#METABOLOMICS WORKBENCH jeffreymolendijk_20200326_144715 DATATRACK_ID:1956 STUDY_ID:ST001336 ANALYSIS_ID:AN002227 PROJECT_ID:000000 VERSION 1 CREATED_ON March 31, 2020, 3:18 pm #PROJECT PR:PROJECT_TITLE Effect of high-fat diet and bile acid treatment on serum and tissue lipidomes in PR:PROJECT_TITLE mice PR:PROJECT_SUMMARY We analyzed mouse serum and esophageal tissue samples from a mouse dietary PR:PROJECT_SUMMARY intervention experiment. Briefly, C57BL/6 mice (n=44) were divided into 4 groups PR:PROJECT_SUMMARY (n=11 per group) and fed High-fat diet (HFD), 0.2% deoxycholic acid (DCA) in PR:PROJECT_SUMMARY drinking water, both, or left as control for 9 months. The two treatments were PR:PROJECT_SUMMARY selected to demonstrate the ability of lipidomics to detect gross changes PR:PROJECT_SUMMARY induced by HFD in the serum and tissue lipidomes, as well as specific/minor PR:PROJECT_SUMMARY changes induced by the secondary bile acid (DCA) through regulation of liver PR:PROJECT_SUMMARY lipid metabolism. The serum and tissue samples were analyzed using targeted and PR:PROJECT_SUMMARY untargeted lipidomics methods. The targeted serum lipidomics data has previously PR:PROJECT_SUMMARY been uploaded as part of study ST001323. PR:INSTITUTE QIMR Berghofer Medical Research Institute PR:DEPARTMENT Precision & Systems Biomedicine PR:LAST_NAME Molendijk PR:FIRST_NAME Jeffrey PR:ADDRESS 300 Herston Road, Herston, QLD, 4006, Australia PR:EMAIL jeffrey.molendijk@qimrberghofer.edu.au PR:PHONE +61738453992 #STUDY ST:STUDY_TITLE Effect of high-fat diet and bile acid treatment on serum and tissue lipidomes in ST:STUDY_TITLE mice ST:STUDY_SUMMARY We analyzed mouse serum and esophageal tissue samples from a mouse dietary ST:STUDY_SUMMARY intervention experiment. Briefly, C57BL/6 mice (n=44) were divided into 4 groups ST:STUDY_SUMMARY (n=11 per group) and fed High-fat diet (HFD), 0.2% deoxycholic acid (DCA) in ST:STUDY_SUMMARY drinking water, both, or left as control for 9 months. For quality control,TQC ST:STUDY_SUMMARY samples and blanks were also included in the analysis. The two treatments were ST:STUDY_SUMMARY selected to demonstrate the ability of lipidomics to detect gross changes ST:STUDY_SUMMARY induced by HFD in the serum and tissue lipidomes, as well as specific/minor ST:STUDY_SUMMARY changes induced by the secondary bile acid (DCA) through regulation of liver ST:STUDY_SUMMARY lipid metabolism. The serum and tissue samples were analyzed using targeted and ST:STUDY_SUMMARY untargeted lipidomics methods. The targeted serum lipidomics data has previously ST:STUDY_SUMMARY been uploaded as part of study ST001323. ST:INSTITUTE QIMR Berghofer Medical Research Institute ST:LAST_NAME Molendijk ST:FIRST_NAME Jeffrey ST:ADDRESS 300 Herston Road, Herston, QLD, 4006, Australia ST:EMAIL jeffrey.molendijk@qimrberghofer.edu.au ST:PHONE +61738453992 #SUBJECT SU:SUBJECT_TYPE Mammal 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 - F1_1A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1A1.d SUBJECT_SAMPLE_FACTORS - F1_2A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2A1.d SUBJECT_SAMPLE_FACTORS - F1_3A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3A1.d SUBJECT_SAMPLE_FACTORS - F1_4A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4A1.d SUBJECT_SAMPLE_FACTORS - F1_5A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5A1.d SUBJECT_SAMPLE_FACTORS - F1_6A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6A1.d SUBJECT_SAMPLE_FACTORS - F1_7A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7A1.d SUBJECT_SAMPLE_FACTORS - F1_8A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8A1.d SUBJECT_SAMPLE_FACTORS - F1_9A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9A1.d SUBJECT_SAMPLE_FACTORS - F1_10A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10A1.d SUBJECT_SAMPLE_FACTORS - F1_11A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11A1.d SUBJECT_SAMPLE_FACTORS - F1_1B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1B1.d SUBJECT_SAMPLE_FACTORS - F1_2B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2B1.d SUBJECT_SAMPLE_FACTORS - F1_3B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3B1.d SUBJECT_SAMPLE_FACTORS - F1_4B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4B1.d SUBJECT_SAMPLE_FACTORS - F1_5B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5B1.d SUBJECT_SAMPLE_FACTORS - F1_6B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6B1.d SUBJECT_SAMPLE_FACTORS - F1_7B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7B1.d SUBJECT_SAMPLE_FACTORS - F1_8B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8B1.d SUBJECT_SAMPLE_FACTORS - F1_9B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9B1.d SUBJECT_SAMPLE_FACTORS - F1_10B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10B1.d SUBJECT_SAMPLE_FACTORS - F1_11B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11B1.d SUBJECT_SAMPLE_FACTORS - F1_1C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1C1.d SUBJECT_SAMPLE_FACTORS - F1_2C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2C1.d SUBJECT_SAMPLE_FACTORS - F1_3C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3C1.d SUBJECT_SAMPLE_FACTORS - F1_4C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4C1.d SUBJECT_SAMPLE_FACTORS - F1_5C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5C1.d SUBJECT_SAMPLE_FACTORS - F1_6C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6C1.d SUBJECT_SAMPLE_FACTORS - F1_7C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7C1.d SUBJECT_SAMPLE_FACTORS - F1_8C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8C1.d SUBJECT_SAMPLE_FACTORS - F1_9C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9C1.d SUBJECT_SAMPLE_FACTORS - F1_10C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10C1.d SUBJECT_SAMPLE_FACTORS - F1_11C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11C1.d SUBJECT_SAMPLE_FACTORS - F1_1D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1D1.d SUBJECT_SAMPLE_FACTORS - F1_2D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2D1.d SUBJECT_SAMPLE_FACTORS - F1_3D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3D1.d SUBJECT_SAMPLE_FACTORS - F1_4D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4D1.d SUBJECT_SAMPLE_FACTORS - F1_5D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5D1.d SUBJECT_SAMPLE_FACTORS - F1_6D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6D1.d SUBJECT_SAMPLE_FACTORS - F1_7D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7D1.d SUBJECT_SAMPLE_FACTORS - F1_8D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8D1.d SUBJECT_SAMPLE_FACTORS - F1_9D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9D1.d SUBJECT_SAMPLE_FACTORS - F1_10D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10D1.d SUBJECT_SAMPLE_FACTORS - F1_11D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11D1.d SUBJECT_SAMPLE_FACTORS - F2_1A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1A1.d SUBJECT_SAMPLE_FACTORS - F2_2A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2A1.d SUBJECT_SAMPLE_FACTORS - F2_3A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3A1.d SUBJECT_SAMPLE_FACTORS - F2_4A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4A1.d SUBJECT_SAMPLE_FACTORS - F2_5A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5A1.d SUBJECT_SAMPLE_FACTORS - F2_6A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6A1.d SUBJECT_SAMPLE_FACTORS - F2_7A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7A1.d SUBJECT_SAMPLE_FACTORS - F2_8A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8A1.d SUBJECT_SAMPLE_FACTORS - F2_9A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9A1.d SUBJECT_SAMPLE_FACTORS - F2_10A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10A1.d SUBJECT_SAMPLE_FACTORS - F2_11A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11A1.d SUBJECT_SAMPLE_FACTORS - F2_1B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1B1.d SUBJECT_SAMPLE_FACTORS - F2_2B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2B1.d SUBJECT_SAMPLE_FACTORS - F2_3B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3B1.d SUBJECT_SAMPLE_FACTORS - F2_4B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4B1.d SUBJECT_SAMPLE_FACTORS - F2_5B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5B1.d SUBJECT_SAMPLE_FACTORS - F2_6B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6B1.d SUBJECT_SAMPLE_FACTORS - F2_7B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7B1.d SUBJECT_SAMPLE_FACTORS - F2_8B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8B1.d SUBJECT_SAMPLE_FACTORS - F2_9B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9B1.d SUBJECT_SAMPLE_FACTORS - F2_10B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10B1.d SUBJECT_SAMPLE_FACTORS - F2_11B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11B1.d SUBJECT_SAMPLE_FACTORS - F2_1C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1C1.d SUBJECT_SAMPLE_FACTORS - F2_2C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2C1.d SUBJECT_SAMPLE_FACTORS - F2_3C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3C1.d SUBJECT_SAMPLE_FACTORS - F2_4C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4C1.d SUBJECT_SAMPLE_FACTORS - F2_5C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5C1.d SUBJECT_SAMPLE_FACTORS - F2_6C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6C1.d SUBJECT_SAMPLE_FACTORS - F2_7C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7C1.d SUBJECT_SAMPLE_FACTORS - F2_8C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8C1.d SUBJECT_SAMPLE_FACTORS - F2_9C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9C1.d SUBJECT_SAMPLE_FACTORS - F2_10C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10C1.d SUBJECT_SAMPLE_FACTORS - F2_11C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11C1.d SUBJECT_SAMPLE_FACTORS - F2_1D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1D1.d SUBJECT_SAMPLE_FACTORS - F2_2D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2D1.d SUBJECT_SAMPLE_FACTORS - F2_3D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3D1.d SUBJECT_SAMPLE_FACTORS - F2_4D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4D1.d SUBJECT_SAMPLE_FACTORS - F2_5D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5D1.d SUBJECT_SAMPLE_FACTORS - F2_6D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6D1.d SUBJECT_SAMPLE_FACTORS - F2_7D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7D1.d SUBJECT_SAMPLE_FACTORS - F2_8D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8D1.d SUBJECT_SAMPLE_FACTORS - F2_9D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9D1.d SUBJECT_SAMPLE_FACTORS - F2_10D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10D1.d SUBJECT_SAMPLE_FACTORS - F2_11D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11D1.d SUBJECT_SAMPLE_FACTORS - A1_1A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1A1.d SUBJECT_SAMPLE_FACTORS - A1_2A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2A1.d SUBJECT_SAMPLE_FACTORS - A1_3A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3A1.d SUBJECT_SAMPLE_FACTORS - A1_4A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4A1.d SUBJECT_SAMPLE_FACTORS - A1_5A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5A1.d SUBJECT_SAMPLE_FACTORS - A1_6A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6A1.d SUBJECT_SAMPLE_FACTORS - A1_7A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7A1.d SUBJECT_SAMPLE_FACTORS - A1_8A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8A1.d SUBJECT_SAMPLE_FACTORS - A1_9A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9A1.d SUBJECT_SAMPLE_FACTORS - A1_10A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10A1.d SUBJECT_SAMPLE_FACTORS - A1_11A1 Diet:Normal | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11A1.d SUBJECT_SAMPLE_FACTORS - A1_1B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1B1.d SUBJECT_SAMPLE_FACTORS - A1_2B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2B1.d SUBJECT_SAMPLE_FACTORS - A1_3B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3B1.d SUBJECT_SAMPLE_FACTORS - A1_4B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4B1.d SUBJECT_SAMPLE_FACTORS - A1_5B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5B1.d SUBJECT_SAMPLE_FACTORS - A1_6B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6B1.d SUBJECT_SAMPLE_FACTORS - A1_7B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7B1.d SUBJECT_SAMPLE_FACTORS - A1_8B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8B1.d SUBJECT_SAMPLE_FACTORS - A1_9B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9B1.d SUBJECT_SAMPLE_FACTORS - A1_10B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10B1.d SUBJECT_SAMPLE_FACTORS - A1_11B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11B1.d SUBJECT_SAMPLE_FACTORS - A1_1C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1C1.d SUBJECT_SAMPLE_FACTORS - A1_2C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2C1.d SUBJECT_SAMPLE_FACTORS - A1_3C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3C1.d SUBJECT_SAMPLE_FACTORS - A1_4C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4C1.d SUBJECT_SAMPLE_FACTORS - A1_5C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5C1.d SUBJECT_SAMPLE_FACTORS - A1_6C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6C1.d SUBJECT_SAMPLE_FACTORS - A1_7C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7C1.d SUBJECT_SAMPLE_FACTORS - A1_8C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8C1.d SUBJECT_SAMPLE_FACTORS - A1_9C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9C1.d SUBJECT_SAMPLE_FACTORS - A1_10C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10C1.d SUBJECT_SAMPLE_FACTORS - A1_11C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11C1.d SUBJECT_SAMPLE_FACTORS - A1_1D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1D1.d SUBJECT_SAMPLE_FACTORS - A1_2D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2D1.d SUBJECT_SAMPLE_FACTORS - A1_3D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3D1.d SUBJECT_SAMPLE_FACTORS - A1_4D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4D1.d SUBJECT_SAMPLE_FACTORS - A1_5D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5D1.d SUBJECT_SAMPLE_FACTORS - A1_6D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6D1.d SUBJECT_SAMPLE_FACTORS - A1_7D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7D1.d SUBJECT_SAMPLE_FACTORS - A1_8D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8D1.d SUBJECT_SAMPLE_FACTORS - A1_9D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9D1.d SUBJECT_SAMPLE_FACTORS - A1_10D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10D1.d SUBJECT_SAMPLE_FACTORS - A1_11D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11D1.d SUBJECT_SAMPLE_FACTORS - TU_1A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1A1.d SUBJECT_SAMPLE_FACTORS - TU_2A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2A1.d SUBJECT_SAMPLE_FACTORS - TU_3A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3A1.d SUBJECT_SAMPLE_FACTORS - TU_4A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4A1.d SUBJECT_SAMPLE_FACTORS - TU_5A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5A1.d SUBJECT_SAMPLE_FACTORS - TU_6A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6A1.d SUBJECT_SAMPLE_FACTORS - TU_7A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7A1.d SUBJECT_SAMPLE_FACTORS - TU_8A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8A1.d SUBJECT_SAMPLE_FACTORS - TU_9A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9A1.d SUBJECT_SAMPLE_FACTORS - TU_10A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10A1.d SUBJECT_SAMPLE_FACTORS - TU_11A1 Diet:Normal | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11A1.d SUBJECT_SAMPLE_FACTORS - TU_1B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1B1.d SUBJECT_SAMPLE_FACTORS - TU_2B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2B1.d SUBJECT_SAMPLE_FACTORS - TU_3B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3B1.d SUBJECT_SAMPLE_FACTORS - TU_4B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4B1.d SUBJECT_SAMPLE_FACTORS - TU_5B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5B1.d SUBJECT_SAMPLE_FACTORS - TU_6B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6B1.d SUBJECT_SAMPLE_FACTORS - TU_7B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7B1.d SUBJECT_SAMPLE_FACTORS - TU_8B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8B1.d SUBJECT_SAMPLE_FACTORS - TU_9B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9B1.d SUBJECT_SAMPLE_FACTORS - TU_10B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10B1.d SUBJECT_SAMPLE_FACTORS - TU_11B1 Diet:Normal | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11B1.d SUBJECT_SAMPLE_FACTORS - TU_1C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1C1.d SUBJECT_SAMPLE_FACTORS - TU_2C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2C1.d SUBJECT_SAMPLE_FACTORS - TU_3C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3C1.d SUBJECT_SAMPLE_FACTORS - TU_4C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4C1.d SUBJECT_SAMPLE_FACTORS - TU_5C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5C1.d SUBJECT_SAMPLE_FACTORS - TU_6C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6C1.d SUBJECT_SAMPLE_FACTORS - TU_7C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7C1.d SUBJECT_SAMPLE_FACTORS - TU_8C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8C1.d SUBJECT_SAMPLE_FACTORS - TU_9C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9C1.d SUBJECT_SAMPLE_FACTORS - TU_10C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10C1.d SUBJECT_SAMPLE_FACTORS - TU_11C1 Diet:HighFat | BileAcid:water Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11C1.d SUBJECT_SAMPLE_FACTORS - TU_1D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1D1.d SUBJECT_SAMPLE_FACTORS - TU_2D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2D1.d SUBJECT_SAMPLE_FACTORS - TU_3D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3D1.d SUBJECT_SAMPLE_FACTORS - TU_4D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4D1.d SUBJECT_SAMPLE_FACTORS - TU_5D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5D1.d SUBJECT_SAMPLE_FACTORS - TU_6D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6D1.d SUBJECT_SAMPLE_FACTORS - TU_7D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7D1.d SUBJECT_SAMPLE_FACTORS - TU_8D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8D1.d SUBJECT_SAMPLE_FACTORS - TU_9D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9D1.d SUBJECT_SAMPLE_FACTORS - TU_10D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10D1.d SUBJECT_SAMPLE_FACTORS - TU_11D1 Diet:HighFat | BileAcid:DCA Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11D1.d SUBJECT_SAMPLE_FACTORS - SU_1A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1A.d SUBJECT_SAMPLE_FACTORS - SU_2A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2A.d SUBJECT_SAMPLE_FACTORS - SU_3A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3A.d SUBJECT_SAMPLE_FACTORS - SU_4A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4A.d SUBJECT_SAMPLE_FACTORS - SU_5A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5A.d SUBJECT_SAMPLE_FACTORS - SU_6A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6A.d SUBJECT_SAMPLE_FACTORS - SU_7A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7A.d SUBJECT_SAMPLE_FACTORS - SU_8A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8A.d SUBJECT_SAMPLE_FACTORS - SU_9A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9A.d SUBJECT_SAMPLE_FACTORS - SU_10A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10A.d SUBJECT_SAMPLE_FACTORS - SU_11A Diet:Normal | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11A.d SUBJECT_SAMPLE_FACTORS - SU_1B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1B.d SUBJECT_SAMPLE_FACTORS - SU_2B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2B.d SUBJECT_SAMPLE_FACTORS - SU_3B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3B.d SUBJECT_SAMPLE_FACTORS - SU_4B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4B.d SUBJECT_SAMPLE_FACTORS - SU_5B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5B.d SUBJECT_SAMPLE_FACTORS - SU_6B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6B.d SUBJECT_SAMPLE_FACTORS - SU_7B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7B.d SUBJECT_SAMPLE_FACTORS - SU_8B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8B.d SUBJECT_SAMPLE_FACTORS - SU_9B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9B.d SUBJECT_SAMPLE_FACTORS - SU_10B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10B.d SUBJECT_SAMPLE_FACTORS - SU_11B Diet:Normal | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11B.d SUBJECT_SAMPLE_FACTORS - SU_1C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1C.d SUBJECT_SAMPLE_FACTORS - SU_2C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2C.d SUBJECT_SAMPLE_FACTORS - SU_3C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3C.d SUBJECT_SAMPLE_FACTORS - SU_4C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4C.d SUBJECT_SAMPLE_FACTORS - SU_5C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5C.d SUBJECT_SAMPLE_FACTORS - SU_6C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6C.d SUBJECT_SAMPLE_FACTORS - SU_7C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7C.d SUBJECT_SAMPLE_FACTORS - SU_8C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8C.d SUBJECT_SAMPLE_FACTORS - SU_9C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9C.d SUBJECT_SAMPLE_FACTORS - SU_10C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10C.d SUBJECT_SAMPLE_FACTORS - SU_11C Diet:HighFat | BileAcid:water Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11C.d SUBJECT_SAMPLE_FACTORS - SU_1D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1D.d SUBJECT_SAMPLE_FACTORS - SU_2D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2D.d SUBJECT_SAMPLE_FACTORS - SU_3D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3D.d SUBJECT_SAMPLE_FACTORS - SU_4D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4D.d SUBJECT_SAMPLE_FACTORS - SU_5D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5D.d SUBJECT_SAMPLE_FACTORS - SU_6D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6D.d SUBJECT_SAMPLE_FACTORS - SU_7D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7D.d SUBJECT_SAMPLE_FACTORS - SU_8D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8D.d SUBJECT_SAMPLE_FACTORS - SU_9D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9D.d SUBJECT_SAMPLE_FACTORS - SU_10D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10D.d SUBJECT_SAMPLE_FACTORS - SU_11D Diet:HighFat | BileAcid:DCA Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11D.d #COLLECTION CO:COLLECTION_SUMMARY Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing 50 CO:COLLECTION_SUMMARY µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three rounds CO:COLLECTION_SUMMARY of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute, CO:COLLECTION_SUMMARY thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a CO:COLLECTION_SUMMARY Grant XUB18 bath sonicator. Tissue wet weight was determined using a CO:COLLECTION_SUMMARY Mettler-Toledo XS105 balance (Mettler-Toledo, Melbourne, Australia). Biopsies CO:COLLECTION_SUMMARY were transferred to Eppendorf tubes containing 500 µL ice-cold methanol, 50 CO:COLLECTION_SUMMARY µg/ml BHT and one steel bead and homogenized in a TissueLyzer LT (Qiagen, CO:COLLECTION_SUMMARY Melbourne, Australia) for six minutes at 50 Hz. Homogenate was transferred to CO:COLLECTION_SUMMARY new tubes and the original tube was washed with 400 µL methanol and CO:COLLECTION_SUMMARY transferred. Samples were dried down under nitrogen flow and resuspended in 20 CO:COLLECTION_SUMMARY µL water and 200 µL methanol (50 µg/ml BHT). Samples were homogenized by CO:COLLECTION_SUMMARY three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for CO:COLLECTION_SUMMARY one minute, thawing for two minutes and sonicating for 10 minutes at 15°C, CO:COLLECTION_SUMMARY power 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard CO:COLLECTION_SUMMARY (10 µL) and Cer/Sph mixture II (10 µL) internal standards mixes from Avanti CO:COLLECTION_SUMMARY Polar Lipids were then added to each sample. After overnight incubation at CO:COLLECTION_SUMMARY -30°C, 750 µL MTBE was added and each tube was vortex mixed for 10 seconds and CO:COLLECTION_SUMMARY shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 µL) was then CO:COLLECTION_SUMMARY added, and the tube was vortex mixed for 30 seconds to form a biphasic CO:COLLECTION_SUMMARY separation. After centrifuging for 15 minutes at 15,000 × g, 700 µL of the CO:COLLECTION_SUMMARY clear upper phase containing lipids in MTBE was transferred to another tube and CO:COLLECTION_SUMMARY dried down using a gentle stream of nitrogen. After drying down of lipid CO:COLLECTION_SUMMARY extracts were resuspended in 50 µL methanol (containing 50 µg/mL BHT)/toluene CO:COLLECTION_SUMMARY (90/10%, v/v). CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed High-fat TR:TREATMENT_SUMMARY diet (HFD), 1% deoxycholic acid (DCA) in drinking water, both, or left as TR:TREATMENT_SUMMARY control for 9 months. The two treatments were selected to demonstrate the TR:TREATMENT_SUMMARY ability of lipidomics to detect gross changes induced by HFD in the serum TR:TREATMENT_SUMMARY lipidome, as well as specific/minor changes induced by the secondary bile acid TR:TREATMENT_SUMMARY (DCA) through regulation of liver lipid metabolism. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing 50 SP:SAMPLEPREP_SUMMARY µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three rounds SP:SAMPLEPREP_SUMMARY of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute, SP:SAMPLEPREP_SUMMARY thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a SP:SAMPLEPREP_SUMMARY Grant XUB18 bath sonicator. Tissue wet weight was determined using a SP:SAMPLEPREP_SUMMARY Mettler-Toledo XS105 balance (Mettler-Toledo, Melbourne, Australia). Biopsies SP:SAMPLEPREP_SUMMARY were transferred to Eppendorf tubes containing 500 µL ice-cold methanol, 50 SP:SAMPLEPREP_SUMMARY µg/ml BHT and one steel bead and homogenized in a TissueLyzer LT (Qiagen, SP:SAMPLEPREP_SUMMARY Melbourne, Australia) for six minutes at 50 Hz. Homogenate was transferred to SP:SAMPLEPREP_SUMMARY new tubes and the original tube was washed with 400 µL methanol and SP:SAMPLEPREP_SUMMARY transferred. Samples were dried down under nitrogen flow and resuspended in 20 SP:SAMPLEPREP_SUMMARY µL water and 200 µL methanol (50 µg/ml BHT). Samples were homogenized by SP:SAMPLEPREP_SUMMARY three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for SP:SAMPLEPREP_SUMMARY one minute, thawing for two minutes and sonicating for 10 minutes at 15°C, SP:SAMPLEPREP_SUMMARY power 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard SP:SAMPLEPREP_SUMMARY (10 µL) and Cer/Sph mixture II (10 µL) internal standards mixes from Avanti SP:SAMPLEPREP_SUMMARY Polar Lipids were then added to each sample. After overnight incubation at SP:SAMPLEPREP_SUMMARY -30°C, 750 µL MTBE was added and each tube was vortex mixed for 10 seconds and SP:SAMPLEPREP_SUMMARY shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 µL) was then SP:SAMPLEPREP_SUMMARY added, and the tube was vortex mixed for 30 seconds to form a biphasic SP:SAMPLEPREP_SUMMARY separation. After centrifuging for 15 minutes at 15,000 × g, 700 µL of the SP:SAMPLEPREP_SUMMARY clear upper phase containing lipids in MTBE was transferred to another tube and SP:SAMPLEPREP_SUMMARY dried down using a gentle stream of nitrogen. After drying down of lipid SP:SAMPLEPREP_SUMMARY extracts were resuspended in 50 µL methanol (containing 50 µg/mL BHT)/toluene SP:SAMPLEPREP_SUMMARY (90/10%, v/v). SP:PROCESSING_STORAGE_CONDITIONS On ice #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent HILIC Plus RRHD 2.1×100 mm 1.8-micron column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Count MS_METABOLITE_DATA_START Samples F2_1A1 F2_2A1 F2_3A1 F2_4A1 F2_5A1 F2_6A1 F2_7A1 F2_8A1 F2_9A1 F2_10A1 F2_11A1 F2_1B1 F2_2B1 F2_3B1 F2_4B1 F2_5B1 F2_6B1 F2_7B1 F2_8B1 F2_9B1 F2_10B1 F2_11B1 F2_1C1 F2_2C1 F2_3C1 F2_4C1 F2_5C1 F2_6C1 F2_7C1 F2_8C1 F2_9C1 F2_10C1 F2_11C1 F2_1D1 F2_2D1 F2_3D1 F2_4D1 F2_5D1 F2_6D1 F2_7D1 F2_8D1 F2_9D1 F2_10D1 F2_11D1 Factors Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA Diet:HighFat | BileAcid:DCA LPC 14:0 321512 1214736 1292867 541577 234490 1477812 1197503 416095 374655 1327905 1505482 1297752 1691292 1731117 577534 1410516 1752870 943946 1560479 1048002 1438501 1661459 1607924 1333827 1045655 1346536 1231631 997623 1844518 1839194 897325 941603 998810 1531683 904535 830543 1072613 343780 1173367 491677 500394 986716 1229884 1361790 LPC 16:0 66975412 125031176 133214792 80608224 55748260 139746288 128658416 74692976 61205412 109610904 144911824 125456592 139215888 148176352 84819304 135421712 132545288 90797048 102908160 107218528 122628376 138978960 132144488 118485368 119695960 151060848 120763560 105967896 129519536 144965984 111112816 113246336 109946400 123920336 104734720 82262824 120637152 48890616 130801880 63540328 90557024 96673872 119611008 114739536 LPC 16:1 1204108 2934641 2548537 1479884 1010138 2162120 2461757 1865359 1009311 2541019 2452630 2490473 3724075 2633624 3061575 2468317 3072772 3809189 4192122 2189766 3885873 3160436 2460902 2265097 1820220 2806897 2099549 2186353 2475350 2088515 1838268 1896450 2369382 2353507 1790368 824288 2027519 612096 1494672 833312 1276311 1668819 2243476 2354546 LPC 18:0 29119626 40309180 44000952 41956900 25375988 47037128 43825520 37339572 39836780 50153084 48911248 39161660 40374384 47145528 33876516 47353108 41186120 37393500 37259272 47255180 42419424 47834788 52968040 49440720 49762468 50659368 56802552 46590416 52900756 55180716 44756112 45828740 43272472 54357160 50550416 52077724 50965984 28059492 55631012 33340892 40931004 42353120 53065920 49277604 LPC 18:1 21651174 53549432 52992504 26908720 18131160 51174256 48950328 30528016 16196924 35133956 50625588 51761124 57574232 53032508 40235236 51064792 52732112 42066892 45568188 36130076 50986820 48485252 44102800 43795696 41646044 58095120 36869668 39256948 45025356 44899228 36864172 39136864 41363940 45286076 37368896 17888688 46832972 10070004 36228388 15000558 26388064 29301562 44669376 42441044 LPC 18:2 6537517 11992611 11866165 9836378 3096127 10666568 9652091 11662480 5856448 12729138 8618958 7099961 16894676 8073375 18035840 11880453 14903405 15159258 16799964 10190146 20083472 14265544 15606450 12978321 11733178 18962176 10521742 11255436 12011038 12364720 10685455 11533520 12579356 15557637 12982266 2613384 13405764 1741560 6689607 3225905 5412638 6999690 13140270 15276357 LPC 20:0 572445 1976006 1918597 1222256 589842 3071709 2171542 966811 1025833 2062537 2797764 1899328 1988141 2069296 1038396 2691773 2279273 1192334 1630464 1805026 2071856 3197244 1864899 1488084 1341019 2260952 1924930 1149396 1835997 1668678 1065387 1090921 1071081 3405009 1709756 1273448 1926095 550641 2034130 733287 805966 1167092 2199868 1586700 LPC 20:1 1931536 10804693 10719274 3202955 1511140 16067280 12325571 2985422 2328067 6603225 14435253 9007801 11241537 11628349 4260296 13924932 11945628 4691239 6318587 7427435 8561716 14551361 6533245 5652219 5194230 10682628 6354350 3962216 7618093 6913542 4244686 4411961 3657639 8580467 4978771 2441166 6486184 1012757 6752103 1418045 2648522 3287426 6451221 5297305 LPC 20:2 534146 1735157 1889911 963543 449704 1885605 1615463 863121 698851 1538456 1884981 1774776 1709501 2067874 1069114 2257676 1924544 1325915 1457489 1466586 1908138 1967295 1603461 1379045 1204758 2100402 1402114 1118491 1618143 1505361 1059786 1131419 1069237 1860918 1285003 626112 1569617 345063 1352190 441703 721768 1012676 1569017 1374062 LPC 20:3 631429 1296783 1365596 751356 580417 1218245 1206360 1223950 682571 1674302 1081397 1389508 1663098 1092027 1586302 1333736 1483646 1744437 1850126 1176567 1952617 1681503 1963516 1530954 1852567 2641804 1513116 1521061 1734351 1912951 1592238 1329139 1747144 2956485 1442496 909994 1566068 584534 897342 658342 563422 1197483 1598925 1631397 LPC 20:4 1653677 3090129 3669184 2049666 1763948 3196178 3065788 4154573 1934755 5302731 2314330 3978633 4220754 2558165 4489711 2053483 3215386 3696926 4371940 2447002 4756049 3691152 7401069 6649653 6881769 11808676 5844013 7125351 9051444 7322286 7069945 5667519 6421730 9220719 4035438 1439289 6633572 1513975 2250587 1376066 1466341 3198806 5458763 5660878 LPC 20:5 59441 118973 69253 55194 60006 100879 90451 122664 48294 137216 65233 91868 161821 61960 221716 63519 83340 145267 240850 82004 170727 141600 72925 72748 99318 166505 71235 64322 68785 84548 70745 65570 89811 216263 87618 35768 84109 34752 29943 30032 30764 63065 69339 109464 LPC 22:0 809172 1413547 1665221 1776568 1025261 1654377 1392545 1476281 1449402 1725966 1673038 1865985 1302540 1234201 1551048 2084483 1632873 1411937 1575369 1874221 2114171 2269981 1821325 1578295 1249730 1773751 2162702 1700036 1453012 1043828 1212223 1069333 1449810 2533453 1721540 837581 2257633 482811 1387070 801355 876204 1187375 2453162 1417168 LPC 22:1 408539 2309278 2596361 637657 324860 3788629 2509941 638281 528720 1105882 2869195 1747461 1975380 2054132 877990 3033323 2226532 899465 1067266 1697728 1736137 2888457 1417472 1182731 953868 2355181 1293002 924840 1554675 1371793 800576 825003 679618 2002947 1157595 421469 1560928 141023 1218943 224374 555296 537958 1555405 992927 LPC 22:2 54693 263540 310646 99566 44053 378190 291507 91793 85673 169386 347935 259807 268478 287784 118826 368158 295841 140823 161800 221608 251404 355454 256212 215720 180340 366675 232942 163890 288060 258236 135040 148130 126122 328602 170952 82057 275896 28834 226210 40630 92961 104497 276786 188400 LPC 22:3 35301 165923 217429 56113 25934 182979 168672 54286 44171 103468 172999 147646 168369 187604 75732 212998 187331 95025 104874 128106 165072 213037 232503 206303 160763 348915 239567 163561 270420 240173 130335 135106 127225 272937 140641 83370 250132 37272 178167 41046 75066 101093 247214 168943 LPC 22:4 217877 416941 504387 439578 259307 400224 426692 562571 396144 925807 428400 591796 495436 501388 475896 493692 496727 467967 476240 619137 957546 603491 1295101 1005847 774549 1318773 1033069 1103501 1175634 1167900 937132 803195 855180 1142612 615336 229031 846503 188455 624161 207590 289183 492130 1080076 832176 LPC 22:5 282892 588913 515275 411159 350487 531653 561139 775021 421898 834340 553162 675363 624710 496212 594268 565845 520612 488437 615320 546517 940654 633022 817130 622700 662703 1205783 629643 654892 722311 858114 753695 636410 765883 919415 543604 172093 656938 118744 411230 153449 245921 422917 718208 761790 LPC 22:6 965659 1727111 1708538 1158856 980629 1752043 1603099 2431806 1205393 2716723 1585337 2403208 2067795 1676882 2114351 1617787 1744805 2062826 2290182 1719752 2796783 2262886 2083022 1780820 1754878 2975480 1815998 1849312 1815079 2522467 2134850 1831911 2297685 3857049 1707632 842091 1816415 543300 1136807 614241 808646 1515962 2100533 2356849 LPC 24:0 2858363 4860704 5278467 6819943 3839628 4368937 5211384 5556684 5553784 7051959 5416581 7042987 4663170 4701192 5698915 6349176 5944852 5481726 6288730 7028879 7694144 8557104 6580412 5986597 5236531 5309713 7822757 6758689 5452786 4763365 4955308 3373942 6879007 7613641 5576119 3279310 8181475 1989570 5708243 3686027 2400382 4593557 8587312 4262350 LPC 24:1 410483 1737403 1783900 771461 382784 2532537 1882707 673358 570462 1104838 2127526 1495383 1639091 2062541 833959 2181587 1956103 782739 1059380 1387038 1400036 2176239 957557 1075249 979315 1301566 1117704 878365 1051386 1225126 831635 708923 877220 1262202 763968 375069 1223074 210871 1024239 315085 425791 607214 1201270 731521 LPC 26:0 94727 222989 207043 134472 76319 320861 256778 151666 127829 206080 269063 289694 318512 305230 155873 357918 359973 193867 234470 269440 278180 449156 306176 248631 193782 251014 317575 191201 332449 291944 144137 130340 149254 392759 188357 110633 300858 45547 254913 72719 97170 124625 236876 168905 LPC 26:1 106388 289725 339173 160016 92628 417614 342586 162089 152021 253127 390061 377580 359381 381527 190290 379364 469254 217118 239591 335655 301379 551889 238086 231722 190921 259503 284348 208155 288149 290593 143423 134066 185963 294150 152317 78928 295896 46384 214138 82456 79736 118498 276008 134341 18:1(d7) Lyso PC 1833847 1081880 1685487 3360060 3177253 1496541 1195980 4738688 2537126 5183809 2837129 3178336 1479497 1934277 2143374 4015039 1479784 4168571 2836742 2244866 2517505 1656925 2662065 2077397 2113901 3077074 4007791 3108654 2962804 2448322 1759327 1504652 2660027 1645211 1509480 2605185 1413558 1532749 1534753 1445137 900455 1176232 1822404 1294962 18:1(d7) Lyso PE 30731 14141 27516 51418 41809 18272 12720 74026 39335 83365 32741 48161 12639 25127 29876 69178 12838 63033 44933 29835 41037 21492 41290 27089 21250 42756 67852 46484 33507 34604 23017 19629 33013 22784 21827 47925 16715 24840 22549 20067 12043 17762 27437 17470 LPE 16:0 5503182 13090212 14537075 5877415 3598039 14682106 13081233 6551321 4429666 8933287 15543945 12246413 13265105 15355233 6998863 14191639 14163733 8192610 9239463 10619661 11569291 13511227 12712967 11666251 10571414 14408319 12204479 9046594 13775253 12737010 7968458 8574212 9407337 13700469 9949300 6686119 12169170 1281236 12106774 2839905 4956307 5264556 11426843 10460978 LPE 16:1 65520 202863 145833 79618 47295 203181 215952 105331 42810 104810 145423 143967 273519 181287 146920 172554 219898 202042 234802 133482 172508 213058 159941 148078 112544 226601 136190 142515 195466 153755 140863 94648 107405 147815 125697 39459 167129 13175 114741 29170 60428 46340 146587 133367 LPE 18:0 1646637 2521626 3400108 2349247 1245317 3247319 2660085 2198456 2057109 2816279 3201504 3251082 2908150 3940111 2090793 3583437 3119375 2821122 2563035 3387856 3189501 3347005 3473690 2830685 3010771 3449923 3547669 2618398 3871178 3134732 2609962 2703863 2839961 3685918 3125636 3162671 3141334 1089966 3645890 1703990 2388160 2384691 3289281 3057733 LPE 18:1 1747456 3568718 3358632 1765204 1248191 3480112 3275196 2101757 1060889 2491863 3928288 3763267 4108933 4221974 2226445 3355429 3995812 2520397 2856207 3006176 3410053 3757382 3513065 3080516 3205128 4510659 3154587 3011849 3708130 3448715 2674202 3148641 2807849 2819505 2780965 1343737 3515299 542775 3601476 1070220 2278442 2276852 3336893 2643742 LPE 18:2 147986 254318 249541 240945 142367 248697 241164 226127 153606 317399 217762 360120 375743 293021 311353 276276 285493 327587 370525 247758 415998 309078 308913 270680 254752 323919 274281 233454 291581 266992 229568 236868 256732 286925 274547 85815 268850 49915 216073 84266 147562 193559 319347 242996 LPE 20:0 27284 113187 83324 40388 16395 206126 123358 46570 30378 58579 139551 86724 93576 105545 43643 150400 107646 55956 63444 79856 75267 156100 62781 52360 52114 108723 66933 43361 98400 63575 42993 44746 36129 169012 71483 84178 91193 16594 115264 23769 34243 31747 80679 55341 LPE 20:1 49315 233901 244355 71181 44126 471769 272523 84363 61968 149107 357780 223139 264654 318519 116167 333883 354208 125847 137802 212830 183474 415380 150244 126822 132823 234091 141654 112668 209936 170796 81646 95608 75014 247591 149184 56718 176814 13200 169134 23615 52665 55083 162985 101406 LPE 20:2 7165 26141 23432 13034 6190 31525 20724 12310 11604 21085 27428 21542 30554 31239 14604 29893 28205 19177 26787 17770 26546 31261 23341 19418 18489 33444 24924 19551 32029 21527 17077 15596 18197 33445 19528 10669 25568 3461 24283 6190 11318 13850 28860 18158 LPE 20:3 10129 16571 17115 20610 14894 13345 16517 19610 15389 26057 18226 27107 24876 21808 25607 16182 25596 27398 30797 21081 26637 26895 23682 23501 19538 25320 23576 22162 25054 23822 18105 17027 25812 32987 20418 13905 22127 9939 16153 10418 10916 18956 27370 19012 LPE 20:4 59065 64081 72462 104113 73217 72152 62210 110475 69781 131712 87026 127775 102980 75200 109514 52507 89205 104828 113541 76381 141679 103890 138881 124405 143359 147540 110456 150709 154378 111943 112785 97606 144712 164468 100143 45970 129210 42963 63960 48669 39407 83257 116484 114425 LPE 22:0 42696 199231 148568 84492 36355 395755 240597 76990 52396 78804 308474 130303 164572 184928 70777 344852 213389 101304 100139 133740 100789 259382 115162 97311 55903 185213 130217 83047 159358 130013 81414 86694 69396 205183 126763 241085 170629 48185 167912 74112 75429 92063 88050 147204 LPE 22:1 10846 85656 71513 16954 7512 185574 113181 20977 15249 35246 143880 51082 60469 73643 22936 105680 74119 23604 32159 41517 37700 90350 28669 22792 23347 77244 28656 17473 36562 36468 15577 20636 12157 52144 29906 33935 36095 6436 36507 9713 11648 15601 29886 21669 LPE 22:4 12032 13003 17672 27533 20209 13520 12777 25946 19521 34064 20623 30724 18726 22682 22198 11094 19874 20243 18587 19774 34845 22919 30299 24632 18712 30740 30006 27655 30352 26265 20736 20229 27678 31468 18250 11062 21398 9519 15881 8863 8363 15985 32733 18122 LPE 22:5 9586 6639 8662 24285 16728 7103 7777 23168 20525 22500 11700 21602 11559 8508 17963 7443 11552 17399 16661 16070 25165 14405 13884 10750 11926 10618 12871 13140 11767 12953 15328 10628 19551 16983 10310 7597 10635 6113 7172 6795 4701 10389 11926 10656 LPE 22:6 62753 35505 55539 87387 81030 44491 41696 126201 91477 136596 63344 108108 85124 45563 101302 46069 66976 102849 89984 78626 111065 91034 60643 52993 61139 50920 72145 54794 60520 67558 66825 54868 83238 125087 56443 68278 60273 50516 37903 38599 29967 76359 67897 54222 LPE 24:0 15851 35272 16552 18740 10116 58623 35006 17466 11950 14072 32236 32852 31106 21207 15070 47127 36906 26273 22298 22584 22092 38039 23134 16530 6050 33322 25652 15836 28767 20543 12739 14182 10446 30609 19594 21941 31387 5629 29967 9720 14319 9182 12299 17502 LPE 24:1 10363 43148 34380 10672 6044 65046 43900 13333 9709 18016 63363 30152 37318 34986 17184 49796 47694 17599 18105 23841 25426 45498 13514 12601 10574 26660 17449 13843 20430 16834 9191 9870 9668 17282 14051 12755 22001 2743 16542 4662 8768 8709 14935 10042 PC(O-32:0) 4328070 5388278 5575133 6775563 5036398 5702415 4883686 6353822 5833638 5940067 5584597 8443128 5988711 3601498 6322238 8004655 6062522 7211691 5558486 7541982 6604557 6602773 5369473 5086067 2403952 5148678 6972354 4825275 6247362 4059390 3141597 2618357 3581840 5868269 4961517 10542300 5764236 5244950 8088876 6931465 3197395 4465149 5148834 3770707 PC(O-32:1) 1211631 1551767 866993 930063 890348 1558065 1485456 1124590 837154 1254866 1651464 1057282 2202812 1094532 1327711 1281897 1069192 1491107 1650899 1362770 1112437 1382462 962702 1544380 1204094 754069 1239146 1380048 1959252 1313152 1296566 1017784 1032503 1043608 1307483 3178605 1827753 1880459 2423663 1563299 1333973 1327198 1487873 871770 PC(O-32:2) 1352366 2324528 755530 580415 916053 1801753 1821967 902199 262590 942717 1584422 892137 2792653 1471095 1445221 1218335 1227292 1549591 2183562 1248812 885514 1488984 738971 1767936 1682514 494466 922380 1534132 2023363 1225295 1354461 1059933 828861 912083 1245479 1642550 1888586 1114047 2283066 698878 1587920 1047889 1485703 891239 PC(O-34:1) 7665028 11666307 6339989 5017873 5714641 13288937 11369567 6223384 3570664 6507967 10926410 6630164 13344516 9592854 7967434 9575302 8523416 7646739 9243281 9479916 7175407 8786604 6798908 15900134 11055478 6495943 7996587 11338648 12873808 12432295 11208332 9101465 7589768 9198820 10911455 11635800 14182552 6407423 17982306 7298014 8793382 7471054 11704871 6924478 PC(O-34:2) 13729974 27664340 11166791 8624371 9646726 28037856 27356170 12330854 3406971 11174660 23831166 12169356 28709962 23573052 15489585 20635636 18170250 13327649 21022438 16601916 10720672 17771264 12044591 24169494 21766054 11006427 11722082 19669748 25926602 19835884 19118340 18032592 12681219 14114904 20463040 19215920 25425626 8551145 32432368 10025574 20075148 12530459 20681986 13236379 PC(O-34:3) 5338735 9432472 3918234 2974104 4735582 10848062 9015829 4033340 1104080 5345001 10277253 4812430 10163096 7312849 6060381 7918979 6342798 6540131 7445320 6554493 4488203 7330214 2827613 6772232 6371063 2711911 3531320 4992815 6750924 4454561 5140292 4040767 3093307 5137641 6313179 6636280 7584903 3227190 9626958 3375604 6678261 3873485 4964275 4733154 PC(O-34:4) 303069 450020 187217 127475 167286 471713 414887 155887 62143 286985 448788 208163 558165 334481 234493 357267 283073 310952 410218 276257 195107 358470 203081 336218 280392 159245 281895 233926 402602 263735 294335 187255 168486 258928 290543 351037 394944 254684 438227 148497 406015 265710 260061 257137 PC(O-36:1) 705159 898648 894418 696765 739248 956425 805809 761677 798528 736957 893352 1130481 851957 1166894 867626 1123986 1001941 786110 812916 1048384 938662 937959 1039587 956919 848644 888279 850964 928823 959667 934753 895849 835707 922233 876396 967818 779170 995286 703333 1213688 902595 850607 751485 1069713 737531 PC(O-36:2) 990104 1568350 1160329 1005682 925876 1701624 1465596 1089784 843122 1088719 1490391 1254225 1436985 1316414 1122336 1689303 1318700 1290051 1346338 1346750 1138061 1272937 915733 1355327 1086306 995982 994674 1238195 1386085 1155296 1155544 988787 987902 1189691 1389614 1079926 1454747 833310 1958660 1113262 1108689 890825 1223343 983614 PC(O-36:3) 848809 1617946 920546 611721 649125 1543583 1540759 761136 583980 865765 1406561 824595 1552499 1274153 954593 1595859 1199383 1135163 1160905 1166698 834512 1285768 797379 1400050 1170884 815660 945462 1012142 1241877 1018463 1170102 856946 763950 1228290 1315782 1252219 1501959 1037719 1765818 1161684 1093599 999393 1105853 933007 PC(O-36:4) 2742176 5862472 3608383 1724382 1846901 5312189 5272235 2395453 1572539 2499426 4841468 2777896 4650655 3690116 2869388 3938173 3137085 3407300 3553663 3128498 2328435 3684920 3203051 4674295 4230172 3564378 3741995 4287591 5735898 3657775 4036372 2641537 2408453 4724715 4018632 5489546 6578757 3696069 6489379 3877377 4325325 2716316 3959943 2959678 PC(O-36:5) 10063898 13204631 10736504 5251246 8385214 13603034 9896499 8750455 5442773 7178492 10594733 8900035 12128049 5897743 8330494 7078604 6080134 7724004 6561222 9459030 7708674 8040604 7766396 12273357 9717526 9175827 10816933 10599429 17315190 8409917 8788611 6219957 6617473 13699009 11967252 15724962 20048970 6743257 18757740 7185986 12056943 4841841 12279961 5586022 PC(O-38:1) 76996 86783 107892 134657 110406 87524 88209 95764 100932 110208 87738 128618 65978 130839 119313 136215 132383 107823 89038 112012 123391 109919 93756 80761 54319 94848 91290 80023 71659 82436 71416 60805 67254 60717 95704 63083 85578 74880 59713 97155 67169 76991 70356 84854 PC(O-38:2) 163158 180670 203441 230112 225619 211279 188173 233222 201526 262284 165268 272257 199291 232244 247869 236503 256164 233238 221010 211314 227307 213020 140011 118251 98140 164140 156518 103300 119948 118301 125570 107678 124248 163775 150935 109720 125047 147759 150492 139191 160297 142135 120651 146535 PC(O-38:3) 155560 170930 206241 186345 172154 161778 158896 200181 180222 212659 165203 240839 202369 166715 225400 236657 232043 254927 180116 210916 213655 199484 193432 167649 154893 249902 216480 165162 186376 172240 160336 153985 164961 245314 237001 231695 235148 227868 217710 290202 200829 200376 182026 190455 PC(O-38:4) 594809 614751 808782 643059 633419 674463 624796 817351 713955 681904 604295 838159 597176 570783 696743 742873 732402 758360 666492 791577 662579 775358 892074 891956 668726 1113257 1075348 775361 928992 794561 826349 672039 695329 1174640 1014074 1281710 1255559 1052022 1256930 1387556 873238 861771 953081 832289 PC(O-38:5) 1613413 1305926 1378158 1609763 1677019 1173784 1371972 1969329 1815032 1409982 1122805 1713268 1331789 886486 1857460 1365647 1194286 1865976 1205869 1948040 1641227 1471986 1839486 1569578 1418169 1548556 2183184 2025862 2194812 1464972 1366614 1216973 1209352 2423886 2355503 2418248 3276235 1457177 2643581 2215149 1735484 1113898 2406050 1279516 PC(O-40:0) 593167 138886 283135 461256 808050 151139 197167 749753 797433 477383 189559 570938 477362 180340 723300 176999 257409 623273 440411 417205 554427 400256 323515 192412 201648 174047 419836 266733 180334 224387 271911 310664 433201 604377 478518 227985 309455 218386 201691 394852 398152 351332 334890 319695 PC(O-40:1) 620905 208672 436729 565836 737489 198103 259515 842265 824009 476068 238394 661531 402473 190952 728226 239352 282906 593255 410088 390264 467302 417801 328228 232067 250358 230100 520358 328804 288248 260813 385982 246453 441718 523979 526500 334797 436974 209622 248246 322425 346171 294396 340396 306896 PC(O-40:4) 141673 122163 177448 214794 184176 140671 124476 198060 183088 200246 118481 218786 134520 142341 166907 140759 181455 183480 145427 176325 184469 174768 176795 141974 109318 181855 184811 131968 138059 142638 146633 118556 123246 187516 234475 162719 186351 154289 183602 234117 146843 137700 137302 139630 PC(O-40:5) 173086 101406 168054 222155 241280 105029 104299 265487 264880 200591 103773 268961 162890 111763 253824 146118 170458 232424 155185 252289 253593 189894 241105 182150 110729 189337 255310 182460 208732 173168 185592 147746 169989 276942 289993 256142 265519 187280 271862 288574 181454 147828 270011 146489 PC(O-40:6) 335913 161761 229519 371589 439842 180245 171995 480956 485145 266718 173349 447697 265148 172182 453821 272365 261416 407600 277814 410576 376387 283016 289031 206302 143336 282092 404363 239610 239567 242775 220563 214256 242575 442035 430651 387253 398597 184836 351723 304319 279927 197116 409897 209607 PC(O-40:7) 504873 126891 218770 523215 531641 162055 128976 719104 768949 305949 125306 552956 211183 120734 567755 178899 160718 460212 248429 499408 459290 285524 311731 174688 121198 205589 428943 257958 236057 184853 173452 148474 222560 552325 452070 525198 426040 152119 327022 332534 253469 158142 445131 182684 PC(P-30:0) 224208 318505 115351 157960 155625 284413 249117 181913 108647 202775 244404 136207 416942 196432 231874 174642 159469 287252 378429 200038 177773 255629 181702 292941 259131 103950 223753 295037 430987 237118 218406 146658 174299 237068 247343 630030 331177 389376 573998 248156 260498 263162 287006 159049 PC(P-32:0) 1223822 1565038 883997 932084 895475 1581027 1495445 1124857 848541 1255023 1677826 1080955 2214037 1125581 1329298 1307765 1120999 1483764 1688563 1376737 1112828 1446993 972256 1547335 1233653 749730 1241987 1380805 1978950 1317195 1321707 1043101 1029336 1109847 1303455 3200440 1844479 1913059 2431329 1590938 1343454 1350778 1488515 891511 PC(P-32:1) 932630 1821677 551968 380098 660637 1284005 1400416 648353 177993 623247 1137068 672202 2006056 1144781 991775 898744 909691 1115359 1529825 875335 629865 1053368 554607 1334501 1278305 395801 654093 1169701 1529889 936650 995459 794013 632087 548347 857043 1309671 1275150 911768 1652550 560241 1130909 775701 1018588 606969 PC(P-34:1) 13729974 27664340 11166553 8624371 9646726 28037856 27356170 12330854 3432671 11174660 23831166 12169356 28709962 23573052 15704868 20635636 18196292 13327649 20693706 16601916 10692465 17771264 12044591 24169494 21766054 11010306 11722082 19669748 25926602 19835884 19118340 18032592 12681219 14114904 20463040 19215920 25425626 8551145 32432368 10025574 19846450 12530459 20681986 13236379 PC(P-34:2) 5338735 9432472 3918234 2974104 4735582 10848062 9015829 4033340 1104080 5345001 10277253 4812430 10163096 7312849 6060381 7918979 6342798 6540131 7445320 6554493 4488203 7330214 2827613 6772232 6371063 2711911 3531320 4992815 6750924 4454561 5140292 4040767 3093307 5137641 6313179 6636280 7584903 3227190 9626958 3375604 6678261 3873485 4964275 4733154 PC(P-34:3) 303069 450020 187217 127475 167286 471713 414887 155887 62143 286985 448788 208163 558165 334481 234493 357267 283073 310952 410218 276257 195107 358470 203081 336218 280392 159245 281895 233926 402602 263735 294335 187255 168486 258928 290543 351037 394944 255267 438227 148497 403817 265710 260061 257137 PC(P-36:0) 676206 652805 894418 696765 739248 651482 574546 761677 798528 736957 645749 1130481 586852 1166894 867626 1123986 1001941 786110 812916 1048384 938662 937959 1039587 956919 848644 888279 850964 928823 959667 934753 692251 835707 922233 876396 882846 779170 995286 703333 1213688 902595 850607 751485 1069713 737531 PC(P-36:1) 1008531 1543933 1160329 1005682 925876 1701624 1465596 1089784 843122 1088719 1490391 1254225 1436985 1316414 1122336 1689303 1318700 1290051 1346338 1346750 1138061 1272937 915733 1355327 1086306 995982 994674 1238195 1386085 1155296 1155544 988787 987902 1204176 1316016 1063635 1454747 833310 1958660 1113262 1107380 890825 1223343 983614 PC(P-36:2) 893193 1616354 979379 656397 674684 1536123 1563710 778245 642753 957276 1483786 866923 1637063 1317218 1062149 1660432 1277793 1230471 1254836 1239331 917610 1382864 850991 1489457 1226104 849269 1036890 1101080 1320663 1080289 1238616 893532 821524 1336130 1403109 1310741 1671079 1030501 1753917 1213343 1139654 993193 1209528 967247 PC(P-36:3) 2715165 5657536 3570838 1691214 1801888 5241992 5040048 2309661 1543760 2456248 4686621 2718048 4505848 3622295 2803328 3852740 3053663 3318971 3495516 3059719 2309360 3570506 3163773 4612794 4177770 3511673 3675156 4207173 5615809 3601721 4018590 2566035 2364125 4644534 3936459 5365818 6551265 2996545 6277022 3881359 4324743 2708279 3907708 2962827 PC(P-36:4) 10063898 13204631 10736504 5251246 8385214 13603034 9896499 8750455 5442773 7178492 10594733 8900035 12128049 5897743 8330494 7078604 6080134 7724004 6561222 9459030 7708674 8040604 7766396 12273357 9717526 9175827 10816933 10599429 17315190 8409917 8788611 6219957 6617473 13699009 11967252 15724962 20048970 6743257 18757740 7185986 12056943 4841841 12279961 5586022 PC(P-36:5) 336777 850050 300470 247512 320372 662555 623476 434586 180329 352719 535333 296533 867722 355189 465482 497992 324444 489446 559216 615576 292187 595523 217598 282563 254035 254567 269030 236006 352175 239519 212803 155764 177830 477481 499411 800073 601257 336865 591217 351191 526691 286328 393399 284467 PC(P-38:0) 76996 86783 107892 134657 110406 87524 75650 95764 100932 105553 87738 145358 65978 130839 119313 136215 132383 107823 89038 112012 123391 109919 93756 69466 53432 94848 91290 80023 71659 82436 71692 59407 69142 60717 81424 63083 85578 75491 59713 73717 67169 75928 70356 86717 PC(P-38:1) 163158 176509 200892 231897 222583 207697 183424 233222 208161 263963 162424 279540 199559 234115 247932 240366 251254 231577 214345 215937 226274 207867 139479 118251 97325 164605 158349 103242 118443 115593 123594 105065 130737 161091 150885 108972 125415 145769 149878 141860 160950 140908 118422 143260 PC(P-38:2) 157909 173918 208208 180760 176480 163709 158896 199382 174569 212031 165235 235234 199053 163641 226719 243020 231399 255896 176010 217447 208422 201547 194093 169758 162280 251115 220928 165162 185072 177250 163301 155284 165598 253422 240788 237516 247571 228589 218981 293965 211121 203814 182600 193967 PC(P-38:3) 594809 614751 808782 643059 633419 674463 624796 817351 713955 681904 604295 838159 597176 570783 696743 742873 732402 758360 666492 791577 662579 775358 892074 891956 668726 1113257 1075348 775361 928992 794561 826349 672039 695329 1174640 1014074 1281710 1255559 1052022 1256930 1387556 873238 861771 953081 832289 PC(P-38:4) 1549201 1250672 1331695 1553551 1617614 1137020 1299535 1918558 1749641 1398124 1077869 1647044 1277001 868120 1785981 1300691 1162439 1805486 1187427 1878271 1605666 1419072 1789874 1525002 1403035 1486000 2118550 1992934 2123982 1436001 1332994 1167493 1178546 2328669 2281315 2349723 3187743 1435292 2597299 2159627 1696606 1079600 2341686 1250592 PC(P-38:5) 1880880 1491481 1403150 1547736 2200129 1581495 1391964 2534861 2226515 1280318 1444442 1877595 1632803 1065903 2028106 1589891 1274817 2046483 1533222 2215996 1644313 1658741 1261136 1355892 975686 1151166 1631327 1519953 1792761 1098936 1198994 940249 1475698 2260940 1830022 2549186 2235989 1082611 2609726 1272635 1387434 925435 2163083 1231414 PC(P-38:6) 24275 12969 12612 18707 23984 14591 10007 29035 29637 14713 15588 23797 16177 9724 27284 16593 10744 29475 12497 26051 16626 17844 10210 9705 8280 10232 23546 17758 17332 9137 6038 5819 10209 29077 18523 35018 24381 5710 31052 7715 14303 6192 24680 7416 PC(P-40:0) 611387 208672 445022 572036 737489 198103 259515 846545 829427 480331 238394 661531 402473 190952 737636 239352 282906 613141 417290 390264 471419 428188 328228 232067 252106 230100 520358 328804 288248 260813 385982 246453 441718 529568 526500 334797 436974 225588 248246 322425 354443 294396 340396 320777 PC(P-40:1) 48761 30324 41035 54170 50078 34975 35021 62906 58707 49030 34075 63766 42597 31714 58099 48274 44799 62391 45724 51425 56405 49615 29883 26545 18584 39194 44381 24836 19606 22822 24447 22483 27860 45844 42531 34764 34530 36302 28304 40615 34599 33254 24737 31015 PC(P-40:3) 141673 122163 177448 214794 184176 140671 124476 198060 183088 200246 118481 218786 134520 142341 166907 140759 181455 183480 145427 176325 184469 174768 176795 141974 109318 181855 184811 131968 138059 142638 146633 118556 123246 187516 234475 162719 186351 154289 183602 234117 146843 137700 137302 139630 PC(P-40:4) 173086 101406 168054 222155 241280 105029 104299 265487 264880 200591 103773 268961 162890 111763 253824 146118 170458 232424 155185 252289 253593 189894 241105 182150 110729 189337 255310 182460 208732 173168 185592 147746 169989 276942 289993 256142 265519 187280 271862 288574 181454 147828 270011 146489 PC(P-40:5) 335913 161761 229519 371589 439842 180245 171995 480956 485145 266718 173349 447697 265148 172182 453821 272365 261416 407600 277814 410576 376387 283016 289031 206302 143336 282092 404363 239610 239567 242775 220563 214256 242575 442035 430651 387253 398597 184836 351723 304319 279927 197116 409897 209607 PC(P-40:6) 529335 135035 239589 560542 568108 170623 141361 786288 788608 324441 158284 609321 217087 127089 580870 218471 180890 506148 257743 539050 474093 294342 330344 188019 122574 231440 465883 265767 259413 192000 177854 149719 226035 559515 464297 532344 438389 155167 336782 334899 259611 159693 465850 184719 15:0-18:1(d7) PC 4620730 4061583 6308763 6527492 6418704 6011980 4508228 8940655 5279424 7469590 9083667 8361929 3989628 5852071 3802569 15557823 3662731 7770884 5118065 6361837 6288750 4923981 9225350 5785315 5260270 12402957 10094908 8419947 9824243 6643968 4378044 3736467 5476480 4651315 3905157 7030786 3697523 2075386 5498270 2649471 2219519 1686944 5185449 3033535 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet name Formula Mass MW structure LPC 14:0 LPC(14:0) C22H46NO7P 467.3012 14991 LPC 16:0 LPC(16:0) C24H50NO7P 495.3325 LPC 16:1 LPC(16:1) C24H48NO7P 493.3168 LPC 18:0 LPC(18:0) C26H54NO7P 523.3638 LPC 18:1 LPC(18:1) C26H52NO7P 521.3481 LPC 18:2 LPC(18:2) C26H50NO7P 519.3325 LPC 20:0 LPC(20:0) C28H58NO7P 551.3951 LPC 20:1 LPC(20:1) C28H56NO7P 549.3794 LPC 20:2 LPC(20:2) C28H54NO7P 547.3638 LPC 20:3 LPC(20:3) C28H52NO7P 545.3481 LPC 20:4 LPC(20:4) C28H50NO7P 543.3325 LPC 20:5 LPC(20:5) C28H48NO7P 541.3168 LPC 22:0 LPC(22:0) C30H62NO7P 579.4264 LPC 22:1 LPC(22:1) C30H60NO7P 577.4107 LPC 22:2 LPC(22:2) C30H58NO7P 575.3951 LPC 22:3 LPC(22:3) C30H56NO7P 573.3794 LPC 22:4 LPC(22:4) C30H54NO7P 571.3638 LPC 22:5 LPC(22:5) C30H52NO7P 569.3481 LPC 22:6 LPC(22:6) C30H50NO7P 567.3325 LPC 24:0 LPC(24:0) C32H66NO7P 607.4577 LPC 24:1 LPC(24:1) C32H64NO7P 605.442 LPC 26:0 LPC(26:0) C34H70NO7P 635.489 LPC 26:1 LPC(26:1) C34H68NO7P 633.4733 18:1(d7) Lyso PC 18:1(d7) Lyso PE LPE 16:0 LPE(16:0) C21H44NO7P 453.2855 LPE 16:1 LPE(16:1) C21H42NO7P 451.2699 LPE 18:0 LPE(18:0) C23H48NO7P 481.3168 LPE 18:1 LPE(18:1) C23H46NO7P 479.3012 LPE 18:2 LPE(18:2) C23H44NO7P 477.2855 LPE 20:0 LPE(20:0) C25H52NO7P 509.3481 LPE 20:1 LPE(20:1) C25H50NO7P 507.3325 LPE 20:2 LPE(20:2) C25H48NO7P 505.3168 LPE 20:3 LPE(20:3) C25H46NO7P 503.3012 LPE 20:4 LPE(20:4) C25H44NO7P 501.2855 LPE 22:0 LPE(22:0) C27H56NO7P 537.3794 LPE 22:1 LPE(22:1) C27H54NO7P 535.3638 LPE 22:4 LPE(22:4) C27H48NO7P 529.3168 LPE 22:5 LPE(22:5) C27H46NO7P 527.3012 LPE 22:6 LPE(22:6) C27H44NO7P 525.2855 LPE 24:0 LPE(24:0) C29H60NO7P 565.4107 LPE 24:1 LPE(24:1) C29H58NO7P 563.3951 PC(O-32:0) PC(O-32:0) C40H82NO7P 719.5829 PC(O-32:1) PC(P-32:0)/PC(O-32:1) C40H80NO7P 717.5672 PC(O-32:2) PC(P-32:1)/PC(O-32:2) C40H78NO7P 715.5516 PC(O-34:1) PC(O-34:1) C42H84NO7P 745.598542 PC(O-34:2) PC(O-34:2) C42H82NO7P 743.582892 PC(O-34:3) PC(P-34:2)/PC(O-34:3) C42H80NO7P 741.5672 PC(O-34:4) PC(P-34:3)/PC(O-34:4) C42H78NO7P 739.5516 PC(O-36:1) PC(P-36:0)/PC(O-36:1) C44H88NO7P 773.6298 PC(O-36:2) PC(P-36:1)/PC(O-36:2) C44H86NO7P 771.6142 PC(O-36:3) PC(P-36:2)/PC(O-36:3) C44H84NO7P 769.5985 PC(O-36:4) PC(P-36:3)/PC(O-36:4) C44H82NO7P 767.5829 PC(O-36:5) PC(P-36:4)/PC(O-36:5) C44H80NO7P 765.5672 PC(O-38:1) PC(P-38:0)/PC(O-38:1) C46H92NO7P 801.6611 PC(O-38:2) PC(P-38:1)/PC(O-38:2) C46H90NO7P 799.6455 PC(O-38:3) PC(P-38:2)/PC(O-38:3) C46H88NO7P 797.6298 PC(O-38:4) PC(P-38:3)/PC(O-38:4) C46H86NO7P 795.6142 PC(O-38:5) PC(P-38:4)/PC(O-38:5) C46H84NO7P 793.5985 PC(O-40:0) PC(O-40:0) C48H98NO7P 831.7081 PC(O-40:1) PC(P-40:0)/PC(O-40:1) C48H96NO7P 829.6924 PC(O-40:4) PC(P-40:3)/PC(O-40:4) C48H90NO7P 823.6455 PC(O-40:5) PC(P-40:4)/PC(O-40:5) C48H88NO7P 821.6298 PC(O-40:6) PC(P-40:5)/PC(O-40:6) C48H86NO7P 819.6142 PC(O-40:7) PC(P-40:6)/PC(O-40:7) C48H84NO7P 817.5985 PC(P-30:0) PC(P-30:0)/PC(O-30:1) C38H76NO7P 689.5359 PC(P-32:0) PC(P-32:0)/PC(O-32:1) C40H80NO7P 717.5672 PC(P-32:1) PC(P-32:1)/PC(O-32:2) C40H78NO7P 715.5516 PC(P-34:1) PC(P-34:1)/PC(O-34:2) C42H82NO7P 743.5829 PC(P-34:2) PC(P-34:2)/PC(O-34:3) C42H80NO7P 741.5672 PC(P-34:3) PC(P-34:3)/PC(O-34:4) C42H78NO7P 739.5516 PC(P-36:0) PC(P-36:0)/PC(O-36:1) C44H88NO7P 773.6298 PC(P-36:1) PC(P-36:1)/PC(O-36:2) C44H86NO7P 771.6142 PC(P-36:2) PC(P-36:2)/PC(O-36:3) C44H84NO7P 769.5985 PC(P-36:3) PC(P-36:3)/PC(O-36:4) C44H82NO7P 767.5829 PC(P-36:4) PC(P-36:4)/PC(O-36:5) C44H80NO7P 765.5672 PC(P-36:5) PC(P-36:5)/PC(O-36:6) C44H78NO7P 763.5516 PC(P-38:0) PC(P-38:0)/PC(O-38:1) C46H92NO7P 801.6611 PC(P-38:1) PC(P-38:1)/PC(O-38:2) C46H90NO7P 799.6455 PC(P-38:2) PC(P-38:2)/PC(O-38:3) C46H88NO7P 797.6298 PC(P-38:3) PC(P-38:3)/PC(O-38:4) C46H86NO7P 795.6142 PC(P-38:4) PC(P-38:4)/PC(O-38:5) C46H84NO7P 793.5985 PC(P-38:5) PC(P-38:5)/PC(O-38:6) C46H82NO7P 791.5829 PC(P-38:6) PC(P-38:6)/PC(O-38:7) C46H80NO7P 789.5672 PC(P-40:0) PC(P-40:0)/PC(O-40:1) C48H96NO7P 829.6924 PC(P-40:1) PC(P-40:1)/PC(O-40:2) C48H94NO7P 827.6768 PC(P-40:3) PC(P-40:3)/PC(O-40:4) C48H90NO7P 823.6455 PC(P-40:4) PC(P-40:4)/PC(O-40:5) C48H88NO7P 821.6298 PC(P-40:5) PC(P-40:5)/PC(O-40:6) C48H86NO7P 819.6142 PC(P-40:6) PC(P-40:6)/PC(O-40:7) C48H84NO7P 817.5985 15:0-18:1(d7) PC METABOLITES_END #END