#METABOLOMICS WORKBENCH Andre_Gollowitzer_20240705_020530 DATATRACK_ID:4979 STUDY_ID:ST003320 ANALYSIS_ID:AN005434 PROJECT_ID:PR002065 VERSION 1 CREATED_ON July 14, 2024, 12:14 pm #PROJECT PR:PROJECT_TITLE Changes in phospholipid fatty acid composition under cytotoxic stress facilitate PR:PROJECT_TITLE peroxidation PR:PROJECT_SUMMARY Programs leading to cell death, such as apoptosis, necroptosis, and ferroptosis, PR:PROJECT_SUMMARY involve an oxidative component linked to lipid metabolism that influences PR:PROJECT_SUMMARY membrane homeostasis. Emerging evidence suggests inter-program cross-talk, PR:PROJECT_SUMMARY emphasizing the need for overarching regulatory mechanisms. We show that under PR:PROJECT_SUMMARY specific cytotoxic stress conditions, exogenous or released polyunsaturated PR:PROJECT_SUMMARY fatty acids (PUFAs) are channeled into overall depleting phospholipids that PR:PROJECT_SUMMARY become vulnerable to peroxidation in the presence of associated redox stress. In PR:PROJECT_SUMMARY fibroblasts, this reprogramming results from reduced growth factor receptor PR:PROJECT_SUMMARY tyrosine kinase (RTK) and phosphatidylinositol-3-kinase (PI3K)/Akt signaling, PR:PROJECT_SUMMARY which reduces de novo fatty acid biosynthesis by mechanisms that differ PR:PROJECT_SUMMARY depending on the specific cytotoxic stressors. We conclude that alterations in PR:PROJECT_SUMMARY PUFA metabolism during cytotoxic stress render cells prone to oxidative PR:PROJECT_SUMMARY modifications in phospholipids. 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). German Research Council (GRK 1715 and KO PR:FUNDING_SOURCE 4589/4-1), the Phospholipid Research Center Heidelberg (AKO-2015-037/1-1, PR:FUNDING_SOURCE AKO-2019-070/2-1, AKO-2O22-100/2-2), the University of Jena (DRM/2013-05 and PR:FUNDING_SOURCE 2.7-05). PR:CONTRIBUTORS André Gollowitzer, Helmut Pein, Konstantin Loeser, Maria Thuermer, and Andreas PR:CONTRIBUTORS Koeberle #STUDY ST:STUDY_TITLE Time-dependent changes in the phosphatidylcholine fatty acid composition of ST:STUDY_TITLE fibroblasts treated with acetyl-CoA carboxylase inhibitors ST:STUDY_SUMMARY Inhibition of acetyl-CoA carboxylase in NIH-3T3 fibroblasts by soraphen A or ST:STUDY_SUMMARY 5-(tetradecyloxy)-2-furoic acid (TOFA) and time-dependent analysis (0.17 h, 1 h, ST:STUDY_SUMMARY 6 h, 24 h, 48 h) of the phosphatidylcholine fatty acid composition. ST:INSTITUTE University of Innsbruck ST:LAST_NAME Koeberle ST:FIRST_NAME Andreas ST:ADDRESS Mitterweg 24, Innsbruck, Tyrol, 6020, Austria ST:EMAIL andreas.koeberle@uibk.ac.at ST:PHONE +43 512 507 57903 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#3 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#5 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#6 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#7 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#10 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#12 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#13 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#15 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#17 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#18 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#19 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#21 - AP_7_24h_1 Sample source:cultured cells | treatment:w/o | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#22 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#24 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#25 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#26 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#28 - AP_7_48h_1 Sample source:cultured cells | treatment:w/o | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#29 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#31 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#32 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#33 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#37 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#39 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#40 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#41 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#44 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#46 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#47 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#48 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:1h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#51 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#53 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#54 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#55 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:6h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#57 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#59 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#60 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#61 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:24h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#64 - 2 Sample source:cultured cells | treatment:DMSO | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#66 - 4 Sample source:cultured cells | treatment:TOFA | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=5 µM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#67 - 5 Sample source:cultured cells | treatment:Soraphen | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=100 nM SUBJECT_SAMPLE_FACTORS - HP_150322_AP7_AP8_#68 - 6 Sample source:cultured cells | treatment:DMSO | time [hours]:48h RAW_FILE_NAME(Local_data_file)=HP_150322_AP7_AP8; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPF_#33 - AP11_10min_PC Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPF_#35 - 3 Sample source:cultured cells | treatment:TOFA | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=5 µM SUBJECT_SAMPLE_FACTORS - 150321_WPF_#36 - 4 Sample source:cultured cells | treatment:Soraphen | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=100 nM SUBJECT_SAMPLE_FACTORS - 150321_WPF_#37 - 5 Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPF_#59 - AP11_1h_PC Sample source:cultured cells | treatment:DMSO | time [hours]:1h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPF_#61 - 3 Sample source:cultured cells | treatment:TOFA | time [hours]:1h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=5 µM SUBJECT_SAMPLE_FACTORS - 150321_WPF_#62 - 4 Sample source:cultured cells | treatment:Soraphen | time [hours]:1h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=100 nM SUBJECT_SAMPLE_FACTORS - 150321_WPF_#63 - 5 Sample source:cultured cells | treatment:DMSO | time [hours]:1h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPF_#85 - AP11_6h_PC Sample source:cultured cells | treatment:DMSO | time [hours]:6h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPF_#87 - 3 Sample source:cultured cells | treatment:TOFA | time [hours]:6h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=5 µM SUBJECT_SAMPLE_FACTORS - 150321_WPF_#88 - 4 Sample source:cultured cells | treatment:Soraphen | time [hours]:6h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=100 nM SUBJECT_SAMPLE_FACTORS - 150321_WPF_#89 - 5 Sample source:cultured cells | treatment:DMSO | time [hours]:6h RAW_FILE_NAME(Local_data_file)=150321_WPF; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#12 - AP11_24h_PC Sample source:cultured cells | treatment:DMSO | time [hours]:24h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#14 - 3 Sample source:cultured cells | treatment:TOFA | time [hours]:24h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=5 µM SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#15 - 4 Sample source:cultured cells | treatment:Soraphen | time [hours]:24h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=100 nM SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#16 - 5 Sample source:cultured cells | treatment:DMSO | time [hours]:24h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#39 - AP11_48h_PC Sample source:cultured cells | treatment:DMSO | time [hours]:48h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=- SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#41 - 3 Sample source:cultured cells | treatment:TOFA | time [hours]:48h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=5 µM SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#42 - 4 Sample source:cultured cells | treatment:Soraphen | time [hours]:48h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=100 nM SUBJECT_SAMPLE_FACTORS - 150321_WPFSET1_#43 - 5 Sample source:cultured cells | treatment:DMSO | time [hours]:48h RAW_FILE_NAME(Local_data_file)=150321_WPFSET1; concentration=- #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 Fibroblasts CO:COLLECTION_METHOD Trypsinization of cultured cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY NIH-3T3 fibroblasts were treated with soraphen A (100 nM) or TR:TREATMENT_SUMMARY 5-(tetradecyloxy)-2-furoic acid (TOFA; 5µM) for 0.17 h, 1 h, 6 h, 24 h, and 48 TR:TREATMENT_SUMMARY h. TR:TREATMENT_VEHICLE DMSO TR:CELL_MEDIA DMEM + 10% FCS TR:CELL_ENVIR_COND 37°C, 5% CO2 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Phospholipids were extracted from cell pellets by successive addition of PBS pH SP:SAMPLEPREP_SUMMARY 7.4, methanol, chloroform, and saline to a final ratio of 14:34:35:17. SP:SAMPLEPREP_SUMMARY Evaporation of the organic layer yielded a lipid film that was dissolved in SP:SAMPLEPREP_SUMMARY methanol, diluted, and subjected to UPLC-MS/MS. SP:EXTRACT_STORAGE -20℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation of phospholipids was carried out on an Acquity BEH C8 CH:CHROMATOGRAPHY_SUMMARY column (1.7 μm, 2.1×100 mm, Waters, Milford, MA) using an Acquity CH:CHROMATOGRAPHY_SUMMARY Ultraperformance LC system (Waters). CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity H-Class CH:COLUMN_NAME Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um) CH:SOLVENT_A 90% Water/10% Acetonitrile; 10 mM ammonium acetate CH:SOLVENT_B 5% Water/95% Acetonitrile; 10 mM ammonium acetate CH:FLOW_GRADIENT The gradient was ramped from 70 to 80% B over 5 min and further increased to CH:FLOW_GRADIENT 100% B within 2 min, followed by isocratic elution for another 2 min. CH:FLOW_RATE 0.75 mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Targeted MRM with pre-optimized settings and subsequent automated integration of MS:MS_COMMENTS selected signals using Analyst 1.6 (Sciex). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative units MS_METABOLITE_DATA_START Samples HP_150322_AP7_AP8_#3 - 2 HP_150322_AP7_AP8_#5 - 4 HP_150322_AP7_AP8_#6 - 5 HP_150322_AP7_AP8_#7 - 6 HP_150322_AP7_AP8_#10 - 2 HP_150322_AP7_AP8_#12 - 4 HP_150322_AP7_AP8_#13 - 5 HP_150322_AP7_AP8_#15 - 2 HP_150322_AP7_AP8_#17 - 4 HP_150322_AP7_AP8_#18 - 5 HP_150322_AP7_AP8_#19 - 6 HP_150322_AP7_AP8_#22 - 2 HP_150322_AP7_AP8_#24 - 4 HP_150322_AP7_AP8_#25 - 5 HP_150322_AP7_AP8_#26 - 6 HP_150322_AP7_AP8_#29 - 2 HP_150322_AP7_AP8_#31 - 4 HP_150322_AP7_AP8_#32 - 5 HP_150322_AP7_AP8_#33 - 6 HP_150322_AP7_AP8_#37 - 2 HP_150322_AP7_AP8_#39 - 4 HP_150322_AP7_AP8_#40 - 5 HP_150322_AP7_AP8_#41 - 6 HP_150322_AP7_AP8_#44 - 2 HP_150322_AP7_AP8_#46 - 4 HP_150322_AP7_AP8_#47 - 5 HP_150322_AP7_AP8_#48 - 6 HP_150322_AP7_AP8_#51 - 2 HP_150322_AP7_AP8_#53 - 4 HP_150322_AP7_AP8_#54 - 5 HP_150322_AP7_AP8_#55 - 6 HP_150322_AP7_AP8_#57 - 2 HP_150322_AP7_AP8_#59 - 4 HP_150322_AP7_AP8_#60 - 5 HP_150322_AP7_AP8_#61 - 6 HP_150322_AP7_AP8_#64 - 2 HP_150322_AP7_AP8_#66 - 4 HP_150322_AP7_AP8_#67 - 5 HP_150322_AP7_AP8_#68 - 6 150321_WPF_#33 - AP11_10min_PC 150321_WPF_#35 - 3 150321_WPF_#36 - 4 150321_WPF_#37 - 5 150321_WPF_#59 - AP11_1h_PC 150321_WPF_#61 - 3 150321_WPF_#62 - 4 150321_WPF_#63 - 5 150321_WPF_#85 - AP11_6h_PC 150321_WPF_#87 - 3 150321_WPF_#88 - 4 150321_WPF_#89 - 5 150321_WPFSET1_#12 - AP11_24h_PC 150321_WPFSET1_#14 - 3 150321_WPFSET1_#15 - 4 150321_WPFSET1_#16 - 5 150321_WPFSET1_#39 - AP11_48h_PC 150321_WPFSET1_#41 - 3 150321_WPFSET1_#42 - 4 150321_WPFSET1_#43 - 5 Factors Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h Sample source:cultured cells | treatment:TOFA | time [hours]:0.17h Sample source:cultured cells | treatment:Soraphen | time [hours]:0.17h Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h Sample source:cultured cells | treatment:DMSO | time [hours]:1h Sample source:cultured cells | treatment:TOFA | time [hours]:1h Sample source:cultured cells | treatment:Soraphen | time [hours]:1h Sample source:cultured cells | treatment:DMSO | time [hours]:6h Sample source:cultured cells | treatment:TOFA | time [hours]:6h Sample source:cultured cells | treatment:Soraphen | time [hours]:6h Sample source:cultured cells | treatment:DMSO | time [hours]:6h Sample source:cultured cells | treatment:DMSO | time [hours]:24h Sample source:cultured cells | treatment:TOFA | time [hours]:24h Sample source:cultured cells | treatment:Soraphen | time [hours]:24h Sample source:cultured cells | treatment:DMSO | time [hours]:24h Sample source:cultured cells | treatment:DMSO | time [hours]:48h Sample source:cultured cells | treatment:TOFA | time [hours]:48h Sample source:cultured cells | treatment:Soraphen | time [hours]:48h Sample source:cultured cells | treatment:DMSO | time [hours]:48h Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h Sample source:cultured cells | treatment:TOFA | time [hours]:0.17h Sample source:cultured cells | treatment:Soraphen | time [hours]:0.17h Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h Sample source:cultured cells | treatment:DMSO | time [hours]:1h Sample source:cultured cells | treatment:TOFA | time [hours]:1h Sample source:cultured cells | treatment:Soraphen | time [hours]:1h Sample source:cultured cells | treatment:DMSO | time [hours]:1h Sample source:cultured cells | treatment:DMSO | time [hours]:6h Sample source:cultured cells | treatment:TOFA | time [hours]:6h Sample source:cultured cells | treatment:Soraphen | time [hours]:6h Sample source:cultured cells | treatment:DMSO | time [hours]:6h Sample source:cultured cells | treatment:DMSO | time [hours]:24h Sample source:cultured cells | treatment:TOFA | time [hours]:24h Sample source:cultured cells | treatment:Soraphen | time [hours]:24h Sample source:cultured cells | treatment:DMSO | time [hours]:24h Sample source:cultured cells | treatment:DMSO | time [hours]:48h Sample source:cultured cells | treatment:TOFA | time [hours]:48h Sample source:cultured cells | treatment:Soraphen | time [hours]:48h Sample source:cultured cells | treatment:DMSO | time [hours]:48h Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h Sample source:cultured cells | treatment:TOFA | time [hours]:0.17h Sample source:cultured cells | treatment:Soraphen | time [hours]:0.17h Sample source:cultured cells | treatment:DMSO | time [hours]:0.17h Sample source:cultured cells | treatment:DMSO | time [hours]:1h Sample source:cultured cells | treatment:TOFA | time [hours]:1h Sample source:cultured cells | treatment:Soraphen | time [hours]:1h Sample source:cultured cells | treatment:DMSO | time [hours]:1h Sample source:cultured cells | treatment:DMSO | time [hours]:6h Sample source:cultured cells | treatment:TOFA | time [hours]:6h Sample source:cultured cells | treatment:Soraphen | time [hours]:6h Sample source:cultured cells | treatment:DMSO | time [hours]:6h Sample source:cultured cells | treatment:DMSO | time [hours]:24h Sample source:cultured cells | treatment:TOFA | time [hours]:24h Sample source:cultured cells | treatment:Soraphen | time [hours]:24h Sample source:cultured cells | treatment:DMSO | time [hours]:24h Sample source:cultured cells | treatment:DMSO | time [hours]:48h Sample source:cultured cells | treatment:TOFA | time [hours]:48h Sample source:cultured cells | treatment:Soraphen | time [hours]:48h Sample source:cultured cells | treatment:DMSO | time [hours]:48h PC(16:0_16:0) 1.42761 1.63274 1.21353 1.24568 2.34048 1.76184 1.52162 1.25490 1.26317 1.27678 1.74530 2.57275 1.11931 0.89704 2.88889 1.41996 0.65045 0.29203 2.29552 0.89222 1.15157 1.02787 1.42358 0.37444 1.53307 1.24419 0.99751 0.84645 1.09213 0.49110 0.59408 2.82763 0.82021 0.84561 1.99665 1.57286 0.50806 0.31483 1.33099 0.41558 0.22066 0.24082 0.29623 0.39051 0.42604 0.24719 0.35209 0.30694 0.30862 0.13604 0.32552 0.46850 0.16502 0.13866 0.33614 0.26650 0.12844 0.07165 0.30914 PC(16:0_16:1) 0.96931 1.18344 0.96591 1.02331 1.59153 1.35016 1.28184 0.87098 0.87391 1.14333 1.27716 1.47371 0.58516 0.74013 1.79012 0.92536 0.31323 0.26267 1.45143 0.68313 0.86011 0.85687 1.08074 0.29584 1.20219 1.06615 0.76564 0.67077 0.82145 0.32539 0.55953 1.54218 0.44716 0.75652 1.13698 1.05020 0.24655 0.26236 0.87254 0.23688 0.12478 0.16567 0.19913 0.23839 0.29268 0.16834 0.22429 0.15681 0.16756 0.09273 0.21343 0.21238 0.07987 0.09904 0.20686 0.19481 0.06090 0.06924 0.22279 PC(16:0_16:1) iso 0.55092 0.67310 0.49525 0.56004 0.90909 0.80970 0.66333 0.44978 0.54692 0.69118 0.71130 0.66067 0.49023 0.41242 0.79753 0.70200 0.30306 0.13704 0.62895 0.40736 0.50863 0.51298 0.71065 0.18579 0.79687 0.67655 0.49041 0.40459 0.48817 0.25459 0.32163 0.76502 0.42616 0.48196 0.56572 0.63989 0.28111 0.13232 0.56197 0.11810 0.06567 0.08338 0.09984 0.12386 0.14914 0.08783 0.11680 0.08620 0.10002 0.05463 0.11238 0.08995 0.06352 0.05155 0.10380 0.11296 0.06404 0.03043 0.15030 PC(16:0_18:1) 0.66909 0.78840 0.62809 0.56828 0.99778 0.80970 0.71263 0.51563 0.47880 0.66727 0.84992 0.77682 0.32304 0.49990 0.87654 0.31696 0.14753 0.13867 0.67836 0.47765 0.62579 0.58518 0.68568 0.23867 0.74448 0.71844 0.54379 0.41701 0.54450 0.25308 0.35884 0.97319 0.25199 0.45713 0.66648 0.39224 0.13823 0.16198 0.33521 0.62684 0.33821 0.39223 0.44983 0.60034 0.68206 0.41254 0.57554 0.51210 0.47875 0.24814 0.50668 0.54970 0.22309 0.28361 0.38416 0.29288 0.14679 0.12656 0.35497 PC(16:1_18:1) 0.92939 1.25296 0.90031 0.93889 0.00003 0.00002 0.00003 0.80513 0.80578 1.10748 1.18398 1.09404 0.60641 1.18727 1.25926 0.94132 0.38591 0.47748 1.04997 0.62546 0.82296 0.80177 1.01035 0.92325 1.75642 1.05986 0.68057 0.57140 0.72913 0.31786 0.53029 1.22646 0.52869 1.24724 0.88093 0.86458 0.34197 0.42946 0.73451 0.18459 0.09851 0.12891 0.14098 0.17690 0.19648 0.11578 0.16589 0.14059 0.15089 0.08380 0.16955 0.14867 0.09077 0.13438 0.14283 0.16707 0.07357 0.09492 0.19721 PC(18:0_18:1) 0.77609 1.01220 0.76256 0.86477 1.51022 1.22724 1.12273 0.72561 0.93230 0.94813 1.19762 1.12152 0.86569 0.66653 1.49383 1.13277 0.61920 0.28986 1.16320 0.52452 0.63722 0.70868 0.89910 0.25582 0.95128 0.91743 0.67390 0.58027 0.75416 0.32389 0.39207 1.07207 0.78192 0.69518 0.91421 1.04531 0.56738 0.27947 0.89226 0.11325 0.05812 0.07296 0.08585 0.10520 0.11911 0.06487 0.09056 0.07602 0.09532 0.04092 0.09341 0.09911 0.09060 0.06393 0.11155 0.13799 0.09873 0.04383 0.17802 PC(18:1/18:1) 1.93223 2.20412 1.82030 1.89219 2.95639 2.45838 2.16478 1.56552 1.78090 2.11138 2.09299 1.98576 1.51602 1.74965 2.30864 1.62737 1.01019 0.83749 1.82200 1.33923 1.65449 1.58265 2.10698 0.62455 2.26652 2.01290 1.38283 1.19248 1.62724 0.73364 1.01406 2.61946 1.42054 2.30755 1.85800 1.63636 0.92844 0.92395 1.51339 0.42251 0.20325 0.23698 0.27977 0.37594 0.42553 0.24985 0.31443 0.31012 0.33384 0.15520 0.32552 0.34565 0.24523 0.26335 0.26719 0.28747 0.18610 0.17030 0.33685 PC(18:1_18:2) 0.35451 0.41539 0.34602 0.37061 0.54693 0.47997 0.47733 0.26962 0.33672 0.46809 0.44769 0.31098 0.34004 0.32632 0.35062 0.16805 0.21585 0.15227 0.26455 0.22891 0.28518 0.30399 0.38371 0.11519 0.41636 0.35818 0.23687 0.20762 0.28946 0.13031 0.20866 0.38338 0.30140 0.38703 0.25698 0.18904 0.17743 0.14658 0.14296 0.06476 0.03034 0.04389 0.04937 0.06003 0.07533 0.03892 0.04867 0.04548 0.05942 0.02808 0.05350 0.04164 0.05075 0.04817 0.03288 0.02956 0.03740 0.03415 0.03411 PC(16:0_20:4) 0.15250 0.19668 0.15268 0.21413 0.30796 0.27510 0.22387 0.13170 0.21604 0.23703 0.26816 0.15986 0.23661 0.14164 0.15802 0.04834 0.09375 0.04361 0.13382 0.15429 0.20603 0.21089 0.27245 0.09018 0.29779 0.27230 0.19516 0.21294 0.18619 0.11389 0.14088 0.20470 0.17417 0.15189 0.15714 0.07327 0.09491 0.05612 0.06754 0.04156 0.02502 0.02907 0.02990 0.04692 0.06464 0.03360 0.04824 0.03467 0.04275 0.01617 0.03057 0.03311 0.03508 0.03196 0.02512 0.01400 0.02473 0.01331 0.01929 PC(18:0_20:4) 0.08479 0.12123 0.09839 0.10665 0.18305 0.14263 0.14275 0.07293 0.10569 0.10756 0.13840 0.07493 0.12964 0.08498 0.09062 0.01824 0.04768 0.02888 0.06238 0.08273 0.11430 0.10507 0.14667 0.04016 0.15496 0.16882 0.09892 0.09973 0.08058 0.04565 0.07137 0.08292 0.07449 0.07711 0.05047 0.01983 0.04333 0.03171 0.01863 0.01752 0.00759 0.01053 0.01097 0.01629 0.02082 0.00978 0.01693 0.01708 0.01667 0.00599 0.01308 0.01118 0.01228 0.01342 0.00630 0.00331 0.00926 0.00637 0.00430 PC(18:1_20:4) 0.21398 0.23567 0.19679 0.23060 0.35723 0.29462 0.25995 0.16773 0.26859 0.23902 0.31815 0.16111 0.25503 0.28467 0.21481 0.03654 0.09593 0.11583 0.12250 0.18926 0.28203 0.23749 0.30651 0.09333 0.38051 0.36655 0.23186 0.23424 0.22844 0.12654 0.17145 0.27062 0.22852 0.40017 0.14328 0.05178 0.09645 0.14772 0.04866 0.04814 0.02338 0.03291 0.03401 0.05391 0.06770 0.03427 0.04613 0.04485 0.05258 0.02460 0.04218 0.03498 0.03406 0.05897 0.02081 0.01055 0.02062 0.03285 0.01119 PC(16:0_22:5) 0.03545 0.04713 0.03788 0.04942 0.09929 0.06575 0.06095 0.04535 0.04807 0.04422 0.05386 0.04683 0.07835 0.03985 0.05630 0.01691 0.03111 0.01441 0.03788 0.02974 0.06429 0.04807 0.05880 0.01515 0.06618 0.07855 0.04587 0.04490 0.04099 0.02440 0.03362 0.06332 0.04904 0.03461 0.04160 0.02379 0.02852 0.01511 0.01863 0.00790 0.00729 0.00839 0.00795 0.01119 0.01369 0.00895 0.01003 0.01320 0.00975 0.00407 0.00911 0.01027 0.00894 0.00702 0.00634 0.00335 0.00674 0.00430 0.00510 PC(16:0_22:6) 0.03641 0.03069 0.03477 0.02965 0.06775 0.04819 0.03003 0.02361 0.03893 0.04422 0.03977 0.04096 0.02649 0.02125 0.03469 0.00878 0.02086 0.00712 0.02512 0.02199 0.03029 0.03078 0.02906 0.00715 0.04467 0.04064 0.03586 0.01718 0.02097 0.01082 0.01781 0.03574 0.02965 0.02600 0.03346 0.01588 0.01305 0.00998 0.01168 0.00637 0.00614 0.00540 0.00677 0.00784 0.00891 0.00622 0.00686 0.00725 0.00881 0.00259 0.00750 0.00858 0.00548 0.00365 0.00661 0.00088 0.00114 0.00063 0.00123 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Standardized name Formula Exact mass Super class Main class PC(16:0_16:0) PC 16:0/16:0 733.5622 C40H80NO8P Glycerophospholipids Glycerophosphocholines PC(16:0_16:1) PC 16:0_16:1 731.5465 C40H78NO8P Glycerophospholipids Glycerophosphocholines PC(16:0_16:1) iso PC 16:0_16:1 731.5465 C40H78NO8P Glycerophospholipids Glycerophosphocholines PC(16:0_18:1) PC 16:0_18:1 759.5778 C42H82NO8P Glycerophospholipids Glycerophosphocholines PC(16:1_18:1) PC 16:1_18:1 757.5622 C42H80NO8P Glycerophospholipids Glycerophosphocholines PC(18:0_18:1) PC 18:0_18:1 787.6091 C44H86NO8P Glycerophospholipids Glycerophosphocholines PC(18:1/18:1) PC 18:1/18:1 785.5935 C44H84NO8P Glycerophospholipids Glycerophosphocholines PC(18:1_18:2) PC 18:1_18:2 783.5778 C44H82NO8P Glycerophospholipids Glycerophosphocholines PC(16:0_20:4) PC 16:0_20:4 781.5622 C44H80NO8P Glycerophospholipids Glycerophosphocholines PC(18:0_20:4) PC 18:0_20:4 809.5935 C46H84NO8P Glycerophospholipids Glycerophosphocholines PC(18:1_20:4) PC 18:1_20:4 807.5778 C46H82NO8P Glycerophospholipids Glycerophosphocholines PC(16:0_22:5) PC 16:0_22:5 807.5778 C46H82NO8P Glycerophospholipids Glycerophosphocholines PC(16:0_22:6) PC 16:0_22:6 805.5622 C46H80NO8P Glycerophospholipids Glycerophosphocholines METABOLITES_END #END