#METABOLOMICS WORKBENCH jeffreymolendijk_20200326_144715 DATATRACK_ID:1956 STUDY_ID:ST001336 ANALYSIS_ID:AN002229 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 Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent ZORBAX RRHD Eclipse Plus C18, 2.1 x 50 mm, 1.8 µm #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Count MS_METABOLITE_DATA_START Samples TU_10A1 TU_10B1 TU_10C1 TU_10D1 TU_11A1 TU_11B1 TU_11C1 TU_11D1 TU_1A1 TU_1B1 TU_1C1 TU_1D1 TU_2A1 TU_2B1 TU_2C1 TU_2D1 TU_3A1 TU_3B1 TU_3C1 TU_3D1 TU_4A1 TU_4B1 TU_4C1 TU_4D1 TU_5A1 TU_5B1 TU_5C1 TU_5D1 TU_6A1 TU_6B1 TU_6C1 TU_6D1 TU_7A1 TU_7B1 TU_7C1 TU_7D1 TU_8A1 TU_8B1 TU_8C1 TU_8D1 TU_9A1 TU_9B1 TU_9C1 TU_9D1 Factors Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Diet:Normal | BileAcid:water Diet:Normal | BileAcid:DCA Diet:HighFat | BileAcid:water Diet:HighFat | BileAcid:DCA Sphingosine 18:1; [M+H]+ 10211187.83 14993897.25 9437593.459 4741385.362 13731879.99 17687208.38 13717585.03 7524953.961 4399280.855 17814014.22 17059573.25 15992784.5 13012595.15 18868030.82 17325497.5 14065324.88 14706895.73 13454102.68 12477446.71 8654705.433 9935620.99 12306874.37 17192767.73 19256816.04 2936067.255 16427087.68 18657921.15 4694907.341 15062085.05 17542363.29 22523613.46 22644178.81 17907320.94 12664862.96 18703081.4 19787493.89 10248608.6 9899402.077 13007655.67 4303978.358 6326707.721 18821371.71 12764406.57 8600848.677 LPE 16:1e; [M+H]+ 12404062.45 74777310.6 79142483.16 91818485.99 113911388.7 98911505.36 61335580.51 91354569.95 40164727 68827042.02 77295169.65 108662109.2 105402733.2 68860539.9 84489476.74 80536138.41 84930720.31 77617539.25 78458617.66 132630589.1 60369903.25 59163695.88 92511836.98 84987996.36 30790608.96 107631057.7 83524591.97 101244110.8 116451190.5 90760113.95 86075587.79 98390556.96 109007752.4 80356477.88 98504368.99 88685741.15 63733002.32 98608316.56 85815395.35 53379817.35 59628803.26 93462395.29 59264765.29 100754822.3 LPE 16:0; [M+H]+ 42621077.05 49374097.09 56250192.76 59640837.97 52984911.54 56245087.09 46704964.32 51633912.7 28424872.42 54122355.46 53854984.24 66040167.37 58425643.44 52729164.25 53034580.49 56623269.21 59152869.99 47552826.91 51305726.73 40994012.86 37995137.56 48877415.26 50015631.93 57841781.16 17690654.01 59543660.77 54117344.66 NA 59484314.08 62369863.98 56856551.65 52766392.32 58568775.47 53339630.13 62461233.42 2357651.677 42163509.67 54279914.81 48287680.56 36777940.17 26886115.78 59829042.02 43615168.86 44590151.97 LPE 18:3e; [M+H]+ 6452025.946 5644201.379 5883831.752 8040133.637 8777846.819 7696535.426 4269062.063 6470088.96 2920341.379 6455295.721 5685290.585 8546727.054 8060709.729 5063662.063 6115564.869 5678534.802 7318352.931 5801114.948 5269112.575 7274042.589 4571241.529 5560119.655 7157230.347 5805996.639 1847700.994 9008629.636 6484212.702 2963977.028 9780387.896 7511857.82 6567890.505 5920004.247 8168151.397 6136572.04 7882589.495 4596955.214 4706224.296 7170289.453 5302902.095 3758407.153 3627868.112 6716731.216 3666622.28 7482101.734 LPE 18:1e; [M+H]+ 64925723.61 53684694.28 76503094.11 95045124.2 99481757.5 75432363.57 52204969.36 97811991.67 22620315.48 49599781.56 82834711.12 123888318.7 80687207.02 45189355.13 79752614.65 83708062.13 58729880.23 53409054.73 69958427.74 140534665.8 40930398.74 38660847.48 98275002.1 77832448.41 15338597.5 85488064.15 80316698.1 84248943.4 103569958.4 64882947.34 85431803.15 92915759.51 82180807.63 62817221.78 111369292.7 82904084.8 47209130.84 74124387.27 77638657.04 44207682.53 45384133.09 67821815.62 48431206.48 99263015.32 LPC 16:1e; [M+H]+ 46752876.07 41040676.64 50821699.34 46870281.48 53065868.25 43544112.35 42725816.81 45725581.7 78680811.68 46052492.44 33805669.18 37073996.2 48235524.27 42026563.85 48302303.27 40717129.1 35727608.2 45202361.65 45678748.58 77703851.21 52310583.28 68058863.37 40535224.96 42599715.6 38589142.18 46798243.68 43552885.18 76018720.97 48954149.42 52691350.73 48861249.88 60587238.95 52251211.14 54664117.77 44384989.05 80419863.73 43684453.62 50369487.16 42772015.13 50648510.54 62028408.08 43367498.7 48730726.32 65994466.54 LPE 20:3e; [M+H]+ 1760909.792 1386038.779 911881.5 1259236.646 2440378.454 1759527.312 516155.5369 1378848.398 284463.8828 1138622.39 1223880.718 1919764.967 1588357.964 733332.1032 857867.3041 771566.0343 1176895.979 1227263.691 624240.4483 1207524.85 765115.5159 526310.9349 1425906.502 785855.5553 216157.6263 2368515 1062302.941 563409.0585 1791295.188 1292108.339 945504.9253 1142926.77 1725657.224 905157.4559 1663461.364 620602.902 810631.4899 1163771.798 1108594.051 338037.8815 684512.5944 1551701.132 398775.7411 1043889.733 LPC 16:2-SN1; [M+H]+ 1785664.144 3065259.115 2223887.426 2016303.293 2920352.126 2744814.722 1288698.69 1786050.725 162016.6611 1253794.506 2518973.931 2387210.67 1394564.882 1641656.991 1784997.664 973368.167 876803.0018 2262461.399 1881742.303 180180.0808 487400.7697 813804.5561 3329135.916 997080.502 115201.9161 1547362.062 1600432.571 175687.3408 1759523.036 2621616.641 1441831.931 630797.1994 1695831.864 1562376.545 2036652.333 244150.7935 548874.9808 1682837.128 2257532.275 159113.5318 225984.8418 849828.878 1208132.79 1512248.418 LPC 16:1-SN1; [M+H]+ 60015956.59 94271413.98 74393243.45 70916853.82 91973402.97 91914115.27 60862595.55 90018449.26 14231704.72 57590204.94 70050933.49 74123364.93 87524411.09 81787567.25 79909642.73 38553399.33 63415075.31 83664844.04 59443743.29 10927380.17 18354442.64 47677934.92 83362875.98 42493867.67 6391172.93 80962586.79 53838758.07 8384044.03 90108476.27 97736825.74 72180641.91 34925059.04 83005925.4 80318235.03 85513636.7 10532579.68 23732185.19 111669914.5 76334855.99 17515978.43 9175679.876 47635431.29 38177628.32 64994710.5 LPC 16:0-SN1; [M+H]+ 69557537.69 201664992.8 136213851.5 143000038.7 211518568.1 201361773.2 174806842.2 174778133.5 79929274.3 175245548.3 188375426.4 163894845.7 182978906.1 184440465.1 136625527.4 100958981.8 156421723 175969673.9 120090527.4 134816178.6 143823905 143502918.9 210159484.2 182477156 236619698.6 186376995.7 173786140 37782290.36 218276264.8 176168556.6 125780868.9 171968522.8 183730555.5 178982981.1 193303549.5 49142850.65 87083335.04 188814689 191292167.7 83904688.01 76387874.85 112758343.4 222908060.5 193475976.7 LPC 16:0; [M+Na]+ 1176186.379 6495215.733 4836888.399 3992829.686 673647.322 2252211.626 13855719.21 3166093.703 49328426.99 8798504.786 6684447.713 4147439.953 1507623.222 8032256.392 5077175.158 14548588.04 7661371.603 3023325.15 6826048.489 3094291.416 24703180.68 27290418.28 3280325.386 12593350.53 54082553.17 1478088.239 6904637.365 7607732.177 933509.8041 3268225.606 5897867.466 4030415.605 1536473.734 14189329.22 1460968.751 17493948.04 37842708.89 4336615.083 3176793.256 31591827.99 52654316.53 11041468.93 19858792.95 854279.5299 LPC 18:2-SN1; [M+H]+ NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA LPC 20:1; [M+Na]+ 46183977.38 63262238.71 54923052.99 70814354.62 116190066.6 134939542.5 18961721.24 54130280.41 13442804.88 61885952 41373444.49 108237934.3 114322608.7 61603771.2 52070471.8 54705397.9 115566503.6 89510790.72 34364113.71 39567192.61 24531633.9 42358079.7 84065708.07 56558126.24 10997926.86 149425007.2 46603159.37 11837921.69 143906546 136618607.1 60977331.93 43446053.09 137769852.8 85677489.3 83397112.15 13323861.39 43755037.28 96777953.02 33316563.96 9526556.995 21872563.07 83433377.25 18150766.4 49825715.96 LPC 22:3-SN1; [M+H]+ 3408184.643 2588944.741 2595207.649 3813512.828 3274307.509 3168712.375 2830667.731 3124089.037 125888.5391 1774994.953 2900782.045 3894096.955 2679209.48 1688268 2880489.307 1627620.53 2606321.981 2222628.871 1906458.14 1252099.518 632968.2325 797947.7421 4086007.143 2484639.498 6627.689987 3425877.823 2662522.573 284568.6784 3559571.655 3229145.22 2733587.479 2288333.628 2580195.822 1958816.058 4283271.532 263706.6667 480754.6969 2238120.186 2590977.007 328052.7122 295393.7544 1751557.927 2490452.25 2191406.512 LPC 24:4-SN1; [M+H]+ 3522633.094 3806863.804 4049183.497 5722313.579 4407514.166 4217211.307 2710231.021 3476178.78 215791.2604 2572094.862 4697591.95 4461152.137 3690766.225 1965075.46 5541411.524 2576696.643 3854764.623 2350488.949 3512769.136 2179353.414 1246721.927 1595362.605 6150801.215 4097573.6 69227.95916 1619198.228 4948750.025 726744.1574 2513353.172 3209012.551 5751706.266 3397153.496 3619008.151 1175167.191 7939725.031 880529.2726 765724.9277 2596460.525 4346583.299 913582.2717 774702.4693 1448633.422 2434288.341 3271953.888 DAG 34:1; DAG 16:0-18:1; [M+NH4]+ 2895704.011 1232549.408 4906715.538 1782453.711 1141387.747 1139759.881 2287913.347 2964143.079 2006110.131 1462510.166 3441043.878 5272785.986 1536481.91 984395.0492 4086656.03 3715808.455 942053.977 588479.8614 788013.976 5051292.959 1258842.97 1997259.739 1502900.159 3890730.927 2146285.94 629622.2066 2006873.816 2342641.288 934134.396 941421.4664 9264261.66 2045846.386 821714.8596 4144416.747 5985812.315 2265606.991 4435508.31 2145064.803 2946409.488 1576699.09 2523478.008 1396461.857 2938781.942 3662261.967 DAG 36:5; DAG 18:2-18:3; [M+NH4]+ 994856.7217 722795.3075 876352.7081 524523.389 94010.36761 256750.9098 458035.4578 454184.1399 423430.1811 186394.1821 312326.0452 438863.0123 551460.123 105634.2693 443672.6022 610966.4402 971029.8615 152165.2909 334335.9722 677959.3144 65732.16146 443203.2368 77082.94895 380245.1517 604668.4976 209042.5349 132062.4894 177185.8485 275011.5448 100017.928 1138341.902 198292.9847 186050.6555 1697864.197 1203453.186 149814.4916 1386745.65 460939.683 455409.179 227130.7511 648954.871 563149.8097 419149.5778 587160.7992 DAG 36:2; DAG 18:1-18:1; [M+NH4]+ 11407828.83 6612964.513 17029458.09 4445794.474 2327936.718 3687549.625 9282110.585 10830397.25 7350585.316 4697880.519 13572495.43 13141731.43 4696872.758 3085430.006 7591093.2 14982277.83 5601382.039 1745072.008 4002199.123 6655382.508 3649168.632 7571080.299 2330924.396 7474628.9 8051338.004 1696132.409 5204186.455 6070915.1 2016701.82 2173710.69 11720713.99 4757494.553 1938628.53 23045572.26 23185709.12 5257022.893 17700449.1 7158152.967 9565344.54 4777869.252 9765276.104 5621143.658 12730393.13 11029970.18 LPC 28:1-SN1; [M+H]+ 299101.4326 268285.3416 466820.9021 852151.6589 492434.302 490044.106 217145.5015 359972.7977 280643.3803 126012.2742 422706.4212 566691.4916 660623.2114 537435.1689 751293.8123 606163.871 225899.3958 254748.7555 390581.1842 893154.9765 264831.9503 399470.5351 208055.6009 474755.9498 252173.3071 333310.3609 347583.9027 559430.632 887449.1422 352348.4379 775686.1271 723453.1744 468843.4648 655931.3891 983148.5028 292905.8307 337962.1546 1316122.813 466361.0269 310747.4867 136699.1779 398804.3441 269387.3784 585190.1462 PE 32:2e; PE 16:1e/16:1; [M+H]+ 644886.3668 744689.72 740666.6159 574130.3852 1129011.197 1483265.546 372726.7534 1018831.972 885349.6406 648784.3768 611817.7437 826666.4597 1576334.97 1992115.089 1012098.696 892055.0384 686120.0773 833147.0777 539833.7974 1368675.331 657924.6277 1401608.401 398371.3996 809612.7376 710928.8062 1480833.67 594078.2528 1047825.236 1351541.486 1267636.266 1022785.145 1193588.389 1370663.985 2158390.818 1109464.915 797583.6827 745779.0909 3117172.884 603661.2981 728971.6017 541964.6462 1215062.646 568267.7453 888698.7985 PC 30:1e; [M+H]+ 2414879.829 1763845.796 2477890.229 3336116.394 3485558.918 2933032.248 1678656.457 2403617.836 1863733.811 1424119.188 2030248.635 2505361.536 4255723.61 3433620.174 4440118.716 2566041.27 1537774.819 2026342.333 2991247.923 7482634.748 1609071.003 2541495.325 1003171.365 3093836.939 1626775.804 2443907.952 2328267.283 4984524.607 4512836.66 2236475.231 3959926.081 5505410.65 3298555.006 3503669.275 5636527.344 2852889.342 1612757.01 5399543.42 2628052.927 2284511.224 964763.4938 2338096.935 1585642.241 4156206.569 HexCer-NS d34:2; HexCer-NS d18:1/16:1; [M+H]+ 1324471.004 2980826.118 5184153.588 1864103.448 6965018.682 5499135.992 1854925.676 5916200.044 7564098.987 5545479.287 8729534.11 7765037.197 13299679.04 9189286.419 7758732.694 7490901.435 5862227.958 5790897.48 2045134.999 15007926.28 6694832.593 5592213.677 10080143.34 8931499.522 4585696.721 11343011.19 6651402.085 4186436.703 16472785.43 7718956.658 7015623.064 11982427.67 11530920.72 6257957.545 10883394.07 8649904.749 5244983.863 5963073.981 6894837.709 6268749.181 4705101.01 6816356.509 4613958.348 2019775.104 SM d34:2; [M+H]+ 75574497.91 95674527.96 62135535.17 106358987.2 118228644.3 100684858.3 60304562.81 87707878.07 71606547.37 79522812.87 85375467.7 94457404.27 80962527.3 99288468.6 83356454.41 87406376.23 70687729.29 92091733.79 67438034.05 81441779.19 61211533.42 67330710.38 97444422.74 99938998.52 44280337.36 78634816.36 83922142.87 58201291 107905569.2 80185199.45 83647414.64 121196108.3 94480220.65 57617673.57 88774075.7 72870935.71 63590356.05 78782245.7 104820945.5 79365859 57068771.98 78062681.18 77374146.91 67181194.68 SM t33:2; [M+H]+ 1423038.233 6124506.762 6953241.226 563721.5859 502090.9601 4972288.942 899896.2165 5733308.354 2747808.555 7784976.604 6580478.556 6669601.849 928774.4807 4097451.457 4423634.389 8061112.088 8609.26432 998373.6901 385551.6571 555807.4541 7696872.791 7792589.665 475575.8667 3979946.974 9402501.946 346471.608 2209869.04 3241798.4 415896.4284 2302533.366 3992363.336 3549050.852 1068362.392 11915524.42 4183292.632 3242966.151 4258299.063 11973517 4666606.039 2591913.618 5282112.973 2678335.881 3291257.153 2893653.286 PC 30:1; PC 12:0-18:1; [M+H]+ 2827713.199 802299.2794 532849.9055 560784.269 4477473.769 562424.5123 522638.1969 580721.1675 564122.3346 776987.8138 646252.3124 543642.7593 1041485.543 395335.526 500347.914 384192.1825 600521.1212 595379.2475 479371.6729 534839.926 2083400.647 461165.9169 761427.189 284023.8866 474650.9752 1415161.996 972201.8982 272884.4758 968240.7439 443611.5734 779052.2407 309467.3768 625096.9691 1021381.195 789872.2336 257735.0197 1860465.164 892628.3744 680403.8522 139105.756 2525178.318 735803.8103 289861.9473 463045.0284 PC 32:1e; [M+H]+ 13075144.9 11828577.1 12676576.04 9912487.335 16705754.8 13958290.61 9715406.516 13420770.26 16029338.4 12197450.97 13081827.12 13501886.69 14194673.73 11979525.51 15805480.25 12467006.14 8895852.926 9364027.804 9369039.563 68666905.7 13251051.3 13144580.69 8241185.428 13536857.55 10352966.8 5227022.376 14970081.02 43388282.33 16478825.37 12202442.66 15351199.1 19232767.91 16794199.55 13321161.94 19476714.75 33926064.73 14593819.46 15711388.67 13065603.31 9802255.911 14119859.62 14933003.4 15595516.27 18998131.05 PE 36:4e; PE 16:2e/20:2; [M+H]+ 5994977.259 7889743.398 11262105.23 7372507.499 11365416.07 11069071.31 6322381.708 10986045.88 8990585.833 8175738.38 8684083.816 11913006.46 11272034.81 10724435.91 13787020.23 12643371.06 9687269.252 9200387.334 8080951.728 16264275.1 8976054.612 11312029.79 7469376.241 12658975.32 8741291.721 10532494.34 10186777.2 8521704.397 10254607.06 12800302.09 13629185.75 12530033.68 12883833 11671390.23 13381519.09 12402711.11 9051639.926 16334154.51 8966068.872 10101835.86 8714212.608 11429412.03 9832282.22 13448040.83 PE 36:3e; PE 18:1e/18:2; [M+H]+ 3282935.048 7159278.033 5879201.748 3220759.354 7579394.13 8527406.711 2855588.887 8271097.532 6200243.125 7018407.264 5125635.35 7067658.968 6657220.48 8556736.976 7387334.631 8525609.695 5230653.069 4367217.153 2529877.274 7887494.488 8893855.199 9926636.664 3355683.414 6298897.616 6903398.773 8793060.083 6197796.82 7545702.984 7087209.209 8262961.153 7053918.545 8097427.902 7600826.768 10183895.51 6378904.374 8763740.526 7611646.147 13641413.56 4648374.19 5289290.807 7648855.526 8567421.144 4828280.367 8223593.105 PC 33:3; PC 15:1-18:2; [M+H]+ 8184044.868 4114841.492 14788028.92 15187350.89 11058640.21 8054798.619 7538592.812 10445175.88 7796602.693 6497017.13 11700944.92 9885929.503 24727595.24 6208136.073 14779308.39 10983946.93 6407103.948 22538236.16 23660768.73 8309545.592 8255531.617 9623898.535 19264312.12 10538211.53 10300803.59 28000164.3 7885027.606 8490523.362 20329799.79 7133734.555 13027741.07 10639160.72 21612736.52 9210755.548 17284861.07 7000496.346 7908394.709 7492020.419 9559068.614 14235586.71 7941206.478 15035508.05 10255947.37 7069453.426 PC 34:2; [M+H]+ 254259546.6 228757088.5 237259899.2 248749221.6 251984082.1 260028869.3 216975811 256867908.8 226668477.8 250231423 212515427.7 278404789.1 270051945.6 241268070.8 222901940.3 253074326.4 262781948 238871142.9 234349453.6 222203261.6 239281715.8 264510838.8 273750195.6 231925554.4 230373626 272491883.7 215078463 216631606.1 270456311 280088192 229195090.3 215992228.6 261147644.9 272845238.7 232376678.4 227006380.6 247902775.4 280711420.3 222288861.7 209420555.6 240975224.3 243307370.6 191974789.1 257155847 PC 34:1; PC 16:0-18:1; [M+H]+ 348756017.4 349213800.5 338012017.9 349522422.8 355540248.2 367374611.5 334419763.2 374750962.7 314107210.6 352645784.5 344031894.8 107653857.2 355627790.7 319493747.5 320159525.4 332062782.4 366662799.1 329841477.1 328508729.4 333041403.2 335980257.9 354526853.3 382855656.4 327942853.3 310285026.4 354428773.7 368863095.4 330950660.7 118129543.2 375681611.5 349271051.9 312753667.2 358796395.7 377885456.2 336779961.3 335175851.8 340711487.3 371060578.6 328910534.9 307143052.9 331246975.7 347668185.1 286404799.4 368880406 PC 35:5; PC 15:1-20:4; [M+H]+ 1344364.5 2644921.26 9503820.564 1343040 715524.7844 1266080.559 4894929.329 1338513.729 10341190.32 8112275.632 4779778.758 1369977.004 758503.2477 998049.1208 2679759.972 6371724.163 4755060.542 2137780.187 3768913.922 1531063.934 11289604.57 7775127.343 2650617.534 4036918.672 14882667.92 1212923.831 3130771.648 8489398.654 434142.2092 2904442.435 5963520.018 972292.3599 845439.7388 4700714.929 4241623.383 10326755.75 11371531.31 2231184.762 3828479.208 5259505.933 13295682.14 3094081.986 5170460.102 7272848.068 PC 36:2e; [M+H]+ 15507571.38 27711072.15 38222163.11 23421384.6 40443928.02 25890796.66 18907976.23 33897228.58 10390003.13 21388060.63 14593614.66 47655725.91 34092942.41 33323531.75 45438752.29 45458695.43 12718919.63 19107147.74 15483297.87 28185342.56 19472279.87 32512363.54 11580572.75 36547802.79 12946857.72 34941147.96 29453708.07 8366703.784 43540791.07 32104394.82 43062718.3 48957836.48 30310472.02 36518780.62 57051642.98 20415476 26919786.91 39834596.5 20927968.95 12792008.81 4539959.694 30733532.62 16854120.61 24524559.7 PC 36:6; [M+H]+ 1562794.475 5331559.208 2369076.987 2291464.591 1438358.961 2840645.91 7432358.735 3879246.63 6690058.927 5668489.678 2442941.631 4263987.576 854300.8855 3448886.79 1623833.661 2397479.894 1196344.133 1031832.842 1034901.395 1939658.855 3477278.611 3510695.259 1127063.819 2331850.382 2867634.716 461223.8738 3802615.795 2220474.462 749374.751 1413056.021 2406083.89 1771503.896 1054497.127 2396077.622 1898962.034 4215512.91 4762522.45 2007665.918 3521338.21 3137809.883 6947930.647 2339223.01 5302006.898 2867297.969 PC 36:2; PC 18:1-18:1; [M+H]+ 288008663 274030455.6 236856651.1 236580675.8 189500359.3 245979454.3 218673535.8 285280061.8 233743854 260539338.5 242597684.7 274868861.6 189861797.6 189396557 189780755.6 251754334.8 241973748.2 167950875.2 187724843.7 173699577.8 284933748.3 283307386.8 252488027.8 205520001.8 253218428.6 216798500.7 243391429.9 213468669.4 185998706 249313494.7 215021466.5 149547168.1 216588914.6 127727898 189171766.6 230097522 294156720 277149931.6 205230509.8 185577236.1 294192749.7 237551006.8 177717073.3 281044309.8 PC 37:0; [M+H]+ 38061.84243 47423.98189 203780.32 9894.372687 178930.7927 169320.2075 30744.08583 176291.2615 121525.5282 90683.80233 139666.0929 194241.0221 296016.2201 221091.7304 215754.6778 202386.5786 112309.3788 187608.24 59192.81453 313137.5535 67760.22481 175926.9714 144108.6408 158427.3165 22407.39045 360863.8934 83126.4017 79673.82977 336783.8736 231081.9697 181260.17 218122.6217 315717.868 197208.4396 201902.0553 93145.11974 100341.7192 302644.1261 151932.1988 106577.0192 16483.01748 216485.6897 93370.75238 89932.52869 PC 38:6; PC 16:0-22:6; [M+H]+ 147145945.6 148297127.4 160748854.9 158760101.1 74447317.39 107417895.9 158012562.5 149864081.8 150799179.9 144644353.4 124846944.4 174463525.6 66891308.57 95612092.02 124239262.1 142358795 88995475 59255547.34 90435549.81 114476959.8 164124294.6 172074601.7 74814221.32 104285028.4 163348257.1 41627138.16 146223448.3 132828669.2 59778887.24 104062686.3 125115277 70477370.73 70162226.82 162985501.9 108051697.5 123163719.9 188571943.5 156307161.5 117287869.5 92541718.04 175366127.4 118236262 129642976.2 176428311.4 PC 38:5; [M+H]+ 104963384.6 98611331.78 110771027.4 104600767.6 41536490.64 60605648.9 111506978.2 95237918.52 92024933.6 55662008.53 87300597.57 95173273.59 47727819.67 49043141.28 82365972.12 82119941.36 53696434.44 34140268.76 66914105.96 74501425.39 105613603.6 98781609.9 44557815.77 60237824.99 118005461.1 20822018.28 99843486.73 111669842 42435025.55 44299829.82 110155489.2 43256269.49 51029557.42 92854407.6 75966455.47 82564934.68 119136690.2 82371167.88 76807547.21 65613712.38 115315217 80780533.24 86667261.04 126756017.1 PC 36:2; [M+Na]+ 27152720.51 12239774.87 16125225.2 17945451.94 8744543.283 10346069.8 16616118.99 15434601.6 23548367.85 12348116.43 14788753.9 15753652.5 11390680.01 6201643.719 8931902.073 12741766.61 23599666.07 9771683.29 17799224.93 10382507.57 20130129.08 15828183.11 14744094.38 7679524.595 30819518.05 12560324.18 12506962.53 27049712.32 9460215.617 12104764.06 12309744.1 4259791.561 10396242.76 21539378.94 8462695.676 19724237.43 24588496.62 13933986.65 9717251.556 18298763.33 29325851.74 14172950.81 12509488.26 14469538.24 PC 40:6e; [M+H]+ 1622907.89 3443313.038 2921393.302 2856058.287 1916953.439 2215002.815 1600531.194 3050314.539 390015.7063 2370268.124 2671809.869 3164953.634 1869166.028 1588163.333 2553571.204 1871439.789 1183307.876 632855.2928 1942176.711 3473350.653 4322465.682 2654978.196 1794542.594 2180713.434 455970.718 2021565.754 2883129.339 2589769.761 1735774.34 2214934.774 2711023.778 1267484.653 1909444.072 3279677.275 2061656.119 2595793.28 3913989.927 2591715.456 2150669.328 562543.6185 1281324.612 2610982.107 1111381.548 5351457.569 TAG 48:2; TAG 14:0-16:0-18:2; [M+NH4]+ 424063.6269 11700958.51 18530428.13 457888.1778 1603535.346 16566128.71 304909.1489 12095809.24 40609442.98 20207613.59 29588763.69 14473925.44 17898420.03 37460465.97 27770194.62 32033513.07 417369.6172 1677435.443 156452.0581 25917614.88 54277746.85 45169274.72 23349134.6 28547559.07 51511893.86 8628992.558 25081966.87 5487810.88 7785760.15 39306243.28 32566195.45 26594940.2 31909974.36 62120198.05 37158836.76 24932494.22 51856991.33 46011778.75 19511496.51 11619957.18 45667262.82 58711851.07 12270643.93 3273784.201 TAG 48:1; TAG 14:0-16:0-18:1; [M+NH4]+ 432441.7235 8388362.578 14250346.2 847190.1233 2498525.098 12797486.39 304258.6914 10762921.31 22520966.26 14820691.67 16758104.46 11439185.52 23712742.31 21292478.52 17637584.41 19509584.52 453020.7752 1572045.652 263419.3109 19968816.75 32841616.89 26639891.71 18488997.26 17889071.17 29023826.65 17561587.51 15815274.95 4512081.739 18277477.58 26133184.12 18859678.82 17106139.97 34322521.65 33097529.8 22063726.59 15991184.04 27800941.51 26684313.48 14316973.69 10376059.96 26608377.69 33361307.8 10590566.03 3050579.639 PC 40:6; PC 20:3-20:3; [M+H]+ 40450495.63 50302032.51 49583302.52 46476188.36 12325705.27 25387605.26 49769543.97 41947932.32 41883848.91 34503504.27 39111893.52 39160412.93 9343821.048 16931085.03 29963133.79 37552159.07 22246044.72 14011844.67 23597502.44 18235531.25 56743181.4 44425393.59 14989774.43 20146637.92 49596636.22 9715598.781 37693450.55 33585224.42 6740121.051 23509148.68 43051612.79 14778817.91 10700758.35 35906810.67 21038937.07 32219427.87 49631964.03 33646413.27 31126745.68 25421462.15 52437229.81 33773447.24 34903512.47 47833653.22 TAG 50:3; TAG 16:0-16:1-18:2; [M+NH4]+ 772823.033 25814699.59 55120298.37 1092514.329 2405527.237 38369076.46 695985.6064 39018581.16 83448215.51 41340798.9 71307948.65 47120131.74 42510082.22 70774718.72 67607904.45 73214334.46 276256.1369 2638822.417 261823.6008 54455439.65 89916829.15 85702997.32 47767529.25 65525581.22 93916114.78 12511184.47 65064043.72 18128957.39 12012933.94 76043552.5 74619419.49 61116284.27 52194712.08 106381166.4 79525342.37 64669599.6 97866302.43 92718078.18 52412386.85 38250708.7 83517369.85 93581758.63 39787877.68 10325266.35 TAG 50:2; TAG 16:0-16:1-18:1; [M+NH4]+ 1425735.786 39586396.45 62084418.17 3592508.756 8141717.608 47729290.48 1327922.546 51153384.9 97417166.42 53278709.79 65043627.68 55655762.91 72502414.65 85260861.96 84456594.64 69756355.19 1312528.613 5635313.083 696049.6577 67361407.29 115788569.8 104513263.4 65226807.55 79003943.07 110980384.5 47078663.51 63987552.61 31864443.86 50367235.31 84130197.3 76312768.41 75014702.56 86986774.07 126534977.9 96803033.58 63621069.39 115105874.4 106522593.1 67207092 45739198.77 103353057.7 95806909.82 46785569.64 21259305.1 TAG 50:1; TAG 16:0-16:0-18:1; [M+NH4]+ 984963.0898 24351570.97 26908063.73 4054721.138 6583576.728 19666964.94 910741.6538 23563107.46 19542708.75 10667830.58 14580575.01 22238036.13 57533976.02 15394957.74 11144293.59 15702628.71 1177932.37 3447893.755 1165629.321 30133357.62 38493321.85 18680644.56 32925257.86 28974382.34 19298023.47 34027812.09 27242370.85 7701995.578 49246898.03 15928850.38 9665301.683 28778475.64 56512395.34 17614630.11 13672507.62 28423303.64 21062510.08 37990179.3 26540905.81 22627130.3 22123563.27 16858733.57 21792535.94 9534285.882 TAG 50:0; TAG 16:0-16:0-18:0; [M+NH4]+ 99031.99359 2905446.495 2451257.214 1142086.068 1551822.16 1869090.948 80750.23075 2410916.016 2566168.857 1729714.336 2038354.049 2005524.666 7104670.232 2155251.914 1759911.518 2243330.409 147099.074 674698.5819 161496.3934 2793563.556 3142278.294 2598444.273 3282848.925 2559655.857 2700328.641 6184605.68 2399275.554 1291978.877 7039622.97 2509018.454 1522386.079 2688238.455 6353217.512 2703716.668 2157221.293 2560747.24 2853049.26 3354139.515 2563539.221 2268702.191 2863915.517 2609268.217 2118645.35 1308321.944 PC 42:8; [M+H]+ 1801210.412 1527612.867 1308989.848 1493665.754 579831.0146 1080159.799 965181.7306 1261187.902 1010562.999 903205.152 1450227.919 998431.0749 503349.2072 650362.8128 1490801.16 1192987.938 833109.4332 465025.9225 854226.2377 1103767.519 1366602.257 1018498.018 578790.3641 940808.893 1468739.307 571618.8917 1452144.621 1780493.482 260013.224 582391.2553 1600976.739 516626.0451 413780.5006 915201.7598 848434.6899 1420672.547 1107064.957 851530.1325 938872.8297 734194.8295 1514423.096 923377.9028 1167965.258 1983744.313 PI 34:1; [M+Na]+ 1168614.027 2422570.616 1999883.32 2657261.963 3525211.29 3415775.766 986821.3655 2409122.685 1109200.998 2409445.021 2526754.015 3631228.738 2761443.358 2470984.99 2487418.548 2362060.988 2347165.425 1622268.5 1351576.75 2528968.292 1619048.916 2044144.284 3360520.508 2818181.592 966010.2695 2639211.197 2502225.313 843163.9196 3707483.759 2702818.84 2707454.508 2834972.543 2883474.817 2258235.082 4353232.057 1353213.36 1756304.015 2738129.864 2200203.516 764592.4227 1356783.118 2134312.02 1092734.012 1629450.766 TAG 52:4; TAG 16:1-18:1-18:2; [M+NH4]+ 963722.1967 33895920.7 87478369.28 1891180.908 2686326.679 55412976.73 893936.7321 32030411.11 104038201.6 47295049.42 103848766.5 78828793.41 69784626.85 82725599.65 103704677.3 104104179.1 1030440.011 2282952.24 344205.7367 105735811.5 101566109.8 105947508.8 62298889.92 97220293.01 115456734.1 13909019.41 97567745.22 29753548.06 20946062.09 89367179.24 116053200.7 90202220.35 48997606.58 114106363.1 113815145.7 94663809.22 115860555.9 124039253 85492554.44 64618456.24 103911768.3 96190223.24 68663363.98 17706615.3 TAG 52:3; TAG 16:0-18:1-18:2; [M+NH4]+ 2468302.173 64962464.68 127358318.4 8247636.85 10245886.26 85308782.04 2876219.382 108298269.2 135330977.1 81460613.89 136103589 120463887.7 111509635.7 109325071.8 140028555.1 169865733.2 1961231.59 7173825.306 1211492.045 169862100.8 136887765.3 141331335.6 106054218.5 127998444.7 148312762.8 46527194.04 131064991.4 71627497.18 57755029.73 130435486.4 189493144.1 144300517.7 97450330.53 150929120.9 150928311.4 126656896.7 149802495.9 190816510.9 114591725.8 96547684.57 137619981.4 166604206.4 101689601.6 51313778.24 TAG 52:2; TAG 16:0-18:1-18:1; [M+NH4]+ 3379014.118 61392397.86 142826166.2 15575916.19 17008333.66 85654465.21 4211054.051 119272253.6 113996652.6 87119134.52 111813112.9 129238743.1 129128069.6 119969729.3 156788508.6 154832684.5 2850543.479 8886787.521 2653216.168 134611661.9 118957477.2 158508520 130813688.7 111812651.7 169997877.7 63999376.81 113282669 77776852.19 76174885.51 117948475.6 145747973.9 104104157.5 123181021 131550625.4 130823397.1 109771551.5 126274842.5 168074320.3 129576902.1 111534928.2 118960799.9 120839477.3 115234913.5 47887057.47 TAG 52:1; TAG 16:0-18:0-18:1; [M+NH4]+ 380935.2404 15102947.39 30558868.53 2175478.926 2650379.161 16189063.04 1229397.387 25261316.74 32524056.48 16608599.41 30724080.48 26881036.91 19337043.1 23769302 31578627.23 32526001.27 242273.6881 2406224.179 223411.0761 43239291.91 35787836.02 33760665.08 31866843.45 33958133.23 36780584.63 8231712.186 31959718.31 14252897.89 10837564.88 32517709.06 38546356.65 31545691.77 18267283.53 37617558.42 38788155.35 31624436.42 37167470.05 35387330.46 27932447.58 24341225.74 35190897.09 34235961.69 23959497.3 10580104.43 PI 36:3; [M+Na]+ 453516.8751 824690.543 904108.5136 1033283.67 1299417.608 1434152.688 465790.7871 1120063.093 453897.2895 1017960.805 1184944.383 1381288.553 1025939.166 1050378.4 1012517.114 913529.8995 1254349.327 761247.0257 1188994.532 994470.1332 630488.7704 911648.3573 1516119.818 1201913.084 296541.4636 1153884.812 1699253.631 305488.7093 1660614.127 1285804.322 1200029.169 1112150.654 1149199.228 845794.6433 1802467.665 459105.0209 552547.5438 1096569.849 924976.408 417695.5612 457751.3089 751593.8803 419255.085 657283.5925 PI 36:1; [M+Na]+ 2393864.956 3897649.593 6302947.37 6138765.917 4485178.67 4094141.785 3605364.33 5766379.091 5538055.678 4843031.881 6246111.302 6567962.788 5532640.854 4091799.372 6124271.759 6348621.736 6209897.574 4881142.599 5204919.216 5950233.545 5333102.007 5092949.839 5637212.895 5486678.795 5761780.565 4311378.888 5039228.494 4952178.257 4862051.569 4663803.866 6437912.463 5393647.34 5160041.697 4382754.53 6391196.411 5341948.236 5134900.66 4518177.689 4943897.436 6339932.402 5676353.266 4945751.168 4681581.448 3833954.636 PI 38:5; [M+NH4]+ 248637.0573 352580.5803 287993.8305 422267.9234 441152.472 361320.5414 129061.7555 339627.2563 199118.7319 349053.3081 334017.4257 558375.0273 344647.5511 288207.4317 287100.3298 303845.9103 430511.2721 187643.0826 161529.2106 214731.3079 262071.7425 363162.1525 460587.3586 288761.2281 196732.792 365957.3731 307161.5895 166803.6699 395442.5975 371063.4894 305542.888 318641.8445 360573.6384 392171.0347 387035.2874 246453.2564 331488.9793 394238.9378 253432.2404 133614.961 253693.243 356593.2564 139555.1487 320854.0494 TAG 54:3; TAG 18:1-18:1-18:1; [M+NH4]+ 2849472.613 48413042.97 108940986.3 11451295.8 11373296.91 69365761.8 3294529.776 81437230.93 99602408.55 52230331.29 101592024.6 89331509.25 83194116.41 74603665.81 104655758.6 108132169.3 4262574.592 5980253.631 2047547.568 83828380.9 98204039.2 105671867.4 67204343.59 90662273.82 115481325.1 42031758.76 100122708.1 61878408.44 41839149.76 103875320.3 112360257.5 82628306.35 66814198.87 110270108.8 110311809.3 102163498 111796270 117407029.6 77501602.48 72637917.5 95315054.54 127000289.9 73465430.87 45859505.6 PI 38:4; [M+NH4]+ 327716.7125 505160.7004 804306.4535 769808.5925 575356.5077 530214.9443 445324.0135 746049.8389 652797.586 609138.2281 772846.9421 849438.2726 690210.7944 512012.6781 784873.4708 793491.0306 733589.7567 560793.5895 600573.8656 771986.9426 704541.919 672752.3603 700626.7742 660399.5723 725681.1703 545232.0755 669852.052 642976.3549 616257.0962 614771.2846 816062.1118 662987.9525 662905.7439 595910.1699 834525.2479 674283.0827 672608.3974 609956.2568 609610.8435 705732.0162 727262.4599 648693.2175 579906.5365 522818.9809 TAG 54:2; TAG 18:0-18:1-18:1; [M+NH4]+ 1240301.616 18245639.8 48802758.02 5521110.343 5420489.456 21733365.2 1360448.743 44031216.76 44246319.09 20461666.43 59435378.71 49430742.42 48834926.31 33313260.47 59268500.74 71645740.82 1618348.063 2347095.5 1177664.258 71487330.64 56264678.32 56381935.75 45942523.18 61157257.23 54462210.42 20416102.48 62075954.6 21308605.92 26842743.24 61408408.75 72421266.25 55387390.66 43093312.27 53401014.53 70302254.62 60846178.29 49715596.39 59492136.55 46527257.87 44873569.14 49880941.64 56618634.04 41515592.12 15435680.48 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet name Formula Mass MW structure retention times Precursor.m.z AdductIon SMILES InChIKey Sphingosine 18:1; [M+H]+ Sphingosine C18H37NO2 299.2824 30474 0.7624334 300.2902 [M+H]+ CCCCCCCCCCCCCC=CC(O)C(N)CO WWUZIQQURGPMPG-CCEZHUSRNA-N LPE 16:1e; [M+H]+ LPE(P-16:0)/LPE(O-16:1) C21H44NO6P 437.2906 16410 1.397883 438.2988 [M+H]+ CCCCCCC=C/CCCCCCCCOCC(O)COP(O)(=O)OCCN RRTPYUGIBQLEDN-FPLPWBNLNA-N LPE 16:0; [M+H]+ LPE(16:0) C21H44NO7P 453.2855 1.132883 454.2917 [M+H]+ CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN YVYMBNSKXOXSKW-UHFFFAOYNA-N LPE 18:3e; [M+H]+ LPE(P-18:2)/LPE(O-18:3) C23H44NO6P 461.2906 1.326183 462.2971 [M+H]+ CCC=C/CC=C/CC=C/CCCCCCCCOCC(O)COP(O)(=O)OCCN WGYJVKYUUAEBMJ-PDBXOOCHNA-N LPE 18:1e; [M+H]+ LPE(P-18:0)/LPE(O-18:1) C23H48NO6P 465.3219 2.29435 466.3298 [M+H]+ CCCCCCCCC=C/CCCCCCCCOCC(O)COP(O)(=O)OCCN CDONWGCJDDHTLP-KTKRTIGZNA-N LPC 16:1e; [M+H]+ LPC(P-16:0)/LPC(O-16:1) C24H50NO6P 479.3376 2.359467 480.3441 [M+H]+ CCCCCCC=C/CCCCCCCCOCC(O)COP([O-])(=O)OCC[N+](C)(C)C PLQWZMJRHVARFU-KHPPLWFENA-N LPE 20:3e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a]+ LPC(16:0) C24H50NO7P 495.3325 1.756333 518.3149 [M+Na]+ CCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C ASWBNKHCZGQVJV-UHFFFAOYNA-N LPC 18:2-SN1; [M+H]+ LPC(18:2) C26H50NO7P 519.3325 0.84125 520.338 [M+H]+ CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C SPJFYYJXNPEZDW-UTJQPWESNA-N LPC 20:1; [M+Na]+ LPC(20:1) C28H56NO7P 549.3794 2.402467 572.3677 [M+Na]+ CCCCCCCCC=C/CCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C YYSFWGQAKJTHRE-SEYXRHQNNA-N LPC 22:3-SN1; [M+H]+ 1.811517 574.3855 [M+H]+ CCCCCC=C/CC=C/CC=C/CCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C NICUUPBXCTYIAM-YOILPLPUNA-N LPC 24:4-SN1; [M+H]+ 2.154483 600.4016 [M+H]+ CCC=C/CC=C/CC=C/CC=C/CCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C FFCOHGLMJQZHQM-DOFZRALJNA-N DAG 34:1; DAG 16:0-18:1; [M+NH4]+ 7.246367 612.5546 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/CCCCCCCC YEJYLHKQOBOSCP-ZCXUNETKNA-N DAG 36:5; DAG 18:2-18:3; [M+NH4]+ 5.696317 632.5228 [M+NH4]+ CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/CC=C/CC=C/CC PGXBELQFNRPKBC-DYXXURTGNA-N DAG 36:2; DAG 18:1-18:1; [M+NH4]+ 7.4072 638.571 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/CCCCCCCC AFSHUZFNMVJNKX-CLFAGFIQNA-N LPC 28:1-SN1; [M+H]+ 4.818233 662.5093 [M+H]+ CCCCCCCCCCC=C/CCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C UKVNGEBYOOQIDB-PFONDFGANA-N PE 32:2e; PE 16:1e/16:1; [M+H]+ 5.456583 674.5103 [M+H]+ CCCCCCC=C/CCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCC=C/CCCCCC LXPNPYVUDOMVDN-VMNXYWKNNA-N PC 30:1e; [M+H]+ PC(P-30:0)/PC(O-30:1) C38H76NO7P 689.5359 5.3933 690.5417 [M+H]+ CCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=C/CCCCCCCC CNXQXEMKYGYFSY-ZCXUNETKNA-N HexCer-NS d34:2; HexCer-NS d18:1/16:1; [M+H]+ HexCer(d18:1/16:1) C40H75NO8 697.5493 4.762717 698.5541 [M+H]+ CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCC=C/CCCCCC YRNLHUQENKOSRP-WGSUTADTNA-N SM d34:2; [M+H]+ SM(d34:2) C39H77N2O6P 700.5519 4.426317 701.5583 [M+H]+ CCCCCCCC=C/CC=C/CCCCCCCCCCCCCC(=O)NC(COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCC YRLHWLLUJAPBIQ-NFYLBXPENA-N SM t33:2; [M+H]+ 8.525217 703.5277 [M+H]+ CCCCCCCCCC=CCCCC(O)C(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=C/CCCCC QKODZWUIZRLQFN-XNYJDNTINA-N PC 30:1; PC 12:0-18:1; [M+H]+ PC(12:0_18:1) C38H74NO8P 703.515207 1.01125 704.5134 [M+H]+ CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC LPUZRKCOBURCPA-HNENSFHCNA-N PC 32:1e; [M+H]+ PC(P-32:0)/PC(O-32:1) C40H80NO7P 717.5672 6.195283 718.5727 [M+H]+ CCCCCCCCCCC=C/CCCCCCCCCCCC(=O)OC(COCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C LQQMWURSSDKNHJ-VXPUYCOJNA-N PE 36:4e; PE 16:2e/20:2; [M+H]+ 5.5218 726.5353 [M+H]+ CCCCCC=C/CC=C/CCCCCCCCCC(=O)OC(COCCCCCCCCC=C/CC=C/CCC)COP(O)(=O)OCCN RZTJAGWTWPGSOF-XUFHYYMQNA-N PE 36:3e; PE 18:1e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e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a]+ PC(36:2) C44H84NO8P 785.5935 6.0706 808.5806 [M+Na]+ CCCCCCCC=C/CC=C/CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C OQIUJECZRPKREF-GJLVVWLQNA-N PC 40:6e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a]+ PI(34:1) C43H81O13P 836.5415 4.20165 859.5308 [M+Na]+ CCCCCCCCCCC=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O IRBFVYAOJSGZPV-NXVVXOECNA-N TAG 52:4; TAG 16:1-18:1-18:2; [M+NH4]+ 10.8868 872.7675 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCC)COC(=O)CCCCCCCC=C/CC=C/CCCCC WHSWXEYWNPTUPW-KPJCRDJJNA-N TAG 52:3; TAG 16:0-18:1-18:2; [M+NH4]+ 11.26015 874.7844 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC KGLAHZTWGPHKFF-FBSASISJNA-N TAG 52:2; TAG 16:0-18:1-18:1; [M+NH4]+ 11.63933 876.7994 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC JFISYPWOVQNHLS-LBXGSASVNA-N TAG 52:1; TAG 16:0-18:0-18:1; [M+NH4]+ 11.79558 878.8081 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC NPCZZYKITFKRQZ-RFBIWTDZNA-N PI 36:3; [M+Na]+ PI(36:3) C45H81O13P 860.5415 4.277966 883.5284 [M+Na]+ CCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC=C/CC=C/CC=C/CCCCC MNAWEWOEUPZGNZ-NKTIKPMXNA-N PI 36:1; [M+Na]+ PI(36:1) C45H85O13P 864.5728 4.81725 887.5612 [M+Na]+ CCCCCCCCCCC=C/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O VSJNPCNBMVHIPZ-MSUUIHNZNA-N PI 38:5; [M+NH4]+ PI(38:5) C47H81O13P 884.5415 4.20435 902.5765 [M+NH4]+ CCCCC=C/CCCCCCCC(=O)OCC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCC=C/CC=C/CC=C/CC=C/CC FRECHIGMANZWMF-REJVNYKHNA-N TAG 54:3; TAG 18:1-18:1-18:1; [M+NH4]+ 11.67643 902.8178 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC PHYFQTYBJUILEZ-IUPFWZBJSA-N PI 38:4; [M+NH4]+ PI(38:4) C47H83O13P 886.5571 4.722483 904.5875 [M+NH4]+ CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC=C/CC=C/CC=C/CC=C/CC CTXNRCRDKKMEOB-OFAZCYPNNA-N TAG 54:2; TAG 18:0-18:1-18:1; [M+NH4]+ 11.75313 904.8293 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC RYNHWWNZNIGDAQ-CDAVXRBQNA-N METABOLITES_END #END