#METABOLOMICS WORKBENCH akoeberle_20240527_051547 DATATRACK_ID:4863 STUDY_ID:ST003245 ANALYSIS_ID:AN005315 PROJECT_ID:PR002015 VERSION 1 CREATED_ON May 27, 2024, 9:55 am #PROJECT PR:PROJECT_TITLE Zeb1-mediated control of the phospholipid PUFA/MUFA ratio in PR:PROJECT_TITLE EMT/plasticity-associated 1 cancer cell ferroptosis PR:PROJECT_SUMMARY Therapy resistance and metastasis, the most fatal steps in cancer, are often PR:PROJECT_SUMMARY triggered by a (partial) activation of the epithelial-mesenchymal-transition PR:PROJECT_SUMMARY (EMT)-program. A mesenchymal phenotype predisposes to ferroptosis, a cell death PR:PROJECT_SUMMARY pathway exerted by an iron and oxygen-radical mediated peroxidation of PR:PROJECT_SUMMARY phospholipids containing polyunsaturated fatty acids (PUFAs). We here describe PR:PROJECT_SUMMARY that various forms of EMT-activation increase ferroptosis-susceptibility in PR:PROJECT_SUMMARY cancer cells, which depends on the EMT-transcription factor Zeb1. To further PR:PROJECT_SUMMARY investigate the underlying mechanisms of an EMT/Zeb1-coupled ferroptosis PR:PROJECT_SUMMARY sensitivity, we analyzed key determinants of ferroptotic cell death, focusing on PR:PROJECT_SUMMARY the proportion and (per)oxidation of fatty acid species in phospholipid PR:PROJECT_SUMMARY subclasses. Using ultra-performance liquid chromatography-tandem mass PR:PROJECT_SUMMARY spectrometry (UPLC-MS/MS), we demonstrate that GPX4 inhibition in human breast PR:PROJECT_SUMMARY cancer MDA-MB-231 cells (Zeb1high) led to a rapid (per)oxidation of PR:PROJECT_SUMMARY PUFA-containing phospholipids (oxPL), which is absent in cells depleted of Zeb1 PR:PROJECT_SUMMARY (shZeb1). Mechanistically, Zeb1 increases the ratio of phospholipids containing PR:PROJECT_SUMMARY pro-ferroptotic PUFAs over cyto-protective monounsaturated fatty acids (MUFAs) PR:PROJECT_SUMMARY in MDA-MB-231 cells, tumor-derived pancreatic cancer KPC cells as well as mice PR:PROJECT_SUMMARY tumor allografts via the modulation of crucial lipogenic enzymes. PR:INSTITUTE University of Innsbruck PR:DEPARTMENT Michael Popp Institute PR:LAST_NAME Koeberle PR:FIRST_NAME Andreas PR:ADDRESS Mitterweg 24, Innsbruck, Tyrol, 6020, Austria PR:EMAIL Andreas.Koeberle@uibk.ac.at PR:PHONE +43 512 507 57903 PR:FUNDING_SOURCE the Austrian Science Fund (FWF) (P 36299), the German Research Council (GRK PR:FUNDING_SOURCE 1715), and the Phospholipid Research Center (Grant Number PR:FUNDING_SOURCE AKO‐2019‐070/2‐1, AKO-2O22-100/2-2), the Tyrolean Science Fund (TWF) PR:FUNDING_SOURCE (F.33467/7-2021). PR:PUBLICATIONS in revision PR:CONTRIBUTORS Zhigang Rao, Jie Zhang, André Gollowitzer, Leonhard Bereuter, Andreas Koeberle #STUDY ST:STUDY_TITLE Exploration of Zeb1-dependent changes in the lipidome of MDA-MB-231 cells ST:STUDY_SUMMARY Human breast cancer MDA-MB-231 wildtype (WT) cells and the stably transduced ST:STUDY_SUMMARY MDA-MB-231 shZeb1 (stable Zeb1 knockdown) and shCtrl cell lines (control cell ST:STUDY_SUMMARY line for the stable Zeb1 knockdown) (Spaderna et al. 2008, DOI: ST:STUDY_SUMMARY 10.1158/0008-5472.CAN-07-5682) were analyzed for their phospholipid profile by ST:STUDY_SUMMARY UPLC-MS/MS. ST:INSTITUTE University of Innsbruck ST:DEPARTMENT Michael Popp Institute ST:LAST_NAME Koeberle ST:FIRST_NAME Andreas ST:ADDRESS Mitterweg 24, Innsbruck, Tyrol, 6020, Austria ST:EMAIL Andreas.Koeberle@uibk.ac.at ST:PHONE +43 512 507 57903 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__MDA_MB_231_WT_1 Sample source:MDA-MB-231 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__MDA_MB_231_WT_2 Sample source:MDA-MB-231 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__MDA_MB_231_WT_3 Sample source:MDA-MB-231 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_WT_DMSO_1 Sample source:MDA-MB-231 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_WT_DMSO_10 Sample source:MDA-MB-231 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_WT_DMSO_19 Sample source:MDA-MB-231 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#1_1 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#1_2 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#1_3 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#4_1 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#4_2 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#4_3 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-Ctrl_DMSO_4 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-Ctrl_DMSO_13 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-Ctrl_DMSO_22 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#13_1 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#13_2 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#13_3 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#F10_1 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#F10_2 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#F10_3 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PE; RAW_FILE_NAME(Raw file name for PC)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PC; RAW_FILE_NAME(Raw file name for PI)=190905_AG_Brabletz_ZEB1_EMT_Lipidomics_PI SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-ZEB1_DMSO_7 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-ZEB1_DMSO_16 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-ZEB1_DMSO_25 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=210514_MDA_ZEB1_PE_dil_1_10_std_1ul_JZ_PE_MRM_002; RAW_FILE_NAME(Raw file name for PC)=210514_MDA_ZEB1_PC_dil_1_10_std_1ul_JZ_PC_MRM_002; RAW_FILE_NAME(Raw file name for PI)=210514_MDA_ZEB1_PI_dil_1_10_std_1ul_JZ_PI_MRM_002 SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PE_5 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PE_6 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PE_7 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PE_8 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PE_1 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PE_2 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PE_3 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PE_4 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=220408_MDA shCtrl shZEB1_PE; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PC_5 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PC_6 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PC_7 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shCtrl_1_10_PC_8 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PC_1 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PC_2 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PC_3 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 220408_MDA shZEB1_1_10_PC_4 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=220408_MDA shZEB1 shCtrl_PC; RAW_FILE_NAME(Raw file name for PI)=- SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shCTRL_5 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shCTRL_6 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shCTRL_7 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shCTRL_8 Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shZEB1_1 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shZEB1_2 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shZEB1_3 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI SUBJECT_SAMPLE_FACTORS - 230309_shCTRL shZEB1_Rao_shZEB1_4 Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown RAW_FILE_NAME(Raw file name for PE)=-; RAW_FILE_NAME(Raw file name for PC)=-; RAW_FILE_NAME(Raw file name for PI)=230309_shCTRL shZEB1_Rao_1-10 dilu_PI #COLLECTION CO:COLLECTION_SUMMARY Cultured cells were washed, trypsinized, counted and flash-frozen in liquid N2 CO:COLLECTION_SUMMARY and stored at -80°C. CO:SAMPLE_TYPE BCa cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Human breast cancer MDA-MB-231 wildtype (WT) cells and the stably transduced TR:TREATMENT_SUMMARY MDA-MB-231 shZeb1 (stable Zeb1 knockdown) and shCtrl cell lines (control cell TR:TREATMENT_SUMMARY line for the stable Zeb1 knockdown) (Spaderna et al. 2008, DOI: TR:TREATMENT_SUMMARY 10.1158/0008-5472.CAN-07-5682) were collected, snap-frozen and stored at -80°C. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Phospholipids were extracted from cell pellets by successive addition of PBS pH SP:SAMPLEPREP_SUMMARY 7.4, methanol, chloroform, and saline to a final ratio of 14:34:35:17. SP:SAMPLEPREP_SUMMARY Evaporation of the organic layer yielded a lipid film that was dissolved in SP:SAMPLEPREP_SUMMARY methanol and subjected to UPLC-MS/MS. SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation of phospholipids was carried out on an Acquity BEH C8 CH:CHROMATOGRAPHY_SUMMARY column (1.7 μm, 2.1×100 mm, Waters, Milford, MA) using an Acquity UHPLC. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity H-Class CH:COLUMN_NAME Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um) CH:SOLVENT_A water/acetonitrile 90/10, 2 mM ammonium acetate CH:SOLVENT_B water/acetonitrile 5/95, 2 mM ammonium acetate CH:FLOW_GRADIENT The gradient was ramped from 75 to 85% B over 5 min and further increased to CH:FLOW_GRADIENT 100% B within 2 min, followed by isocratic elution for another 2 min CH:FLOW_RATE 0.75 ml/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Targeted MRM with pre-optimized settings and subsequent automated integration of MS:MS_COMMENTS selected signals using Analyst 1.6.3 or Analyst 1.7.1 (Sciex). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative intensities MS_METABOLITE_DATA_START Samples 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__MDA_MB_231_WT_1 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__MDA_MB_231_WT_2 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__MDA_MB_231_WT_3 210514_MDA_ZEB1_n1_2h_WT_DMSO_1 210514_MDA_ZEB1_n2_2h_WT_DMSO_10 210514_MDA_ZEB1_n3_2h_WT_DMSO_19 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#1_1 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#1_2 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#1_3 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#4_1 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#4_2 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shGFP_#4_3 210514_MDA_ZEB1_n1_2h_sh-Ctrl_DMSO_4 210514_MDA_ZEB1_n2_2h_sh-Ctrl_DMSO_13 210514_MDA_ZEB1_n3_2h_sh-Ctrl_DMSO_22 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#13_1 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#13_2 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#13_3 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#F10_1 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#F10_2 190905_AG_Brabletz_ZEB1_EMT_Lipidomics__shZEB1#F10_3 210514_MDA_ZEB1_n1_2h_sh-ZEB1_DMSO_7 210514_MDA_ZEB1_n2_2h_sh-ZEB1_DMSO_16 210514_MDA_ZEB1_n3_2h_sh-ZEB1_DMSO_25 220408_MDA shZEB1_1_10_PE_5 220408_MDA shZEB1_1_10_PE_6 220408_MDA shZEB1_1_10_PE_7 220408_MDA shZEB1_1_10_PE_8 220408_MDA shCtrl_1_10_PE_1 220408_MDA shCtrl_1_10_PE_2 220408_MDA shCtrl_1_10_PE_3 220408_MDA shCtrl_1_10_PE_4 220408_MDA shCtrl_1_10_PC_5 220408_MDA shCtrl_1_10_PC_6 220408_MDA shCtrl_1_10_PC_7 220408_MDA shCtrl_1_10_PC_8 220408_MDA shZEB1_1_10_PC_1 220408_MDA shZEB1_1_10_PC_2 220408_MDA shZEB1_1_10_PC_3 220408_MDA shZEB1_1_10_PC_4 230309_shCTRL shZEB1_Rao_shCTRL_5 230309_shCTRL shZEB1_Rao_shCTRL_6 230309_shCTRL shZEB1_Rao_shCTRL_7 230309_shCTRL shZEB1_Rao_shCTRL_8 230309_shCTRL shZEB1_Rao_shZEB1_1 230309_shCTRL shZEB1_Rao_shZEB1_2 230309_shCTRL shZEB1_Rao_shZEB1_3 230309_shCTRL shZEB1_Rao_shZEB1_4 Factors Sample source:MDA-MB-231 cells | Genotype:Wild-type Sample source:MDA-MB-231 cells | Genotype:Wild-type Sample source:MDA-MB-231 cells | Genotype:Wild-type Sample source:MDA-MB-231 cells | Genotype:Wild-type Sample source:MDA-MB-231 cells | Genotype:Wild-type Sample source:MDA-MB-231 cells | Genotype:Wild-type Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:control for Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown Sample source:MDA-MB-231 cells | Genotype:Zeb1 stable knockdown PE 14:0/14:0 0.0046885727 0.0065379391 0.0058353260 0.0048238210 0.0104920590 0.0084778963 0.0094649985 0.0088061071 PE 14:0_16:0 0.0141848960 0.0208324849 0.0248933410 0.0360133283 0.0310622838 0.0387392014 0.0318720537 0.0364185005 0.0353196672 0.0374698834 0.0382746089 0.0431887885 0.0407886196 0.0677657672 0.0416247283 0.1601844379 0.1882654752 0.1548820356 0.2000933803 0.1394017136 0.1938116404 0.2080801129 0.2458792452 0.2052099365 0.0564902943 0.0363928804 0.0418466007 0.0414177288 0.1439296452 0.1667631020 0.1505796848 0.1520159032 PE 14:0_18:1 0.0837759857 0.0798592734 0.0871571458 0.1018443373 0.0842721576 0.1141467306 0.1270380445 0.1142358092 0.2205406449 0.2079935438 0.1971716845 0.2259826024 0.1459284946 0.2409619975 0.1532425094 0.3710668042 0.4008258146 0.4231248346 0.4217069713 0.3184772224 0.4278923387 0.4442440740 0.4452448222 0.3899926724 0.1273874398 0.1351696079 0.1534839709 0.1423465526 0.2796159653 0.3814681899 0.3221873946 0.2918308321 PE 16:0/16:0 0.0409635773 0.0457482881 0.0471210800 0.0746389950 0.0729093406 0.0802111471 0.0407854246 0.0432664237 0.0583686519 0.0627546494 0.0660278039 0.0904348342 0.0495987152 0.2574414495 0.0559532949 0.2042909328 0.2354246510 0.1692983495 0.2292820885 0.2178508488 0.1711574906 0.2988839596 0.2514665743 0.2541212368 0.0577169958 0.0311948546 0.0365191571 0.0472923631 0.1760873031 0.2034492510 0.1632750520 0.1503122159 PE 16:0_16:1 0.3816022655 0.3786405788 0.3877303874 0.6541926490 0.4885208984 0.8212516126 0.5514585561 0.4840236604 0.9598216289 0.9601607037 0.8912994899 0.9757175849 0.8257072834 1.1488016978 0.6862790630 4.5003237767 4.0598985701 5.0609993443 4.1524225847 2.9661051561 5.5065543979 3.8837228778 4.5379165111 3.9687534665 0.4425767952 0.4166874685 0.5536589591 0.5032824447 1.9233452026 4.6785668139 3.8614612851 3.8809314267 PE 16:0_18:0 0.7716378160 0.7338660361 0.6642281235 0.5207694386 0.5896944389 0.6487569726 0.6083713754 0.4822509547 0.5625942363 0.5170638805 0.3200466464 0.3302879629 0.4067950659 0.4671573282 0.3758549040 0.4832220876 0.3700137323 PE 16:0_18:1 2.9171588562 2.7283849987 2.8518630796 3.4316164010 2.9853887440 3.9945052163 3.4054479063 2.9553976295 3.8682497483 4.6733356660 4.4582215933 4.1867748914 4.0940892581 4.9931303329 4.0491809419 9.9000898650 9.3039604632 9.8247118949 9.4083042463 8.4643198537 8.8971085112 9.1657795798 9.0200135742 9.0013844357 3.7830245954 3.1204108365 3.7279577805 3.4357382748 7.7464768494 9.7628682763 9.6601222828 8.1062328303 PE 16:0_18:2 0.3142131792 0.2676996299 0.3109908497 0.2686708909 0.2226633482 0.3323308595 0.2185486529 0.2097332105 0.2535609410 0.2532199472 0.2534353182 0.2961632199 0.2612239878 0.3194302435 0.2391050654 0.5892355545 0.4800968491 0.6137652300 0.5503885878 0.4163149481 0.6455160487 0.8477767117 0.9393273923 0.9208308792 0.1629609225 0.2015131079 0.2066628772 0.2161356156 0.5726698312 0.6648015220 0.6493872206 0.5888560346 PE 16:0_20:3 0.1394700037 0.1505009881 0.1594453410 0.2595324458 0.2169249270 0.3763746820 0.1265878743 0.1281391684 0.1421077690 0.1455480545 0.1529246421 0.1533316304 0.2354277509 0.2937747931 0.2257365069 0.1805979143 0.2167041685 0.2138961861 0.2124792604 0.1517984322 0.2682460429 0.3201104728 0.3944505091 0.3628134347 0.1451970096 0.1039793593 0.1266440834 0.1290879656 0.2636164138 0.1746483785 0.2111653138 0.1815025591 PE 16:0_20:4 0.6087911552 0.5656908148 0.6185864272 1.2479657872 1.0548373359 1.4919466844 0.4257692217 0.3941685327 0.3923843678 0.3316495005 0.3874412772 0.4835129135 0.8570946767 1.2042946255 0.8609030595 0.5847401277 0.7624751747 0.7751328004 0.8013664389 0.4613420392 0.8062138635 1.5833624625 2.3574557327 1.9013374346 0.5088422237 0.5144111079 0.6423618149 0.5908800127 1.5299196683 1.1492344492 1.3656658654 1.1935745865 PE 16:0_22:2 0.0123720430 0.0083641667 0.0172247090 0.0161856501 0.0158478710 0.0251552759 0.0211940154 0.0192571900 0.0195888733 0.0195693503 0.0225380053 0.0186621415 0.0235247659 0.0300254476 0.0307808701 0.0129062253 0.0293004719 0.0272789899 0.0335903020 0.0290463707 0.0376243005 0.0400724650 0.0293693983 0.0346542308 0.0227450907 0.0095071030 0.0077415776 0.0092306619 0.0221100096 0.0159016835 0.0179962888 0.0149441164 PE 16:0_22:4 0.0252580581 0.0246141067 0.0190873191 0.1101493935 0.1120464268 0.1342028877 0.0243794201 0.0156651430 0.0190129251 0.0167755787 0.0125917656 0.0164990296 0.1374135435 0.1163081524 0.1638290889 0.0113534625 0.0151262029 0.0094892345 0.0181335426 0.0109974850 0.0186895579 0.2402364326 0.1685488881 0.1687634191 0.0885729037 0.1177147259 0.1221955180 0.1211884107 0.0972886161 0.0418593317 0.0667864777 0.0482330236 PE 16:0_22:5 0.2323080520 0.2225223274 0.2278829592 0.2293728518 0.2060856531 0.2552565385 0.1979389585 0.1814170482 0.1567822892 0.1353093510 0.1584067291 0.1973226634 0.2407968575 0.2532397386 0.2356307231 0.1537703674 0.1605228339 0.1826126645 0.1865246999 0.1309259176 0.2148554349 0.7555831880 0.6270361570 0.6592390964 0.1279278547 0.1615244447 0.1667571124 0.1743213807 0.3298816487 0.1639159381 0.2654086641 0.1912985379 PE 16:0_22:6 0.2746079568 0.2322522298 0.2785045637 0.2334278878 0.1972440330 0.2494084656 0.1730895607 0.1935565484 0.1562295558 0.1445428795 0.1574474156 0.2194653356 0.2363561038 0.3306314347 0.2161025929 0.1490830763 0.2087811088 0.2227772135 0.2401929229 0.1200996546 0.2457852653 1.0377890375 1.1968452654 1.1151143283 0.1355344379 0.1790040314 0.2046040190 0.2070482727 0.5076802764 0.3503379219 0.4826185329 0.4042572225 PE 16:1_18:1 0.0977986134 0.0714472673 0.1020568443 0.0716214162 0.0508227977 0.0711205820 0.1546784979 0.1732732075 0.1204958912 0.0801226501 0.1306211203 0.1096555986 0.0487042649 0.0609269487 0.0547095172 0.0649215479 0.0795487924 0.0823789365 0.0635672025 0.0529008484 0.0882665258 0.1433736487 0.2090510242 0.1230099332 0.0596581246 0.1473402072 0.2147036216 0.1729516324 0.1127263653 0.1040489558 0.1044419836 0.1125130489 PE 16:1_20:3 0.6975923197 0.6458926795 0.6948304515 1.6352630718 1.3795564060 2.1239982010 0.8211735596 0.7035411005 1.4006652434 1.3476306025 1.2883766610 1.3562845811 1.5994551759 2.1673071751 1.3423124013 10.4349564118 9.1577829282 10.3603496160 9.3860403711 9.0758708448 10.6210351797 8.7231126106 8.7353882327 8.5304946919 0.9478997179 0.6659933966 0.9676536669 0.8481106733 4.8180344682 12.5758848119 8.4207295141 8.5298430298 PE 16:1_20:4 0.0473195061 0.0392801889 0.0615401270 0.0405092241 0.0630198295 0.0434508744 0.0996397892 0.1419842306 0.1112157475 0.0146239361 0.0097411691 0.0151948715 0.0157818076 0.0851957634 0.0989466850 0.0913502521 0.0890321813 PE 16:1_22:1 0.0311680031 0.0254775295 0.0286481265 0.0922439078 0.0912872382 0.1123411153 0.0189161539 0.0159888630 0.0312294397 0.0255502229 0.0317242425 0.0450001749 0.0568549438 0.0815583960 0.0545655448 0.1667658319 0.1996674688 0.2348522313 0.2211033132 0.1665578916 0.2641519194 0.2572179503 0.4190927532 0.3364429075 0.0374729749 0.0245999692 0.0454433749 0.0435435782 0.3132981886 0.3874821835 0.3623580119 0.3388166887 PE 16:1_22:4 0.0285988768 0.0262884833 0.0294174141 0.2029200610 0.1848198198 0.2967446985 0.0429462418 0.0494918084 0.1050746281 0.1301224211 0.1050210359 0.0675416418 0.3429720623 0.3389081945 0.3496254887 0.4973291755 0.5560719119 0.5858292560 0.6365318717 0.5104011322 0.6586126176 0.5209233477 0.6519230006 0.6781530903 0.1718625488 0.0426496471 0.0541772578 0.0590615291 0.2730927311 0.4250521971 0.3676533033 0.3605958791 PE 16:1_22:5 0.0128942247 0.0129308579 0.0138823412 0.0122986925 0.0149177273 0.0113450262 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0450730437 0.0423049419 0.0352415907 0.0086431919 0.0074742034 0.0122375453 0.0102947400 0.0250791007 0.0254100517 0.0269572741 0.0201905265 PE 16:1_18:0 0.0235007772 0.0226071934 0.0307960246 0.0205025095 0.0259345271 0.0192979184 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0828025234 0.0976304219 0.0746786088 0.0136683035 0.0131478984 0.0162038644 0.0148221187 0.0659374533 0.0605282626 0.0619319163 0.0585167913 PE 18:0/18:0 0.0030985176 0.0005401215 0.0041509597 0.0106510525 0.0061534193 0.0188297015 0.0031655972 0.0036480754 0.0077581666 0.0233084073 0.0169655732 0.0047172597 0.0100024557 0.0074876894 0.0121910081 0.0211251594 0.0180960244 0.0236646743 0.0294804418 0.0223386413 0.0279418142 0.0419116078 0.0333132188 0.0298108616 0.0059887844 0.0104379240 0.0093489042 0.0072830239 0.0147334000 0.0353590859 0.0310010904 0.0254293427 PE 18:0_18:1 1.8909768231 1.8791597358 1.8533857841 2.9555735989 2.7828465592 3.2017379088 2.2198795362 2.0342482069 2.9226333689 2.7123540370 2.6713191510 2.8388386185 3.4992244653 3.5752005083 3.1070398643 3.9872092949 3.8013716240 4.1697712576 3.8476071004 3.5395699911 4.2179186349 4.6218206152 5.2883254164 4.8140180683 2.5521157624 2.3297255346 2.6356112657 2.4418338970 3.7152774419 5.0335449545 5.2085345135 4.3033891581 PE 18:0_18:2 0.1784347526 0.1723946931 0.1460032421 0.1345522642 0.0319767283 0.1163585047 0.0371242905 0.0417126727 0.0431936039 0.0000000000 0.0000000000 0.0000000000 0.0000000000 PE 18:0_20:2 45.4092157843 45.1732130186 42.3047249582 27.1151440709 28.0479304410 28.0762698740 48.9794235282 50.3228972160 42.7821214520 47.7223453314 45.4939430766 42.8618907081 29.5537700512 24.4724047954 30.8836664227 27.0651463527 29.4416709574 27.0459442685 28.6564224691 31.2925088158 26.4105658140 15.4231103626 15.2337019061 16.2896701140 37.4396569527 38.5400850762 36.1283222620 38.0599624140 20.3849524572 12.8834224142 17.5625334553 14.6032829340 PE 18:0_20:3 3.3173375422 3.4166694972 3.4106579475 3.0310472994 3.1089534217 2.5877631316 2.3310715880 2.1717254523 2.4088676309 2.3051043648 2.3891113241 2.5211477287 2.9371273324 2.8454775644 2.5174728305 1.2416524917 1.2993632325 1.3043933801 1.3764193061 1.3257738144 1.4619952906 2.3824310211 2.8159630773 2.7080057820 2.3025084203 3.1212667061 2.5874204893 2.8601809878 2.7398376339 1.5585135607 2.2111964194 2.5681518825 PE 18:0_20:4 0.8940398032 0.9572727039 1.0049993875 1.2894777707 1.1943448804 1.4511418927 1.2368247548 1.0559601283 1.6812659046 1.5583450791 1.5265567565 1.5964717215 1.7969543843 1.9359925020 1.8981985288 0.3618651229 0.4037764119 0.3475210838 0.4350514775 0.5179741771 0.3682490559 0.5820763578 0.4239385920 0.4871956922 1.0053488034 0.7223256512 0.7659680365 0.6947181818 0.2721871393 0.1449574507 0.1910063624 0.1599467152 PE 18:0_22:4 6.9653500561 7.0419493360 7.9982253287 7.4242653421 7.0666034165 8.1873912744 5.6355012902 5.5709930109 7.2956945735 6.4997274292 6.2904345298 7.1488726096 7.8650871762 7.7062047916 8.4620520377 1.8118912427 2.6730382951 2.3360570793 2.6914210251 2.0936952947 2.7195157154 2.8038513342 3.5510968218 3.5432088257 6.2273043348 4.9506962811 4.5918965577 4.6850144925 3.8139473142 1.4735713879 2.6904683768 1.8507940909 PE 18:0_22:5 11.0877514866 11.8601954539 11.2530448945 15.5192194306 17.1054398650 13.7299451409 7.9035490432 8.4959900118 7.2841424444 5.2558839849 6.5753320207 7.1194414607 11.8664950266 11.0331382927 12.6568740336 3.7341044972 4.9920181736 5.2152249980 5.9815611608 3.3919140268 5.0966054225 8.8631669323 10.0372243645 10.0044750611 14.3283197250 15.1574569497 15.4537737197 15.5426100529 15.9311416166 8.7819482648 11.7329481628 13.6908102823 PE 18:0_22:6 3.7226045522 3.6419387280 4.2928551529 2.9053856814 2.6502253028 2.1563211009 3.9476329553 3.9475164378 3.2083965605 2.1268112352 2.8261472476 3.5885829115 2.7587289672 2.4358953542 2.7538107461 0.2934855544 0.5312533516 0.4103290011 0.5489708652 0.3403574307 0.4702921914 0.7820552460 0.8392139010 0.7558238780 2.6927126412 4.2369307911 3.7238410315 3.7797550356 0.7186031365 0.2578706594 0.5577020857 0.4012192630 PE 18:1/18:1 3.1571250926 3.4797865483 3.6423311705 2.7922184458 3.0462782129 2.0612884594 3.5561649060 3.6623938185 2.8906853758 1.8886284480 2.6707674250 3.1048051694 2.4100712543 2.6490735428 2.2016851781 0.5268461700 0.5769276166 0.6445188286 0.6050963034 0.4229981296 0.7370624994 1.1373228735 1.2042493994 1.1858911896 2.5980602139 3.3095374935 3.4554789176 3.4136348624 1.1730654087 0.4971618717 0.9250984279 0.9018219257 PE 18:1_18:2 2.3378608892 2.2484716453 2.2256890292 3.2518330856 3.0474557660 3.0946301811 2.1611143118 2.2767580678 1.7523474258 1.2903631406 1.6354398741 1.8110656589 2.3252065493 3.1971102405 1.9614078893 0.4215438654 0.4858442493 0.5756288408 0.5040746091 0.3300963844 0.5657199636 1.6425213292 1.9832095255 1.7487959715 2.2282780464 3.0608642557 3.1730552353 2.9874931828 1.4597713653 0.7119316806 1.1665720955 0.8956195925 PE 18:1_20:1 0.7179456153 0.6078681284 0.6822474852 1.1793624764 0.9951884463 0.8956806371 1.1067867757 1.1841698511 0.8441886866 0.4763639558 0.6873112313 0.7968641313 0.5811787406 0.7930213055 0.5281541611 0.1174388414 0.1545102710 0.1511966621 0.1462762197 0.1250718434 0.2321391124 0.2920715168 0.4914972766 0.3013424510 0.7234024276 1.9385311713 1.8185224555 1.7819001134 0.4090622393 0.3059494037 0.3412462099 0.2942045591 PE 18:1_20:3 9.0958378832 9.0184852559 9.5129117199 12.0359131689 12.3719959394 10.8737718614 9.9370580960 9.2727105095 13.1202338071 14.0748788736 13.3731475335 12.4091861557 14.4082248058 15.0802561807 13.6239655305 23.0114538231 19.9727130407 19.3476085633 18.5982689709 23.2211403917 18.5220920312 17.5078515436 13.5908856350 15.3409161478 14.0687101136 11.5765194060 12.8650025053 11.5331136196 20.0459081705 27.3219737589 21.5735709029 27.4703771363 PE 18:1_20:4 0.8962425408 0.8052670917 0.9470515165 1.2340699159 1.1231801757 1.4155433433 0.6351722158 0.5867217566 0.7845940719 0.7646290646 0.7136437319 0.8104065977 1.0333005565 1.2183203499 0.9038055430 1.6624043588 1.4897433798 1.6405271416 1.5194250393 1.5291597792 1.7628832940 2.2459942854 2.2860413757 2.2660149816 0.5882619585 0.5254193324 0.5682545295 0.5653825081 1.5549149179 1.7529919098 1.4930384225 1.3779650162 PE 18:1_20:5 1.2907895610 1.2584675807 1.4250327565 1.9275679768 1.9036048514 2.0416715454 1.5059995540 1.4491658016 2.2317718348 2.0793851009 1.9029717905 1.8099897926 3.2393601862 3.5603387208 3.1537387564 4.2733326119 4.5083615161 4.0592702718 4.5645550660 5.2584179748 4.2552977506 4.9717102790 3.3691732648 3.7967552890 2.1028816993 1.4515669295 1.3527339090 1.3072606921 2.4062619633 2.3956095843 2.3519052827 1.9237520223 PE 18:1_22:4 0.5072456851 0.4875282945 0.5758356810 1.2624481905 1.1161379969 1.5506203448 0.3570300252 0.3315536134 0.6154963288 0.5891766472 0.5255120772 0.5389624393 1.2724876437 1.4691507859 1.2480274592 0.5519893262 0.5355224701 0.5828189322 0.5568010957 0.5283328015 0.6018125531 1.0642548630 1.0349109472 1.0228400128 0.8064623532 0.4345323908 0.4772915973 0.4445231254 0.8021169231 0.6408828687 0.6009677224 0.5812622525 PE 18:1_22:5 1.2750106172 1.1608676320 1.2922907406 3.8969524598 3.7339897987 4.6358967064 0.7856731337 0.7093203326 0.9394478741 0.8879208274 0.9449134598 1.1074801660 2.3210926787 2.9983302157 2.4141049566 1.6033837557 1.7410446439 1.8013647889 1.7691540661 1.6039880906 1.9071861105 3.2154357879 3.8378787924 3.5827733849 1.5069993745 0.9898901998 1.2474895679 1.2048421589 2.8730968460 2.6642959773 2.3574980726 2.2084817748 PE 18:1_22:6 0.3093003400 0.2949441282 0.3519735945 0.2874912612 0.2708600578 0.3015268189 0.1222662399 0.1198386555 0.1713473683 0.1953673472 0.2100675891 0.2739305473 0.1425299439 0.2201460033 0.1324730490 0.3267795997 0.3718554702 0.3865709880 0.4033088213 0.3240330389 0.4436456930 0.3642631774 0.5361278366 0.4525856811 0.0924620530 0.0992373227 0.1085900763 0.1153472271 0.4299274413 0.3472425668 0.3411885569 0.2966041942 PE 18:2_22:5 0.2731394650 0.2623447114 0.3222611193 0.4949351889 0.5445684697 0.4165553149 0.2919264036 0.2518583136 0.2217787679 0.1851310717 0.2353449138 0.2530608110 0.5933307624 0.5412787158 0.6165503436 0.1334126655 0.1408013625 0.1303730976 0.1524932150 0.1257757561 0.1216426528 0.5514393339 0.3558522493 0.3479175695 0.4764543745 0.4388753845 0.4307947294 0.4643466998 0.2672780387 0.2054913412 0.2351739530 0.2450685454 LPE 14:0 0.3491265705 0.3198213513 0.3799074248 0.5299194859 0.5054689861 0.5536540007 0.3048994099 0.2901537676 0.3093367203 0.2456285284 0.2603456858 0.3142253591 0.5038203255 0.5247353103 0.4394842870 0.3155031061 0.2882569814 0.3329108663 0.2913742454 0.2413665647 0.3683776622 0.7091576820 0.6229821898 0.6104143898 0.2730519283 0.2323715186 0.2529510296 0.2641180435 0.3875849243 0.3052881233 0.3377892829 0.2746952395 LPE 16:0 0.4605116695 0.4492190222 0.4808431552 0.8751860584 0.7984189360 0.8718000953 0.3403638222 0.3351736746 0.3803021674 0.3356564424 0.3963730308 0.4012458697 0.7250865468 0.9059528399 0.6029475420 0.3919164374 0.3853741246 0.3958404249 0.4086260489 0.3745950807 0.4419751982 1.0908343194 1.1249067886 1.0126954692 0.3650401851 0.3381723224 0.4041911281 0.4009054365 0.6446075928 0.6267407539 0.7069823263 0.6162702579 LPE 16:1 0.1267293693 0.1206770240 0.1375363153 0.1681181089 0.1273614683 0.2150451166 0.2231944099 0.1914305795 0.1856631645 0.1845248912 0.2689664039 0.1789662127 0.1455140900 0.1380943409 0.1505778680 0.1525991024 0.1205164204 0.1385025980 0.1357328673 0.1455693879 0.1846750372 0.2934209983 0.2439333717 0.1711734404 0.1279996420 0.2118235307 0.2490461402 0.2081325366 0.1462668040 0.2081654467 0.2012809799 0.1924711072 LPE 18:0 0.0140912503 0.0142341588 0.0163399892 0.0101707662 0.0124590981 0.0097325352 0.0162170824 0.0184218792 0.0145833059 0.0083066530 0.0118347835 0.0133326364 0.0125520853 0.0137698746 0.0066769624 0.0088794603 0.0066396457 LPE 18:1 0.0010308812 0.0005416647 0.0029092196 0.0006661845 0.0001102196 0.0006595023 0.0012640781 0.0007283700 0.0000000000 0.0000000000 0.0024138011 0.0021827671 0.0000868002 0.0003376618 0.0003109804 0.0023425301 0.0009307209 0.0000000000 0.0000000000 0.0000000000 0.0019522261 0.0008490714 0.0008337919 0.0006058197 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 LPE 18:2 0.0036124897 0.0000000000 0.0016556535 0.0082783298 0.0049443531 0.0144726140 0.0082093047 0.0021768095 0.0073723587 0.0011362849 0.0096827905 0.0058034708 0.0073760897 0.0060218948 0.0061332248 0.0015639177 0.0051176390 0.0084426366 0.0046667130 0.0017171296 0.0068179877 0.0150845657 0.0096178362 0.0077061612 0.0032034368 0.0057482277 0.0061081313 0.0038629786 0.0059519033 0.0067129811 0.0080299797 0.0044794380 LPE 20:3 0.0036124897 0.0081172540 0.0041509597 0.0150352311 0.0114482219 0.0433595433 0.0094877882 0.0065553301 0.0042659967 0.0033991427 0.0067724361 0.0054414005 0.0178168741 0.0090526040 0.0257998565 0.0000000000 0.0013921039 0.0029627512 0.0032346596 0.0017183570 0.0003247542 0.0044982717 0.0050576712 0.0045543882 0.0076955994 0.0071601613 0.0046773543 0.0029990279 0.0042535375 0.0039733104 0.0043555028 0.0036539493 LPE 20:4 0.0025845455 0.0075771325 0.0033231330 0.0455533272 0.0278593697 0.0924174051 0.0101018204 0.0021788846 0.0046540156 0.0176431694 0.0125793518 0.0061655412 0.0346904879 0.0212053168 0.0624840275 0.0062690567 0.0023201731 0.0054919291 0.0061008136 0.0051673451 0.0051905158 0.0193801442 0.0161404891 0.0134047264 0.0224550700 0.0168326598 0.0149462510 0.0133226047 0.0153218822 0.0087795527 0.0097289410 0.0051369702 LPE 20:5 0.0000000000 0.0000000000 0.0000000000 0.0028437915 0.0014304188 0.0044817007 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0007814418 0.0009554117 0.0009355327 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0007836748 0.0006107295 0.0006662339 0.0006432143 0.0018675040 0.0019783225 0.0006459445 0.0008537566 0.0006303269 0.0006711168 0.0008308491 LPE 22:5 0.0020558884 0.0027006073 0.0020695668 0.0232242975 0.0143102773 0.0501509595 0.0031511917 0.0058311103 0.0046540156 0.0022660952 0.0024138011 0.0032689782 0.0140899976 0.0106277885 0.0220853683 0.0023425301 0.0032615005 0.0016861186 0.0010748078 0.0038785773 0.0025998840 0.0107850129 0.0083379195 0.0077028048 0.0100502231 0.0115148792 0.0064815458 0.0079589587 0.0056713833 0.0046036373 0.0048644705 0.0048242851 LPE 22:6 0.0000000000 0.0021604859 0.0024953063 0.0040813675 0.0032883190 0.0068500791 0.0012640781 0.0007283700 0.0015476536 0.0022660952 0.0000000000 0.0014482815 0.0018249673 0.0016805288 0.0054997462 0.0007830743 0.0004653604 0.0000000000 0.0010748078 0.0004308167 0.0000000000 0.0024207567 0.0016614304 0.0012133176 0.0010681951 0.0037350081 0.0007207092 0.0021454584 0.0000000000 0.0002093586 0.0010044231 0.0005002962 PC 14:0/14:0 0.3264752619 0.5454240825 0.6479196614 0.6385794448 0.6901468827 0.5373753475 0.7212185902 0.6277309551 PC 14:0_16:0 1.4043917815 1.3199934250 1.5170477910 4.3332400003 3.6580372960 3.0217344768 1.1715015774 1.1858813403 1.4466266969 1.4418500058 1.6320310182 1.7972038335 4.4719995838 5.8037985489 3.0269601150 2.8301341228 3.2728886858 3.1550953809 3.3302838744 2.8098951724 3.6608085727 9.3379445406 9.1477746858 7.6908641345 2.5133190395 1.6032528716 1.9765705188 2.1306213760 5.1945904781 3.8982781201 4.7744229924 3.9703795082 PC 14:0_16:1 0.2081000729 0.1843597406 0.1973562261 0.5128693778 0.4369941165 0.5017367605 0.3710681096 0.3774181726 0.4888675135 0.5005876435 0.5601323622 0.5127192237 0.8401306103 1.1882224640 0.8096605575 1.2228484543 1.4516917531 1.7719950899 1.5120479456 0.8824913613 2.0841742480 1.8708896999 2.6412655121 2.1671898404 0.4623493593 0.4599790565 0.6794485987 0.5768383383 1.5926466523 2.1073543041 2.3472993930 2.2094152512 PC 16:0/16:0 2.6706891148 2.4975930139 2.7048389601 4.4859980935 4.8186005272 3.9251110366 2.0992660310 1.9097837277 2.3327915460 2.9747884225 3.5959012764 3.4851382247 2.7987563952 4.8735430675 2.4022356593 3.6197599226 4.0255248500 3.5616045224 3.7409905218 3.8273893711 3.3485086230 6.1812763369 5.4287440311 5.4305828252 2.2628830743 1.5082570855 1.6696259097 1.9917804453 4.5987217044 4.0024049549 4.0887534669 3.4584631020 PC 14:0_18:1 1.1146729974 1.0226449243 1.0856424116 1.7801838849 1.6589645101 1.6421891089 1.3989663286 1.3262450697 2.2180710155 1.9494644166 1.9303118127 2.0569938689 2.6586682278 3.7279067746 2.4629364810 2.1484534500 2.5573704236 2.4746789975 2.6535047440 2.1794511517 2.7873938744 2.8390495899 3.1464543905 2.8233894520 1.8114440276 1.7699771938 2.0523578865 1.8661485833 2.2547032929 2.3828705082 2.6325954368 2.5025020104 PC 16:0_16:1 6.0683418689 5.5747193608 6.0294264000 10.9098705818 8.6639215154 9.4971328021 8.3705431141 7.5935580833 10.4476735677 9.3760065636 9.5974844299 10.7918175028 11.7876438285 12.9161911790 9.5084777515 15.8048937024 15.0072980424 17.5213114218 16.0522931432 13.7490847272 19.3144038199 15.9447872125 16.6653652315 16.2615365360 5.7326395119 6.1943926975 8.2601701190 7.3202707921 14.5101207993 16.2612923634 17.0784211558 16.8049656267 PC 16:1/16:1 0.1787333771 0.1612438494 0.1765408416 0.5944390601 0.5168104676 0.6954033713 0.2623187831 0.2000913495 0.4379490311 0.3402141948 0.4174182257 0.3786990909 0.7204832072 1.4121199930 0.8108888172 1.8268115143 1.6519799524 2.3170802259 1.8726648086 0.2470950999 0.2185522092 1.7910386297 2.2547147317 1.9877470407 0.3113081270 0.2676749146 0.4066648049 0.3403926562 1.5849688314 3.8634177384 3.5392515137 3.5422526628 PC 14:0_18:2 0.0603408464 0.0561533392 0.0529262021 0.0904679151 0.0852762804 0.0992715417 0.0328687234 0.0523130252 0.0496835087 0.0543230295 0.0419893037 0.0604934911 0.1358013603 0.2032300648 0.1438665517 0.0651844640 0.0612357007 0.0709808737 0.0732088508 0.0494510700 0.0802874183 0.1636836025 0.2020190413 0.1808740403 0.0921407546 0.0916050427 0.1037705607 0.1076510878 0.1360716852 0.0968076420 0.1307636083 0.1168561539 PC 16:0_18:1 17.6260898669 17.5603322535 17.7963771359 18.5656614332 19.1685596367 18.6249035734 19.2183143246 19.0333417663 17.7085000595 20.0997063052 19.2723479696 18.4752286039 18.5557632588 16.7551046262 18.6846026905 26.9898798997 25.5428610269 23.1706888068 23.3060842605 27.9315680563 22.7651988147 19.1589552294 16.9962622971 18.4322596666 17.6964500348 15.0915710641 16.2175237127 16.4714511664 25.5263085407 20.7879789711 21.0979643498 20.1127469381 PC 16:1_18:0 2.4699119546 2.5525913344 2.4554127284 1.7537109543 1.6453223029 1.5011142933 3.3434272649 3.0934554996 3.2627495908 2.7462145423 2.8100908431 3.0372343340 2.1505149524 1.8694944206 1.5826596276 0.9217362424 1.1740038905 0.9687402226 1.0935999576 1.0447573693 0.9946619509 1.0421113450 1.2314896683 1.0348374167 1.7544082332 2.8747480561 2.7141133915 2.4584691214 1.1620379737 0.6930824887 0.7807608610 0.8578413063 PC 16:0_18:2 2.1043391835 1.9803780673 2.1170957973 1.9401900562 1.8288141347 1.9022224784 1.3734323220 1.3643308630 1.3825503368 1.3884725308 1.5201860319 1.7292224285 1.9136126818 2.0708325512 1.7588859781 1.5412261294 1.5446703302 1.6254855097 1.5514238273 1.4851345985 1.7887677934 2.4801484148 2.5701626327 2.6425273614 1.2294322378 1.2453313479 1.3218175908 1.3009362718 2.2814764415 1.2652537680 1.7487530732 1.4720851076 PC 16:1_18:1 2.0958355994 1.8948014362 2.0350048362 3.8235044278 3.6693834112 4.5748322161 2.1808087190 1.9343660721 3.2755728304 2.9427786237 3.0807032438 3.0888997100 4.0789887103 5.3456602862 4.8185042800 13.5185151656 12.7814876974 14.5564924327 13.4496389341 11.9451250789 16.0033969183 8.0452663869 8.2140481993 8.6768840279 2.8794242465 2.3209910898 2.8404634007 2.4746075411 7.1790787671 14.6633463567 12.6544038849 13.1803953579 PC 18:0_18:1 30.7234655064 32.2699542097 29.2280593187 19.8106421613 21.6057757088 19.6801683572 33.0348564430 34.0111102833 28.6413760572 28.5673316986 28.1604688969 27.5764866423 21.0866946212 17.0901586669 19.9180459126 3.9964164521 5.5594663390 4.2550436554 5.7649390176 6.8485663620 4.7019571692 8.8045872175 8.7269556776 8.3838213705 30.2010375784 34.9094198134 31.1877941949 32.9761014077 8.4476000847 4.5107918878 5.5203272922 5.6868140800 PC 18:1/18:1 9.0859570515 9.4861308296 9.1507533035 8.5949586835 8.7225648773 10.4597639645 10.6955202699 10.6375789685 13.0079165577 13.4784150038 12.0767507057 11.8279529701 8.6603490969 5.9992481745 11.3898516505 16.1783838415 14.7063779081 14.5387208770 14.5411116079 14.5368425152 11.3283551428 7.6090454658 7.7289079850 8.6390221485 13.3011116970 10.8918056289 10.9693744550 10.6340941475 11.1694837738 13.7650451400 11.2327958982 13.7710167042 PC 18:0_18:2 3.2135860189 3.1774416104 3.2443700383 1.8483119032 1.7182121724 1.5350228527 1.8046436028 2.0819747971 1.4393818966 1.3787203419 1.5271814994 1.6612779098 1.8226713632 1.3483565601 1.3600043077 0.2366157182 0.3084320906 0.2765814843 0.3238754320 0.3102542616 0.2915932764 0.8149911787 0.9319925281 0.8354588215 1.5082383371 2.4625527063 1.8794699047 2.0043262381 0.7758944728 0.2479987229 0.3885214562 0.3910038911 PC 16:0_20:3 0.8376757906 0.8070699936 0.8748902876 0.9237394364 0.9600136462 1.0437208032 0.5134311210 0.5579590219 0.5054633989 0.4991229612 0.5720279567 0.6107260567 0.7378134581 0.7998459351 0.9190111324 0.2512242920 0.3782049088 0.3476109806 0.3929093124 0.3161514601 0.3306465216 0.5729273959 0.6129929574 0.5964736999 0.5715921336 0.4982698208 0.5768029905 0.5440061818 0.6696396610 0.2540907330 0.3904730871 0.3713465210 PC 18:1_18:2 1.5928065499 1.5574064400 1.7603348546 1.6181013574 1.7298137419 1.9620992564 0.9833869982 1.0070376784 1.2128694879 1.1500815708 1.1843045995 1.1684526837 1.3646223850 1.5188519450 1.5913453396 1.5680540916 1.5523060129 1.6932653964 1.6137771913 1.6634979736 1.8855870784 1.8629458897 2.0441308193 2.1494886269 1.1303269921 0.9042403581 0.9946794855 0.9366353423 1.6987293066 1.6805499051 1.7428829882 1.7167253710 PC 16:0_20:4 1.2159770132 1.1136147911 1.2244565283 1.4968036711 1.6066163606 1.6916610402 0.5355850173 0.5979975959 0.4112883937 0.3428033453 0.4617940728 0.5451748424 1.2157679196 1.1718918088 1.8043428569 0.1945199972 0.3323395545 0.2925880400 0.3411141790 0.2524329743 0.3250475159 0.7806168959 0.9404395930 0.9677625873 0.8979975713 0.7787616317 0.8116352448 0.7812031650 1.0993079197 0.3534226342 0.6024362256 0.4856281542 PC 16:1_20:4 0.0565599480 0.0492043365 0.0513357441 0.1389279535 0.1470341618 0.1776020420 0.0224995359 0.0260131892 0.0142733379 0.0201532877 0.0225207857 0.0282794776 0.1157774443 0.1245214719 0.2023263065 0.0502304657 0.0589467634 0.0832256620 0.0710949506 0.0365266522 0.0930848644 0.1601191493 0.2244334910 0.1993709909 0.0608844282 0.0497899559 0.0614227839 0.0625575004 0.1690298644 0.1390200561 0.1967704686 0.2254934807 PC 16:1_20:3 0.0599398420 0.0593917094 0.0611435686 0.1130387560 0.1148464238 0.1468333945 0.0443878454 0.0410036180 0.0611972207 0.0413355612 0.0517153134 0.0559380362 0.0897250768 0.1152444500 0.1274347652 0.0704248401 0.0960036861 0.1092638679 0.0962912885 0.0586204693 0.1056007521 0.1314933186 0.1528231250 0.1526044598 0.0582424319 0.0420999036 0.0557475752 0.0486216506 0.1141720353 0.1147854816 0.1465188956 0.1734297060 PC 18:1_20:1 2.4491341995 2.4053331963 2.4998024121 2.8992444748 3.1081456246 3.4990245831 2.6312872876 2.5725348162 3.8004754000 3.4660781140 3.2824003904 3.0363367680 3.4280529512 4.3715329451 4.3214865345 4.7993986622 5.0503412872 4.6877117488 5.2875680867 7.1611054778 4.8806711829 4.9434024025 4.1086015968 4.8315117089 3.9547288341 3.7433750698 3.5590179710 3.3104170103 3.2525889457 5.0763004153 3.9694068156 4.3111112116 PC 18:0_20:2 0.8443794379 0.8439752700 0.8890464243 1.0364712865 0.9784117228 0.8688057294 0.7443588606 0.7277960052 0.9295653573 0.8130377644 0.7573336010 0.8090697055 0.9490973612 0.9975315220 0.8085645141 0.0535839610 0.0930863957 0.0689873477 0.1063994084 0.1135706976 0.0921135212 0.2994522990 0.2877505843 0.2667300044 0.7482813002 0.8751222597 0.8363302849 0.7788481828 0.1542490923 0.1134740048 0.1327509662 0.1308448334 PC 16:0_22:2 0.0550705032 0.0498789969 0.0745034161 0.2067597720 0.1923673072 0.2140020682 0.0766528767 0.0634086417 0.1073288992 0.1229220769 0.1178835266 0.1125031390 0.2018218809 0.2255884720 0.2071604664 0.0921131750 0.1435225545 0.1268239153 0.1247715327 0.1341261150 0.1273457125 0.2076688571 0.1953077754 0.1831538136 0.1702026881 0.0925523432 0.1013510301 0.0938302529 0.1306748882 0.1392448405 0.1308724589 0.1242129630 PC 16:0_22:4 0.1982107322 0.2064461000 0.2703778655 0.2235009296 0.2467481036 0.2556698461 0.1106432807 0.1363733682 0.0673151785 0.0629164507 0.0823039849 0.0835904471 0.2330659636 0.1847701441 0.3410032167 0.0339580977 0.0449780597 0.0340309489 0.0444193757 0.0419337960 0.0377117416 0.0950126935 0.1002258340 0.1022139299 0.2368134547 0.1772813399 0.1694491206 0.1908470524 0.1288982024 0.0361551753 0.0645891315 0.0523735213 PC 16:1_22:4 0.0181202418 0.0205980584 0.0136413585 0.0291611614 0.0353222344 0.0382478871 0.0145696032 0.0136396061 0.0107163857 0.0068320943 0.0091238055 0.0083854799 0.0343720733 0.0299833237 0.0500175913 0.0084772906 0.0143699306 0.0149595494 0.0192300818 0.0125718678 0.0171822728 0.0273709815 0.0273011017 0.0289072565 0.0229476253 0.0143974869 0.0209982722 0.0207979327 0.0230301762 0.0147514801 0.0238402812 0.0226708082 PC 16:1_22:1 0.0463904772 0.0472127388 0.0521564204 0.1255607218 0.1208371137 0.1674453743 0.0749482238 0.0567082748 0.1517708830 0.1379035527 0.1193362410 0.1357175162 0.1185987691 0.1651984860 0.1451637743 0.2142782733 0.2416021918 0.2386396586 0.2866550100 0.2417706657 0.2598671088 0.2581893977 0.2431407304 0.2467523852 0.1174537215 0.0976052773 0.1225514028 0.1062635005 0.1573408492 0.2970298330 0.2419738455 0.2547813311 PC 18:0_20:3 2.2456554155 2.2520530390 2.4016202569 2.5944885179 2.5450743356 2.4550661089 1.3416184115 1.4517819978 1.2813735422 1.3110575787 1.3382791289 1.3268484967 2.0785543435 2.1688591951 2.0206638122 0.1055271561 0.1573268790 0.1248952193 0.1837212427 0.1497251563 0.1551655054 0.6281094134 0.7231968754 0.6722191854 2.2264027663 2.3892935651 2.1467675058 2.1746558388 0.6706205291 0.2461670808 0.3962962594 0.4151525856 PC 18:0_20:4 2.0358081093 2.0777794722 2.1862123320 1.9932474639 2.1936193203 2.1273849907 1.0387081676 1.1739377273 0.6083241970 0.5423032805 0.5931298504 0.7076017105 1.8116281399 1.3079973083 1.9187175025 0.0598879564 0.1220560345 0.1107055276 0.1083858125 0.0856768658 0.0961957877 0.5376672151 0.5594243184 0.5684050906 1.8078101503 1.7757794807 1.4423902375 1.5505181681 0.6662895414 0.1953917837 0.3104625658 0.2759096677 PC 18:1_20:3 0.6577388275 0.6707204405 0.7783489548 0.9549027257 1.0140979109 1.2079991664 0.4845753956 0.4700074497 0.5773770053 0.5511293823 0.5358140383 0.5277940296 0.6398643117 0.7707681046 0.9107872761 0.3066519558 0.3748563438 0.3591272404 0.3806717955 0.3788319397 0.4085029568 0.4159336282 0.4699354053 0.5195109810 0.6113634255 0.4271722964 0.5280512135 0.4920993752 0.5393836641 0.3271016033 0.4268260099 0.4744441634 PC 18:1_20:4 0.8096066303 0.7652423946 0.9061703558 1.3824949771 1.5728604379 1.7723571897 0.3686382727 0.4352491470 0.3553651371 0.2938634870 0.3184257611 0.3448866721 1.0470339153 1.0493577719 1.7094686189 0.2698628173 0.3199209650 0.3160468177 0.3258054842 0.2703882070 0.3652578408 0.6658553730 0.7456729894 0.7958837987 0.8454388285 0.5881465955 0.6242729585 0.6068268757 0.7467743192 0.4457054353 0.5993460043 0.5733605574 PC 16:0_22:5 0.8381294984 0.7475595440 0.9230239094 0.6041530916 0.6448204027 0.5951136741 0.3476757499 0.4050819691 0.2539163068 0.2192583149 0.2693593211 0.3439774254 0.5055566579 0.5165842153 0.6126334217 0.1060596854 0.1977765546 0.1659569943 0.2079116994 0.1667240586 0.1792797555 0.3884516774 0.4189056715 0.4545793732 0.4318033525 0.3828130839 0.3749005041 0.3912862032 0.4267625633 0.1215479815 0.2297441819 0.1929549396 PC 18:1_20:5 0.2824216503 0.2341071788 0.2931744306 0.1813294039 0.2210859362 0.1910272045 0.0940205595 0.0725347565 0.0893113711 0.0839874824 0.0912380549 0.1085071259 0.1005288295 0.1305327761 0.1418951761 0.0542028464 0.0700467837 0.0669046802 0.0796674816 0.0499359553 0.0756728821 0.1046787130 0.1551492431 0.1482782569 0.0744499471 0.0711346930 0.0814253723 0.0800009506 0.1290579727 0.0652422844 0.1072665738 0.0862531989 PC 16:0_22:6 0.7002796627 0.6277175829 0.8129467186 0.3098904626 0.3120930824 0.3068893990 0.2740629946 0.3344211656 0.2071568975 0.1784502248 0.2202582337 0.2711141219 0.2234340540 0.2944799333 0.2480829258 0.0667676592 0.1430718371 0.1212242140 0.1220610069 0.1058518188 0.1319740314 0.2532755092 0.3101277595 0.3030465786 0.3305569575 0.3145272705 0.3368282088 0.3657947115 0.3644453335 0.1021415314 0.2039494317 0.1562949575 PC 16:1_22:5 0.0738420907 0.0546474971 0.0546587410 0.0665542333 0.0750094158 0.0787404448 0.0347174714 0.0366227007 0.0381663819 0.0317873154 0.0364539751 0.0396465980 0.0676440579 0.0656480472 0.0891866818 0.0370467676 0.0374714058 0.0528365449 0.0482738448 0.0285679155 0.0623707314 0.0808388721 0.0990589094 0.1027342822 0.0403395098 0.0358954554 0.0442603222 0.0454696789 0.0808356656 0.0526417105 0.0782588950 0.0974976562 PC 18:0_22:5 1.0315339068 1.0036674003 1.0283175327 0.5582609687 0.5426556731 0.4888280035 0.6015070564 0.6314349351 0.3532366569 0.2781533782 0.3564165942 0.4205361189 0.4886110146 0.4484758787 0.3822646307 0.0369891968 0.0583281317 0.0522692814 0.0480287141 0.0384434485 0.0469158742 0.1596161829 0.1638738887 0.1529461108 0.6029194165 0.7118829554 0.5752271742 0.6472027370 0.1708641889 0.0586518850 0.0959761639 0.0838431074 PC 18:0_22:4 0.5428969042 0.5584097141 0.6545742093 0.6959922950 0.7375312016 0.5733304838 0.3823348299 0.4394807691 0.2333150087 0.1725729550 0.2094185588 0.2482815176 0.6147904522 0.4722334732 0.5412365987 0.0000143927 0.0230572872 0.0214668723 0.0225618871 0.0129544000 0.0231875362 0.1244003461 0.1201622142 0.1146567602 0.6502217190 0.8139407730 0.6424872255 0.6818934771 0.0972121180 0.0439980456 0.0665357539 0.0615439950 PC 18:1_22:4 0.2036701203 0.2202968792 0.2346084643 0.1636395908 0.2139113668 0.2244725889 0.1384347752 0.1703039786 0.1051093610 0.0955946266 0.0905954288 0.0999132386 0.1813431226 0.1667007523 0.2696071448 0.0604809350 0.0729296074 0.0594184225 0.0726601243 0.0670485833 0.0676999925 0.0696922420 0.0695019131 0.0770403915 0.2304458661 0.1813055158 0.1849389722 0.1993599162 0.1067169321 0.0500738993 0.0586220494 0.0639491437 PC 18:0_22:6 0.9086529915 0.8812145032 0.9951813999 0.3711420547 0.4032375695 0.3539486723 0.4230176449 0.4743525361 0.2345653485 0.2003092185 0.2429275081 0.3058364022 0.2984449286 0.2754718942 0.2406247223 0.0207398571 0.0380193368 0.0328364540 0.0384249436 0.0224866880 0.0370488655 0.0946952950 0.0985282298 0.1064207450 0.3466938937 0.3785412598 0.3222476518 0.3630622265 0.1400869243 0.0345674595 0.0624620375 0.0487915006 PC 18:1_22:5 0.6245717560 0.6282863217 0.7614386749 0.4165151905 0.4597970938 0.4640923835 0.3793465072 0.4034433054 0.2622412824 0.2649313753 0.2613318572 0.3041826675 0.3398366622 0.3877655470 0.4196719384 0.1363274990 0.1810116355 0.1549601858 0.1907370528 0.1914521782 0.2177515074 0.2017736108 0.2373033465 0.2489403636 0.3307456715 0.2881817208 0.2835443048 0.3007019449 0.2347583918 0.1267273316 0.1792410171 0.1902352664 PC 18:1_22:6 0.6030143338 0.5948022485 0.6603751399 0.4087563843 0.4530424133 0.4078200750 0.3504728877 0.3742316166 0.3418270924 0.2586666136 0.3050056827 0.3661774301 0.2919712962 0.3546661725 0.3217169095 0.1230502483 0.1535046188 0.1503207806 0.1740089948 0.1470494989 0.1752565572 0.1726594495 0.1986298152 0.2069459740 0.2777870436 0.2580439785 0.2947955637 0.2855967186 0.2158921018 0.1173093896 0.2095206784 0.1767861719 PC 18:2_22:5 0.0394490915 0.0331008660 0.0453084383 0.0319549231 0.0361955984 0.0343579082 0.0118007193 0.0105581539 0.0106993123 0.0099097813 0.0118378489 0.0138016146 0.0308402610 0.0282430371 0.0323028556 0.0015788774 0.0061774794 0.0080632457 0.0070003133 0.0121789970 0.0055589706 0.0186223158 0.0225736721 0.0241963840 0.0187959168 0.0150952879 0.0164265763 0.0143768577 0.0176707938 0.0099748104 0.0170788569 0.0196062949 LPC 14:0 0.0054880313 0.0089459977 0.0074221375 0.0053632066 0.0036457795 0.0043510800 0.0117913013 0.0211163079 0.0259515234 0.0280551564 0.0426195558 0.0159004436 0.0034976178 0.0059074502 0.0053788011 0.0052965076 0.0025982531 0.0065640493 0.0072693935 0.0045697085 0.0067731495 0.0133905919 0.0118240502 0.0081692059 0.0051813322 0.0116569801 0.0160570572 0.0116877679 0.0122497280 0.0103358704 0.0090579713 0.0109162578 LPC 16:0 0.5359595285 0.4341979773 0.4758544402 0.2773369200 0.2451936531 0.2340126117 0.7126014579 0.6361646058 0.4522394423 0.3903285800 0.5420332399 0.3916461735 0.2043381683 0.2701478693 0.2214353237 0.1782965643 0.1478353012 0.1021722635 0.1356953462 0.1524338976 0.1946886707 0.2771044278 0.3601774017 0.2690927734 0.2877058527 0.5087624700 0.5978769322 0.4961444761 0.2842899554 0.2248828023 0.2234709158 0.2010979776 LPC 16:1 0.0193994458 0.0134014553 0.0105309528 0.0145194035 0.0121287093 0.0148412337 0.0506686911 0.0386973063 0.0511062895 0.0737903267 0.1397443625 0.0448783014 0.0112462198 0.0147145456 0.0135822239 0.0572828807 0.0123726340 0.0179903573 0.0259218685 0.0229519298 0.0464669562 0.0431723168 0.0431897383 0.0301206878 0.0138999202 0.0170684984 0.0241599941 0.0139104477 0.0304514040 0.0606313931 0.0392756946 0.0486460186 LPC 18:0 1.1784143609 1.0140551473 0.9346909794 0.9625222517 0.7440474082 0.6166449526 1.2698440444 1.3237345222 0.6592142238 0.5691866910 0.6995467498 0.6823960891 0.7792609886 0.8420114372 0.5885249743 0.0424008459 0.0859544560 0.0370017890 0.0592117463 0.0761549166 0.0411245689 0.1550752868 0.1705677597 0.1357717676 0.6603586815 1.0992867157 0.9804326623 0.9171651961 0.2374449086 0.2018241315 0.1531347405 0.0908242665 LPC 18:1 0.2431965484 0.2594258364 0.2558135111 0.1334959225 0.1164329621 0.1052543803 0.5227539718 0.4527345965 0.4160552787 0.4961954505 0.7286356855 0.3253750621 0.1004018210 0.1083629594 0.0991352100 0.0880544382 0.1205271304 0.0740522005 0.1100129733 0.1333486443 0.1295430482 0.1547170394 0.1812409917 0.1344268903 0.1355932910 0.2025776247 0.2201526964 0.1771990926 0.1123731030 0.1781613525 0.1343122709 0.1430949783 LPC 18:2 0.0109875198 0.0129399876 0.0050788626 0.0066275367 0.0061928309 0.0069683645 0.0243586436 0.0289799827 0.0172236163 0.0272356759 0.0498097084 0.0176931166 0.0038862420 0.0057179984 0.0057994894 0.0042400846 0.0202610719 0.0006045408 0.0000000000 0.0038108474 0.0096779906 0.0106818914 0.0089339355 0.0089513639 0.0093979584 0.0067786387 0.0092695076 0.0070914071 0.0069773091 0.0094128492 0.0072121859 0.0062608337 LPC 20:3 0.0084440063 0.0054647497 0.0074221375 0.0058730171 0.0044698255 0.0042307927 0.0173479050 0.0105581539 0.0096407633 0.0170756007 0.0224382920 0.0095043635 0.0030829406 0.0031345654 0.0045975227 0.0021186030 0.0019442711 0.0017828282 0.0020709319 0.0000000000 0.0004843590 0.0021516693 0.0033501108 0.0026071934 0.0043404226 0.0048703665 0.0057382666 0.0053626561 0.0020679126 0.0054791212 0.0058432062 0.0036905967 LPC 20:4 0.0021195945 0.0034947412 0.0046865497 0.0032016100 0.0028217334 0.0042307927 0.0104162774 0.0026514821 0.0046098101 0.0040974026 0.0109386673 0.0099592943 0.0023013500 0.0017567345 0.0045073752 0.0000000000 0.0019619462 0.0011928741 0.0000000000 0.0000000000 0.0004843590 0.0029489884 0.0030187811 0.0018228627 0.0029477131 0.0035886911 0.0049185142 0.0028859557 0.0022549854 0.0040390957 0.0046077854 0.0020825510 LPC 20:5 0.0000000000 0.0000000000 0.0000000000 0.0002222774 0.0003645779 0.0002004787 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0001096795 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0002006385 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 LPC 22:5 0.0000000000 0.0000000000 0.0000000000 0.0017109241 0.0018228897 0.0018167522 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0007924460 0.0012572707 0.0019742303 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0008759588 0.0017450027 0.0010298414 0.0019656453 0.0026482262 0.0042337057 0.0024936351 0.0028202486 0.0048216266 0.0019860223 0.0026947946 LPC 22:6 0.0000000000 0.0000000000 0.0000000000 0.0004465940 0.0004544739 0.0003014094 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0003169784 0.0003771812 0.0006580768 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0006378553 0.0004031177 0.0002389927 0.0007020162 0.0005297592 0.0015260006 0.0009172964 0.0001880840 0.0010466526 0.0007445914 0.0009819623 PI 14:0_16:0 0.0114776747 0.0264991156 0.0212863711 0.0041617507 0.0057450439 0.0055371016 0.0320028351 0.0693834865 0.0359597975 0.0355499571 0.0373753527 0.0710821817 0.0018291488 0.0053528483 0.0043794043 0.0772079991 0.1197735638 0.0737133074 0.1753543732 0.0692421756 0.0968633889 0.0596916915 0.1128860489 0.0830985118 0.0866287474 0.1790781759 0.2111173369 0.2225696878 0.3230100810 0.1641472813 0.2192850382 0.1590966411 PI 14:0_18:1 0.1088007680 0.0663026752 0.1064710568 0.0350446993 0.0408282325 0.0309227315 0.2133130147 0.2641355440 0.1797989877 0.1349753226 0.1927472378 0.2514820870 0.0433492690 0.0570011063 0.0378387163 0.4591298939 0.5459360647 0.4750369095 0.5013091065 0.3269075554 0.5420481871 0.3166186547 0.3989594799 0.3213384664 0.1550105741 0.3002198392 0.4446725530 0.4127524714 0.7379558895 0.8146795988 0.8699677734 0.7634314822 PI 16:0/16:0 0.3149246291 0.3150474800 0.2109036398 0.0575100406 0.0544610502 0.0381605833 0.3940937356 0.4490917447 0.3118916418 0.4092034140 0.6633505445 0.6659057480 0.0263859473 0.2397006977 0.0319227881 0.7059601711 0.7425296216 0.6937256676 0.6938869368 0.2635610663 0.1486380582 0.5172782480 0.7641381043 0.6972544893 0.1443532295 0.2484712004 0.2891632856 0.3195275261 1.0213284680 0.5411689600 0.8672439437 0.7144807362 PI 16:0_16:1 0.1634382940 0.1656469154 0.2109036398 0.0966897191 0.0975022331 0.1055131916 0.2347266764 0.3197833690 0.2756586690 0.3073193589 0.2204558762 0.2938149050 0.0963755486 0.1179766650 0.1076043679 4.8215033422 5.3462132757 5.2194597846 5.4150022121 4.3409425954 6.2864449882 2.2678506900 2.9465049195 2.5799838443 0.3464897749 0.3832718392 0.7503017594 0.7021490590 5.4849121431 6.8467732795 6.9386492517 6.9995603970 PI 16:0_18:1 3.0239404375 2.9944878766 2.9227794748 1.3477906766 1.4054843170 1.2819018346 4.2461055668 3.5701528981 3.7146222520 3.4260408067 4.1477183521 4.7297664591 1.2247423126 1.5447752096 1.2770981470 17.3956515411 18.3029308705 17.0338721798 17.7979040849 22.3043832777 20.7695163566 9.2639048855 10.4492390133 9.6905078255 2.7735991685 3.5658933285 4.6014535429 4.3415168627 12.4796704229 13.0386907324 13.7865972060 13.4332453344 PI 16:0_18:2 0.1577468850 0.1556576051 0.1659004096 0.1033509541 0.0996108558 0.1003036777 0.1171397890 0.1248780117 0.1276274803 0.1066835519 0.1480664060 0.1958823059 0.0843536974 0.0858763961 0.0916491946 0.3401653737 0.4653044195 0.4684167846 0.5093345275 0.3874439508 0.6414643932 0.5438953902 0.5990909028 0.5543915279 0.2411182211 0.2312771784 0.3144083825 0.2563361395 0.9051058793 0.8178443295 0.7808014210 0.9650980778 PI 16:0_20:3 0.5150535396 0.4269936194 0.6201507843 0.3908557267 0.3773752526 0.4208293857 0.3870460524 0.3985181429 0.5274567210 0.5304285993 0.6359354297 0.5110689114 0.3283555711 0.3863218297 0.3585149942 0.8875658672 0.8132467284 0.9348779234 0.8880676997 0.9284328852 1.1664495943 0.7914357195 0.8048870973 0.8012165251 0.6318342954 0.4317013593 0.6427138168 0.6278969481 1.5554324975 1.0611585680 1.2172114112 1.1994208928 PI 16:0_20:4 0.7616622898 0.8144690879 0.8804325328 0.4792860337 0.5373868138 0.5196854930 0.5470955251 0.7588186473 0.3461825869 0.3839597449 0.5348654314 0.4413767241 0.3718778911 0.3119842420 0.5215057624 1.0691459851 1.2552145027 1.0590746387 1.2349896522 1.3526651855 1.4681240711 2.4806103593 2.5887247777 2.5809160936 1.0573296224 0.8957918880 1.2612617265 1.2115672292 6.2075044591 2.5999480400 3.9406225212 3.4724939189 PI 16:0_22:2 0.0057293517 0.0099344240 0.0094632228 0.0071049927 0.0027225509 0.0093251362 0.0071182777 0.0000000000 0.0269549477 0.0229028620 0.0236123520 0.0141993287 0.0067905202 0.0093160868 0.0043721467 0.0732817351 0.0832340347 0.1437003169 0.0990913577 0.1996635785 0.1867203443 0.0386194092 0.0355731379 0.0380258790 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 PI 16:0_22:4 0.1029955308 0.1258872648 0.1963050310 0.1018087536 0.1135536470 0.0889009204 0.0957731903 0.1111423502 0.0494695557 0.0584191384 0.0629314839 0.1137571522 0.0736297285 0.0783115730 0.0857394871 0.1351811415 0.1196533447 0.1797079825 0.1766883574 0.1774950624 0.2237748729 0.2759805496 0.2569678001 0.2319028235 0.0971348048 0.1831499572 0.2376005227 0.1927876937 0.2946883419 0.1611286150 0.2494257771 0.2477560603 PI 16:0_22:5 0.4297013765 0.4373342021 0.3904461435 0.1263841756 0.1350140494 0.1297672428 0.1886049435 0.1942308382 0.1348492408 0.1066835519 0.1632644116 0.1095743379 0.0943015327 0.1076971029 0.1295947003 0.2895459832 0.3542927052 0.3706477138 0.3568945601 0.3934131039 0.4271272082 0.6931296606 0.4815758699 0.5911898680 0.2466822291 0.3001396374 0.3432882967 0.3566535815 1.2201625952 0.3344876973 0.6187223888 0.4301996818 PI 16:0_22:6 0.1632485803 0.2185573284 0.1890292474 0.0516365367 0.0471761700 0.0411001755 0.1136100645 0.0924857653 0.0541532697 0.0432123116 0.0907314409 0.0877621161 0.0365362522 0.0423326384 0.0501163927 0.3198050731 0.2497021042 0.2968485166 0.2857200489 0.2995412844 0.3499790829 0.3672352892 0.3162839020 0.3272110189 0.1233243048 0.2064454817 0.2169171546 0.2382802984 0.9810831475 0.3959613751 0.5696767088 0.4296153357 PI 16:1_18:1 0.4030466112 0.4565444143 0.4664184955 0.5634085637 0.5943587501 0.5879155337 0.7094746158 0.6944480640 0.7251561383 0.6424168582 0.7129038699 0.7552802578 0.4789099187 0.6015833357 0.5874301041 9.8449854703 9.9484330857 10.6159385388 10.1215942725 8.9417729321 13.0939520169 5.6042409395 5.3934254456 5.1316137033 0.9349382555 0.6745460982 1.2495958831 1.0747323556 7.1184298738 16.8990585267 12.8848197899 14.1347159725 PI 16:1_20:3 0.0085845418 0.0298032721 0.0047276913 0.0169130953 0.0178921954 0.0207278935 0.0248963232 0.0138889613 0.0135097582 0.0127144565 0.0196726115 0.0128863185 0.0164744527 0.0167734418 0.0209950133 0.0539701435 0.0468854418 0.0677869081 0.0519608357 0.0803539836 0.0733796808 0.0487028058 0.0489520607 0.0520212144 0.0787197873 0.0289096473 0.0579054859 0.0557174856 0.1332802937 0.2002641625 0.1829431215 0.2287413016 PI 16:1_20:4 0.0000000000 0.0231949591 0.0189264456 0.0171580951 0.0172742546 0.0166460929 0.0000117657 0.0000306600 0.0105097972 0.0229028620 0.0157198255 0.0154952313 0.0154084587 0.0104337555 0.0153631658 0.0810575283 0.0597418118 0.0517849694 0.0422464186 0.0360353179 0.0801982445 0.1010346261 0.0831700432 0.0875046654 0.0393767033 0.0347026816 0.0847792987 0.0912530040 0.3798863406 0.3863405936 0.3347575577 0.4021577822 PI 16:1_22:1 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0057745262 0.0061904447 0.0050637505 0.0000000000 0.0121720414 0.0017470465 0.0062934754 PI 16:1_22:4 0.0031801292 0.0063599753 0.0008754998 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0028709157 0.0036632621 0.0018776281 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0133907507 0.0156206631 0.0114250791 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 PI 16:1_22:5 0.0058799940 0.0066508890 0.0046673998 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0073027511 0.0052145415 0.0046966622 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0240388176 0.0193211375 0.0193638858 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 PI 16:1_18:0 1.0072845292 1.2677642321 1.0191585180 0.8299788379 0.7683933545 0.6752461592 1.5871523677 1.4792816862 1.9092268420 1.7024741406 1.8367409371 2.2136839016 0.8126889073 0.9699135955 0.7273792340 4.5169557053 5.4536113459 5.2867643882 5.4381371556 4.5641062704 7.0561635810 3.5426602447 4.7398977403 4.2016694669 1.5561404208 1.8708477856 2.4711990388 2.8179122384 4.6976324578 6.8869215408 5.8062672755 5.9593100282 PI 18:0_18:1 16.8510857074 17.2724616229 15.1119592556 16.2345190175 14.9314664512 14.1623887725 29.2505912583 27.0739699097 30.1291448447 27.8173698842 30.6155603182 29.4407641429 18.2584785049 21.9583454482 15.7532790452 17.0114659698 16.5630071743 16.0029297687 15.9838738524 20.9521864411 17.2483691670 17.3049740760 20.7710798540 19.0875039774 14.1127869814 21.0876628605 21.0417187641 19.5418977476 8.4464090621 10.0212416729 9.8243459139 9.6459097279 PI 18:0_18:2 2.9765120295 3.0493741972 3.1658282790 2.1557438747 2.2744324921 2.1719218254 2.7343245819 2.5523955699 3.2800749196 3.4049482812 3.3290807183 3.4017656865 2.4982382762 2.2320564508 2.3277715556 2.2814535311 1.6278370819 1.7124452931 1.6109526557 2.4931866709 2.2018932510 1.8948416479 1.9819117086 1.9297252351 2.4437257741 2.8117007201 2.6532974248 2.6353575405 1.3042484161 1.4660201398 1.2488982583 1.2798658825 PI 18:0_20:2 3.8937584689 4.1767172667 3.8063638017 2.9256993964 2.6164035479 2.8202400835 6.1193185702 5.5662541778 8.4689097998 8.2466806638 7.7972682596 8.0208928581 2.6870230450 4.2960472014 2.1821128189 3.3327203075 2.2105460421 2.7986214812 2.2058880879 4.4639622485 3.1114255534 1.3951085100 1.2057535361 1.1666876449 3.3577107486 3.8157341280 3.5321750515 3.0958423525 0.8431472255 1.4197176943 1.0666305127 1.1512089753 PI 18:0_20:3 16.1892033023 16.2650012547 15.8114929155 24.0892012612 22.4772821984 24.3484476591 14.4362906502 13.9652432576 18.0145473275 21.7138834707 18.3210587152 17.1880051427 23.8708590492 27.9836500201 25.3913690796 4.0399593919 3.6765116666 3.8841369782 3.8550959675 5.3327311529 4.3303847189 6.0311316200 5.8554859678 6.4197457648 18.2810694797 12.8388385256 12.8513830480 12.4488979120 4.5141877687 2.7953141730 3.2488534937 3.1975355368 PI 18:0_20:4 25.9034234299 24.6416746563 25.8634661582 29.8513373968 31.9992927386 33.0463355969 15.8823952287 18.0569373829 11.4876851352 12.8599569982 12.4276635271 12.9217312899 31.3167492759 19.6707793621 32.8634476559 4.4541994271 4.9825859124 5.1043673929 4.8205562660 7.3024414663 5.6094898051 20.5676940213 18.3194847198 20.1511865722 30.0814732148 25.1035373785 23.1003759752 24.7430998690 17.8215254528 7.7420317922 11.4203426879 9.6387766746 PI 18:0_22:4 3.9650149091 4.1933148901 4.4454410317 5.5730936797 5.3866161764 4.4922901561 3.0625183619 3.1379088007 2.0289024389 1.7050843933 1.9261678281 2.1298993084 4.4109741556 4.2838626496 3.7208243835 0.4482207630 0.4539826107 0.6243332801 0.6524581214 0.8310714070 0.7238397156 1.8272072649 1.6756885100 1.7376385804 3.1071706952 4.3906634795 3.3679197120 3.4706816149 0.7020687543 0.3621231000 0.5999569880 0.4969494779 PI 18:0_22:5 8.3397164066 8.0484202729 8.7042049011 3.2189803221 3.4064749885 2.7127739282 4.8532534706 5.8221728529 3.6252343409 3.2552208211 3.7225199024 4.0446616790 2.5328432795 2.4285867258 2.2484643185 1.2852823419 1.2304635153 1.3464752724 1.2704962233 1.6740903034 1.4935472572 1.7303885069 1.3196291321 1.4840914934 3.6902568840 4.9790667255 3.8139958738 4.3501430915 1.4867361148 0.5381308185 0.8158260759 0.7197734349 PI 18:0_22:6 3.7866651237 3.6466251829 4.2227612853 1.4540954191 1.5874739063 1.2041456599 2.6037600743 3.0506658883 1.7359045913 1.4928961132 1.9933521445 2.1474346240 0.9579193417 1.0384647242 0.7644258421 0.7906242350 0.8153682417 0.9577378359 0.8326535662 0.9701985900 1.0852125411 0.8749343105 0.6657364349 0.6826407464 2.8051257457 4.2614954715 3.3749576186 3.8363671745 1.4335584933 0.6928423333 0.9045068275 0.9688795364 PI 18:1/18:1 4.3329644984 4.4434867391 4.3105097439 4.1342328642 4.3214627638 4.3447114200 6.6922399125 6.0214625843 7.0468786126 6.2511088311 5.4556078325 5.7712444518 4.5625408514 5.4655870890 4.6639929560 18.1412580261 17.8100326359 17.3001306979 18.3276517979 3.7173130326 3.0379077331 11.7948313941 10.0473737794 11.1304001867 4.9310138648 4.5387220850 5.2151153048 5.1423603667 8.2467602000 13.6296384728 11.2173057406 12.4908158581 PI 18:1_18:2 0.5520476978 0.6037275715 0.5652687963 0.4604583708 0.5214276897 0.4945636727 0.5316941607 0.7448836960 0.6208031899 0.4403412021 0.4252571545 0.4712979602 0.4855715159 0.4830852166 0.5281370762 1.3121395223 1.0480133797 1.2097122122 0.9687522272 1.0138376906 1.3979713281 1.1580680216 0.9277635640 0.9476940785 0.6253205398 0.4602346753 0.6038166376 0.5501959688 1.0332908464 1.5560737708 1.1721398434 1.3104130824 PI 18:1_20:1 0.5899904242 0.5696980528 0.6060382731 0.4139757527 0.4032505212 0.4001536744 1.1893641872 1.1004932268 1.4860088325 1.1762135254 1.1394590515 1.0640515039 0.5794438822 0.9986533820 0.5306025647 2.3659129689 1.9666003104 2.3196468527 1.9858452444 2.4720283191 2.5538504910 1.1573420170 0.8884714555 0.8652912752 0.5567285919 0.7091007150 0.6696207336 0.6129978361 0.5527136106 1.2068725098 0.9116959518 0.9231259028 PI 18:1_20:3 1.4303459286 1.4313254673 1.5797388245 1.8145281801 1.8020568642 1.9772149138 1.2389332843 1.3413731921 1.6539520140 1.6899280875 1.5171914555 1.1966783664 1.4055996163 2.0219337913 1.7348474971 1.1842737652 1.0869219318 1.1410135504 1.0370382324 1.3655126396 1.4852478385 1.4845583217 1.2187008808 1.2439939971 1.8203887779 1.1424924805 1.5670630736 1.3940570071 1.3486838021 1.2161135237 1.3211020727 1.4083951738 PI 18:1_20:4 2.4254887853 2.6191752167 2.6421757102 2.3998520526 2.7065948189 2.7441943224 1.5413130128 1.9944303119 1.3445189495 1.4693196376 1.2334518669 1.1804261227 1.8797575552 1.7005185184 2.2920313038 1.5436484175 1.7163041826 1.7739556356 1.8030302419 1.8036025584 2.0444639976 4.2946144246 3.9395064542 3.9955256360 3.4801273301 2.3940963613 2.9268025267 2.9868175318 6.6350721933 4.3630633659 5.0852003335 5.4072976777 PI 18:1_20:5 0.1575571714 0.1358985297 0.1702909686 0.0580016626 0.0678099762 0.0478336003 0.1354119959 0.0832264578 0.0720636329 0.1044858876 0.1200772894 0.0787335670 0.0339595232 0.0315853563 0.0416375177 0.1278657571 0.0470127326 0.0958530665 0.0925290162 0.0970676122 0.1299063475 0.0624061419 0.0593728236 0.0604477900 0.1469167075 0.1579357599 0.1737959072 0.2023065708 0.3032624574 0.1397350351 0.2718248113 0.2391117670 PI 18:1_22:4 0.4638498303 0.5038564227 0.4900177504 0.3678208827 0.4892345782 0.3598594226 0.2628468145 0.3285214572 0.1663885660 0.1042248623 0.1751227696 0.1291540147 0.3121753050 0.3702492671 0.3446251081 0.1735485421 0.2216274128 0.1995287158 0.2485083448 0.2190220011 0.2486510267 0.4249113097 0.3374916526 0.3255103982 0.3461787956 0.3484951252 0.3475123648 0.3212560179 0.2701299024 0.1944410579 0.2405007694 0.2121646768 PI 18:1_22:5 0.6042379180 0.6300949599 0.7683478326 0.3293705246 0.3876134084 0.3101936504 0.3262641973 0.4526942899 0.2821155387 0.2614462736 0.1965956598 0.2155560746 0.2794764582 0.2484803782 0.2730803236 0.2354479484 0.4356173780 0.3567732005 0.3232760070 0.4264730286 0.4387309227 0.5667826839 0.3950728103 0.4024209696 0.5512486323 0.4083318023 0.4984599034 0.5216880272 0.6580859988 0.3893787351 0.4151998406 0.4472397535 PI 18:1_22:6 0.3605033292 0.2350232246 0.3027917683 0.1469917373 0.1520716235 0.1378960558 0.2413154954 0.1670967748 0.1138395801 0.0610041305 0.0984739441 0.1146852409 0.1013196149 0.1148951327 0.1063726604 0.2008661313 0.2008648702 0.2009822363 0.1932125486 0.1993146127 0.2482642363 0.2685107693 0.1992596351 0.2133467326 0.2468923502 0.2793180285 0.3057152768 0.3065435504 0.4160967833 0.2675414697 0.2839648311 0.3208866479 PI 18:2_22:5 0.0046485052 0.0012138123 0.0037919000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0026148002 0.0031006897 0.0034359246 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0139957545 0.0063244696 0.0104974678 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name metaboite name (ID in Analyst file) formula exactmass super_class main_class sub_class PE 14:0/14:0 14:0/14:0 C33H66NO8P 635.452600 Glycerophospholipids Glycerophosphoethanolamines PE PE 14:0_16:0 14:0/16:0 C35H70NO8P 663.483900 Glycerophospholipids Glycerophosphoethanolamines PE PE 14:0_18:1 14:0/18:1 C37H72NO8P 689.499600 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0/16:0 16:0/16:0 C37H74NO8P 691.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_16:1 16:0/16:1 C37H72NO8P 689.499600 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_18:0 16:0/18:0 C39H78NO8P 719.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_18:1 16:0/18:1 C39H76NO8P 717.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_18:2 16:0/18:2 C39H74NO8P 715.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_20:3 16:0/20:3 C41H76NO8P 741.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_20:4 16:0/20:4 C41H74NO8P 739.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_22:2 16:0/22:2 C43H82NO8P 771.577800 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_22:4 16:0/22:4 C43H78NO8P 767.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_22:5 16:0/22:5 C43H76NO8P 765.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:0_22:6 16:0/22:6 C43H74NO8P 763.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_18:1 16:1/18:1 C39H74NO8P 715.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_20:3 16:1/20:3 C41H74NO8P 739.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_20:4 16:1/20:4 C41H72NO8P 737.499600 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_22:1 16:1/22:1 C43H82NO8P 771.577800 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_22:4 16:1/22:4 C43H76NO8P 765.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_22:5 16:1/22:5 C43H74NO8P 763.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 16:1_18:0 18:0/16:1 C39H76NO8P 717.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0/18:0 18:0/18:0 C41H82NO8P 747.577800 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_18:1 18:0/18:1 C41H80NO8P 745.562200 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_18:2 18:0/18:2 C41H78NO8P 743.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_20:2 18:0/20:2 C43H82NO8P 771.577800 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_20:3 18:0/20:3 C43H80NO8P 769.562200 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_20:4 18:0/20:4 C43H78NO8P 767.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_22:4 18:0/22:4 C45H82NO8P 795.577800 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_22:5 18:0/22:5 C45H80NO8P 793.562200 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:0_22:6 18:0/22:6 C45H78NO8P 791.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1/18:1 18:1/18:1 C41H78NO8P 743.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_18:2 18:1/18:2 C41H76NO8P 741.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_20:1 18:1/20:1 C43H82NO8P 771.577800 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_20:3 18:1/20:3 C43H78NO8P 767.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_20:4 18:1/20:4 C43H76NO8P 765.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_20:5 18:1/20:5 C43H74NO8P 763.515200 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_22:4 18:1/22:4 C45H80NO8P 793.562200 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_22:5 18:1/22:5 C45H78NO8P 791.546500 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:1_22:6 18:1/22:6 C45H76NO8P 789.530900 Glycerophospholipids Glycerophosphoethanolamines PE PE 18:2_22:5 18:2/22:5 C45H76NO8P 789.530900 Glycerophospholipids Glycerophosphoethanolamines PE LPE 14:0 14:0-LPL C19H40NO7P 425.254200 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 16:0 16:0-LPL C21H44NO7P 453.285500 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 16:1 16:1-LPL C21H42NO7P 451.269900 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 18:0 18:0-LPL C23H48NO7P 481.316800 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 18:1 18:1-LPL C23H46NO7P 479.301200 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 18:2 18:2-LPL C23H44NO7P 477.285500 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 20:3 20:3-LPL C25H46NO7P 503.301200 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 20:4 20:4-LPL C25H44NO7P 501.285500 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 20:5 20:5-LPL C25H42NO7P 499.269900 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 22:5 22:5-LPL C27H46NO7P 527.301200 Glycerophospholipids Glycerophosphoethanolamines LPE LPE 22:6 22:6-LPL C27H44NO7P 525.285500 Glycerophospholipids Glycerophosphoethanolamines LPE PC 14:0/14:0 14:0/14:0 C36H72NO8P 677.499600 Glycerophospholipids Glycerophosphocholines PC PC 14:0_16:0 14:0/16:0 C38H76NO8P 705.530900 Glycerophospholipids Glycerophosphocholines PC PC 14:0_16:1 14:0/16:1 C38H74NO8P 703.515200 Glycerophospholipids Glycerophosphocholines PC PC 16:0/16:0 16:0/16:0 C40H80NO8P 733.562200 Glycerophospholipids Glycerophosphocholines PC PC 14:0_18:1 14:0/18:1 C40H78NO8P 731.546500 Glycerophospholipids Glycerophosphocholines PC PC 16:0_16:1 16:0/16:1 C40H78NO8P 731.546500 Glycerophospholipids Glycerophosphocholines PC PC 16:1/16:1 16:1/16:1 C40H76NO8P 729.530900 Glycerophospholipids Glycerophosphocholines PC PC 14:0_18:2 14:0/18:2 C40H76NO8P 729.530900 Glycerophospholipids Glycerophosphocholines PC PC 16:0_18:1 16:0/18:1 C42H82NO8P 759.577800 Glycerophospholipids Glycerophosphocholines PC PC 16:1_18:0 18:0/16:1 C42H82NO8P 759.577800 Glycerophospholipids Glycerophosphocholines PC PC 16:0_18:2 16:0/18:2 C42H80NO8P 757.562200 Glycerophospholipids Glycerophosphocholines PC PC 16:1_18:1 16:1/18:1 C42H80NO8P 757.562200 Glycerophospholipids Glycerophosphocholines PC PC 18:0_18:1 18:0/18:1 C44H86NO8P 787.609100 Glycerophospholipids Glycerophosphocholines PC PC 18:1/18:1 18:1/18:1 C44H84NO8P 785.593500 Glycerophospholipids Glycerophosphocholines PC PC 18:0_18:2 18:0/18:2 C44H84NO8P 785.593500 Glycerophospholipids Glycerophosphocholines PC PC 16:0_20:3 16:0/20:3 C44H82NO8P 783.577800 Glycerophospholipids Glycerophosphocholines PC PC 18:1_18:2 18:1/18:2 C44H82NO8P 783.577800 Glycerophospholipids Glycerophosphocholines PC PC 16:0_20:4 16:0/20:4 C44H80NO8P 781.562200 Glycerophospholipids Glycerophosphocholines PC PC 16:1_20:4 16:1/20:4 C44H78NO8P 779.546500 Glycerophospholipids Glycerophosphocholines PC PC 16:1_20:3 16:1/20:3 C44H80NO8P 781.562200 Glycerophospholipids Glycerophosphocholines PC PC 18:1_20:1 18:1/20:1 C46H88NO8P 813.624800 Glycerophospholipids Glycerophosphocholines PC PC 18:0_20:2 18:0/20:2 C46H88NO8P 813.624800 Glycerophospholipids Glycerophosphocholines PC PC 16:0_22:2 16:0/22:2 C46H88NO8P 813.624800 Glycerophospholipids Glycerophosphocholines PC PC 16:0_22:4 16:0/22:4 C46H84NO8P 809.593500 Glycerophospholipids Glycerophosphocholines PC PC 16:1_22:4 16:1/22:4 C46H82NO8P 807.577800 Glycerophospholipids Glycerophosphocholines PC PC 16:1_22:1 16:1/22:1 C46H88NO8P 813.624800 Glycerophospholipids Glycerophosphocholines PC PC 18:0_20:3 18:0/20:3 C46H86NO8P 811.609100 Glycerophospholipids Glycerophosphocholines PC PC 18:0_20:4 18:0/20:4 C46H84NO8P 809.593500 Glycerophospholipids Glycerophosphocholines PC PC 18:1_20:3 18:1/20:3 C46H84NO8P 809.593500 Glycerophospholipids Glycerophosphocholines PC PC 18:1_20:4 18:1/20:4 C46H82NO8P 807.577800 Glycerophospholipids Glycerophosphocholines PC PC 16:0_22:5 16:0/22:5 C46H82NO8P 807.577800 Glycerophospholipids Glycerophosphocholines PC PC 18:1_20:5 18:1/20:5 C46H80NO8P 805.562200 Glycerophospholipids Glycerophosphocholines PC PC 16:0_22:6 16:0/22:6 C46H80NO8P 805.562200 Glycerophospholipids Glycerophosphocholines PC PC 16:1_22:5 16:1/22:5 C46H80NO8P 805.562200 Glycerophospholipids Glycerophosphocholines PC PC 18:0_22:5 18:0/22:5 C48H86NO8P 835.609100 Glycerophospholipids Glycerophosphocholines PC PC 18:0_22:4 18:0/22:4 C48H88NO8P 837.624800 Glycerophospholipids Glycerophosphocholines PC PC 18:1_22:4 18:1/22:4 C48H86NO8P 835.609100 Glycerophospholipids Glycerophosphocholines PC PC 18:0_22:6 18:0/22:6 C48H84NO8P 833.593500 Glycerophospholipids Glycerophosphocholines PC PC 18:1_22:5 18:1/22:5 C48H84NO8P 833.593500 Glycerophospholipids Glycerophosphocholines PC PC 18:1_22:6 18:1/22:6 C48H82NO8P 831.577800 Glycerophospholipids Glycerophosphocholines PC PC 18:2_22:5 18:2/22:5 C48H82NO8P 831.577800 Glycerophospholipids Glycerophosphocholines PC LPC 14:0 14:0-LPL C22H46NO7P 467.301200 Glycerophospholipids Glycerophosphocholines LPC LPC 16:0 16:0-LPL C24H50NO7P 495.332500 Glycerophospholipids Glycerophosphocholines LPC LPC 16:1 16:1-LPL C24H48NO7P 493.316800 Glycerophospholipids Glycerophosphocholines LPC LPC 18:0 18:0-LPL C26H54NO7P 523.363800 Glycerophospholipids Glycerophosphocholines LPC LPC 18:1 18:1-LPL C26H52NO7P 521.348100 Glycerophospholipids Glycerophosphocholines LPC LPC 18:2 18:2-LPL C26H50NO7P 519.332500 Glycerophospholipids Glycerophosphocholines LPC LPC 20:3 20:3-LPL C28H52NO7P 545.348100 Glycerophospholipids Glycerophosphocholines LPC LPC 20:4 20:4-LPL C28H50NO7P 543.332500 Glycerophospholipids Glycerophosphocholines LPC LPC 20:5 20:5-LPL C28H48NO7P 541.316800 Glycerophospholipids Glycerophosphocholines LPC LPC 22:5 22:5-LPL C30H52NO7P 569.348100 Glycerophospholipids Glycerophosphocholines LPC LPC 22:6 22:6-LPL C30H50NO7P 567.332500 Glycerophospholipids Glycerophosphocholines LPC PI 14:0_16:0 14:0/16:0 C39H75O13P 782.494500 Glycerophospholipids Glycerophosphoinositols PI PI 14:0_18:1 14:0/18:1 C41H77O13P 808.510200 Glycerophospholipids Glycerophosphoinositols PI PI 16:0/16:0 16:0/16:0 C41H79O13P 810.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_16:1 16:0/16:1 C41H77O13P 808.510200 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_18:1 16:0/18:1 C43H81O13P 836.541500 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_18:2 16:0/18:2 C43H79O13P 834.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_20:3 16:0/20:3 C45H81O13P 860.541500 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_20:4 16:0/20:4 C45H79O13P 858.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_22:2 16:0/22:2 C47H87O13P 890.588400 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_22:4 16:0/22:4 C47H83O13P 886.557100 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_22:5 16:0/22:5 C47H81O13P 884.541500 Glycerophospholipids Glycerophosphoinositols PI PI 16:0_22:6 16:0/22:6 C47H79O13P 882.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_18:1 16:1/18:1 C43H79O13P 834.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_20:3 16:1/20:3 C45H79O13P 858.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_20:4 16:1/20:4 C45H77O13P 856.510200 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_22:1 16:1/22:1 C47H87O13P 890.588400 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_22:4 16:1/22:4 C47H81O13P 884.541500 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_22:5 16:1/22:5 C47H79O13P 882.525800 Glycerophospholipids Glycerophosphoinositols PI PI 16:1_18:0 18:0/16:1 C43H81O13P 836.541500 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_18:1 18:0/18:1 C45H85O13P 864.572800 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_18:2 18:0/18:2 C45H83O13P 862.557100 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_20:2 18:0/20:2 C47H87O13P 890.588400 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_20:3 18:0/20:3 C47H85O13P 888.572800 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_20:4 18:0/20:4 C47H83O13P 886.557100 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_22:4 18:0/22:4 C49H87O13P 914.588400 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_22:5 18:0/22:5 C49H85O13P 912.572800 Glycerophospholipids Glycerophosphoinositols PI PI 18:0_22:6 18:0/22:6 C49H83O13P 910.557100 Glycerophospholipids Glycerophosphoinositols PI PI 18:1/18:1 18:1/18:1 C45H83O13P 862.557100 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_18:2 18:1/18:2 C45H81O13P 860.541500 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_20:1 18:1/20:1 C47H87O13P 890.588400 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_20:3 18:1/20:3 C47H83O13P 886.557100 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_20:4 18:1/20:4 C47H81O13P 884.541500 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_20:5 18:1/20:5 C47H79O13P 882.525800 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_22:4 18:1/22:4 C49H85O13P 912.572800 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_22:5 18:1/22:5 C49H83O13P 910.557100 Glycerophospholipids Glycerophosphoinositols PI PI 18:1_22:6 18:1/22:6 C49H81O13P 908.541500 Glycerophospholipids Glycerophosphoinositols PI PI 18:2_22:5 18:2/22:5 C49H81O13P 908.541500 Glycerophospholipids Glycerophosphoinositols PI METABOLITES_END #END