#METABOLOMICS WORKBENCH akoeberle_20240612_011238 DATATRACK_ID:4911 STUDY_ID:ST003260 ANALYSIS_ID:AN005344 PROJECT_ID:PR002023
VERSION                          	1
CREATED_ON                       	07-01-2024
#PROJECT
PR:PROJECT_TITLE                 	Iron(III)-salophene catalyzes redox cycles that induce phospholipid peroxidation
PR:PROJECT_TITLE                 	and deplete cancer cells of ferroptosis-protecting cofactors
PR:PROJECT_SUMMARY               	Ferroptosis, regulated by glutathione peroxidase 4 and redox cycles, offers new
PR:PROJECT_SUMMARY               	cancer treatment strategies.
PR:PROJECT_SUMMARY               	Chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complexes (SCs,
PR:PROJECT_SUMMARY               	compounds 1-3) exhibit potent anti-cancer effects by inducing ferroptosis,
PR:PROJECT_SUMMARY               	apoptosis, or necroptosis, including in therapy-resistant cancers. Our study
PR:PROJECT_SUMMARY               	shows that SCs favor ferroptosis in triple-negative breast cancer cells and are
PR:PROJECT_SUMMARY               	effective against invasive, chemo- or radioresistant cell lines. Redox
PR:PROJECT_SUMMARY               	lipidomics indicates that SCs initiate cell death through extensive oxidation of
PR:PROJECT_SUMMARY               	arachidonic and adrenic acids in membrane phospholipids. Mechanistically, SCs
PR:PROJECT_SUMMARY               	catalyze one-electron transfer reactions, reducing Fe(III) to Fe(II), forming
PR:PROJECT_SUMMARY               	oxo-bridged dimers, and generating organic radicals using hydrogen peroxide.
PR:PROJECT_SUMMARY               	This process depletes NADPH, oxidizes membrane phospholipids, and disrupts
PR:PROJECT_SUMMARY               	cellular detoxification of phospholipid hydroperoxides.
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                	Austrian Science Fund (FWF) (P 36299), Phospholipid Research Center Heidelberg
PR:FUNDING_SOURCE                	(AKO-2022-100/2-2)
PR:PUBLICATIONS                  	DOI : https://doi.org/10.1016/j.redox.2024.103257
PR:DOI                           	http://dx.doi.org/10.21228/M8423Z
PR:CONTRIBUTORS                  	Fengting Su, Andreas Koeberle
#STUDY
ST:STUDY_TITLE                   	Exploration of RSL3-induced and
ST:STUDY_TITLE                   	Chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complex-induced
ST:STUDY_TITLE                   	changes in the lipidome of MDA-MB-231 breast cancer cells
ST:STUDY_SUMMARY                 	Chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complexes (SCs)
ST:STUDY_SUMMARY                 	exhibit potent anti-cancer properties through incompletely understood molecular
ST:STUDY_SUMMARY                 	mechanisms. Here, we treated human MDA-MB-231 triple-negative breast cancer
ST:STUDY_SUMMARY                 	cells with the glutathione peroxidase (GPX)4 inhibitor RSL3 or
ST:STUDY_SUMMARY                 	chlorido[N,N’-disalicylidene-1,2-phenylenediamine]iron(III) complexes (SCs)
ST:STUDY_SUMMARY                 	and analyzed their phospholipid profile by targeted lipidomics. SCs decreased
ST:STUDY_SUMMARY                 	the cellular proportion of polyunsaturated fatty acids (PUFAs) in phospholipids,
ST:STUDY_SUMMARY                 	which barely changed upon short-term treatment with RSL3.
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
ST:SUBMIT_DATE                   	2024-06-12
#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]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_10uM_T46	Sample source:Breast cancer cells | Treatment:10 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_10uM_T58	Sample source:Breast cancer cells | Treatment:10 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_10uM_T70	Sample source:Breast cancer cells | Treatment:10 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_F_10uM_T49	Sample source:Breast cancer cells | Treatment:10 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_F_10uM_T61	Sample source:Breast cancer cells | Treatment:10 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_F_10uM_T73	Sample source:Breast cancer cells | Treatment:10 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_10uM_T52	Sample source:Breast cancer cells | Treatment:10 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_10uM_T64	Sample source:Breast cancer cells | Treatment:10 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_10uM_T76	Sample source:Breast cancer cells | Treatment:10 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_24h_RSL3_10uM_12	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_24h_RSL3_10uM_24	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_24h_RSL3_10uM_36	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_2h_RSL3_10uM_3	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_2h_RSL3_10uM_15	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_2h_RSL3_10uM_27	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_4h_RSL3_10uM_6	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_4h_RSL3_10uM_18	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_4h_RSL3_10uM_30	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_6h_RSL3_10uM_9	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:6 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_6h_RSL3_10uM_21	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:6 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_6h_RSL3_10uM_33	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:6 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_1uM_T44	Sample source:Breast cancer cells | Treatment:1 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_1uM_T56	Sample source:Breast cancer cells | Treatment:1 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_1uM_T68	Sample source:Breast cancer cells | Treatment:1 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_F_1uM_T47	Sample source:Breast cancer cells | Treatment:1 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_F_1uM_T59	Sample source:Breast cancer cells | Treatment:1 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_F_1uM_T71	Sample source:Breast cancer cells | Treatment:1 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_1uM_T50	Sample source:Breast cancer cells | Treatment:1 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_1uM_T62	Sample source:Breast cancer cells | Treatment:1 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_1uM_T74	Sample source:Breast cancer cells | Treatment:1 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_RSL3_1uM_Ferrostatin1_3uM_T43	Sample source:Breast cancer cells | Treatment:1 µM RSL3 + 3 µM Ferrostatin | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_RSL3_1uM_Ferrostatin1_3uM_T55	Sample source:Breast cancer cells | Treatment:1 µM RSL3 + 3 µM Ferrostatin | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_RSL3_1uM_Ferrostatin1_3uM_T67	Sample source:Breast cancer cells | Treatment:1 µM RSL3 + 3 µM Ferrostatin | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_24h_RSL3_1uM_11	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_24h_RSL3_1uM_23	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_24h_RSL3_1uM_35	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_2h_RSL3_1uM_2	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_2h_RSL3_1uM_14	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_2h_RSL3_1uM_26	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_RSL3_1uM_T42	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_RSL3_1uM_T54	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_RSL3_1uM_T66	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_4h_RSL3_1uM_5	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_4h_RSL3_1uM_17	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_4h_RSL3_1uM_29	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_6h_RSL3_1uM_8	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:6 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_6h_RSL3_1uM_20	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:6 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_6h_RSL3_1uM_32	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:6 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_3uM_T45	Sample source:Breast cancer cells | Treatment:3 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_3uM_T57	Sample source:Breast cancer cells | Treatment:3 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_3uM_T69	Sample source:Breast cancer cells | Treatment:3 µM Comp. 1 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_F_3uM_T48	Sample source:Breast cancer cells | Treatment:3 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_F_3uM_T60	Sample source:Breast cancer cells | Treatment:3 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_F_3uM_T72	Sample source:Breast cancer cells | Treatment:3 µM Comp. 2 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_3uM_T51	Sample source:Breast cancer cells | Treatment:3 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_3uM_T63	Sample source:Breast cancer cells | Treatment:3 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_3uM_T75	Sample source:Breast cancer cells | Treatment:3 µM Comp. 3 | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_24h_DMSO_10	Sample source:Breast cancer cells | Treatment:DMSO | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_24h_DMSO_22	Sample source:Breast cancer cells | Treatment:DMSO | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_24h_DMSO_34	Sample source:Breast cancer cells | Treatment:DMSO | time point:24 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_2h_DMSO_1	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_2h_DMSO_13	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_2h_DMSO_25	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n1_DMSO_T41	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n2_DMSO_T53	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	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_SAMPLE_FACTORS           	-	210324_Rescue_Gust_compounds_2h_n3_DMSO_T65	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_4h_DMSO_4	Sample source:Breast cancer cells | Treatment:DMSO | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_4h_DMSO_16	Sample source:Breast cancer cells | Treatment:DMSO | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_4h_DMSO_28	Sample source:Breast cancer cells | Treatment:DMSO | time point:4 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n1_6h_DMSO_7	Sample source:Breast cancer cells | Treatment:DMSO | time point:6 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n2_6h_DMSO_19	Sample source:Breast cancer cells | Treatment:DMSO | time point:6 h	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_SAMPLE_FACTORS           	-	210309_MDA_Timecourse_RSL3_n3_6h_DMSO_31	Sample source:Breast cancer cells | Treatment:DMSO | time point:6 h	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
#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             	Treatment of breast cancer cells (MDA-MB-231 cells) for the analysis of PE and
TR:TREATMENT_SUMMARY             	PC: Human MDA-MB-231 breast cancer cells were treated with vehicle (DMSO) or
TR:TREATMENT_SUMMARY             	RSL3 (1 or 10 µM) with or without ferrostatin-1 (3 µM) for 2 h, 4 h, 6 h, or
TR:TREATMENT_SUMMARY             	24 h or with SCs (1, 3, and 10 µM) for 2 h at 37°C and 5% CO2. Cells were
TR:TREATMENT_SUMMARY             	harvested, washed with PBS pH 7.4, snap-frozen, and stored at -80°C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Phospholipids were extracted from cell pellets by successive addition of PBS pH
SP:SAMPLEPREP_SUMMARY            	7.4, methanol, chloroform, and saline to a final ratio of 14:34:35:17.
SP:SAMPLEPREP_SUMMARY            	Evaporation of the organic layer yielded a lipid film that was dissolved in
SP:SAMPLEPREP_SUMMARY            	methanol and subjected to UPLC-MS/MS.
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Chromatographic separation of phospholipids was carried out on an Acquity BEH C8
CH:CHROMATOGRAPHY_SUMMARY        	column (1.7 μm, 130 Å, 2.1×100 mm, Waters, Milford, MA) using an ExionLC
CH:CHROMATOGRAPHY_SUMMARY        	UHPLC system.
CH:INSTRUMENT_NAME               	Waters Acquity H-Class
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um)
CH:COLUMN_TEMPERATURE            	45°C
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:SOLVENT_A                     	90% Water, 10% Acetonitrile; 2 mM ammonium acetate
CH:SOLVENT_B                     	5% Water, 95% Acetonitrile; 2 mM ammonium acetate
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
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). Relative
MS:MS_COMMENTS                   	intensities (indicating the proportion of lipids) were obtained by summing all
MS:MS_COMMENTS                   	signals analyzed within the subgroup (e.g., PE) and expressing the individual
MS:MS_COMMENTS                   	signals of lipid species or lipid subfractions as a percentage of this sum (=
MS:MS_COMMENTS                   	100%).
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	relative intensities
MS_METABOLITE_DATA_START
Samples	210324_Rescue_Gust_compounds_2h_n1_Ti41_10uM_T46	210324_Rescue_Gust_compounds_2h_n2_Ti41_10uM_T58	210324_Rescue_Gust_compounds_2h_n3_Ti41_10uM_T70	210324_Rescue_Gust_compounds_2h_n1_Ti41_F_10uM_T49	210324_Rescue_Gust_compounds_2h_n2_Ti41_F_10uM_T61	210324_Rescue_Gust_compounds_2h_n3_Ti41_F_10uM_T73	210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_10uM_T52	210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_10uM_T64	210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_10uM_T76	210309_MDA_Timecourse_RSL3_n1_24h_RSL3_10uM_12	210309_MDA_Timecourse_RSL3_n2_24h_RSL3_10uM_24	210309_MDA_Timecourse_RSL3_n3_24h_RSL3_10uM_36	210309_MDA_Timecourse_RSL3_n1_2h_RSL3_10uM_3	210309_MDA_Timecourse_RSL3_n2_2h_RSL3_10uM_15	210309_MDA_Timecourse_RSL3_n3_2h_RSL3_10uM_27	210309_MDA_Timecourse_RSL3_n1_4h_RSL3_10uM_6	210309_MDA_Timecourse_RSL3_n2_4h_RSL3_10uM_18	210309_MDA_Timecourse_RSL3_n3_4h_RSL3_10uM_30	210309_MDA_Timecourse_RSL3_n1_6h_RSL3_10uM_9	210309_MDA_Timecourse_RSL3_n2_6h_RSL3_10uM_21	210309_MDA_Timecourse_RSL3_n3_6h_RSL3_10uM_33	210324_Rescue_Gust_compounds_2h_n1_Ti41_1uM_T44	210324_Rescue_Gust_compounds_2h_n2_Ti41_1uM_T56	210324_Rescue_Gust_compounds_2h_n3_Ti41_1uM_T68	210324_Rescue_Gust_compounds_2h_n1_Ti41_F_1uM_T47	210324_Rescue_Gust_compounds_2h_n2_Ti41_F_1uM_T59	210324_Rescue_Gust_compounds_2h_n3_Ti41_F_1uM_T71	210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_1uM_T50	210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_1uM_T62	210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_1uM_T74	210324_Rescue_Gust_compounds_2h_n1_RSL3_1uM_Ferrostatin1_3uM_T43	210324_Rescue_Gust_compounds_2h_n2_RSL3_1uM_Ferrostatin1_3uM_T55	210324_Rescue_Gust_compounds_2h_n3_RSL3_1uM_Ferrostatin1_3uM_T67	210309_MDA_Timecourse_RSL3_n1_24h_RSL3_1uM_11	210309_MDA_Timecourse_RSL3_n2_24h_RSL3_1uM_23	210309_MDA_Timecourse_RSL3_n3_24h_RSL3_1uM_35	210309_MDA_Timecourse_RSL3_n1_2h_RSL3_1uM_2	210309_MDA_Timecourse_RSL3_n2_2h_RSL3_1uM_14	210309_MDA_Timecourse_RSL3_n3_2h_RSL3_1uM_26	210324_Rescue_Gust_compounds_2h_n1_RSL3_1uM_T42	210324_Rescue_Gust_compounds_2h_n2_RSL3_1uM_T54	210324_Rescue_Gust_compounds_2h_n3_RSL3_1uM_T66	210309_MDA_Timecourse_RSL3_n1_4h_RSL3_1uM_5	210309_MDA_Timecourse_RSL3_n2_4h_RSL3_1uM_17	210309_MDA_Timecourse_RSL3_n3_4h_RSL3_1uM_29	210309_MDA_Timecourse_RSL3_n1_6h_RSL3_1uM_8	210309_MDA_Timecourse_RSL3_n2_6h_RSL3_1uM_20	210309_MDA_Timecourse_RSL3_n3_6h_RSL3_1uM_32	210324_Rescue_Gust_compounds_2h_n1_Ti41_3uM_T45	210324_Rescue_Gust_compounds_2h_n2_Ti41_3uM_T57	210324_Rescue_Gust_compounds_2h_n3_Ti41_3uM_T69	210324_Rescue_Gust_compounds_2h_n1_Ti41_F_3uM_T48	210324_Rescue_Gust_compounds_2h_n2_Ti41_F_3uM_T60	210324_Rescue_Gust_compounds_2h_n3_Ti41_F_3uM_T72	210324_Rescue_Gust_compounds_2h_n1_Ti41_Cl_3uM_T51	210324_Rescue_Gust_compounds_2h_n2_Ti41_Cl_3uM_T63	210324_Rescue_Gust_compounds_2h_n3_Ti41_Cl_3uM_T75	210309_MDA_Timecourse_RSL3_n1_24h_DMSO_10	210309_MDA_Timecourse_RSL3_n2_24h_DMSO_22	210309_MDA_Timecourse_RSL3_n3_24h_DMSO_34	210309_MDA_Timecourse_RSL3_n1_2h_DMSO_1	210309_MDA_Timecourse_RSL3_n2_2h_DMSO_13	210309_MDA_Timecourse_RSL3_n3_2h_DMSO_25	210324_Rescue_Gust_compounds_2h_n1_DMSO_T41	210324_Rescue_Gust_compounds_2h_n2_DMSO_T53	210324_Rescue_Gust_compounds_2h_n3_DMSO_T65	210309_MDA_Timecourse_RSL3_n1_4h_DMSO_4	210309_MDA_Timecourse_RSL3_n2_4h_DMSO_16	210309_MDA_Timecourse_RSL3_n3_4h_DMSO_28	210309_MDA_Timecourse_RSL3_n1_6h_DMSO_7	210309_MDA_Timecourse_RSL3_n2_6h_DMSO_19	210309_MDA_Timecourse_RSL3_n3_6h_DMSO_31
Factors	Sample source:Breast cancer cells | Treatment:10 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:24 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:24 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:24 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:4 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:4 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:4 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:6 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:6 h	Sample source:Breast cancer cells | Treatment:10 µM RSL3 | time point:6 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 + 3 µM Ferrostatin | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 + 3 µM Ferrostatin | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 + 3 µM Ferrostatin | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:24 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:24 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:24 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:2 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:4 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:4 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:4 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:6 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:6 h	Sample source:Breast cancer cells | Treatment:1 µM RSL3 | time point:6 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 1 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 2 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:3 µM Comp. 3 | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:24 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:24 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:24 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:2 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:4 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:4 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:4 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:6 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:6 h	Sample source:Breast cancer cells | Treatment:DMSO | time point:6 h	
PC 14:0_16:0	2.0503	2.1064	1.7246	2.0238	2.2076	1.7670	2.0083	2.0083	1.6855													1.9610	2.2058	1.7827	1.9923	2.3186	1.7768	2.2336	2.2336	1.7841	2.3810	2.3212	1.9261							2.2057	1.8966	1.7060							1.9975	2.0840	1.7956	1.8628	2.1085	1.7562	2.1637	2.1637	1.6943							2.2206	2.2745	1.8579						
PC 14:0_16:1	0.4102	0.4205	0.3976	0.3952	0.4580	0.4152	0.4233	0.4233	0.3772													0.4249	0.4831	0.4198	0.3983	0.4784	0.4169	0.4616	0.4616	0.4035	0.4987	0.5042	0.4608							0.4800	0.4674	0.4675							0.4319	0.4670	0.4174	0.3607	0.4444	0.4028	0.4427	0.4427	0.4113							0.4485	0.5051	0.4425						
PC 14:0_18:1	1.4596	1.5391	1.3375	1.4300	1.6141	1.3715	1.6142	1.6142	1.3333													1.5609	1.7140	1.4295	1.4304	1.8135	1.4939	1.7440	1.7440	1.3988	1.7299	1.7181	1.4536							1.6675	1.5604	1.4201							1.5621	1.7116	1.3884	1.3612	1.6793	1.4620	1.6963	1.6963	1.4355							1.6031	1.7896	1.3936						
PC 14:0_18:2	0.0732	0.0789	0.0773	0.0811	0.0817	0.0799	0.0837	0.0837	0.0729													0.0803	0.0927	0.0894	0.0792	0.0936	0.0878	0.0943	0.0943	0.0923	0.0937	0.1001	0.0960							0.0957	0.0961	0.0942							0.0823	0.0896	0.0857	0.0692	0.0836	0.0796	0.0928	0.0928	0.0886							0.0929	0.0990	0.0924						
PC 16:0/16:0	2.8174	3.2252	3.4287	2.9372	3.2573	3.1153	3.1931	3.1931	3.1276	3.4074	2.0285	1.7698	6.6005	3.9029	3.6854	5.5646	2.8816	2.7316	5.1592	2.9335	3.0669	2.8901	3.3108	2.9891	2.6462	3.2203	3.1394	3.0062	3.0062	2.9862	3.0157	3.0194	3.0403	3.3377	3.3785	3.7203	4.7949	3.1320	3.3678	2.6864	2.8532	2.4628	3.5570	2.5647	3.0242	3.8239	2.7164	3.3414	2.5084	2.6860	3.1047	2.7068	3.0483	2.8278	3.0638	3.0638	2.8553	3.8471	4.3400	3.7066	5.0545	3.7774	3.9137	3.0770	2.8414	2.8265	3.9587	4.0680	3.5856	4.2287	3.3591	3.4399
PC 16:0_16:1	9.1407	8.8832	7.4513	9.0033	9.1483	7.6595	8.7562	8.7562	7.5092	8.8521	8.5465	7.4171	12.1593	11.3205	10.0343	10.2238	10.8338	9.4128	10.3192	10.9885	8.5746	8.6258	8.8785	7.6035	8.3007	9.1036	8.0535	8.9434	8.9434	7.5314	9.3898	9.2640	7.8501	9.1590	8.1896	8.1220	11.8549	10.0720	9.8328	8.9516	8.6574	7.8113	9.2109	9.5667	9.4689	10.7365	9.8405	8.6439	8.8979	8.9237	7.5692	7.9600	8.8295	7.6861	8.8181	8.8181	7.7497	10.9295	12.0746	10.2727	15.4821	10.5716	9.6443	9.0524	9.1448	7.7794	11.0464	9.8521	10.0466	11.0291	9.9095	9.7316
PC 16:0_18:1	21.6452	21.4996	22.6204	21.0139	20.9250	22.7219	21.2022	21.2022	22.2156	21.9875	21.3184	21.5138	25.0045	23.9378	23.0030	24.5049	23.6711	23.3054	24.1866	23.1642	23.4952	20.4187	19.0079	21.4576	20.8924	19.5422	21.6337	19.8420	19.8420	21.3278	18.6898	18.5261	20.2975	22.8642	22.5257	22.7887	25.2229	22.5441	22.8187	18.5558	18.5363	19.7792	23.5804	23.2623	23.3462	24.6805	24.2209	23.1485	20.1196	20.1516	22.3060	21.4498	21.1014	22.7929	20.3014	20.3014	21.5163	22.3547	22.8661	21.7093	27.5775	25.3911	24.4916	19.1664	18.4367	19.4264	25.1416	24.3670	24.0164	25.1220	23.2315	22.6686
PC 16:0_18:2	1.7881	1.6770	1.6942	1.8785	1.8197	1.7146	1.7298	1.7298	1.7038													1.8929	1.8400	1.7408	1.7755	1.8504	1.8086	1.8219	1.8219	1.7737	2.0859	1.9039	1.8528							2.0095	1.8828	1.8684							1.8704	1.8869	1.7825	1.7190	1.7366	1.7193	1.9103	1.9103	1.7258							1.9772	1.9264	1.8968						
PC 16:0_20:3	0.7258	0.7910	0.8834	0.8588	0.8907	0.8965	0.8781	0.8781	0.9155													0.8601	0.9095	0.9306	0.8151	0.9044	0.9858	0.9301	0.9301	0.9852	0.8884	0.9407	1.0817							0.8860	1.1000	1.0681							0.8478	0.9079	0.9671	0.7742	0.8777	0.9067	0.9313	0.9313	0.9458							0.9982	1.0191	1.1397						
PC 16:0_20:4	0.8024	0.8682	1.1221	1.0452	1.1380	1.3041	1.1584	1.1584	1.3469	1.2906	0.7939	0.9473	1.5377	1.2552	1.6817	1.2590	1.0156	1.3417	1.1795	0.9237	1.0043	1.1491	1.2190	1.4977	1.1260	1.4571	1.5268	1.4457	1.4457	1.6871	1.4738	1.6364	2.0294	0.7623	0.9447	0.7509	1.4385	2.1042	1.6654	1.3241	2.1109	1.8574	1.2078	1.6788	1.3435	1.0223	1.2233	1.1242	1.0614	1.1670	1.3187	1.0286	1.1100	1.3164	1.3191	1.3191	1.4359	1.1761	1.2777	1.0536	1.5597	1.9579	1.7308	1.5428	1.7041	2.1560	1.5133	1.7917	1.8452	1.3702	1.9872	1.7360
PC 16:0_22:2	0.1854	0.1829	0.1908	0.1606	0.1745	0.1885	0.1727	0.1727	0.1911													0.1622	0.1684	0.1784	0.1658	0.1808	0.1902	0.1761	0.1761	0.1859	0.1636	0.1597	0.1675							0.1587	0.1595	0.1778							0.1763	0.1770	0.1862	0.1734	0.1829	0.1950	0.1785	0.1785	0.1835							0.1694	0.1590	0.1694						
PC 16:0_22:4	0.2151	0.2123	0.3340	0.2388	0.2214	0.3443	0.2141	0.2141	0.3337	0.2096	0.1305	0.2017	0.2254	0.1621	0.2909	0.2000	0.1550	0.2637	0.2007	0.1475	0.2367	0.2290	0.1841	0.3145	0.2228	0.2060	0.3370	0.2135	0.2135	0.3455	0.2206	0.2242	0.3448	0.1705	0.2083	0.1697	0.2174	0.3922	0.2872	0.2277	0.3040	0.3685	0.2317	0.3541	0.2476	0.1928	0.2633	0.2549	0.1961	0.2143	0.3234	0.2179	0.2297	0.3149	0.2324	0.2324	0.3317	0.1715	0.1885	0.1677	0.2276	0.3520	0.2712	0.2379	0.2214	0.3743	0.2386	0.3152	0.2698	0.2151	0.3641	0.2798
PC 16:0_22:5	0.3539	0.3642	0.4421	0.4058	0.4192	0.4525	0.4227	0.4227	0.4859	0.4342	0.3076	0.3371	0.5125	0.4460	0.5583	0.4466	0.3881	0.5280	0.4314	0.3398	0.4020	0.4248	0.4673	0.5180	0.3994	0.5034	0.5851	0.5187	0.5187	0.5582	0.5315	0.5553	0.6789	0.4156	0.4577	0.4014	0.5086	0.6988	0.6168	0.5233	0.6405	0.6631	0.4363	0.6655	0.5141	0.4284	0.5235	0.4841	0.4187	0.4443	0.4998	0.3811	0.4101	0.4960	0.4743	0.4743	0.5440	0.4850	0.5623	0.4347	0.5513	0.6867	0.5977	0.5847	0.5965	0.7244	0.5126	0.6280	0.6342	0.4989	0.7493	0.6699
PC 16:0_22:6	0.1045	0.1245	0.1162	0.1432	0.1619	0.1216	0.1617	0.1617	0.1315	0.2120	0.1199	0.1769	0.2678	0.2083	0.2622	0.1979	0.1878	0.2157	0.2044	0.1651	0.1746	0.1742	0.2212	0.1681	0.1558	0.2514	0.1728	0.2259	0.2259	0.2261	0.2800	0.3139	0.3019	0.1661	0.1945	0.1840	0.2233	0.3120	0.2840	0.2681	0.2827	0.2548	0.1874	0.2346	0.2378	0.1606	0.1922	0.2157	0.1546	0.1670	0.1459	0.1246	0.1524	0.1260	0.2075	0.2075	0.1747	0.3106	0.3761	0.2933	0.2967	0.2995	0.3068	0.2865	0.3363	0.3151	0.2441	0.2914	0.3319	0.2455	0.3469	0.3287
PC 16:1/16:1	0.5586	0.6210	0.5887	0.5947	0.6836	0.6028	0.6410	0.6410	0.5612													0.5939	0.6803	0.5950	0.5500	0.6875	0.6220	0.6751	0.6751	0.5840	0.6676	0.6947	0.6316							0.6242	0.6359	0.6269							0.5643	0.6759	0.5944	0.5141	0.6369	0.6128	0.6505	0.6505	0.5951							0.5974	0.7164	0.6460						
PC 16:1_18:0	2.1521	1.9912	2.0214	2.0367	1.8669	1.9206	1.8512	1.8512	1.9106													2.0321	1.8188	1.9008	1.9857	1.7902	1.8556	1.8197	1.8197	1.8158	1.8317	1.7723	1.7716							1.8423	1.7891	1.7318							1.9998	1.8892	1.9307	2.0241	1.9478	1.9666	1.8328	1.8328	1.8425							1.7973	1.7048	1.7551						
PC 16:1_18:1	4.5715	4.6747	4.4571	4.5147	4.8647	4.5901	4.7441	4.7441	4.4497	3.9707	4.5882	4.6305	3.3440	4.5568	5.1575	3.2735	4.7985	5.1371	3.4252	4.6841	4.4376	4.4380	4.9933	4.4871	4.2829	4.9078	4.7486	4.9266	4.9266	4.5080	4.8284	4.8536	4.5630	4.6308	4.4808	4.4832	3.8474	5.2615	4.9820	4.7615	4.7109	4.5064	4.4384	5.1451	4.7577	3.7849	4.3252	4.3515	4.5268	4.9923	4.5568	4.2774	4.8132	4.7420	4.9023	4.9023	4.5155	4.4417	3.9558	4.1864	3.4948	4.5090	4.3498	4.6045	4.7901	4.5048	3.9134	4.1883	4.8653	3.7623	4.9029	4.9974
PC 16:1_20:3	0.1093	0.1075	0.1292	0.1036	0.1214	0.1275	0.1183	0.1183	0.1295													0.1181	0.1468	0.1463	0.1072	0.1460	0.1531	0.1413	0.1413	0.1475	0.1410	0.1603	0.1796							0.1322	0.1855	0.1693							0.1145	0.1303	0.1469	0.1000	0.1257	0.1362	0.1400	0.1400	0.1398							0.1349	0.1635	0.1855						
PC 16:1_20:4	0.0829	0.1084	0.1289	0.1008	0.1158	0.1449	0.1214	0.1214	0.1560	0.1253	0.0943	0.1254	0.1254	0.1128	0.1758	0.1099	0.1055	0.1627	0.1093	0.0981	0.1379	0.1007	0.1304	0.1549	0.1060	0.1431	0.1673	0.1536	0.1536	0.1690	0.1398	0.1708	0.2223	0.0823	0.0831	0.0794	0.1274	0.1825	0.1781	0.1317	0.2267	0.2071	0.1249	0.1781	0.1281	0.1037	0.1157	0.1288	0.0999	0.1308	0.1392	0.0927	0.1154	0.1471	0.1389	0.1389	0.1582	0.0887	0.0831	0.0758	0.1169	0.1793	0.1629	0.1357	0.1878	0.2403	0.1283	0.1630	0.1645	0.1131	0.1803	0.1440
PC 16:1_22:1	0.1665	0.1496	0.1697	0.1510	0.1525	0.1741	0.1476	0.1476	0.1736													0.1562	0.1523	0.1651	0.1550	0.1477	0.1614	0.1454	0.1454	0.1558	0.1543	0.1513	0.1436							0.1575	0.1463	0.1608							0.1710	0.1504	0.1628	0.1489	0.1630	0.1660	0.1468	0.1468	0.1586							0.1475	0.1476	0.1490						
PC 16:1_22:4	0.0284	0.0368	0.0533	0.0348	0.0412	0.0539	0.0366	0.0366	0.0548	0.0381	0.0252	0.0409	0.0315	0.0274	0.0427	0.0296	0.0278	0.0438	0.0304	0.0266	0.0389	0.0361	0.0313	0.0546	0.0303	0.0345	0.0593	0.0379	0.0379	0.0599	0.0338	0.0349	0.0618	0.0278	0.0326	0.0263	0.0385	0.0652	0.0462	0.0393	0.0482	0.0623	0.0426	0.0567	0.0452	0.0372	0.0431	0.0361	0.0344	0.0332	0.0618	0.0330	0.0355	0.0577	0.0435	0.0435	0.0624	0.0206	0.0248	0.0172	0.0359	0.0525	0.0432	0.0341	0.0411	0.0661	0.0363	0.0481	0.0497	0.0361	0.0549	0.0418
PC 16:1_22:5	0.0449	0.0487	0.0639	0.0500	0.0583	0.0649	0.0645	0.0645	0.0736	0.0637	0.0557	0.0736	0.0598	0.0599	0.0983	0.0499	0.0586	0.0831	0.0562	0.0575	0.0659	0.0567	0.0652	0.0761	0.0554	0.0700	0.0833	0.0765	0.0765	0.0817	0.0684	0.0813	0.1027	0.0550	0.0576	0.0562	0.0690	0.1025	0.0887	0.0735	0.0977	0.0997	0.0756	0.0994	0.0774	0.0634	0.0719	0.0724	0.0533	0.0588	0.0716	0.0524	0.0591	0.0710	0.0699	0.0699	0.0878	0.0559	0.0520	0.0470	0.0650	0.0887	0.0803	0.0769	0.0889	0.1096	0.0685	0.0836	0.0818	0.0573	0.0910	0.0794
PC 18:0_18:1	24.0784	22.3312	22.5150	23.0483	22.2910	22.3923	22.2404	22.2404	22.9032	36.6661	36.9361	34.6188	30.1709	30.0430	27.6960	33.8522	31.2157	27.8684	34.3702	32.3875	31.8823	22.3628	21.4186	21.7988	23.5365	20.7073	21.2815	21.5259	21.5259	20.9314	21.0256	19.9836	19.4215	33.3883	32.1775	32.2899	30.4665	27.7991	28.3182	21.7385	20.4485	20.7168	33.5380	27.9393	28.5622	33.8390	32.1253	31.0453	23.5062	22.0097	21.3218	24.2172	21.3519	21.1224	21.6021	21.6021	21.9223	31.5275	30.3278	32.2559	26.8200	27.5026	28.1658	21.4371	19.9115	20.1532	31.3346	29.5988	27.0227	31.7678	27.1871	27.1834
PC 18:0_18:2	1.7333	1.5870	1.5523	1.8038	1.5202	1.4518	1.6096	1.6096	1.5369	2.8173	2.9543	2.9249	2.8032	2.6532	2.2088	2.9106	2.8377	2.3266	2.8275	2.7095	2.6930	1.9133	1.6257	1.5641	1.8873	1.5876	1.4637	1.5574	1.5574	1.6077	1.7722	1.7148	1.6308	2.6313	2.6586	2.5555	2.8736	2.1077	2.3091	1.7748	1.6011	1.6944	2.6142	2.2278	2.4430	3.0081	2.7100	2.6844	1.8190	1.6367	1.6143	1.8776	1.5580	1.6141	1.5971	1.5971	1.5387	2.8791	3.2872	3.1166	3.0402	2.2379	2.4520	1.7208	1.7041	1.6817	2.7812	2.5748	2.2218	2.9481	2.4616	2.3299
PC 18:0_20:2	0.6408	0.6468	0.5684	0.6430	0.6418	0.5757	0.6330	0.6330	0.5726													0.6713	0.6933	0.5687	0.6463	0.6707	0.5833	0.6467	0.6467	0.5769	0.7080	0.6663	0.5472							0.7224	0.6322	0.5755							0.6533	0.6626	0.5557	0.6489	0.6383	0.5655	0.6565	0.6565	0.5754							0.7118	0.7037	0.5791						
PC 18:0_20:3	1.9461	1.9850	1.7309	2.0524	2.0358	1.8502	2.1577	2.1577	1.8619													2.1722	2.3399	2.0556	2.1534	2.3231	1.9536	2.2603	2.2603	2.1197	2.4098	2.3548	2.3058							2.4829	2.4955	2.3274							2.1437	2.1198	1.8972	2.0199	2.0950	1.8169	2.2324	2.2324	1.8553							2.4115	2.4830	2.2509						
PC 18:0_20:4	1.1885	1.2812	1.5986	1.6214	1.3650	1.8893	1.5435	1.5435	1.7331	2.5705	1.7431	2.4055	3.4440	2.5345	3.1376	2.9956	2.0549	2.5731	2.6918	1.9793	2.5129	1.6701	1.7290	1.8352	1.7151	1.6919	1.8160	1.7333	1.7333	2.5007	1.9752	2.2030	2.7693	1.8648	1.9572	1.7402	2.9391	2.8788	3.0104	1.9270	2.6840	2.7102	2.4145	2.6838	2.7688	2.3967	2.6281	2.4879	1.5262	1.5097	1.7958	1.6005	1.3747	1.8045	1.5885	1.5885	2.0249	2.0947	2.3712	2.2393	3.2835	3.0476	3.2969	1.8236	2.1965	3.0185	3.2175	3.1596	3.0319	2.9011	2.9102	3.0528
PC 18:0_22:4	0.3557	0.4005	0.4640	0.4303	0.3999	0.4653	0.3825	0.3825	0.4320	0.8917	0.6105	0.7870	0.8574	0.5576	0.6988	0.7812	0.6316	0.6954	0.8658	0.5895	0.6929	0.4215	0.4059	0.4532	0.3989	0.4180	0.4476	0.4325	0.4325	0.4752	0.5054	0.5083	0.5869	0.6909	0.6704	0.6303	0.7324	0.7592	0.6912	0.5089	0.5470	0.6114	0.6438	0.7136	0.6746	0.7300	0.7446	0.6773	0.3855	0.3899	0.4541	0.4059	0.3965	0.4172	0.4080	0.4080	0.4185	0.6792	0.8017	0.6807	0.7581	0.7840	0.7013	0.5531	0.4816	0.6193	0.7654	0.7087	0.6185	0.7151	0.7007	0.7005
PC 18:0_22:5	0.3042	0.3253	0.3334	0.3598	0.3677	0.3286	0.3625	0.3625	0.3394	0.6872	0.4892	0.5899	0.8381	0.6279	0.6648	0.7451	0.6010	0.6172	0.7905	0.5415	0.5989	0.4206	0.3940	0.4145	0.3948	0.4253	0.3859	0.4127	0.4127	0.4778	0.5222	0.5387	0.5386	0.5990	0.6365	0.5789	0.6677	0.6206	0.6816	0.5440	0.5492	0.5426	0.5833	0.6021	0.6941	0.6353	0.6238	0.6679	0.3764	0.3676	0.3541	0.3714	0.3395	0.3431	0.3716	0.3716	0.3798	0.6652	0.8381	0.7232	0.7536	0.6768	0.7303	0.4716	0.4983	0.5344	0.6445	0.6817	0.6306	0.7403	0.6786	0.6959
PC 18:0_22:6	0.1453	0.1527	0.1586	0.1843	0.1805	0.1697	0.1821	0.1821	0.1377	0.3448	0.2166	0.2886	0.4460	0.3537	0.3971	0.3593	0.3133	0.3167	0.3477	0.2574	0.3023	0.2282	0.2587	0.2341	0.2333	0.2587	0.2264	0.2476	0.2476	0.2727	0.3857	0.3755	0.3635	0.3130	0.3115	0.3624	0.3570	0.3907	0.4178	0.3759	0.3155	0.3255	0.2762	0.3236	0.3521	0.3027	0.2985	0.3383	0.2048	0.1916	0.1725	0.1685	0.1766	0.1685	0.2060	0.2060	0.1899	0.4176	0.4813	0.4625	0.4491	0.4163	0.4277	0.4203	0.3522	0.3347	0.4113	0.4048	0.4360	0.4044	0.4087	0.4369
PC 18:1/18:1	12.5907	13.8513	13.6826	12.9545	12.7595	13.0288	12.9644	12.9644	13.4974	11.9810	15.3851	17.1993	8.1518	12.8881	14.6796	9.1562	13.9354	17.1465	9.4979	13.9993	15.3488	13.3682	13.4398	13.7579	13.2041	13.0482	12.9881	12.8365	12.8365	13.3516	11.7173	12.5696	12.4652	15.1244	16.9117	17.0660	10.0440	14.9469	14.7949	12.6643	12.0788	12.7956	12.8317	16.3512	16.3539	10.6378	13.2474	15.6701	13.2820	13.4319	13.9876	13.3901	13.9306	13.8848	13.0627	13.0627	13.9195	14.1556	12.4786	14.8030	7.3485	12.4531	13.6884	11.7273	12.7148	12.4498	10.3922	12.4844	14.6782	10.2312	15.1742	15.9898
PC 18:1_18:2	1.7545	1.7483	1.6776	1.7769	1.8167	1.6937	1.7383	1.7383	1.6373	1.5989	2.0727	2.0626	1.2888	1.9787	2.2181	1.3060	2.0497	2.2861	1.4362	2.0588	1.9324	2.0118	1.9677	1.8277	1.8967	1.9819	1.8859	1.9246	1.9246	1.8215	2.2704	2.1103	1.9813	1.9340	2.0925	2.1438	1.4764	2.1978	2.3429	2.1748	1.9937	2.0447	1.7929	2.2074	2.2188	1.5670	1.8056	2.1378	1.9118	1.9316	1.8325	1.7337	1.8154	1.7380	1.8745	1.8745	1.7551	1.8300	1.7395	1.9049	1.3343	1.9614	2.0057	2.2650	2.1528	1.9927	1.5245	1.7587	2.3396	1.5573	2.1631	2.3767
PC 18:1_20:1	3.5160	3.4112	3.3864	3.2516	3.3265	3.2137	3.4855	3.4855	3.3610													3.2731	3.3862	3.2650	3.3447	3.4229	3.2737	3.2769	3.2769	3.0650	3.2501	3.2896	2.9593							3.2485	3.1746	3.1047							3.5191	3.5409	3.2111	3.5976	3.6086	3.3917	3.3832	3.3832	3.3967							3.2245	3.2348	2.9351						
PC 18:1_20:3	0.8192	0.8834	0.9471	0.8437	0.9489	0.9552	0.9488	0.9488	0.9052													1.0055	1.1375	1.0185	0.9420	1.1053	1.0373	1.0709	1.0709	1.1244	1.2207	1.2632	1.3584							1.1579	1.3287	1.3031							0.9113	1.0242	1.0058	0.8466	0.9304	1.0011	0.9933	0.9933	0.9854							1.2529	1.3242	1.3618						
PC 18:1_20:4	0.7408	0.8681	1.0737	0.9902	1.0334	1.2452	1.1103	1.1103	1.2479	1.0292	0.8206	0.9906	1.3288	1.3991	2.0095	1.2166	1.2830	1.7448	1.0608	1.0765	1.3583	1.1423	1.3407	1.4107	1.0793	1.3352	1.4742	1.3349	1.3349	1.6565	1.5382	1.7891	2.1926	0.9026	1.0017	0.8918	1.2744	2.0235	1.9801	1.5337	2.2142	2.1245	1.2892	1.8262	1.5568	1.0172	1.2505	1.3735	1.0266	1.0867	1.2420	0.9109	1.0175	1.2261	1.2596	1.2596	1.3648	0.9519	0.9476	0.9459	1.0669	1.8369	1.7554	1.6152	1.7740	2.2390	1.2378	1.7278	1.8438	1.1935	1.7856	1.7977
PC 18:1_20:5	0.0654	0.0856	0.0891	0.0911	0.1088	0.1033	0.1079	0.1079	0.1019													0.1184	0.1719	0.1370	0.1132	0.1682	0.1447	0.1540	0.1540	0.1604	0.1963	0.2377	0.2461							0.1809	0.2183	0.2054							0.1026	0.1200	0.1061	0.0891	0.1028	0.1040	0.1285	0.1285	0.1259							0.1912	0.2567	0.2549						
PC 18:1_22:4	0.1927	0.2077	0.2793	0.2054	0.2080	0.2779	0.1982	0.1982	0.2803	0.2412	0.1926	0.2836	0.1673	0.1917	0.3042	0.1899	0.2043	0.3368	0.1921	0.1876	0.3048	0.2046	0.1955	0.2831	0.1935	0.2055	0.2761	0.2016	0.2016	0.3057	0.2203	0.2343	0.3476	0.2055	0.2721	0.2338	0.1962	0.3775	0.3099	0.2189	0.2726	0.3443	0.2547	0.3795	0.3255	0.2174	0.2950	0.2969	0.1826	0.1881	0.3033	0.2013	0.1985	0.2587	0.2037	0.2037	0.2832	0.1886	0.1881	0.1768	0.1479	0.3216	0.2907	0.2277	0.2447	0.3433	0.2118	0.2875	0.2981	0.2062	0.3517	0.3285
PC 18:1_22:5	0.2413	0.2851	0.3052	0.3004	0.3061	0.3125	0.3096	0.3096	0.3112	0.3096	0.3034	0.3500	0.3144	0.3873	0.5255	0.3160	0.3852	0.4738	0.3105	0.3554	0.4161	0.3340	0.3901	0.3772	0.2982	0.3963	0.4054	0.3787	0.3787	0.4290	0.4850	0.4976	0.5419	0.3540	0.3929	0.3976	0.3418	0.5655	0.5297	0.4660	0.5195	0.5416	0.3674	0.5351	0.4748	0.3346	0.4013	0.4639	0.3069	0.3498	0.3564	0.2703	0.3114	0.3390	0.3533	0.3533	0.3609	0.3539	0.3571	0.3499	0.2837	0.4899	0.4753	0.4731	0.5053	0.5227	0.3605	0.4383	0.5167	0.3377	0.5388	0.5102
PC 18:1_22:6	0.1854	0.2204	0.1842	0.2241	0.2497	0.1935	0.2626	0.2626	0.1821	0.2714	0.2673	0.2649	0.3209	0.3955	0.4700	0.3118	0.3650	0.3888	0.3065	0.3289	0.3226	0.2719	0.3576	0.2675	0.2695	0.3781	0.2671	0.3470	0.3470	0.2857	0.4594	0.5229	0.4456	0.3207	0.3645	0.3279	0.2881	0.4656	0.4466	0.4478	0.4946	0.4244	0.3013	0.4044	0.3849	0.2801	0.3337	0.3554	0.2335	0.2800	0.2113	0.1995	0.2459	0.1948	0.2979	0.2979	0.2242	0.3753	0.3808	0.3770	0.2523	0.4062	0.4182	0.4574	0.5295	0.4354	0.3167	0.3784	0.4712	0.3190	0.4631	0.4804
PC 18:2_22:5	0.0161	0.0184	0.0211	0.0174	0.0189	0.0223	0.0202	0.0202	0.0203													0.0241	0.0274	0.0314	0.0209	0.0257	0.0306	0.0257	0.0257	0.0307	0.0309	0.0341	0.0406							0.0306	0.0443	0.0444							0.0194	0.0204	0.0237	0.0189	0.0174	0.0286	0.0245	0.0245	0.0272							0.0299	0.0378	0.0427						
PE 14:0_16:0	0.0372	0.0345	0.0398	0.0347	0.0319	0.0345	0.0354	0.0354	0.0361													0.0363	0.0340	0.0343	0.0353	0.0309	0.0342	0.0319	0.0319	0.0333	0.0311	0.0342	0.0305							0.0315	0.0306	0.0302							0.0342	0.0349	0.0332	0.0378	0.0356	0.0410	0.0344	0.0344	0.0324							0.0285	0.0304	0.0314						
PE 14:0_18:1	0.0744	0.0707	0.0799	0.0651	0.0767	0.0716	0.0750	0.0750	0.0700													0.0672	0.0752	0.0692	0.0672	0.0726	0.0703	0.0726	0.0726	0.0588	0.0730	0.0743	0.0611							0.0633	0.0610	0.0477							0.0778	0.0713	0.0677	0.0740	0.0743	0.0750	0.0757	0.0757	0.0681							0.0717	0.0725	0.0615						
PE 16:0/16:0	0.0822	0.0776	0.0931	0.0897	0.0747	0.0878	0.0684	0.0684	0.0890	0.1010	0.0581	0.0671	0.0854	0.0591	0.0711	0.0855	0.0609	0.0633	0.0866	0.0512	0.0644	0.0724	0.0679	0.0746	0.0708	0.0677	0.0765	0.0667	0.0667	0.0651	0.0614	0.0638	0.0605	0.0528	0.0593	0.0676	0.0653	0.0623	0.0616	0.0484	0.0543	0.0534	0.0497	0.0593	0.0545	0.0539	0.0511	0.0467	0.0710	0.0639	0.0854	0.0747	0.0773	0.0814	0.0697	0.0697	0.0749	0.0601	0.0727	0.0643	0.0615	0.0642	0.0648	0.0546	0.0565	0.0570	0.0595	0.0603	0.0641	0.0520	0.0634	0.0689
PE 16:0_16:1	0.4516	0.4255	0.3960	0.4580	0.4405	0.3886	0.4371	0.4371	0.3730	0.4334	0.4477	0.4023	0.5223	0.6099	0.5940	0.4714	0.5894	0.5480	0.4928	0.5817	0.5190	0.4381	0.4617	0.3430	0.4139	0.4505	0.3472	0.4347	0.4347	0.3549	0.5233	0.4707	0.3644	0.4477	0.4756	0.5017	0.5060	0.4999	0.6212	0.4999	0.4453	0.3355	0.4463	0.5074	0.5401	0.4876	0.4920	0.5105	0.4550	0.4341	0.3729	0.4098	0.4204	0.3772	0.4373	0.4373	0.3553	0.5871	0.6721	0.6258	0.5976	0.5574	0.5637	0.5102	0.4940	0.3764	0.5018	0.5364	0.5918	0.4939	0.5514	0.5796
PE 16:0_18:0	1.1331	1.0045	1.2998	1.0797	0.9581	1.1935	0.9007	0.9007	1.1546	0.9987	0.8343	0.8868	0.9199	0.8281	0.8784	0.9082	0.7474	0.7969	0.8627	0.7326	0.7601	0.8552	0.7507	0.9763	0.9421	0.8044	1.0759	0.7996	0.7996	0.9893	0.7339	0.6871	0.7595	0.8205	0.7570	0.9199	0.8478	0.8240	0.8631	0.6715	0.6157	0.6484	0.7039	0.8295	0.7730	0.7090	0.7103	0.7702	0.9274	0.7758	1.1861	0.9783	0.8998	1.2127	0.8846	0.8846	1.0737	0.8578	0.8973	0.9082	0.8813	0.8547	0.8573	0.6752	0.6346	0.7760	0.8482	0.8473	0.9149	0.8566	0.8407	0.8507
PE 16:0_18:1	3.9026	3.9308	3.5175	3.7848	3.7417	3.2850	3.5336	3.5336	3.3088	3.8262	3.4730	3.3186	4.1408	3.9876	3.8332	3.9858	4.1163	3.8727	3.5692	3.9978	3.5733	3.4057	3.4035	3.0821	3.3750	3.6784	3.2181	3.3236	3.3236	2.9047	3.3353	3.3121	2.8943	3.9883	4.1798	3.9429	4.0411	4.3583	3.8183	3.1474	3.1946	2.8602	3.6288	4.4564	3.4770	3.8367	4.2656	3.4973	3.6479	3.3754	3.2304	3.4489	3.6519	3.2312	3.2347	3.2347	3.1423	4.7654	4.7304	3.9676	4.4334	4.6012	3.7795	3.5422	3.2655	2.9854	3.9820	4.1531	4.0270	4.1012	4.8834	4.1298
PE 16:0_18:2	0.1881	0.1797	0.1607	0.1979	0.1992	0.1608	0.1864	0.1864	0.1617													0.1772	0.1962	0.1534	0.1706	0.1960	0.1659	0.1933	0.1933	0.1493	0.2335	0.2189	0.1765							0.2114	0.2101	0.1596							0.1849	0.1836	0.1532	0.1753	0.1958	0.1611	0.1846	0.1846	0.1635							0.2320	0.2238	0.1840						
PE 16:0_20:3	0.1823	0.1918	0.1815	0.1903	0.1903	0.1670	0.2033	0.2033	0.1724													0.1929	0.2260	0.1815	0.1799	0.2100	0.1865	0.2171	0.2171	0.1785	0.2474	0.2230	0.2014							0.2267	0.2475	0.1824							0.2016	0.2032	0.1720	0.1698	0.1851	0.1726	0.2032	0.2032	0.1748							0.2629	0.2413	0.2026						
PE 16:0_20:4	0.4475	0.4508	0.3979	0.5200	0.5418	0.4282	0.5689	0.5689	0.4425	0.8067	0.7032	0.5354	1.1934	0.9523	0.8946	0.8712	0.9178	0.7835	0.8734	0.9361	0.6829	0.5833	0.7141	0.4888	0.5278	0.7226	0.5040	0.6512	0.6512	0.5593	0.8651	0.9383	0.6808	0.8027	0.8098	0.8421	0.8965	0.9020	0.9390	0.8028	0.8921	0.6368	0.7774	0.8996	0.8204	0.7540	0.8331	0.8269	0.5329	0.5924	0.4596	0.4584	0.5512	0.4356	0.6061	0.6061	0.4684	0.9955	1.1736	0.9442	1.0747	1.0334	0.8923	0.8845	0.9305	0.6970	0.8983	0.9674	1.0108	0.8686	1.0922	0.9919
PE 16:0_22:2	0.0269	0.0279	0.0372	0.0252	0.0253	0.0344	0.0281	0.0281	0.0326													0.0243	0.0243	0.0280	0.0252	0.0241	0.0342	0.0253	0.0253	0.0286	0.0217	0.0195	0.0233							0.0274	0.0217	0.0220							0.0269	0.0242	0.0301	0.0260	0.0296	0.0313	0.0245	0.0245	0.0286							0.0231	0.0218	0.0271						
PE 16:0_22:4	0.0882	0.0751	0.0969	0.0863	0.0868	0.1073	0.0849	0.0849	0.1225	0.1201	0.1042	0.1304	0.1215	0.0855	0.1147	0.1000	0.0911	0.1109	0.0986	0.0863	0.1113	0.0928	0.0836	0.1109	0.0892	0.0886	0.1137	0.0818	0.0818	0.1128	0.0889	0.0889	0.1213	0.1078	0.1229	0.0980	0.1407	0.1514	0.1188	0.0939	0.1107	0.1182	0.1241	0.1334	0.1022	0.1279	0.1406	0.0953	0.0902	0.0820	0.1074	0.0973	0.0858	0.1156	0.0905	0.0905	0.1253	0.1436	0.1783	0.1006	0.1580	0.1596	0.1110	0.1021	0.0956	0.1362	0.1476	0.1627	0.1251	0.1386	0.1868	0.1126
PE 16:0_22:5	0.0970	0.0988	0.1037	0.1163	0.1095	0.1169	0.1076	0.1076	0.1306	0.1472	0.1354	0.1433	0.1815	0.1475	0.1664	0.1375	0.1403	0.1443	0.1391	0.1513	0.1360	0.1163	0.1274	0.1364	0.1128	0.1381	0.1338	0.1373	0.1373	0.1446	0.1636	0.1688	0.1815	0.1500	0.1635	0.1391	0.2101	0.2135	0.1750	0.1510	0.1832	0.1492	0.1737	0.2029	0.1426	0.1853	0.1674	0.1382	0.1187	0.1205	0.1228	0.1006	0.1143	0.1237	0.1294	0.1294	0.1451	0.2398	0.3008	0.1826	0.2412	0.2334	0.1717	0.1623	0.1559	0.1793	0.2105	0.2380	0.1945	0.2321	0.2669	0.1958
PE 16:0_22:6	0.0833	0.0724	0.0872	0.0956	0.0905	0.0873	0.0915	0.0915	0.0988	0.1178	0.1201	0.1269	0.1663	0.1372	0.1634	0.1418	0.1376	0.1559	0.1385	0.1490	0.1339	0.1148	0.1194	0.1119	0.0951	0.1318	0.1118	0.1141	0.1141	0.1338	0.1632	0.1615	0.1585	0.1534	0.1736	0.1487	0.1870	0.1701	0.1494	0.1480	0.1394	0.1139	0.1640	0.1747	0.1345	0.1636	0.1710	0.1341	0.0972	0.0969	0.0977	0.0912	0.0873	0.1054	0.1065	0.1065	0.1174	0.2658	0.3252	0.2116	0.2300	0.2174	0.1559	0.1523	0.1562	0.1543	0.2054	0.2291	0.1795	0.2068	0.2398	0.1733
PE 16:1_18:0	3.6119	3.4638	2.9770	3.2961	3.4049	2.8865	3.2487	3.2487	2.6880													3.3815	3.2826	2.9298	3.3584	3.4535	2.8709	3.1123	3.1123	2.5931	3.4179	3.2362	2.7648							3.1694	3.0923	2.9961							3.4595	3.3589	3.0215	3.4340	3.3031	2.7896	3.1170	3.1170	2.7700							3.4730	3.2342	2.6493						
PE 16:1_18:1	1.0931	1.2227	1.0145	1.1508	1.3087	1.0132	1.2711	1.2711	1.0394	1.1073	1.2166	1.0633	1.4511	1.6792	1.5640	1.2498	1.6009	1.3466	1.2933	1.6187	1.2127	1.1094	1.3699	0.9797	1.0967	1.3424	1.0251	1.2845	1.2845	0.9798	1.3563	1.3942	1.0603	1.4049	1.2743	1.4050	1.4584	1.3052	1.6511	1.3191	1.3313	0.9784	1.3269	1.3041	1.4087	1.3607	1.3054	1.3922	1.1466	1.3173	0.9833	1.0454	1.2702	0.9869	1.2543	1.2543	1.0140	1.5666	1.5621	1.5732	1.6796	1.4825	1.4952	1.3425	1.4762	1.1065	1.3868	1.3390	1.6215	1.4641	1.3917	1.5322
PE 16:1_20:3	0.0279	0.0346	0.0324	0.0310	0.0366	0.0372	0.0360	0.0360	0.0293													0.0323	0.0412	0.0320	0.0329	0.0396	0.0354	0.0417	0.0417	0.0325	0.0383	0.0413	0.0362							0.0420	0.0496	0.0344							0.0389	0.0383	0.0319	0.0309	0.0347	0.0334	0.0402	0.0402	0.0369							0.0412	0.0463	0.0365						
PE 16:1_20:4	0.0500	0.0547	0.0510	0.0616	0.0663	0.0616	0.0694	0.0694	0.0688	0.0894	0.0665	0.0760	0.1163	0.0876	0.0996	0.1087	0.0869	0.0852	0.1046	0.0881	0.0900	0.0621	0.0630	0.0696	0.0656	0.0687	0.0620	0.0745	0.0745	0.0591	0.0647	0.0746	0.0685	0.0871	0.0744	0.0816	0.0903	0.0935	0.0949	0.0870	0.1082	0.0848	0.0968	0.0988	0.0969	0.0908	0.0954	0.0983	0.0553	0.0684	0.0571	0.0539	0.0681	0.0587	0.0619	0.0619	0.0661	0.0492	0.0487	0.0471	0.0685	0.0668	0.0788	0.0636	0.0742	0.0794	0.0619	0.0699	0.0802	0.0632	0.0623	0.0736
PE 16:1_22:1	0.2229	0.2368	0.2541	0.2333	0.2306	0.2760	0.2490	0.2490	0.2940													0.2428	0.2463	0.2770	0.2251	0.2501	0.2668	0.2442	0.2442	0.2712	0.2247	0.2263	0.2470							0.2761	0.2158	0.2495							0.2420	0.2354	0.2720	0.2392	0.2376	0.2872	0.2415	0.2415	0.2963							0.2395	0.2197	0.2551						
PE 16:1_22:4	0.0158	0.0151	0.0185	0.0154	0.0153	0.0157	0.0156	0.0156	0.0180	0.0187	0.0119	0.0171	0.0238	0.0160	0.0176	0.0166	0.0190	0.0188	0.0168	0.0156	0.0180	0.0148	0.0160	0.0201	0.0163	0.0153	0.0156	0.0137	0.0137	0.0149	0.0114	0.0123	0.0130	0.0177	0.0165	0.0149	0.0250	0.0233	0.0229	0.0174	0.0222	0.0189	0.0189	0.0215	0.0206	0.0228	0.0179	0.0198	0.0134	0.0149	0.0181	0.0142	0.0162	0.0164	0.0179	0.0179	0.0180	0.0128	0.0156	0.0111	0.0196	0.0152	0.0132	0.0122	0.0144	0.0140	0.0155	0.0147	0.0136	0.0153	0.0179	0.0141
PE 16:1_22:5	0.0200	0.0199	0.0187	0.0152	0.0225	0.0213	0.0189	0.0189	0.0199	0.0277	0.0205	0.0238	0.0299	0.0229	0.0217	0.0246	0.0225	0.0245	0.0269	0.0195	0.0227	0.0187	0.0207	0.0211	0.0205	0.0191	0.0200	0.0194	0.0194	0.0192	0.0147	0.0164	0.0169	0.0244	0.0192	0.0216	0.0258	0.0231	0.0245	0.0220	0.0254	0.0182	0.0220	0.0237	0.0258	0.0260	0.0216	0.0270	0.0198	0.0204	0.0192	0.0203	0.0192	0.0200	0.0188	0.0188	0.0217	0.0176	0.0165	0.0172	0.0197	0.0188	0.0176	0.0146	0.0159	0.0186	0.0176	0.0200	0.0161	0.0189	0.0164	0.0168
PE 18:0/18:0	0.1803	0.1544	0.2188	0.1691	0.1355	0.1792	0.1318	0.1318	0.1805	0.2326	0.2221	0.2163	0.2074	0.1979	0.1817	0.1950	0.2048	0.1870	0.2004	0.2065	0.2094	0.1612	0.1605	0.1962	0.1544	0.1736	0.2092	0.1602	0.1602	0.1864	0.1967	0.1622	0.1539	0.2309	0.2052	0.2295	0.1790	0.1710	0.1703	0.1589	0.1050	0.1358	0.1749	0.1767	0.1752	0.1977	0.1849	0.2184	0.1667	0.1303	0.2171	0.1421	0.1358	0.2077	0.1500	0.1500	0.1803	0.2450	0.2713	0.2942	0.2135	0.2082	0.1920	0.1847	0.1279	0.1403	0.1977	0.1715	0.1878	0.1560	0.1989	0.1900
PE 18:0_18:1	33.1093	33.4135	38.9810	35.2312	30.9889	36.6902	32.0063	32.0063	37.0372	37.5611	38.5053	42.5997	35.8765	38.6986	39.3239	36.4378	38.4213	41.2307	38.1225	37.1622	42.2493	32.0564	30.0266	35.2877	33.8821	28.4279	35.3872	30.3440	30.3440	34.9553	28.5497	28.2470	31.7377	36.6173	37.7246	37.1100	38.5383	39.1638	38.9640	30.5540	29.4667	31.8898	40.4191	39.3244	40.2550	41.0033	40.4955	39.9054	33.7302	30.2250	36.3849	34.4586	32.7653	36.3346	30.2899	30.2899	35.7252	35.7667	34.8520	36.5942	37.6035	38.4477	39.1487	28.4621	28.3254	32.6555	39.8147	40.0298	38.1696	39.4407	37.5041	38.2925
PE 18:0_18:2	3.4494	3.1504	2.8352	3.1375	3.1113	2.7281	3.0897	3.0897	2.7267	4.0334	4.3648	3.9956	3.9831	4.0555	3.9399	4.2104	4.4305	4.1903	4.1543	4.5077	4.1703	3.2960	3.2162	2.9808	3.0884	3.2489	2.7733	3.0421	3.0421	2.6676	3.5481	3.0731	2.9850	3.9887	3.6965	4.2973	3.5218	3.7429	4.0637	3.0332	3.0817	2.8449	3.6870	3.7428	3.9264	3.6971	3.6581	4.1688	3.2253	3.1289	2.8982	3.2052	2.9996	2.7362	3.1696	3.1696	2.7573	4.1652	4.0445	4.0436	3.5342	3.6535	3.9210	3.2737	3.0929	2.8820	3.5632	3.4954	4.0415	3.6019	3.8191	4.0256
PE 18:0_20:2	2.5940	2.4447	2.8097	2.6283	2.4711	2.7891	2.5738	2.5738	2.8356													2.5048	2.6353	2.9050	2.6666	2.5993	2.7896	2.5778	2.5778	2.7957	2.5442	2.3976	2.6091							2.6514	2.3364	2.6094							2.5351	2.5074	2.7811	2.5806	2.5062	2.8460	2.5233	2.5233	2.8358							2.5908	2.4701	2.6441						
PE 18:0_20:3	7.6341	7.2752	7.4946	7.4907	7.4739	7.5931	7.5589	7.5589	8.2010													7.9055	8.0161	7.8549	7.6980	7.7205	7.8445	7.9646	7.9646	8.1467	8.6633	7.8963	7.7923							8.7414	7.5696	7.6246							8.0133	7.8909	7.2553	7.5020	7.3183	8.1877	7.9094	7.9094	8.3585							8.2674	7.6699	8.1056						
PE 18:0_20:4	14.4593	14.1922	12.0034	13.9091	15.1113	13.7054	14.7236	14.7236	13.4977	22.7049	19.8615	19.5523	20.2954	17.8891	18.9108	21.9419	17.8455	17.9315	21.7760	18.9019	19.1971	15.5958	15.8461	14.2449	15.2580	15.7926	14.5193	15.7088	15.7088	15.5086	15.2911	15.8594	16.6649	19.0552	18.4121	19.0335	17.5163	18.1554	18.6303	14.7765	16.1842	16.8032	18.1586	18.0146	19.7255	17.9131	17.4439	19.5987	14.6098	16.0596	14.0887	15.0808	14.6247	13.4673	16.0310	16.0310	14.2081	15.2892	15.4495	17.0880	17.5654	17.7402	19.6462	15.8682	15.9238	16.1812	17.7157	18.2628	18.7033	17.1338	17.9160	18.5329
PE 18:0_22:4	1.8541	1.7806	2.1539	2.0660	1.9760	2.2564	1.8199	1.8199	2.1924	2.6304	2.1966	2.7662	2.6681	2.1721	2.5807	2.5413	2.2650	2.8973	2.6185	2.1447	2.5204	2.1014	1.9211	2.4095	2.1268	1.9603	2.5041	2.0525	2.0525	2.5232	2.1550	1.9672	2.4889	2.6077	2.7638	2.2786	2.7314	2.8967	2.7082	2.5642	2.2824	2.7899	2.5799	3.0609	2.5450	2.7691	2.9087	2.7472	1.9325	1.7774	2.3129	2.0656	1.9415	2.3314	1.9279	1.9279	2.4339	3.0275	3.2792	2.8253	2.7413	2.7168	2.4746	2.1521	2.1480	2.4226	2.5032	2.7604	2.4328	2.8136	2.9189	2.6561
PE 18:0_22:5	2.0303	1.9452	1.7597	2.0063	2.1217	1.8650	2.1403	2.1403	1.9092	2.5353	2.5476	2.7000	3.2040	2.9036	2.9278	3.0319	2.7464	3.0511	2.7803	2.8631	3.0105	2.3157	2.4253	2.2785	2.2339	2.4359	2.1160	2.4133	2.4133	2.1471	2.7470	2.6112	2.3850	2.7751	2.8441	2.8733	3.1546	3.3087	3.0855	2.6880	2.7010	2.4788	3.2385	3.3357	3.1110	3.0606	2.9725	2.9583	2.1000	2.3832	2.1285	2.0543	2.1265	2.0551	2.4233	2.4233	2.0051	3.5649	4.1506	3.7198	3.0120	2.8518	2.8098	2.5064	2.4238	2.4908	3.0065	2.9233	2.9351	3.0219	3.3054	3.0520
PE 18:0_22:6	1.6371	1.6344	1.1915	1.6151	1.8380	1.3080	1.5333	1.5333	1.1700	1.9545	2.0376	1.9143	2.9712	2.6876	2.6208	2.6653	2.8272	2.6323	2.5023	2.7820	2.5033	1.8331	2.2159	1.5474	1.6894	2.2413	1.5899	1.9425	1.9425	1.6574	2.2910	2.5096	1.9520	2.7643	2.8762	2.7884	2.7903	2.6905	2.6641	2.4074	2.2065	1.8761	2.4758	2.8037	2.6271	2.5420	2.6021	2.7225	1.8366	2.0034	1.3629	1.5049	1.6660	1.3837	1.8314	1.8314	1.3840	4.0541	4.1012	3.6930	2.9225	2.9858	2.6049	2.4099	2.7179	1.9888	2.9597	2.9272	2.9500	3.0250	3.0769	3.0935
PE 18:1/18:1	14.3917	14.7848	12.4297	12.9020	14.6352	12.7952	14.5826	14.5826	12.1509	15.3891	17.7898	15.0085	14.9105	16.4978	14.9071	15.3938	16.8838	14.5329	14.5728	16.7031	14.0599	13.6220	13.0291	12.4432	12.8802	14.0752	11.7743	13.6786	13.6786	11.6510	13.2599	13.6004	12.2427	17.6515	17.2959	17.0352	16.9531	15.3599	14.7054	12.0040	12.7063	12.4260	16.4485	15.1606	14.5705	15.5467	16.2884	14.6272	12.8547	14.5670	12.4931	13.2815	14.2051	12.3015	13.9726	13.9726	11.7522	18.2572	17.5450	17.3785	16.5033	15.9579	15.1214	13.1890	13.2726	11.4671	16.2272	15.0482	15.4380	16.5497	15.5618	15.3068
PE 18:1_18:2	1.3027	1.4549	1.2278	1.3149	1.6212	1.2168	1.6370	1.6370	1.2300	1.3886	1.4601	1.2147	1.5449	1.4978	1.3852	1.2613	1.4797	1.1838	1.3048	1.5907	1.1081	1.2806	1.6586	1.1847	1.2496	1.7130	1.2656	1.6092	1.6092	1.1852	1.6224	1.7526	1.4475	1.5560	1.4568	1.5883	1.3730	1.1972	1.4157	1.4323	1.6629	1.1933	1.1788	1.1909	1.1632	1.2423	1.1188	1.2129	1.3857	1.5386	1.2172	1.1661	1.5571	1.2037	1.6503	1.6503	1.2980	1.7175	1.7191	1.6020	1.5051	1.3362	1.3267	1.5709	1.7588	1.3514	1.2661	1.2447	1.4693	1.3528	1.3395	1.4155
PE 18:1_20:1	2.1243	2.2837	2.5455	2.1313	2.3662	2.4407	2.3761	2.3761	2.5634													2.0265	2.1493	2.3286	2.1004	2.2833	2.4440	2.2723	2.2723	2.3290	1.9858	2.0446	2.1587							2.2793	2.0682	2.2205							2.1160	2.2096	2.3402	2.1583	2.3984	2.6114	2.2535	2.2535	2.4660							1.9996	2.0667	2.1066						
PE 18:1_20:3	1.0307	1.0411	0.9565	1.0742	1.1701	1.1022	1.1965	1.1965	1.0402													1.1739	1.3029	1.1674	1.1074	1.3257	1.1707	1.2835	1.2835	1.1204	1.4004	1.4519	1.2520							1.3143	1.4014	1.2238							1.1368	1.1687	1.1121	1.1352	1.1736	1.0785	1.2667	1.2667	1.1269							1.4340	1.4268	1.2328						
PE 18:1_20:4	1.3585	1.5985	1.4456	1.6160	1.9461	1.6444	2.0434	2.0434	1.6613	2.3440	2.3874	1.8553	3.4520	3.0472	3.0884	2.5916	2.7225	2.5797	2.7223	3.0253	2.1665	1.8413	2.5089	1.7643	1.7548	2.5421	1.8574	2.4332	2.4332	2.0394	2.4942	3.1419	2.5689	2.8799	2.8014	2.8993	2.7781	2.7662	3.2385	2.6685	3.2657	2.4769	2.4095	2.6694	2.6973	2.4735	2.3895	2.7385	1.7076	1.9258	1.5929	1.5290	1.9177	1.6211	2.2869	2.2869	1.8653	2.3486	2.4823	2.3475	2.8932	2.8671	2.9696	2.5616	3.2303	2.6560	2.5435	2.6619	3.0867	2.5332	2.7549	2.9477
PE 18:1_20:5	0.0974	0.1143	0.1055	0.1122	0.1446	0.1115	0.1515	0.1515	0.1068													0.1346	0.1819	0.1196	0.1223	0.1845	0.1238	0.1801	0.1801	0.1336	0.1899	0.2311	0.1804							0.1989	0.2157	0.1650							0.1242	0.1370	0.1036	0.1052	0.1359	0.1135	0.1586	0.1586	0.1219							0.1861	0.2446	0.1862						
PE 18:1_22:4	0.3949	0.4201	0.4531	0.4352	0.4772	0.5173	0.4575	0.4575	0.5178	0.5816	0.5542	0.6275	0.6480	0.5241	0.5672	0.6110	0.5277	0.6206	0.5337	0.5253	0.5764	0.4596	0.4501	0.5035	0.4380	0.4955	0.5706	0.4802	0.4802	0.5329	0.4296	0.4594	0.5532	0.6496	0.6300	0.5598	0.7110	0.7582	0.5861	0.4822	0.5573	0.6337	0.6743	0.7074	0.5695	0.6573	0.6690	0.5741	0.4314	0.4642	0.5490	0.4719	0.4371	0.5107	0.4691	0.4691	0.5483	0.6323	0.6128	0.5158	0.6643	0.6692	0.5112	0.4735	0.4626	0.5316	0.6458	0.6302	0.5294	0.6214	0.6838	0.5379
PE 18:1_22:5	0.2331	0.2842	0.2580	0.2799	0.3349	0.2740	0.3386	0.3386	0.3106	0.4941	0.4899	0.4393	0.6077	0.5958	0.5820	0.5031	0.5378	0.5190	0.5119	0.5799	0.4617	0.2941	0.3952	0.3163	0.2851	0.3996	0.3213	0.3834	0.3834	0.3173	0.3652	0.4426	0.3926	0.5863	0.5730	0.5228	0.6162	0.5878	0.5805	0.4170	0.4946	0.3896	0.5472	0.5484	0.5324	0.5564	0.5105	0.4992	0.2912	0.3438	0.3152	0.2752	0.3249	0.3100	0.3600	0.3600	0.3402	0.6396	0.6693	0.5719	0.6604	0.5898	0.5315	0.4116	0.4516	0.4044	0.6048	0.5817	0.5766	0.5968	0.6173	0.5800
PE 18:2_22:5	0.0281	0.0243	0.0240	0.0288	0.0372	0.0266	0.0323	0.0323	0.0267													0.0241	0.0378	0.0259	0.0235	0.0390	0.0303	0.0397	0.0397	0.0265	0.0388	0.0468	0.0368							0.0288	0.0352	0.0237							0.0267	0.0323	0.0241	0.0233	0.0362	0.0257	0.0401	0.0401	0.0292							0.0396	0.0460	0.0388
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
PC 14:0_16:0									
PC 14:0_16:1									
PC 14:0_18:1									
PC 14:0_18:2									
PC 16:0/16:0									
PC 16:0_16:1									
PC 16:0_18:1									
PC 16:0_18:2									
PC 16:0_20:3									
PC 16:0_20:4									
PC 16:0_22:2									
PC 16:0_22:4									
PC 16:0_22:5									
PC 16:0_22:6									
PC 16:1/16:1									
PC 16:1_18:0									
PC 16:1_18:1									
PC 16:1_20:3									
PC 16:1_20:4									
PC 16:1_22:1									
PC 16:1_22:4									
PC 16:1_22:5									
PC 18:0_18:1									
PC 18:0_18:2									
PC 18:0_20:2									
PC 18:0_20:3									
PC 18:0_20:4									
PC 18:0_22:4									
PC 18:0_22:5									
PC 18:0_22:6									
PC 18:1/18:1									
PC 18:1_18:2									
PC 18:1_20:1									
PC 18:1_20:3									
PC 18:1_20:4									
PC 18:1_20:5									
PC 18:1_22:4									
PC 18:1_22:5									
PC 18:1_22:6									
PC 18:2_22:5									
PE 14:0_16:0									
PE 14:0_18:1									
PE 16:0/16:0									
PE 16:0_16:1									
PE 16:0_18:0									
PE 16:0_18:1									
PE 16:0_18:2									
PE 16:0_20:3									
PE 16:0_20:4									
PE 16:0_22:2									
PE 16:0_22:4									
PE 16:0_22:5									
PE 16:0_22:6									
PE 16:1_18:0									
PE 16:1_18:1									
PE 16:1_20:3									
PE 16:1_20:4									
PE 16:1_22:1									
PE 16:1_22:4									
PE 16:1_22:5									
PE 18:0/18:0									
PE 18:0_18:1									
PE 18:0_18:2									
PE 18:0_20:2									
PE 18:0_20:3									
PE 18:0_20:4									
PE 18:0_22:4									
PE 18:0_22:5									
PE 18:0_22:6									
PE 18:1/18:1									
PE 18:1_18:2									
PE 18:1_20:1									
PE 18:1_20:3									
PE 18:1_20:4									
PE 18:1_20:5									
PE 18:1_22:4									
PE 18:1_22:5									
PE 18:2_22:5									
METABOLITES_END
#END