.786 5003881.483 3502394.167 4463762.833 4171434.193 5074515.952 5178609.616 3997750.885 4770158.863 4396904.018 5852585.21 1906667.36 5432625.565 6766826.184 4848150.934 7408700.476 5583557.729 3101012.157 4924499.301 5412833.334 5229037.88 4268553.266 5564711.845 4786557.654 4657761.194 3745760.615 PI(18:1_20:2) Phosphoinositol C47 H85 O13 P 0.02 888.5728 887.56552 13.839 [M-H]-1 LipidSearch;Skyline 145170544 195111744 139939424 118553560 125516496 144387536 126125712 137298432 151008080 142046048 164959040 114259384 124346064 67988112 136444896 112853792 84447824 130956328 1781349 132586832 166794368 118379416 148693104 114848416 157848208 147704768 108185712 121827344 130294032 114687392 130488544 92182864 119810664 112559048 133843080 32255372 97804392 119553256 93008376 123711136 103347296 60720484 86192664 104112944 94931576 82918936 91076856 89574512 86575688 74736560 PI(18:1_20:3) Phosphoinositol C47 H83 O13 P -0.3 886.55686 885.54959 11.573 [M-H]-1 LipidSearch 14047815.83 22654519.45 14480890.88 11923672.82 12505668.86 16251071.66 16770622.83 14154604.9 20527870.34 14011057.36 27449887.81 17215397.14 17603867.78 9610463.38 22188347.16 19374783.29 13543919.64 19223267.8 809840.5824 20592792.85 18985449.68 19716840.12 15940776.35 12751117.32 15283788.78 23798913.5 15292461.59 18550300.11 16741892.25 18248742.34 20418587.83 13530964.02 18827899.28 17378209.34 18342610.35 5567951.702 13293675.51 11828303.01 9225751.72 12414718.45 15943351.81 10223693.77 12190125.29 13759984.62 14104635.53 12626732.2 13795180.26 14232560.94 13202720.57 9156769.909 PI(18:1_20:4)_A Phosphoinositol C47 H81 O13 P 0 884.54148 883.53421 10.702 [M-H]-1 LipidSearch 43030839.32 56713429.49 39091189.64 31832258.38 34664243.46 46900548.45 41098711.46 40185208.85 51244018.21 42106435.04 65852371.43 47177741.08 46351023.41 30713091.79 55221883.62 45711249.14 37806296.09 50283311.74 1404906.316 53600088.03 56517423 51348416.94 46530270.66 36354211.06 49526468.84 56600493.48 48949851.1 48427258.72 53269114.53 45889108.43 49839087.16 39760875.48 47111843.03 45542982.83 53085260.26 14262065.2 27000984.3 31353844 25944420.87 32021292.07 42054282.53 26446834.54 32406104.31 39152615.45 30996601.52 33199963.26 41653096.31 33358480.72 31092670.99 24665542.78 PI(18:1_20:4)_B Phosphoinositol C47 H81 O13 P -0.23 884.54127 883.534 10.191 [M-H]-1 LipidSearch 833713.7964 1490627.923 686726.5591 491923.5195 906133.1502 816711.0722 896224.9089 809243.7453 949475.7189 976088.4496 1258911.235 670168.2861 816831.8781 540741.526 1193095.932 843325.7706 592061.9347 1078816.852 30534.23656 1126610.529 1239826.366 1037407.285 950923.8429 690827.5802 1173635.075 721839.0758 729556.4979 903085.4066 764082.6994 1059899.402 1027670.806 767273.2699 1077904.61 1006005.012 1189373.259 228898.4912 546241.8642 570047.3783 410756.4964 494533.1539 847438.6474 370482.1883 600639.3392 874203.6148 581983.9166 890064.4396 1050636.79 677426.9094 847258.5488 462015.7287 PI(18:1_20:5) Phosphoinositol C47 H79 O13 P -0.09 882.52575 881.51848 9.439 [M-H]-1 LipidSearch 3048331.006 4958423.963 2961451.894 2352914.281 2688255.665 2892394.556 3550681.805 3192702.432 3508141.648 3247748.589 4244098.719 2431926.109 3161965.471 1734859.305 4084120.154 2847921.319 2164845.689 3307078.667 87826.03627 3619055.13 4093147.202 4325967.612 3206202.148 2903544.688 3922313.214 3393429.173 2516550.994 3199237.926 3012296.218 3364950.821 3042794.958 2887295.57 3320369.028 2864418.614 3441811.765 747461.4043 1708792.257 1625573.093 1254220.732 1684438.942 2971392.285 1979044.518 2031668.597 2464708.33 1913022.829 2070970.249 2881473.689 2037555.926 2051442.36 1528111.155 PI(18:1_22:5) Phosphoinositol C49 H83 O13 P -0.14 910.557 909.54972 10.867 [M-H]-1 LipidSearch 4591681.006 7233126.968 4286150.094 3268343.293 3688979.537 4140850.806 4625746.132 4018241.609 4652066.899 4048880.162 6774047.844 3684187.433 3763796.996 2424344.902 4388697.813 3867660.123 3047251.632 4666356.023 111717.0728 5027178.934 5446300.535 5532124.405 4640108.938 3333433.391 4850592.561 4716821.976 3838458.611 3692806.093 3861743.561 3746090.884 4324990.758 3814967.156 4299357.764 4249035.691 4908418.57 1954498.982 4382964.823 4517555.223 3214110.293 4376107.041 6200439.391 3602166.519 4274064.369 5229406.37 4587410.986 4938545.104 5574683.433 4982482.886 4649986.096 3529822.215 PI(18:1_22:6) Phosphoinositol C49 H81 O13 P -0.15 908.54135 907.53407 10.276 [M-H]-1 LipidSearch 3912416.154 5733205.022 3583874.17 2704731.88 3016875.454 3213861.781 3880849.163 2927687.658 3550862.546 3196648.291 4785511.563 2656263.389 2710200.669 1758528.761 3454646.218 2936380.128 2458623.312 3524069.339 93800.81389 3882322.486 4066994.519 4196421.748 3487091.073 2635746.243 3534598.458 3073161.624 2685795.479 2687578.731 2617482.15 2948661.758 3125672.186 3145215.75 3364308.78 3348230.387 4096367.485 1775476.917 4039447.653 4041532.287 2871940.464 3841076.48 4778384.864 2811153.211 3661624.608 4246004.774 3761883.667 4216268.299 4667414.904 4140070.616 4070120.72 3188009.449 PI(20:4_16:0)_A Phosphoinositol C45 H79 O13 P 0.04 858.52587 857.51859 10.477 [M-H]-1 LipidSearch 14262383.57 21156928.24 15445242 11130951.23 15501247.73 13075527.45 13156020.45 12838482.97 15327101.26 17288747.27 17122385.47 10188369.29 10643787.61 6160532.023 13186772.26 9795718.698 8423027.028 11944757.17 241058.4273 13909865.67 16543857.13 15141123.65 15513442.61 11449041.46 19109230.64 12868520.42 10175643.26 10830658.94 11522786.13 11110778.27 10868429.98 9642476.63 9680669.811 9749500.649 13171142.12 4644430.393 11348881.51 13438030.18 10401612.17 16729691.42 14806772.3 8898558.823 10418019.02 13133378 10440482.16 9652992.94 15538848.17 10055139.61 9517486.472 7406892.432 PI(20:4_16:0)_B Phosphoinositol C45 H79 O13 P 0.08 858.5259 857.51862 10.814 [M-H]-1 LipidSearch;Skyline 1786094 1291880 1487283 1532187 1995448 880408 2005635 1012413 1235634 1872850 1221984 874999 994761 683166 1122734 753759 751998 799326 47166.1 903455 1376645 1448124 1253971 1601887 1254391 730926 1057106 926102 513626 731221 954452 742929 1077738 689176 1117474 471661 674834 991737 666598 1840585 1164025 926224 1400482 591250 914258 1600313 1678461 564509 650944 588950 PI(O-18:0_20:4) Phosphoinositol C47 H85 O12 P -0.19 872.5777 871.57042 14.382 [M-H]-1 LipidSearch 6450035.329 19825245.62 10636368.03 11789289.8 13831430.65 8272008.035 14523262.22 12496364.33 18910334.99 11382152.93 20718309.05 13654232.28 11575455.85 5520797.87 15526913.38 12853317.77 10828468.16 9663540.683 102843.4541 11559720.31 11119726.96 12891001.9 12462772.01 12459577.42 10896221 17110515.4 8809931.672 12848856.46 10058287.24 12318906.7 13550332.51 6420376.951 11676331.47 8363447.739 7888969.271 2596580.892 12017083.51 8706630.396 7578796.721 10459759.22 11370917.18 9059229.385 8613950.396 9560732.819 10885404.64 7350313.723 10925235.74 9462305.603 8398613.226 5908371.037 PS(18:0_18:2) Phosphoserine C42 H78 N O10 P -0.4 787.53602 786.52874 14.41 [M-H]-1 LipidSearch 516964.9665 1069671.709 796768.1361 605719.7157 1002896.439 571827.8865 948511.983 902378.4272 1119891.908 907244.1171 1312693.754 710190.873 675565.9612 129537.7341 943765.2399 904718.1117 476614.0619 776525.8871 66299.97491 980625.0133 825505.5049 872530.6346 831743.655 893048.1014 753103.5045 994890.0598 364379.4513 811624.1518 471110.8803 757226.9382 705939.3426 496891.9489 657582.5275 715065.2037 683913.4838 58205.37705 816126.1281 683138.2997 393500.106 767432.2541 809118.3608 685399.9277 668080.2137 607279.1698 640644.1705 604766.5906 598209.7876 743999.0454 684912.0669 612579.7602 PS(18:0_20:3) Phosphoserine C44 H80 N O10 P -0.13 813.55188 812.5446 14.397 [M-H]-1 LipidSearch;Skyline 12954358 42665880 22014950 18485500 34268148 8260778 32636568 21826286 39096272 24176456 46063460 22202696 15644431 1298075 20522016 19201632 12821782 17340346 95028 16940748 27690692 28132246 22322052 29504480 22810498 31435732 11348008 23559914 14654648 20412042 17175458 13532769 13793017 18786090 13284763 950280 29286894 21402950 13330216 27521574 26454032 24672336 19227390 19014322 16794444 15791532 21852552 20713110 19839794 13989867 PS(18:0_22:5) Phosphoserine C46 H80 N O10 P -0.28 837.55175 836.54447 13.452 [M-H]-1 LipidSearch 59822575.51 72206334.46 57123132.59 31198483.32 50122052.96 48169233.12 54028004.59 62737651.57 72382800.79 77802318.76 82603986.77 56729112.35 48278521.82 7093366.466 51251794.19 42223169.26 40030525.96 42997721.8 268590.4332 63610713.14 61193294.54 47987777.62 54946670.58 50775762.49 65160812.88 57269178.81 43675066.49 49816275.33 45777206.56 35871951.31 44127575.33 35470890.57 41265003.4 40676085.31 46035134.58 2115666.894 47594350.02 42475294.93 34623946.18 54273686.25 45300015.67 33252113.15 33165277.8 47927833.26 26638531.96 35311996.7 41320342.6 41810173.58 40193510.59 32722065.7 METABOLITES_END #END