#METABOLOMICS WORKBENCH akoeberle_20240527_111947 DATATRACK_ID:4866 STUDY_ID:ST003256 ANALYSIS_ID:AN005338 PROJECT_ID:PR002015 VERSION 1 CREATED_ON June 11, 2024, 12:48 pm #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 redox-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 treated with DMSO or RSL3 (1 or 10 µM) for ST:STUDY_SUMMARY 2 h, 4 h, 6 h or 24 h. The cell pellets were collected and analyzed for their ST:STUDY_SUMMARY oxidized phospholipid profile by UPLC-MS/MS. Please note that one sample set was ST:STUDY_SUMMARY measured three times with the same sample-ID, but with different methods (Ox-PE, ST:STUDY_SUMMARY Ox-PC, Ox-PI), therefore each sub-class has their own raw-data file marked by ST:STUDY_SUMMARY their corresponding abbreviation (Ox-PE, Ox-PC, Ox-PI; e.g. ST:STUDY_SUMMARY "210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff", ST:STUDY_SUMMARY "210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff" or ST:STUDY_SUMMARY "210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff"). 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 - 210514_MDA_ZEB1_n1_2h_WT_DMSO_1 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_WT_RSL3_1_uM_2 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_WT_RSL3_10_uM_3 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-Ctrl_DMSO_4 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-Ctrl_RSL3_1_uM_5 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-Ctrl_RSL3_10_uM_6 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-ZEB1_DMSO_7 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-ZEB1_RSL3_1_uM_8 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n1_2h_sh-ZEB1_RSL3_10_uM_9 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_WT_DMSO_10 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_WT_RSL3_1_uM_11 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_WT_RSL3_10_uM_12 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-Ctrl_DMSO_13 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-Ctrl_RSL3_1_uM_14 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-Ctrl_RSL3_10_uM_15 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-ZEB1_DMSO_16 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-ZEB1_RSL3_1_uM_17 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n2_2h_sh-ZEB1_RSL3_10_uM_18 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_WT_DMSO_19 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_WT_RSL3_1_uM_20 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_WT_RSL3_10_uM_21 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-Ctrl_DMSO_22 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-Ctrl_RSL3_1_uM_23 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-Ctrl_RSL3_10_uM_24 Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-ZEB1_DMSO_25 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-ZEB1_RSL3_1_uM_26 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210514_MDA_ZEB1_n3_2h_sh-ZEB1_RSL3_10_uM_27 Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210514_MDA_ZEB1_oxPE_dil_UD_std_1ul_JZ_oxPE_MRM_003.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=210514_MDA_ZEB1_oxPC_dil_UD_std_1ul_JZ_oxPC_MRM_002.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=210514_MDA_ZEB1_oxPI_dil_UD_std_1ul_JZ_oxPI_MRM_001.wiff SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_2h_DMSO_1 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_2h_RSL3_1uM_2 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_4h_DMSO_3 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_4h_RSL3_1uM_4 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_6h_DMSO_5 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_6h_RSL3_1uM_6 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_24h_DMSO_7 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_24h_RSL3_1uM_8 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_4h_DMSO_19 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_4h_RSL3_1uM_20 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_6h_DMSO_21 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_6h_RSL3_1uM_22 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_24h_DMSO_23 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_24h_RSL3_1uM_24 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_2h_DMSO_37 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_2h_RSL3_1uM_38 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_2h_RSL3_10uM_39 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_4h_DMSO_40 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_4h_RSL3_1uM_41 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_4h_RSL3_10uM_42 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_6h_DMSO_43 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_6h_RSL3_1uM_44 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_6h_RSL3_10uM_45 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_24h_DMSO_46 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_24h_RSL3_1uM_47 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_24h_RSL3_10uM_48 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_2h_DMSO_61 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_2h_RSL3_10uM_62 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_4h_RSL3_10uM_63 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_6h_RSL3_10uM_64 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_24h_DMSO_65 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_24h_RSL3_10uM_66 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_2h_DMSO_73 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_2h_RSL3_10uM_74 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_4h_RSL3_10uM_75 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:4 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_6h_RSL3_10uM_76 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:6 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_24h_DMSO_77 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_24h_RSL3_10uM_78 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:24 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_2h_DMSO_17 Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_2h_RSL3_1uM_18 Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=210317_MDA_ZEB1_pre_oxPE_dil_UD_std_1ul_JZ_oxPE001_WT.wiff; RAW_FILE_NAME(Raw file name for Ox-PC)=-; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_2h_DMSO_17_correct Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=-; RAW_FILE_NAME(Raw file name for Ox-PC)=210321_MDA_ZEB1_pre_oxPC_dil_UD_std_1ul_JZ.wiff; RAW_FILE_NAME(Raw file name for Ox-PI)=- SUBJECT_SAMPLE_FACTORS - 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_2h_RSL3_1uM_18_correct Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h RAW_FILE_NAME(Raw file name for Ox-PE)=-; RAW_FILE_NAME(Raw file name for Ox-PC)=210321_MDA_ZEB1_pre_oxPC_dil_UD_std_1ul_JZ.wiff; RAW_FILE_NAME(Raw file name for Ox-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 Breast cancer cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Brest cancer cells (MDA-MB-231 cells) for oxPE, oxPC, oxPI: Human breast cancer TR:TREATMENT_SUMMARY MDA-MB-231 wildtype (WT) cells and the stably transduced MDA-MB-231 shZeb1 TR:TREATMENT_SUMMARY (stable Zeb1 knockdown) and shCtrl cell lines (control cell line for the stable TR:TREATMENT_SUMMARY Zeb1 knockdown) (Spaderna et al. 2008, DOI: 10.1158/0008-5472.CAN-07-5682) were TR:TREATMENT_SUMMARY treated with vehicle (DMSO) or RSL3 (1 and 10 µM) for 2 h, 4 h, 6 h, 24 h or 48 TR:TREATMENT_SUMMARY h at 37°C and 5% CO2. #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 90% Water, 10% Acetonitrile; 2 mM ammonium acetate CH:SOLVENT_B 5% Water, 95% Acetonitrile; 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). Oxidized MS:MS_COMMENTS phospholipid species were identified by the fragmentation of [M-H]- (Ox-PE, MS:MS_COMMENTS Ox-PI) or [M+OAc]- (Ox-PC) to the saturated fatty acid anion (16:0 and 18:0) and MS:MS_COMMENTS either the PUFA anion (20:4 and 22:4) with one to three oxygen incorporated or a MS:MS_COMMENTS secondary fragment. Oxidized phospholipids were quantified based on the most MS:MS_COMMENTS intensive, specific transition to the oxidized fatty acid anions. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS absolute intensities MS_METABOLITE_DATA_START Samples 210514_MDA_ZEB1_n1_2h_WT_DMSO_1 210514_MDA_ZEB1_n1_2h_WT_RSL3_1_uM_2 210514_MDA_ZEB1_n1_2h_WT_RSL3_10_uM_3 210514_MDA_ZEB1_n1_2h_sh-Ctrl_DMSO_4 210514_MDA_ZEB1_n1_2h_sh-Ctrl_RSL3_1_uM_5 210514_MDA_ZEB1_n1_2h_sh-Ctrl_RSL3_10_uM_6 210514_MDA_ZEB1_n1_2h_sh-ZEB1_DMSO_7 210514_MDA_ZEB1_n1_2h_sh-ZEB1_RSL3_1_uM_8 210514_MDA_ZEB1_n1_2h_sh-ZEB1_RSL3_10_uM_9 210514_MDA_ZEB1_n2_2h_WT_DMSO_10 210514_MDA_ZEB1_n2_2h_WT_RSL3_1_uM_11 210514_MDA_ZEB1_n2_2h_WT_RSL3_10_uM_12 210514_MDA_ZEB1_n2_2h_sh-Ctrl_DMSO_13 210514_MDA_ZEB1_n2_2h_sh-Ctrl_RSL3_1_uM_14 210514_MDA_ZEB1_n2_2h_sh-Ctrl_RSL3_10_uM_15 210514_MDA_ZEB1_n2_2h_sh-ZEB1_DMSO_16 210514_MDA_ZEB1_n2_2h_sh-ZEB1_RSL3_1_uM_17 210514_MDA_ZEB1_n2_2h_sh-ZEB1_RSL3_10_uM_18 210514_MDA_ZEB1_n3_2h_WT_DMSO_19 210514_MDA_ZEB1_n3_2h_WT_RSL3_1_uM_20 210514_MDA_ZEB1_n3_2h_WT_RSL3_10_uM_21 210514_MDA_ZEB1_n3_2h_sh-Ctrl_DMSO_22 210514_MDA_ZEB1_n3_2h_sh-Ctrl_RSL3_1_uM_23 210514_MDA_ZEB1_n3_2h_sh-Ctrl_RSL3_10_uM_24 210514_MDA_ZEB1_n3_2h_sh-ZEB1_DMSO_25 210514_MDA_ZEB1_n3_2h_sh-ZEB1_RSL3_1_uM_26 210514_MDA_ZEB1_n3_2h_sh-ZEB1_RSL3_10_uM_27 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_2h_DMSO_1 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_2h_RSL3_1uM_2 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_4h_DMSO_3 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_4h_RSL3_1uM_4 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_6h_DMSO_5 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_6h_RSL3_1uM_6 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_24h_DMSO_7 210317_MDA_ZEB1_TC_pre_RSL3_WT_n1_24h_RSL3_1uM_8 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_4h_DMSO_19 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_4h_RSL3_1uM_20 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_6h_DMSO_21 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_6h_RSL3_1uM_22 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_24h_DMSO_23 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_24h_RSL3_1uM_24 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_2h_DMSO_37 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_2h_RSL3_1uM_38 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_2h_RSL3_10uM_39 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_4h_DMSO_40 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_4h_RSL3_1uM_41 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_4h_RSL3_10uM_42 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_6h_DMSO_43 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_6h_RSL3_1uM_44 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_6h_RSL3_10uM_45 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_24h_DMSO_46 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_24h_RSL3_1uM_47 210317_MDA_ZEB1_TC_pre_RSL3_WT_n3_24h_RSL3_10uM_48 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_2h_DMSO_61 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_2h_RSL3_10uM_62 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_4h_RSL3_10uM_63 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_6h_RSL3_10uM_64 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_24h_DMSO_65 210317_MDA_ZEB1_TC_pre_RSL3_WT_n4_24h_RSL3_10uM_66 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_2h_DMSO_73 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_2h_RSL3_10uM_74 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_4h_RSL3_10uM_75 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_6h_RSL3_10uM_76 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_24h_DMSO_77 210317_MDA_ZEB1_TC_pre_RSL3_WT_n5_24h_RSL3_10uM_78 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_2h_DMSO_17 210317_MDA_ZEB1_TC_pre_RSL3_WT_n2_2h_RSL3_1uM_18 Factors Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shCtrl | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:shZeb1 | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:4 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:6 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (10 µM) | Treatment Time:24 h Sample source:Breast cancer cells | Genotype:WT | Treatment:RSL3 (1 µM) | Treatment Time:2 h Sample source:Breast cancer cells | Genotype:WT | Treatment:DMSO | Treatment Time:2 h PE 16:0/20:4;O 0.0001525994 0.0002321303 0.0001777898 0.0001530940 0.0002796251 0.0002745115 0.0000734827 0.0000640152 0.0000679335 0.0000824916 0.0002217201 0.0001987071 0.0002760384 0.0003537865 0.0003796176 0.0000774264 0.0000565610 0.0000771692 0.0001328819 0.0002538375 0.0001998884 0.0001840442 0.0003689308 0.0002513446 0.0000634183 0.0000980815 0.0001019466 0.0001489467 0.0001607675 0.0001058031 0.0002720940 0.0001673805 0.0002114801 0.0000865813 0.0001048761 0.0001512821 0.0002240346 0.0001885541 0.0001995682 0.0001032844 0.0001145322 0.0001267738 0.0003061723 0.0003248390 0.0001655240 0.0003152789 0.0002110782 0.0001543467 0.0002553714 0.0001785246 0.0000743688 0.0001420733 0.0000484336 0.0001734472 0.0002921514 0.0002340013 0.0002029583 0.0001172967 0.0001064464 0.0001296719 0.0002968799 0.0002225264 0.0002001389 0.0001276417 0.0001234706 0.0003151826 0.0001889453 PE 16:0/20:4;O2 0.0000066839 0.0000102105 0.0000042704 0.0000065636 0.0000056209 0.0000068147 0.0000020543 0.0000000000 0.0000019403 0.0000011967 0.0000080169 0.0000056533 0.0000059707 0.0000111184 0.0000166177 0.0000007261 0.0000011310 0.0000021359 0.0000030001 0.0000104302 0.0000076294 0.0000042606 0.0000087721 0.0000063979 0.0000018534 0.0000004286 0.0000004703 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000012059 0.0000027463 0.0000009328 0.0000000000 0.0000047983 0.0000064004 0.0000000000 0.0000044292 0.0000018789 0.0000010799 0.0000021096 0.0000101776 0.0000084980 0.0000000000 0.0000116162 0.0000060481 0.0000024880 0.0000054038 0.0000012493 0.0000016505 0.0000024533 0.0000000000 0.0000000000 0.0000044729 0.0000083492 0.0000041434 0.0000047405 0.0000027272 0.0000055876 0.0000108528 0.0000031049 0.0000019905 0.0000009868 0.0000014056 0.0000127220 0.0000043298 PE 16:0/20:4;O3 0.0000762849 0.0003676576 0.0002916986 0.0000548988 0.0003502078 0.0003291230 0.0000110845 0.0000162294 0.0000301493 0.0000227116 0.0002637022 0.0002282780 0.0000897053 0.0005302508 0.0005989487 0.0000065427 0.0000082056 0.0000193213 0.0000435125 0.0003067859 0.0002745974 0.0000570822 0.0003951111 0.0002571446 0.0000081611 0.0000397714 0.0000375695 0.0000190831 0.0001619960 0.0000113479 0.0001917065 0.0000144636 0.0001167719 0.0000102667 0.0000458666 0.0000371524 0.0002700781 0.0000223242 0.0001018980 0.0000178350 0.0000226637 0.0000242885 0.0003552955 0.0004305213 0.0000284681 0.0004743354 0.0002401579 0.0000372541 0.0002638206 0.0001623654 0.0000264230 0.0000735222 0.0000103022 0.0000173413 0.0002313146 0.0002019408 0.0001021398 0.0000237063 0.0000395511 0.0000290812 0.0004024509 0.0002885438 0.0001334692 0.0000514373 0.0000140342 0.0003095466 0.0000230937 PE 18:0/20:4;O 0.0126998070 0.0125207320 0.0104530344 0.0082391769 0.0137168185 0.0124898359 0.0024808709 0.0031040730 0.0027352133 0.0060120022 0.0112025581 0.0096977291 0.0148546157 0.0187800132 0.0203433798 0.0033731317 0.0023883727 0.0030868159 0.0068507568 0.0112289814 0.0104208600 0.0067630893 0.0133120411 0.0093910680 0.0021991663 0.0029654242 0.0026888132 0.0035390506 0.0067571509 0.0043952828 0.0096140044 0.0046486794 0.0074653387 0.0054856062 0.0048387714 0.0046288341 0.0107642241 0.0046781625 0.0061121459 0.0056702628 0.0042730950 0.0048275639 0.0119074795 0.0130942950 0.0062399731 0.0149476121 0.0097594365 0.0056438759 0.0113253831 0.0075950814 0.0049169646 0.0057038124 0.0017797889 0.0051201798 0.0096771623 0.0096223784 0.0062229512 0.0058151340 0.0033251661 0.0049001969 0.0121175273 0.0101577190 0.0078695922 0.0067812838 0.0046830183 0.0107767736 0.0051681556 PE 18:0/20:4;O2 0.0005177320 0.0006117852 0.0006938736 0.0003677544 0.0008182733 0.0007122090 0.0001806260 0.0001072054 0.0002110869 0.0002332477 0.0006333637 0.0005507134 0.0005906680 0.0009545238 0.0007742826 0.0000984854 0.0000830350 0.0001412601 0.0004526933 0.0006662270 0.0006166163 0.0004604826 0.0008889592 0.0007302330 0.0001076135 0.0002339769 0.0001846593 0.0004510760 0.0004903485 0.0004885904 0.0007622268 0.0005003306 0.0006101788 0.0005580655 0.0003572870 0.0005480727 0.0008299982 0.0005859299 0.0005390162 0.0006782405 0.0004025609 0.0004072200 0.0009232228 0.0009127140 0.0005460945 0.0010218304 0.0008147148 0.0005193237 0.0006946213 0.0005318918 0.0004476023 0.0003948819 0.0002214041 0.0004605193 0.0007608523 0.0007106592 0.0005273710 0.0004920039 0.0004763768 0.0004471954 0.0009039112 0.0007671260 0.0005217950 0.0004776266 0.0005327300 0.0008507143 0.0006613085 PE 18:0/20:4;O3 0.0005415673 0.0014522514 0.0011579027 0.0002235531 0.0012511679 0.0011643655 0.0000328579 0.0000384888 0.0000402807 0.0001797791 0.0011558875 0.0009419187 0.0004021125 0.0016506822 0.0017433418 0.0000341658 0.0000206899 0.0000363409 0.0001868109 0.0011076207 0.0010084563 0.0001765050 0.0012964314 0.0009934383 0.0000193013 0.0000633940 0.0000535641 0.0000858981 0.0006992718 0.0000692451 0.0008557826 0.0000626519 0.0004834506 0.0000811173 0.0001854008 0.0000814410 0.0010108389 0.0000880934 0.0004265669 0.0000976419 0.0001435280 0.0000854971 0.0012112034 0.0014172087 0.0001347584 0.0017676858 0.0009635954 0.0001092975 0.0010372236 0.0005770934 0.0000817844 0.0001909489 0.0000442834 0.0000741342 0.0007872691 0.0008583282 0.0004057542 0.0000865458 0.0000614366 0.0001586699 0.0010827707 0.0010014312 0.0006415099 0.0001246599 0.0000842792 0.0010820705 0.0000750109 PE 18:1/20:4;O 0.0012926317 0.0018412624 0.0019555082 0.0006189472 0.0017007089 0.0015463775 0.0002788193 0.0002965053 0.0003633798 0.0004958462 0.0020114519 0.0017161866 0.0009935027 0.0025388989 0.0025929644 0.0003299619 0.0002533064 0.0004128266 0.0009317872 0.0018636444 0.0019225689 0.0008454046 0.0024126375 0.0017960738 0.0002667015 0.0005658747 0.0005562112 0.0009205477 0.0015555112 0.0008581860 0.0019688951 0.0007885347 0.0014661321 0.0005660536 0.0008512992 0.0009615032 0.0023818135 0.0009888607 0.0013207573 0.0006394787 0.0009360827 0.0007832993 0.0029651467 0.0032222422 0.0010805131 0.0031063242 0.0021563945 0.0010507715 0.0024502554 0.0017190004 0.0005583277 0.0011068663 0.0005093722 0.0010112682 0.0024978930 0.0023237590 0.0013610374 0.0008454742 0.0007533996 0.0009540045 0.0029532949 0.0024378282 0.0015820494 0.0006296492 0.0009019537 0.0026861164 0.0010182031 PE 18:1/20:4;O2 0.0001039953 0.0001381580 0.0001468136 0.0000983652 0.0001962085 0.0001539729 0.0000045144 0.0000042687 0.0000053295 0.0000574829 0.0000990322 0.0001127159 0.0001244517 0.0002301544 0.0001925413 0.0000021817 0.0000022647 0.0000028611 0.0000442568 0.0001043236 0.0001187843 0.0000665748 0.0001796419 0.0001245007 0.0000029664 0.0000029978 0.0000042265 0.0000441318 0.0000915705 0.0000238964 0.0000952757 0.0000337434 0.0000547894 0.0000437816 0.0000395929 0.0000394828 0.0000945994 0.0000260647 0.0000398761 0.0000319065 0.0000302227 0.0000379733 0.0001581907 0.0001769446 0.0000271810 0.0001136403 0.0000921112 0.0000597614 0.0000771899 0.0000749441 0.0000329584 0.0000404448 0.0000102799 0.0000189000 0.0001163042 0.0000877462 0.0000303850 0.0000272635 0.0000354878 0.0000257141 0.0001381699 0.0000766043 0.0000449320 0.0000267008 0.0000463629 0.0001307651 0.0000331891 PE 18:1/20:4;O3 0.0000571871 0.0002116650 0.0001901104 0.0000327546 0.0001974305 0.0002033262 0.0000045246 0.0000076813 0.0000130982 0.0000310775 0.0001661299 0.0001717777 0.0000741340 0.0002158731 0.0003169765 0.0000025509 0.0000050940 0.0000060682 0.0000262796 0.0001621422 0.0001860252 0.0000195976 0.0002295373 0.0001745446 0.0000063123 0.0000128550 0.0000216231 0.0000143262 0.0001664603 0.0000075354 0.0002056534 0.0000180664 0.0001109180 0.0000223413 0.0000449594 0.0000227873 0.0002299872 0.0000136628 0.0000944856 0.0000131407 0.0000323791 0.0000126807 0.0002584664 0.0003635399 0.0000310383 0.0004431413 0.0002269986 0.0000136800 0.0002811503 0.0001610697 0.0000214639 0.0000686195 0.0000072055 0.0000126065 0.0002327933 0.0002209064 0.0001131119 0.0000166065 0.0000081859 0.0000369031 0.0002490897 0.0002469845 0.0001901835 0.0000306632 0.0000112274 0.0002311663 0.0000173192 PE 16:0/22:4;O 0.0000762022 0.0001641272 0.0001126577 0.0000778904 0.0001749119 0.0001031715 0.0000242577 0.0000354626 0.0000437360 0.0000483686 0.0001098853 0.0001037096 0.0001351931 0.0001677922 0.0001515371 0.0000269049 0.0000149576 0.0000259799 0.0000630246 0.0001439540 0.0001520285 0.0001106060 0.0002962925 0.0001408212 0.0000260080 0.0000578589 0.0000605655 0.0000262795 0.0000535372 0.0000188677 0.0000179257 0.0000048200 0.0000219787 0.0000055882 0.0000203019 0.0000324099 0.0000767258 0.0000347145 0.0000221458 0.0000168985 0.0000140415 0.0000190030 0.0001669945 0.0002132948 0.0000452683 0.0001085568 0.0000691961 0.0000273446 0.0000513985 0.0000337262 0.0000165048 0.0000244947 0.0000061839 0.0000141994 0.0001118221 0.0000695564 0.0000276227 0.0000189621 0.0000163634 0.0000179094 0.0001357446 0.0000465483 0.0000249040 0.0000247303 0.0000112622 0.0001374967 0.0000534514 PE 16:0/22:4;O2* 0.0000000000 0.0000013628 0.0000000000 0.0000008170 0.0000000000 0.0000000000 0.0000004096 0.0000004261 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000023927 0.0000000000 0.0000000000 0.0000003636 0.0000000000 0.0000000000 0.0000000000 0.0000006939 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000003702 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000013731 0.0000000000 0.0000000000 0.0000012005 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 0.0000000000 0.0000000000 0.0000011833 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 PE 16:0/22:4;O3* 0.0000076202 0.0000210960 0.0000311366 0.0000049145 0.0000315854 0.0000291927 0.0000004109 0.0000008548 0.0000029007 0.0000023897 0.0000218417 0.0000182466 0.0000119637 0.0000699421 0.0000630833 0.0000010897 0.0000000000 0.0000014261 0.0000015024 0.0000249980 0.0000326850 0.0000025579 0.0000376393 0.0000303176 0.0000011130 0.0000025745 0.0000028244 0.0000000000 0.0000089286 0.0000000000 0.0000276372 0.0000000000 0.0000151130 0.0000027984 0.0000061753 0.0000035978 0.0000435942 0.0000024796 0.0000103408 0.0000018760 0.0000053826 0.0000010532 0.0000318592 0.0000375519 0.0000064955 0.0000323028 0.0000206236 0.0000037281 0.0000324644 0.0000224713 0.0000033010 0.0000073674 0.0000010280 0.0000015734 0.0000178823 0.0000250432 0.0000069185 0.0000023703 0.0000000000 0.0000011189 0.0000173807 0.0000279412 0.0000199355 0.0000009898 0.0000000000 0.0000069464 0.0000000000 PE 18:0/22:4;O 0.0069575777 0.0034664528 0.0030185047 0.0040352790 0.0047726464 0.0044026737 0.0019622914 0.0022884026 0.0020656967 0.0029584920 0.0030470749 0.0023779725 0.0070585659 0.0062796686 0.0060286089 0.0022832858 0.0015211516 0.0017542577 0.0032946535 0.0027804054 0.0023389399 0.0027161717 0.0031246261 0.0022907840 0.0014036300 0.0016370580 0.0016020844 0.0018544236 0.0016921160 0.0029760453 0.0023556066 0.0034268976 0.0019431251 0.0042513572 0.0016417582 0.0026038741 0.0022333396 0.0032072580 0.0013592059 0.0048548304 0.0012921427 0.0033291994 0.0040093043 0.0036044342 0.0044675847 0.0035491253 0.0022146289 0.0042298374 0.0022983302 0.0014291251 0.0047705198 0.0016742558 0.0004196178 0.0027826561 0.0022876720 0.0020958137 0.0015387205 0.0046191403 0.0011442894 0.0027675751 0.0031245151 0.0023460549 0.0017578028 0.0063071783 0.0015352209 0.0026197098 0.0029517321 PE 18:0/22:4;O2* 0.0000523078 0.0000907130 0.0000785019 0.0000352714 0.0000990399 0.0000777647 0.0000024537 0.0000008442 0.0000043631 0.0000256885 0.0000720843 0.0000692378 0.0000310870 0.0000957656 0.0001030384 0.0000003670 0.0000025453 0.0000035609 0.0000240307 0.0000724080 0.0000667248 0.0000333481 0.0001105342 0.0000804608 0.0000026019 0.0000042890 0.0000065836 0.0000131434 0.0000480209 0.0000163338 0.0000414344 0.0000132539 0.0000247207 0.0000083953 0.0000132168 0.0000156028 0.0000716411 0.0000049669 0.0000325186 0.0000169072 0.0000204873 0.0000221756 0.0000842868 0.0000810370 0.0000116519 0.0001022323 0.0000691961 0.0000186598 0.0000581092 0.0000249543 0.0000107524 0.0000122550 0.0000061839 0.0000157582 0.0000805211 0.0000514874 0.0000234536 0.0000130567 0.0000095559 0.0000156682 0.0000923939 0.0000527742 0.0000467744 0.0000187853 0.0000196958 0.0000577307 0.0000331980 PE 18:0/22:4;O3* 0.0000381100 0.0000967675 0.0000931832 0.0000270054 0.0001079636 0.0001332601 0.0000032857 0.0000021330 0.0000053415 0.0000161223 0.0000860129 0.0000755715 0.0000502252 0.0001292551 0.0001714735 0.0000021794 0.0000050975 0.0000057134 0.0000119979 0.0000702659 0.0000909311 0.0000093553 0.0001232569 0.0000804098 0.0000037115 0.0000064295 0.0000046997 0.0000071557 0.0000580708 0.0000025222 0.0000731573 0.0000036140 0.0000452583 0.0000037284 0.0000140993 0.0000095966 0.0000780099 0.0000111679 0.0000635318 0.0000056309 0.0000064758 0.0000105514 0.0000841013 0.0000824640 0.0000116318 0.0001394066 0.0000788017 0.0000049682 0.0000946579 0.0000711422 0.0000107294 0.0000159045 0.0000092615 0.0000094647 0.0000611325 0.0000737547 0.0000455432 0.0000047405 0.0000095643 0.0000078254 0.0000946844 0.0000787063 0.0000617816 0.0000128647 0.0000028068 0.0000820683 0.0000086909 PC 16:0/20:4;O 0.0001186976 0.0001615468 0.0001486581 0.0000573726 0.0001456671 0.0000926929 0.0000236676 0.0000284563 0.0000256321 0.0000971726 0.0001539709 0.0001792628 0.0000870384 0.0001083779 0.0000948144 0.0000265775 0.0000262573 0.0000195652 0.0000964048 0.0001542755 0.0001930309 0.0000972042 0.0002339515 0.0001742838 0.0000240403 0.0000321678 0.0000304771 0.0802384061 0.0952026606 0.0922568402 0.1567967615 0.0831406776 0.1086331564 0.0660969319 0.0743226338 0.1095190553 0.1917671603 0.1050925148 0.1366321601 0.0894707227 0.086099381 0.081064293 0.188416652 0.237089429 0.10381114 0.225387054 0.189140841 0.098459405 0.186707911 0.132894673 0.06601432 0.082410473 0.038100205 0.156597712 0.198650158 0.189508803 0.12795204 0.111667593 0.05033441 0.116525882 0.172167461 0.165769485 0.137155576 0.093575166 0.084469701 0.1134476188 0.2643154440 PC 16:0/20:4;O2 0.0000233691 0.0000350315 0.0000448928 0.0000096569 0.0000268247 0.0000193843 0.0000004414 0.0000010213 0.0000010901 0.0000112524 0.0000230641 0.0000340053 0.0000040737 0.0000038192 0.0000071265 0.0000006575 0.0000002667 0.0000007357 0.0000286931 0.0000210157 0.0000216821 0.0000269198 0.0000575402 0.0000398230 0.0000001782 0.0000038144 0.0000020491 0.0164076493 0.0197209877 0.0099250413 0.0109829819 0.0068113526 0.0050657296 0.0033949894 0.0029268166 0.0118853813 0.0277353297 0.0135464359 0.0103795721 0.0039122179 0.013009692 0.009835773 0.037372768 0.0612115 0.015659677 0.036088333 0.037658139 0.013456016 0.031728761 0.029750818 0.00327109 0.010678667 0.005597562 0.011172067 0.061405539 0.03609392 0.025820431 0.003148148 0.009455675 0.015740145 0.048102319 0.032272954 0.01427322 0.00238093 0.00117415 0.0136281010 0.0656119529 PC 16:0/20:4;O3 0.0000069364 0.0000106473 0.0000200475 0.0000018079 0.0000143037 0.0000136424 0.0000004428 0.0000002049 0.0000000000 0.0000056297 0.0000146896 0.0000255087 0.0000033967 0.0000093504 0.0000064205 0.0000000000 0.0000000000 0.0000001477 0.0000054688 0.0000196991 0.0000153900 0.0000040783 0.0000249440 0.0000318627 0.0000003558 0.0000014824 0.0000020449 0.0045603489 0.0118366672 0.0016499102 0.0189556985 0.0027203235 0.0091403383 0.0011332241 0.0017546384 0.0016986629 0.0128065158 0.0025438947 0.0163193007 0.0019621838 0.001000507 0.008308159 0.029700823 0.025107618 0.010719087 0.044053408 0.019795843 0.005665576 0.044697118 0.026041575 0.00081735 0.00193748 0.0011209 0.004973496 0.020890841 0.020318117 0.01476106 0 0 0.007870073 0.024915109 0.01894353 0.014290417 0.001489466 0 0.0045323973 0.0270456947 PC 18:0/20:4;O 0.0001053899 0.0001609743 0.0001561867 0.0000567812 0.0001126415 0.0000875519 0.0000068563 0.0000090037 0.0000081759 0.0001050632 0.0001657304 0.0001754551 0.0000777601 0.0001024095 0.0000805592 0.0000076239 0.0000061338 0.0000064730 0.0000840439 0.0001314832 0.0001406619 0.0000563074 0.0001517326 0.0001116290 0.0000120960 0.0000112364 0.0000077293 0.0848213589 0.1196297930 0.0917043121 0.1438306553 0.1088298100 0.1289652961 0.0834874725 0.1024748717 0.0839339315 0.2016844414 0.0677978116 0.1069473200 0.0881160261 0.112177618 0.098282753 0.191885476 0.213034711 0.092512159 0.246464496 0.168108142 0.087813128 0.193192089 0.167488648 0.069592233 0.09592477 0.06046616 0.125743544 0.201889607 0.200473248 0.129025987 0.120757043 0.092841082 0.098469861 0.188029773 0.142636583 0.123776581 0.09655502 0.104539298 0.0825553832 0.2045651986 PC 18:0/20:4;O2 0.0000474032 0.0000557205 0.0000504401 0.0000428011 0.0000778441 0.0000403264 0.0000022091 0.0000065525 0.0000032744 0.0000286761 0.0000545093 0.0000602755 0.0000435466 0.0000357397 0.0000509991 0.0000039456 0.0000021334 0.0000032331 0.0000396498 0.0000407209 0.0000468591 0.0000498220 0.0000639466 0.0000736696 0.0000030237 0.0000052988 0.0000027302 0.0209736491 0.0223470572 0.0231268810 0.0319589303 0.0156365881 0.0182649445 0.0060419105 0.0087750063 0.0296818991 0.0373550924 0.0305162347 0.0163193007 0.0094075476 0.015977141 0.031777653 0.084930931 0.12765635 0.032979841 0.044890832 0.050523902 0.020537437 0.038795787 0.023573871 0.012567917 0.032952174 0.008942912 0.046005803 0.070893523 0.05415835 0.031951831 0.015740742 0.015748086 0.032307563 0.081216234 0.042111235 0.04044898 0.008935871 0.026990899 0.0235920693 0.0496531394 PC 18:0/20:4;O3 0.0000044196 0.0000106550 0.0000089743 0.0000018116 0.0000080280 0.0000050297 0.0000000000 0.0000004098 0.0000002727 0.0000022470 0.0000090957 0.0000061784 0.0000010203 0.0000038192 0.0000053476 0.0000000000 0.0000001329 0.0000000000 0.0000000000 0.0000059158 0.0000062986 0.0000032616 0.0000205824 0.0000039801 0.0000000000 0.0000000000 0.0000000000 0.0036448885 0.0026281068 0.0016499102 0.0049810143 0.0013601617 0.0020294383 0.0000000000 0.0005842746 0.0008493314 0.0074710185 0.0000000000 0.0014814815 0.0000000000 0 0.000754435 0.014449049 0.005015293 0.00329543 0.008810682 0.009913267 0.00212267 0.004699208 0.007456923 0.000273013 0.000970242 0.0011209 0 0.008134614 0.00562548 0 0.000628069 0.001569447 0.002362242 0.012847203 0.012637721 0.00395523 0.000596155 0.002344664 0.0018123969 0.0135350884 PC 18:1/20:4;O 0.0001169826 0.0001471131 0.0001652638 0.0000573726 0.0000984014 0.0000738783 0.0000192384 0.0000208628 0.0000166152 0.0000949378 0.0001713546 0.0001655098 0.0000669730 0.0000855721 0.0000705655 0.0000202562 0.0000162581 0.0000105871 0.0000895466 0.0001392936 0.0001420442 0.0000693716 0.0001807662 0.0001623434 0.0000180011 0.0000285720 0.0000191032 0.0638618372 0.0788635778 0.0602588139 0.1376616227 0.0599040539 0.1268760759 0.0574771708 0.0386546648 0.0772023881 0.1771226417 0.0744397656 0.1383712905 0.0591291644 0.047980983 0.076286985 0.19715451 0.253194439 0.094808742 0.23516882 0.18526147 0.098422088 0.224494643 0.196366928 0.054256145 0.102779543 0.044836018 0.167812156 0.187923986 0.235693646 0.134014891 0.094360579 0.053502549 0.096019767 0.19708257 0.16641551 0.143739436 0.0717389 0.053989069 0.0680056291 0.1830979189 PC 18:1/20:4;O2 0.0000113619 0.0000350704 0.0000448500 0.0000084573 0.0000160837 0.0000150890 0.0000008828 0.0000004098 0.0000010909 0.0000112349 0.0000272655 0.0000417163 0.0000044159 0.0000042590 0.0000060658 0.0000002631 0.0000000000 0.0000010310 0.0000212016 0.0000275950 0.0000216886 0.0000260930 0.0000444554 0.0000447997 0.0000007122 0.0000021225 0.0000013616 0.0100220306 0.0111786218 0.0041260545 0.0219659637 0.0068113526 0.0040620230 0.0015113556 0.0035110912 0.0127347127 0.0245287421 0.0067705927 0.0089072924 0.0015697471 0.005987556 0.015135563 0.043320828 0.052177742 0.016502694 0.031696631 0.03369897 0.010624326 0.030599494 0.032249271 0.00327109 0.011624878 0.003362701 0.009950845 0.039485273 0.031586548 0.013519547 0.002520079 0.006287537 0.014976321 0.059348601 0.030191319 0.015845486 0.00476186 0.004692963 0.0108743816 0.0361285434 PC 16:0/22:4;O 0.0000050454 0.0000012518 0.0000062113 0.0000030131 0.0000008942 0.0000043175 0.0000004428 0.0000008183 0.0000000000 0.0000067410 0.0000063020 0.0000061784 0.0000027165 0.0000046752 0.0000042759 0.0000005255 0.0000008010 0.0000000000 0.0000041090 0.0000045992 0.0000027950 0.0000016308 0.0000108452 0.0000109531 0.0000000000 0.0000004235 0.0000004550 0.0018224443 0.0046042802 0.0008236761 0.0049810143 0.0013622705 0.0040588765 0.0015101849 0.0041008094 0.0042335097 0.0010677606 0.0033866090 0.0014860824 0.0011773103 0.006009239 0.009090709 0.008500989 0.010061738 0.004955917 0.014075268 0.005954099 0.00212706 0.008232721 0.006188478 0.002730135 0.000967238 0 0.004969644 0.003480607 0.010132853 0.003690265 0.002516178 0 0.005515152 0.00483015 0.002107737 0.003979796 0.00238093 0.002348299 0.0000000000 0.0045116961 PC 18:0/22:4;O 0.0001382592 0.0000914119 0.0001222986 0.0000639640 0.0001109473 0.0000689421 0.0000261146 0.0000303233 0.0000188291 0.0001360385 0.0001370854 0.0001460789 0.0000713878 0.0000539954 0.0000538078 0.0000269571 0.0000305026 0.0000170824 0.0001258117 0.0000669524 0.0000656509 0.0000816672 0.0000738685 0.0000777516 0.0000299007 0.0000281650 0.0000257105 0.0703548247 0.0362637997 0.0759726100 0.0730136258 0.0797118047 0.0355545000 0.0556075853 0.0399193834 0.1036026598 0.1087595169 0.0821712101 0.0667126754 0.0485989803 0.045843677 0.142218058 0.181073693 0.184101764 0.160114448 0.103865115 0.088013239 0.095048206 0.076498734 0.059578511 0.041501429 0.059175736 0.014540473 0.234998658 0.148654676 0.098183848 0.083402276 0.06924366 0.044061496 0.136358465 0.135884071 0.06743018 0.070506269 0.050387125 0.076337897 0.0833899287 0.1286253088 PI 16:0/20:4;O 0.0000023113 0.0000059548 0.0000148674 0.0000057683 0.0000070768 0.0000122924 0.0000024222 0.0000044408 0.0000013064 0.0000008964 0.0000045759 0.0000052681 0.0000080424 0.0000129711 0.0000161815 0.0000034925 0.0000017887 0.0000055756 0.0000018818 0.0000075092 0.0000072087 0.0000043727 0.0000083956 0.0000069439 0.0000014655 0.0000043021 0.0000030731 PI 16:0/20:4;O2 0.0000000000 0.0000000000 0.0000039789 0.0000014461 0.0000017729 0.0000000000 0.0000006068 0.0000000000 0.0000006532 0.0000000000 0.0000000000 0.0000010530 0.0000000000 0.0000000000 0.0000050028 0.0000000000 0.0000000000 0.0000020354 0.0000009396 0.0000000000 0.0000051572 0.0000014616 0.0000000000 0.0000027722 0.0000000000 0.0000000000 0.0000006153 PI 16:0/20:4;O3 0.0000000000 0.0000049715 0.0000019840 0.0000028962 0.0000035507 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000008964 0.0000018268 0.0000052652 0.0000011503 0.0000014404 0.0000024807 0.0000000000 0.0000008956 0.0000005067 0.0000009396 0.0000008341 0.0000010286 0.0000014616 0.0000033685 0.0000000000 0.0000014655 0.0000005355 0.0000006153 PI 18:0/20:4;O 0.0007260450 0.0011951820 0.0013990340 0.0005064440 0.0015066070 0.0012416420 0.0000831329 0.0001185820 0.0000954586 0.0004631190 0.0011107440 0.0012639360 0.0010918040 0.0018919480 0.0018503470 0.0001238970 0.0000868196 0.0001162520 0.0003893730 0.0009225940 0.0011582390 0.0005265290 0.0019203580 0.0014745720 0.0000921831 0.0001227070 0.0001299890 PI 18:0/20:4;O2 0.0000370037 0.0001061290 0.0001170050 0.0000593217 0.0001151100 0.0001162640 0.0000036307 0.0000056979 0.0000045596 0.0000404019 0.0000612223 0.0000987005 0.0000758738 0.0001553270 0.0001685020 0.0000039383 0.0000040383 0.0000055868 0.0000329223 0.0000635372 0.0001029710 0.0000600027 0.0001381880 0.0001341990 0.0000044113 0.0000053568 0.0000098516 PI 18:0/20:4;O3 0.0002184530 0.0007312720 0.0008016520 0.0001722490 0.0008746610 0.0008767350 0.0000170239 0.0000120234 0.0000130781 0.0001200360 0.0006143430 0.0008288710 0.0002330360 0.0008182080 0.0011255930 0.0000087344 0.0000071599 0.0000131851 0.0001203490 0.0004841460 0.0007340900 0.0002489060 0.0013198050 0.0011018810 0.0000053992 0.0000230355 0.0000252391 PI 18:1/20:4;O 0.0000336135 0.0000596028 0.0000853408 0.0000188192 0.0000637358 0.0000627028 0.0000097306 0.0000133049 0.0000104563 0.0000279063 0.0000602318 0.0000536351 0.0000549718 0.0001122040 0.0001059220 0.0000174434 0.0000089549 0.0000076068 0.0000178758 0.0000416773 0.0000556696 0.0000307301 0.0000689541 0.0000720843 0.0000112759 0.0000096426 0.0000123230 PI 18:1/20:4;O2 0.0000046259 0.0000109318 0.0000069151 0.0000115807 0.0000124201 0.0000040849 0.0000000000 0.0000063290 0.0000013082 0.0000062825 0.0000109407 0.0000041918 0.0000057577 0.0000143598 0.0000112201 0.0000004361 0.0000026918 0.0000025295 0.0000056532 0.0000083641 0.0000051373 0.0000058343 0.0000050504 0.0000082897 0.0000000000 0.0000021377 0.0000018391 PI 18:1/20:4;O3 0.0000150428 0.0000228221 0.0000377009 0.0000101346 0.0000408110 0.0000382011 0.0000012153 0.0000018934 0.0000052291 0.0000116711 0.0000228162 0.0000366527 0.0000126467 0.0000461550 0.0000586538 0.0000004373 0.0000008907 0.0000005081 0.0000056480 0.0000158733 0.0000257576 0.0000219443 0.0000554428 0.0000483118 0.0000000000 0.0000010666 0.0000024697 PI 16:0/22:4;O 0.0000000000 0.0000009915 0.0000079304 0.0000000000 0.0000000000 0.0000027346 0.0000006068 0.0000006329 0.0000006532 0.0000036007 0.0000009121 0.0000010501 0.0000000000 0.0000000000 0.0000012455 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000004898 0.0000000000 0.0000000000 PI 18:0/22:4;O 0.0001131300 0.0001756200 0.0001974060 0.0001200810 0.0001279190 0.0001655770 0.0000194276 0.0000120409 0.0000196099 0.0000826338 0.0001972780 0.0001974500 0.0002125790 0.0003393980 0.0003639980 0.0000165977 0.0000129808 0.0000147096 0.0000649363 0.0001495810 0.0001679350 0.0000658693 0.0001697720 0.0001470020 0.0000185734 0.0000139269 0.0000147739 PI 18:0/22:4;O2* 0.0000219928 0.0000326854 0.0000603697 0.0000058084 0.0000319710 0.0000355535 0.0000018305 0.0000012605 0.0000039245 0.0000098807 0.0000319352 0.0000431658 0.0000309431 0.0000745562 0.0000784511 0.0000030552 0.0000017949 0.0000020340 0.0000103564 0.0000250438 0.0000226491 0.0000073242 0.0000486359 0.0000430934 0.0000000000 0.0000005370 0.0000030850 PI 18:0/22:4;O3* 0.0000219608 0.0001260720 0.0001597050 0.0000274717 0.0000977204 0.0001094520 0.0000006068 0.0000012605 0.0000013082 0.0000349636 0.0001140810 0.0001493160 0.0000620228 0.0001839790 0.0002319890 0.0000030576 0.0000013490 0.0000005067 0.0000188154 0.0001061430 0.0001039680 0.0000307625 0.0001633840 0.0001221140 0.0000024574 0.0000032236 0.0000030731 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name metaboite name (ID in Analyst file) formula exactmass super_class main_class sub_class PE 16:0/20:4;O PE(16:0/20:4+1[O]) C41H74NO9P 755.5101 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 16:0/20:4;O2 PE(16:0/20:4+2[O]) C41H74NO10P 771.5050 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 16:0/20:4;O3 PE(16:0/20:4+3[O]) C41H74NO11P 787.5000 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:0/20:4;O PE(18:0/20:4+1[O]) C43H78NO9P 783.5414 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:0/20:4;O2 PE(18:0/20:4+2[O]) C43H78NO10P 799.5363 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:0/20:4;O3 PE(18:0/20:4+3[O]) C43H78NO11P 815.5313 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:1/20:4;O PE(18:1/20:4+1[O]) C43H76NO9P 781.5258 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:1/20:4;O2 PE(18:1/20:4+2[O]) C43H76NO10P 797.5207 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:1/20:4;O3 PE(18:1/20:4+3[O]) C43H76NO11P 813.5156 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 16:0/22:4;O PE(16:0/22:4+1[O]) C43H78NO9P 783.5414 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 16:0/22:4;O2* PE(16:0/22:4+2[O]) C43H78NO10P 799.5363 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 16:0/22:4;O3* PE(16:0/22:4+3[O]) C43H78NO11P 815.5313 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:0/22:4;O PE(18:0/22:4+1[O]) C45H82NO9P 811.5727 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:0/22:4;O2* PE(18:0/22:4+2[O]) C45H82NO10P 827.5676 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PE 18:0/22:4;O3* PE(18:0/22:4+3[O]) C45H82NO11P 843.5626 Glycerophospholipids Glycerophosphoethanolamines Ox-PE PC 16:0/20:4;O PC(16:0/20:4+1[O]) C44H80NO9P 797.5571 Glycerophospholipids Glycerophosphocholines Ox-PC PC 16:0/20:4;O2 PC(16:0/20:4+2[O]) C44H80NO10P 813.5520 Glycerophospholipids Glycerophosphocholines Ox-PC PC 16:0/20:4;O3 PC(16:0/20:4+3[O]) C44H80NO11P 829.5469 Glycerophospholipids Glycerophosphocholines Ox-PC PC 18:0/20:4;O PC(18:0/20:4+1[O]) C46H84NO9P 825.5884 Glycerophospholipids Glycerophosphocholines Ox-PC PC 18:0/20:4;O2 PC(18:0/20:4+2[O]) C46H84NO10P 841.5833 Glycerophospholipids Glycerophosphocholines Ox-PC PC 18:0/20:4;O3 PC(18:0/20:4+3[O]) C46H84NO11P 857.5782 Glycerophospholipids Glycerophosphocholines Ox-PC PC 18:1/20:4;O PC(18:1/20:4+1[O]) C46H82NO9P 823.5727 Glycerophospholipids Glycerophosphocholines Ox-PC PC 18:1/20:4;O2 PC(18:1/20:4+2[O]) C46H82NO10P 839.5676 Glycerophospholipids Glycerophosphocholines Ox-PC PC 16:0/22:4;O PC(16:0/22:4+1[O]) C46H84NO9P 825.5884 Glycerophospholipids Glycerophosphocholines Ox-PC PC 18:0/22:4;O PC(18:0/22:4+1[O]) C48H88NO9P 853.6197 Glycerophospholipids Glycerophosphocholines Ox-PC PI 16:0/20:4;O PI(16:0/20:4+1[O]) C45H79O14P 874.5207 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 16:0/20:4;O2 PI(16:0/20:4+2[O]) C45H79O15P 890.5157 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 16:0/20:4;O3 PI(16:0/20:4+3[O]) C45H79O16P 906.5106 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:0/20:4;O PI(18:0/20:4+1[O]) C47H83O14P 902.5520 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:0/20:4;O2 PI(18:0/20:4+2[O]) C47H83O15P 918.5470 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:0/20:4;O3 PI(18:0/20:4+3[O]) C47H83O16P 934.5419 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:1/20:4;O PI(18:1/20:4+1[O]) C47H81O14P 900.5364 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:1/20:4;O2 PI(18:1/20:4+2[O]) C47H81O15P 916.5313 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:1/20:4;O3 PI(18:1/20:4+3[O]) C47H81O16P 932.5262 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 16:0/22:4;O PI(16:0/22:4+1[O]) C47H83O14P 902.5520 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:0/22:4;O PI(18:0/22:4+1[O]) C49H87O14P 930.5833 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:0/22:4;O2* PI(18:0/22:4+2[O]) C49H87O15P 946.5783 Glycerophospholipids Glycerophosphoinositols Ox-PI PI 18:0/22:4;O3* PI(18:0/22:4+3[O]) C49H87O16P 962.5732 Glycerophospholipids Glycerophosphoinositols Ox-PI METABOLITES_END #END