{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003260","ANALYSIS_ID":"AN005344","PROJECT_ID":"PR002023","VERSION":"1","CREATED_ON":"June 14, 2024, 1:46 am"},

"PROJECT":{"PROJECT_TITLE":"Iron(III)-salophene catalyzes redox cycles that induce phospholipid peroxidation and deplete cancer cells of ferroptosis-protecting cofactors","PROJECT_SUMMARY":"Ferroptosis, regulated by glutathione peroxidase 4 and redox cycles, offers new cancer treatment strategies. Chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complexes (SCs, compounds 1-3) exhibit potent anti-cancer effects by inducing ferroptosis, apoptosis, or necroptosis, including in therapy-resistant cancers. Our study shows that SCs favor ferroptosis in triple-negative breast cancer cells and are effective against invasive, chemo- or radioresistant cell lines. Redox lipidomics indicates that SCs initiate cell death through extensive oxidation of arachidonic and adrenic acids in membrane phospholipids. Mechanistically, SCs catalyze one-electron transfer reactions, reducing Fe(III) to Fe(II), forming oxo-bridged dimers, and generating organic radicals using hydrogen peroxide. This process depletes NADPH, oxidizes membrane phospholipids, and disrupts cellular detoxification of phospholipid hydroperoxides.","INSTITUTE":"University of Innsbruck","DEPARTMENT":"Michael Popp Institute","LAST_NAME":"Koeberle","FIRST_NAME":"Andreas","ADDRESS":"Mitterweg 24, Innsbruck, Tyrol, 6020, Austria","EMAIL":"Andreas.Koeberle@uibk.ac.at","PHONE":"+43 512 507 57903","FUNDING_SOURCE":"Austrian Science Fund (FWF) (P 36299), Phospholipid Research Center Heidelberg (AKO-2022-100/2-2)","PUBLICATIONS":"in revision","CONTRIBUTORS":"Fengting Su, Andreas Koeberle"},

"STUDY":{"STUDY_TITLE":"Exploration of RSL3-induced and Chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complex-induced changes in the lipidome of MDA-MB-231 breast cancer cells","STUDY_SUMMARY":"Chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complexes (SCs) exhibit potent anti-cancer properties through incompletely understood molecular mechanisms. Here, we treated human MDA-MB-231 triple-negative breast cancer cells with the glutathione peroxidase (GPX)4 inhibitor RSL3 or chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complexes (SCs) and analyzed their phospholipid profile by targeted lipidomics. SCs decreased the cellular proportion of polyunsaturated fatty acids (PUFAs) in phospholipids, which barely changed upon short-term treatment with RSL3.","INSTITUTE":"University of Innsbruck","DEPARTMENT":"Michael Popp Institute","LAST_NAME":"Koeberle","FIRST_NAME":"Andreas","ADDRESS":"Mitterweg 24, Innsbruck, Tyrol, 6020, Austria","EMAIL":"Andreas.Koeberle@uibk.ac.at","PHONE":"+43 512 507 57903"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_2h_DMSO_1",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_2h_RSL3_1uM_2",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_2h_RSL3_10uM_3",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_4h_DMSO_4",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_4h_RSL3_1uM_5",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_4h_RSL3_10uM_6",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_6h_DMSO_7",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_6h_RSL3_1uM_8",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_6h_RSL3_10uM_9",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_24h_DMSO_10",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_24h_RSL3_1uM_11",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n1_24h_RSL3_10uM_12",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_2h_DMSO_13",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_2h_RSL3_1uM_14",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_2h_RSL3_10uM_15",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_4h_DMSO_16",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_4h_RSL3_1uM_17",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_4h_RSL3_10uM_18",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_6h_DMSO_19",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_6h_RSL3_1uM_20",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_6h_RSL3_10uM_21",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_24h_DMSO_22",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_24h_RSL3_1uM_23",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n2_24h_RSL3_10uM_24",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_2h_DMSO_25",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_2h_RSL3_1uM_26",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_2h_RSL3_10uM_27",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_4h_DMSO_28",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_4h_RSL3_1uM_29",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_4h_RSL3_10uM_30",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"4 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_6h_DMSO_31",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_6h_RSL3_1uM_32",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_6h_RSL3_10uM_33",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"6 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_24h_DMSO_34",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_24h_RSL3_1uM_35",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210309_MDA_Timecourse_RSL3_n3_24h_RSL3_10uM_36",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM RSL3","time point":"24 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210310_MDA_Timecourse_RSL3_PE_dil_1_10_Std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210310_MDA_Timecourse_RSL3_PC_dil_1_10_Std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_DMSO_T41",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_RSL3_1uM_T42",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_RSL3_1uM_Ferrostatin1_3uM_T43",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3 + 3 µM Ferrostatin","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_1uM_T44",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_3uM_T45",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_10uM_T46",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_F_1uM_T47",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_F_3uM_T48",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_F_10uM_T49",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_1uM_T50",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_3uM_T51",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_10uM_T52",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_DMSO_T53",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_RSL3_1uM_T54",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_RSL3_1uM_Ferrostatin1_3uM_T55",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3 + 3 µM Ferrostatin","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_1uM_T56",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_3uM_T57",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_10uM_T58",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_F_1uM_T59",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_F_3uM_T60",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_F_10uM_T61",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_1uM_T62",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_3uM_T63",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_10uM_T64",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_DMSO_T65",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"DMSO","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_RSL3_1uM_T66",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_RSL3_1uM_Ferrostatin1_3uM_T67",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM RSL3 + 3 µM Ferrostatin","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_1uM_T68",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_3uM_T69",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_10uM_T70",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 1","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_F_1uM_T71",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_F_3uM_T72",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_F_10uM_T73",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 2","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_1uM_T74",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"1 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_3uM_T75",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"3 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_10uM_T76",
"Factors":{"Sample source":"Breast cancer cells","Treatment":"10 µM Comp. 3","time point":"2 h"},
"Additional sample data":{"RAW_FILE_NAME(raw_data_file for PE)":"210324_Rescue_Gust_compounds_PE_dil_1_10_std_1ul_SFT.wiff","RAW_FILE_NAME(raw_data_file for PC)":"210324_Rescue_Gust_compounds_PC_dil_1_10_std_1ul_SFT.wiff"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cultured cells were washed, trypsinized, counted and flash-frozen in liquid N2 and stored at -80°C.","SAMPLE_TYPE":"Breast cancer cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Treatment of breast cancer cells (MDA-MB-231 cells) for the analysis of PE and PC: Human MDA-MB-231 breast cancer cells were treated with vehicle (DMSO) or RSL3 (1 or 10 µM) with or without ferrostatin-1 (3 µM) for 2 h, 4 h, 6 h, or 24 h or with SCs (1, 3, and 10 µM) for 2 h at 37°C and 5% CO2. Cells were harvested, washed with PBS pH 7.4, snap-frozen, and stored at -80°C."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Phospholipids were extracted from cell pellets by successive addition of PBS pH 7.4, methanol, chloroform, and saline to a final ratio of 14:34:35:17. Evaporation of the organic layer yielded a lipid film that was dissolved in methanol and subjected to UPLC-MS/MS.","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Chromatographic separation of phospholipids was carried out on an Acquity BEH C8 column (1.7 μm, 130 Å, 2.1×100 mm, Waters, Milford, MA) using an ExionLC UHPLC system.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity H-Class","COLUMN_NAME":"Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um)","SOLVENT_A":"90% Water, 10% Acetonitrile; 2 mM ammonium acetate","SOLVENT_B":"5% Water, 95% Acetonitrile; 2 mM ammonium acetate","FLOW_GRADIENT":"The gradient was ramped from 75 to 85% B over 5 min and further increased to 100% B within 2 min, followed by isocratic elution for another 2 min.","FLOW_RATE":"0.75 mL/min","COLUMN_TEMPERATURE":"45°C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6500+","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Targeted MRM with pre-optimized settings and subsequent automated integration of selected signals using Analyst 1.6.3 or Analyst 1.7.1 (Sciex). Relative intensities (indicating the proportion of lipids) were obtained by summing all signals analyzed within the subgroup (e.g., PE) and expressing the individual signals of lipid species or lipid subfractions as a percentage of this sum (= 100%)."},

"MS_METABOLITE_DATA":{
"Units":"relative intensities",

"Data":[{"Metabolite":"PE 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}