#METABOLOMICS WORKBENCH jeffreymolendijk_20200326_144715 DATATRACK_ID:1956 STUDY_ID:ST001336 ANALYSIS_ID:AN002230 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 SU_10A SU_10B SU_10C SU_10D SU_11A SU_11B SU_11C SU_11D SU_1A SU_1B SU_1C SU_1D SU_2A SU_2B SU_2C SU_2D SU_3A SU_3B SU_3C SU_3D SU_4A SU_4B SU_4C SU_4D SU_5A SU_5B SU_5C SU_5D SU_6A SU_6B SU_6C SU_6D SU_7A SU_7B SU_7C SU_7D SU_8A SU_8B SU_8C SU_8D SU_9A SU_9B SU_9C SU_9D 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 Tryptophan 348574.309 224996.6296 182688.5647 181126.9318 509630.3872 286441.3666 232371.2729 198449.9122 190366.6467 309445.0293 295670.1365 250777.3752 216269.7344 224196.0325 187129.1032 202270.3322 236460.604 196114.1535 230250.1688 196146.5382 230036.6229 239196.4853 192335.5742 217492.7479 175579.599 186594.022 205556.4852 250750.0959 176818.6508 185446.3284 239427.4771 235246.8668 212748.3978 331790.0079 278447.0898 320143.2279 243911.9112 241620.5111 266967.178 190891.3774 235528.0013 252879.6418 248760.5663 220806.597 Sphingosine 17:1; [M+H]+ 2460483.422 1880677.783 1684332.763 2102189.838 2829023.375 2153942.761 1956053.354 1864758.69 2036907.028 6036815.008 1730220.611 1453863.716 843072.0846 4820323.209 1657377.632 1900286.022 2041210.098 2207230.052 2030440.905 2274816.584 2579318.066 2521333.977 2253687.598 2148502.813 2002988.305 1501497.936 1477242.283 2209692.25 1805270.713 1758319.168 2070338.558 3117531.761 1916959.199 5641426.296 1919095.956 1883969.818 2205384.546 1814667.567 2114833.877 2037062.187 1559649.941 2303428.872 2007361.422 1582288.915 Sphinganine 17:0; [M+H]+ 4621831.86 2892340.292 3448033.728 4400966.733 4249136.969 3880620.185 3049673.165 4065336.213 3315370.709 7039409.279 3131255.756 2890554.512 3921955.527 6834937.084 3171667.646 3754976.53 2911234.021 3596083.453 4157820.297 4290033.403 4661892.416 3840473.075 3741062.859 4312067.554 5218341.252 2736682.332 2230216.087 3649211.749 3543765.157 2742199.631 3757588.443 5681484.447 3110582.433 8275755.951 3976497.203 3817462.851 3842784.626 3443022.056 3817490.583 3861334.496 3376538.202 5213161.207 3317587.316 3287672.673 LPE 16:0; [M+H]+ 1819668.065 1938033.806 1074557.935 1307027.147 2046373.879 1658888.05 1240300.4 1282055.134 1520239.444 1277934.693 882771.9257 858481.3307 1489556.32 1588862.667 964599.7142 1214247.872 1371640.41 1325759.368 991130.7236 1332329.206 1998572.546 1438210.274 1157640.734 1257352.512 1752595.395 1369614.177 816678.9302 1338164.755 1533130.224 1184556.037 1167671.458 1091726.859 1710238.905 1552419.865 1061487.327 1156079.068 1459624.733 1690890.129 1108353.722 1463539.096 1700929.263 1732468.044 937117.8545 1315340.559 LPC 14:0; [M+H]+ 3333694.784 5141369.418 4547227.515 3232762.973 5426142.18 5038580.282 5852774.647 2189323.946 4413707.81 11500819.73 4191800.019 2713758.024 4580678.701 8508637.329 3159641.532 2705266.271 3632045.647 5662702.114 3793918.292 5599908.331 4024000.007 4545573.788 3733961.089 4136854.65 4814263.645 3743117.125 3784815.861 4199186.569 3535060.039 5006474.23 5379054.339 3221057.655 4689703.528 11060258.71 3224098.223 3443084.988 3902767.641 4631773.968 4624486.397 3601855.823 3395811.309 5944171.191 4952264.217 2897186.827 LPE 18:2; [M+H]+ 5054471.372 3976679.548 4206055.009 2855757.932 4902739.789 3295419.388 3158922.262 2369956.859 3728167.983 4652829.312 1267256.606 2761694.993 4018531.935 4511470.591 2813530.485 2777842.016 3614272.263 3994647.036 3649145.536 5482392.154 5879716.755 3263980.594 2232885.17 4990328.304 5138196.377 3361079.285 1712451.276 2472053.308 5752131.669 4183110.157 3231964.578 4126548.057 4296782.627 2756089.731 2620475.764 3418997.656 3226927.567 3330425.828 4524833.454 1552059.128 4192124.071 3638715.273 2966441.45 2555231.358 LPC 15:0-SN1; [M+H]+ 4773349.957 6590511.731 2614098.758 2913045.639 5184731.518 7053160.596 2271723.488 2732047.652 3154487.861 38732390.51 2329535.117 2922602.598 4759449.804 10032250.99 2433078.18 3137740.263 3892853.523 18514123.81 1845598.083 2576028.645 5297251.95 7400802.579 2791640.607 2548039.638 5125497.939 11201996.86 2327960.015 2284492.946 5195989.617 32078782.1 2195212.836 2515883.808 4164332.562 19169940.85 2042315.81 2273420.162 4750048.796 6265439.818 2515994.765 3054141.959 3906420.144 7597375.091 2400920.327 2458736.757 Cer-NS d30:1; Cer-NS d18:1/12:0; [M+H]+ 1727985.816 1295551.662 1261040.552 1346553.16 1612556.401 1472172.157 1509425.029 1118321.396 1538156.623 1389359.283 950925.6312 981531.8004 1501194.289 1424893.871 1012659.964 1359571.088 1287150.296 1478079.247 1443977.678 1368550.227 1869449.315 1227801.72 1263897.01 1487559.958 1451980.756 864735.4497 1061739.867 1260939.919 1374633.909 1135893.101 1526070.614 2106842.754 1353102.933 1583414.828 1229571.848 1301972.736 1622958.281 1219900.46 1488074.995 1430957.491 1105646.97 1454025.91 1566829.269 1111571.097 LPC 16:1; [M+H]+ 36156496.45 71235457.27 31122715.83 35028087.89 57057985.68 73076362.72 48982132.92 25068718.15 40572506.36 64306434.01 34316191.46 26709921.9 48252784.65 68156198.34 29109215.2 24849480.3 40501639.88 59639692.43 29178200.83 47441929.61 43636298.74 61390329.42 32891556.99 36073911.2 48482659.72 55726485.91 38348697.72 45270004.22 35839357.06 50860445.35 38030962.06 32291775.13 50182839.41 79593114.5 31216328.84 39650470.8 47239088.78 66613945.8 30141233.49 38013403.6 41321247.56 76771064.34 36155373.38 32627740.37 LPC 16:1-SN1; [M+H]+ 120414.3903 130434.4683 141310.2204 109484.7201 97337.89451 136961.4441 143028.1572 97811.31285 99616.28274 102928.1766 97603.66564 88905.50443 129865.126 97304.13062 79855.19503 114032.629 60271.1601 89516.1056 109271.4798 111350.0862 64875.02125 103477.9188 88404.45128 117916.5605 115926.2468 112475.6889 95187.81121 106263.0836 91257.21663 75858.63896 115493.1439 123364.4232 91753.96248 105902.226 104573.2032 125400.2413 115160.921 148045.2648 96263.68426 105320.028 91826.40018 108143.0435 118670.6048 116068.346 LPE 20:5; [M+H]+ 1313043.447 1039892.96 780245.6117 631276.51 1290377.638 892728.4026 617326.2025 580266.4564 958400.4997 1166500.549 487566.1306 632885.709 1182710.106 1145339.473 550205.9308 685267.233 753428.9653 852620.6637 665543.1048 982934.8597 1414873.59 866102.6888 478701.9243 963004.6592 1116702.043 861327.0865 346717.5632 547399.7104 1416902.368 907035.1807 577774.9577 870364.2665 1183838.873 791027.7206 521389.1955 776848.9382 981022.1 869452.3165 821266.1994 426680.6692 1136318.032 919918.7571 563953.3603 628847.7823 LPE 20:4; [M+H]+ 5368280.282 2245726.798 7459423.741 4406598.942 4905273.151 1928466.901 6554577.199 3399185.37 5668681.748 1785272.502 5055530.378 3203031.057 5285782.367 2737481.145 5115429.441 3079602.757 2694595.195 2489976.824 6989796.963 6708062.757 5383557.641 2194415.323 5849904.378 6459878.682 6502711.104 1164535.992 4034319.868 5906363.961 4185645.177 1928596.368 8410136.918 5103436.164 5739132.028 1471739.825 4819864.41 4460180.529 5067514.467 1985162.686 8267229.096 4558537.153 4022247.453 998339.4454 6834094.043 4500648.969 LPC 17:1-SN1; [M+H]+ 3826532.499 5202382.073 3439599.774 3536919.363 4981800.565 6189118.621 4557559.104 3190574.886 3106430.528 4873776.929 1839449.515 2937422.086 4214317.501 6413811.101 3371287.054 3270077.846 3472268.605 7490805.342 3449855.19 4487634.718 4778845.78 6318580.645 3763171.113 3661845.944 4355465.384 5656168.963 4124284.234 4098813.284 3799074.453 8864178 4067823.411 3523941.483 3999285.304 9949448.399 3203704.827 3542803.754 4224112.74 4886785.984 3772947.585 3975527.36 3240395.901 6885483.641 3903543.964 3216220.224 LPC 18:1e; [M+H]+ 1198335.613 1616274.461 2267072.969 837197.1792 1168625.141 1923408.623 2907715.114 915005.5331 2485624.254 2193631.751 2985054.435 1126739.404 2050982.423 2328298.921 1955407.566 874404.3163 1355848.363 2377347.143 1803568.262 2378546.267 3026696.586 1406903.457 2912696.198 1610773.385 2140214.698 713348.0142 2288059.645 1948465.527 1821719.041 1392639.293 3161809.644 1000669.681 2444008.757 1983177.249 1659940.691 2289873.653 2370246.257 977297.4613 2300015.449 1760905.766 1714720.327 1586880.419 2787771.414 1137633.323 LPC 18:5-SN1; [M+H]+ 206939.6134 199869.3761 211341.7414 149978.9674 212524.9908 233638.5286 251629.1316 110585.8328 172849.2994 331425.9476 197203.7785 131239.8058 215836.5332 426071.6596 153964.2787 139572.2258 141061.1617 149370.3362 188603.0731 235231.7132 177483.0467 214176.2622 194218.3837 181070.7866 229364.6451 127185.1851 188803.2226 231652.7186 186596.5677 136882.4419 253565.2945 180332.0601 176030.1671 393972.1648 138472.6499 189725.7054 200250.4407 224349.9023 220235.2252 199871.7378 179348.1118 221318.645 273960.7628 168109.661 LPC 18:3; [M+H]+ 65026124.35 71258683.33 69852737.47 71122263.37 55695560.18 68828038.48 32224451.8 68234606.79 96109212.84 59074821.29 72915153.74 74024096.13 69106661.78 53368961.48 67751717.63 67872896.93 61597408.53 67693831.84 60252985.26 41919375.47 75459118.36 64932476.71 81547896.97 62321951.33 64107348.87 69901583.68 47764714.92 44990862.65 80356091.42 75971533.6 33365198.07 64816682.51 67638817.48 52268536.47 61280150.92 66179356.12 66208795.17 71761291.89 89016768.95 69398703.67 72717973.5 57980600.11 53069128.92 68434460.5 LPC 16:0; [M+Na]+ 32564824.1 27262090.18 31931956.29 21786565.28 28307149.19 27414954.86 34920733.62 16731200.79 24616740.03 33205849.02 23081150.4 20656672.42 29421007.42 23263901.15 31607977.45 21023911.32 22347225.91 28154142.65 20574901.26 24537653.85 29763620.06 14292359.1 25694099.57 26131082.61 33622309.85 31079550.38 30372319.43 32907085.95 46008455.22 23668372.18 36801340.41 33680674.91 27381570.24 26442424.29 19434893.6 28995304.79 29195707.46 32108170.49 23158506.87 25079892.96 28662230.88 22998923.11 35122207.82 24804911.41 LPC 18:1; [M+H]+ 264930762.2 258053063.1 275095198 230995786.4 225186263 269636450.1 315892268.2 202899312.9 276495120.9 164525506 238694436.6 206463209.5 267883267.3 248829287.2 55144422.6 227496960.1 208141126.6 249704721 263729137.7 268082407.3 232733998.6 234215224.2 216209393.6 259990616.7 278627021.7 254453457.5 263862595.6 264875496 251833769.4 237061523.4 306247205.5 282483175.3 245123443.4 241587532 248160492 285089680.5 266186179.2 254782945 256051262.8 245319912.8 233187277.7 228765487.1 316587434.6 251385455.6 LPE 22:6; [M+H]+ 7812881.779 4805866.851 5337668.413 4124252.918 9642885.769 4009389.047 5990620.858 4168158.536 8133633.358 3716054.719 4114337.087 2718307.498 8019949.48 6042719.976 4385509.362 3701297.017 3953035.183 5574045.926 5780500.455 6547247.523 8874938.946 4452979.985 6431417.417 5880425.798 9414322.953 2356697.567 3467966.125 6132211.13 5604405.393 3738679.024 7051789.161 4025851.562 9362165.946 4858768.078 2777858.366 3850502.532 7879572.795 3733659.571 6824337.398 6139243.195 5759878.144 4464189.472 5751275.717 4313812.942 LPC 19:1-SN1; [M+H]+ 1351963.929 1411882.225 1538687.049 734437.9758 1276711.782 1674845.293 1498127.057 706530.0089 1065074.261 3442170.447 1129989.126 834134.2476 1430856.976 1306067.186 901572.1708 723526.5884 860760.7522 1763978.232 806027.577 1250121.685 1351863.098 1020039.369 1104001.914 844648.7647 1460277.492 1181911.246 1189409.62 1079568.997 1049873.5 1719082.386 1382266.15 980268.991 952884.7726 2206874.438 646673.0999 1374735.325 1271919.981 1083368.574 977411.3987 869486.5552 1049192.093 1092432.683 1355196.952 771469.6553 Cer-NS d34:2; Cer-NS d18:1/16:1; [M+H]+ 28349.33052 66737.08166 84770.5534 94981.11218 57206.16563 53437.02867 92148.12423 87501.9193 44723.07552 70178.36279 104769.5336 84786.50542 34475.18534 111970.8999 101334.0893 57440.22439 97570.75135 96046.17674 85619.55006 79107.95943 113666.9422 85780.27135 93612.18734 102423.8892 44282.36216 39006.04115 92482.30954 73544.48262 70557.44802 84821.92197 85559.73931 62782.41648 67022.67691 115909.3392 131421.281 78501.66983 42202.44016 39810.29714 97604.46775 72534.4865 60030.22723 85127.66453 59822.42718 57392.26485 LPC 20:5-SN1; [M+H]+ 73282276.62 62388658.41 33361271.68 50921192.94 60587807.57 65066787.28 21603785.94 53751739.04 40642938.11 58154759.3 28871315.01 56978776.97 68107558.42 40809150.33 40088707.56 62874213.61 54586977.9 55742237.62 28701433.18 28828480.28 61103280.29 70487126.82 38886103.75 50152742.65 47338075.17 61641252.87 27152927.92 30764292.69 69867811.31 58850809.21 18684714.34 59438297.41 62675571.2 62932107.85 44415704.87 56373913.44 45992571.68 61491245.49 29245861.04 47803408.82 65745518.71 65305218.94 21584397.11 53977697.66 LPC 20:4; [M+H]+ 117953809.4 62989015.38 182162512.4 140045740.3 102068238.1 67066447.19 172405932.5 122064060.9 127064852.6 86925796.56 167542925.1 125887106.2 110490397.9 89513114.46 159952276.3 117751418.3 117941594.3 79111014.94 183450083.3 162092134.3 80585972.85 79654203.76 163457670.7 160434125.2 100621481.7 50198351.26 175975240.6 167635856.6 83345279.4 56501646.38 190418127.9 157060859.2 104031125.6 85588983.75 178597493.9 148123317.9 123022428.7 60774240.39 173830290.7 149807823.7 90429494.42 68146326.92 187971467.6 143315539.1 LPC 20:3; [M+H]+ 51691191.81 41354891.89 91228020.49 64165069.7 64072176.01 52220114.39 94065344.48 54604629.28 84895524.08 49765030.9 103957518.4 54640949.47 70089938.16 61642659.32 80997408.96 53900101.45 73403100.15 48917439.85 122905949.7 83582445.03 49737270.3 55371257.39 89477217.67 85258948.22 62741514.73 40676186.05 107988630.8 90534172.76 45928068.76 42447036.55 100351357 65075227.01 72719681.96 57442347.52 98170873.6 84079318.86 72274787.8 43673534.52 103777822.4 75579814.48 56679750.79 53055712.8 113160336.8 73637658.91 LPC 22:6-SN1; [M+H]+ 112415527.9 74502543.41 115303203.5 93636577.41 105646232.5 82298913.66 114623657.9 90959033.25 127172964.5 90158806.01 110379961 80325977.18 115533676.4 93781766.23 107877940.1 82515199.41 100990560.3 92168524.94 123459058.2 115329590.9 96273685.01 90580689.55 116897856.4 114605175.6 110370492.6 55327825.88 109549500.3 115082969.7 87289606.48 68999163.57 122872749.6 100449573.8 114105295.5 82476154.58 91389281.41 95674427.41 119379593.1 73718830.02 125227846.7 112782414.6 93611192.42 80152127.52 122437476.2 95963090.11 LPC 22:5; [M+H]+ 17768233.15 11406978.88 14272148.97 13407820.95 11420296.82 6412682.918 20051035.13 8674795.728 21445234.44 8272742.61 19987823.44 9961582.504 20943750.95 8675089.735 18390372.36 11165452.99 17527066.56 16512324.15 17136062.27 19829258.85 17457052.67 15009362.2 12898749.24 12546365.51 20331410.55 3724760.013 21210223.63 12016273.22 12868497.35 4846583.302 22127295.04 14242059.4 22503977.03 7280954.211 9444684.958 14105173.19 20140373 11098194.66 21462751.82 17213453.29 15483383.82 12947893.76 15756568.65 14010394.6 Cer-NS d40:1; Cer-NS d18:1/22:0; [M+H]+ 376976.5591 262967.3051 614419.3544 399985.6494 456961.999 213136.3065 692847.2208 326869.3734 387177.7581 82005.22471 904168.9289 386676.2425 259090.1202 257350.2069 707700.8116 353145.219 220705.4894 280746.3329 829466.8302 635423.9235 588933.258 221799.8392 993312.5132 564803.3226 259714.7611 160183.2347 613404.2809 484413.1802 422985.5018 195188.8749 646604.028 400275.4673 311882.8167 265256.9336 314153.9225 403767.9237 280469.9839 214744.7293 834858.5249 317038.9731 331637.8496 238518.6432 672289.6307 290436.6566 DAG 36:2; DAG 18:1-18:1; [M+NH4]+ 201373.9237 295858.8697 294674.7985 289807.4743 325391.2418 219971.5463 292794.8192 178273.2726 285615.618 180423.7156 91421.31932 245783.2169 254678.208 100748.6505 95301.88887 197140.6911 114769.6042 296101.8301 180729.8716 500649.4665 364998.8997 119313.452 101025.1253 301926.4328 302633.1746 192451.2161 135413.0836 250119.615 489412.4564 549897.8098 204433.2306 302649.4258 359388.9687 102628.5085 87907.1079 294785.3078 209981.3145 246666.0621 286404.0064 157606.4004 431868.7482 153623.4609 256191.5261 263943.9979 Cer-NS d42:2; Cer-NS d18:1/24:1; [M+H]+ 624412.6218 727810.2755 835030.7688 750987.0776 741550.306 595422.6372 1529193.018 605052.4713 526527.475 365562.4966 1043931.329 530159.177 376382.2018 568077.0866 868603.2953 518967.0266 469698.9311 827500.3369 1004516.417 1278332.684 659110.8047 600855.4854 1004442.187 1042292.616 382180.3562 368197.8713 1111110.613 1213907.985 495093.8606 472358.6186 1502289.412 774429.9328 564803.3679 830847.4353 677673.3097 766847.3353 510352.464 534604.9634 906826.1027 509377.4682 497213.9474 658303.8894 1203145.525 537852.6334 Cer-NDS d42:1; Cer-NDS d18:0/24:1; [M+H]+ 164216.3607 168291.2671 43592.24969 192498.9054 189396.5402 138337.5633 164152.942 166282.7538 129616.1769 80545.05033 282167.679 143663.3186 100523.3867 154415.6203 99207.79789 120154.0564 114633.5873 191453.8673 217153.1923 363348.6981 179985.1672 129929.1543 259502.4908 273736.4957 107668.6069 83102.46889 282934.0921 57085.85988 105540.0455 93030.34258 160717.6335 204641.4092 131168.5919 175704.8764 61531.4029 218845.5097 121676.8338 131975.2081 227510.9052 136645.296 146578.7377 156712.9046 311361.334 140904.5449 Cer-NS d42:1; Cer-NS d18:1/24:0; [M+H]+ 583096.9039 976192.8621 528849.4576 619290.2375 650889.8843 624818.5704 746628.9099 650847.9779 442221.7977 528634.2449 708862.118 487688.8271 293436.5654 711646.393 476894.4158 664096.2686 271465.2782 1316696.865 668490.8882 1111600.172 968249.1505 719268.4311 608706.4072 793074.6216 437956.9887 662771.7537 669667.5618 823400.4024 783497.4744 732453.0813 834735.8115 704847.5735 458132.9201 1091280.547 447838.8487 695220.5256 436245.9683 718254.3611 678037.8341 426872.4059 507609.4329 796918.67 697023.5346 465543.113 CE 20:5; [M+NH4]+ 44556.34571 89814.51591 97942.90049 88377.6214 87106.56916 10103.10959 158330.1529 103344.1782 72847.6279 2907.911083 203082.2403 106472.9011 72629.95826 103311.1344 161073.4962 91015.2359 84970.52799 34933.50459 151835.5557 61553.85343 54476.30968 172083.9774 151610.3355 96534.107 65040.76915 82760.40743 278862.2464 163592.7624 43257.45232 15968.65273 152162.1338 66440.67348 64390.38157 14445.77521 185055.7015 109539.8633 80132.48991 89296.26922 88353.18348 187625.7399 57490.67294 140774.3933 151690.1874 136159.8668 SM d34:1; SM d18:1/16:0; [M+H]+ 26656861.5 36640509.17 34453354.99 43161355.9 43721658.34 31968560.57 44611427.1 44892075.29 35440426.97 30182059.78 58200072.78 34360604.01 31971114.86 46889870.61 51205533.66 35894438.88 46749697.87 36296639.97 38667355.48 56805664.02 39730709.69 37000003.5 56598426.21 20729838.78 32923506.71 33512658.56 48711917.01 62738903.1 33617071.05 32839535.75 43881927.91 36391787.7 35010286.21 47829172.86 49043627.1 49292452.78 34468148.98 32069150.33 43740414.87 45178058.68 31694538.53 45626739.36 39070975.8 41307608.17 PC 30:0; [M+H]+ 673436.8075 1025271.714 501528.7935 614831.9351 830551.7694 758087.8013 727415.0324 692033.7061 528527.4633 839200.448 544870.3031 626127.5858 473149.6656 837868.5106 639089.1995 871903.4617 878767.0515 905767.2564 493084.9623 656221.7703 694756.4134 964813.5962 515209.6933 653883.2282 473014.378 696374.5974 442681.7489 521330.8093 532848.9336 725251.3587 408596.8453 583803.2189 733510.6374 974629.4826 781012.879 625618.757 518158.0621 681801.9354 507114.8824 507101.9507 611609.3961 1007663.852 398986.0063 531779.5221 PE 34:3; [M+H]+ 165612.5205 204889.8675 57911.12384 70208.95496 90316.61561 149725.8337 159334.6001 64056.28101 87105.96856 130355.2827 163063.1288 81942.33367 103580.5048 50117.91602 76658.97671 116916.9014 44550.90991 70782.63844 152894.8983 124530.2105 44616.98496 45715.46859 112064.3894 118160.7476 122035.9346 279057.6429 104345.9523 109458.4319 152071.3083 98375.06789 159634.1139 60655.68175 69543.5601 37760.36112 112916.6989 112728.5268 77404.45204 339470.1637 131292.4259 117549.4531 110027.9111 44913.43984 165677.3108 81532.08587 CE 22:6; [M+NH4]+ 292016.0254 275209.6313 770287.416 609181.1808 433354.5386 80127.46403 809310.4822 671226.8813 420866.481 90571.16604 1467585.287 632139.0973 370390.3131 824501.9888 1447969.042 526138.3909 612013.0313 291276.8939 1004359.832 399159.32 341039.8932 754020.535 1197683.349 802593.4458 311573.7947 419805.2641 1833820.193 984900.7214 252249.2306 243316.4785 1138146.989 440608.955 292944.0856 146552.854 1251101.647 650006.4093 460229.0225 326149.1404 694760.8622 1192487.724 263264.3295 483979.8855 1181341.903 749896.4043 PE 34:2; [M+H]+ 957839.6798 958005.1898 177860.674 296635.4127 664503.3502 506370.7384 114187.0145 279593.9556 222652.2075 475681.2173 96530.99082 231261.5032 386048.2724 364034.5248 135770.668 267610.606 470822.25 509824.4535 123663.5218 266504.6911 563093.3951 561194.5637 128312.1649 242829.3906 450663.3284 988467.831 75561.26757 151480.3022 949304.8333 851550.8154 101444.4731 124011.0068 378502.0991 462314.8109 136676.2785 250876.6584 265926.7373 909557.9245 140631.7121 130850.7659 767678.3383 714220.7587 137354.2086 284551.2527 SM d35:1; [M+H]+ 108155.2904 38342.61912 71043.54558 110089.1722 117147.8479 88612.42486 135143.5562 138877.0995 117164.4841 218192.383 134489.3597 104644.2267 103672.2606 118169.3432 133507.457 66267.56244 121496.8137 146428.0279 118557.5265 136642.6743 123415.4363 123950.9284 129528.1888 133919.9541 99949.77609 91068.54437 195170.3084 147478.2199 91027.62869 144984.384 117270.0334 153936.7537 104443.0969 147215.4279 184848.1492 115537.2752 146297.442 76517.72811 146273.7302 208675.807 67504.97835 115293.3322 176669.8438 147281.8476 PC 31:0; [M+H]+ 708853.1774 608279.4503 350032.8062 364380.1874 586071.943 596106.6859 306501.9901 450993.5224 340904.8734 1428280.248 316120.7954 364462.8545 443255.3474 624942.4751 396301.6937 428105.8663 580267.3528 1107549.944 284736.0901 345661.2871 268019.8159 705552.2696 364135.2362 397793.141 516766.5278 746783.4602 303881.6828 311356.2657 522229.326 1165361.194 331605.8386 388487.8021 495448.2341 969592.5572 392934.3015 338237.6455 528345.1304 624626.4588 322877.9531 366357.28 535866.7049 651542.8485 323283.4872 327022.4608 PE 36:4e; PE 18:2e/18:2; [M+H]+ 458053.2574 456713.5616 333730.1058 340143.3935 431656.2958 493018.1995 233909.607 290067.5099 590753.9498 515016.2618 440150.6769 291791.804 431906.6731 569992.3876 439965.1194 353118.498 553487.6521 327527.1798 285753.9954 237929.2924 552928.7658 432225.7364 434683.046 334257.5901 387404.4837 370883.1584 282472.3445 222580.2915 515346.8201 348920.3636 299920.322 264806.8432 401959.1314 495707.5542 401618.3128 267926.5573 423311.8327 375540.738 350174.7159 292471.379 398615.6922 468034.2842 294513.8523 289103.4518 SM d36:2; [M+H]+ 491965.7102 543578.0368 898382.9127 880474.5255 903360.9862 426895.2999 1114291.847 745604.4221 897803.1158 477773.8465 1224527.745 873737.4144 769184.6694 831824.9965 1085603.171 868103.6528 744718.0656 498602.048 1079709.367 1072323.288 851967.0709 475111.4946 1311380.316 929170.0102 712071.0725 432281.5477 1116304.12 1159854.395 515982.8169 454319.8214 1158200.647 788666.3177 925892.6552 596480.9563 1245379.171 1333698.105 804797.6969 374071.7037 1150774.712 1338813.249 745295.3419 596293.6722 943535.9502 1084912.131 PC 32:2; PC 16:1-16:1; [M+H]+ 21242284.16 26811950.52 10874556.63 17891186.13 20285698.12 22615525.92 17941457.34 19050413.23 9827296.591 22158331.16 12175836.39 15818746.95 9439045.625 19206601.27 11214050.4 20695486.39 14220115.92 24721656.72 12789257.18 19710791.42 16409135.79 25945964.97 11075607.73 19564297.03 9951998.367 12195442.33 13064623.73 17375449.71 9163425.226 7795217.7 11527076.14 11964263.02 8962877 20383536.77 15552995.15 16616736.23 11237535.58 15096653.26 5862372.052 15577551.14 14951175.34 24000883.42 10723845.54 13484332.23 SM d36:1; [M+H]+ 1622933.6 1215373.805 2490700.465 2195375.099 2347661.566 1183131.644 3478729.076 2205626.245 1544732.668 1502066.471 3804842.262 1994235.266 1478003.209 1878989.303 3281413.917 1960204.592 1925769.091 1647951.391 2741131.166 3396089.651 2181607.258 1324363.186 4059404.281 2726489.224 1399696.668 1183576.827 3899300.891 4307058.996 1442914.795 1280913.585 4564690.093 1877009.6 1756905.131 1694755.445 3636627.08 2682841.891 1779890.727 1109967.427 3098517.348 3217929.529 1460472.419 1394342.141 2813047.479 2256989.797 PC 32:1; PC 16:0-16:1; [M+H]+ 16703537.83 32611455.27 7388236.445 11310536.61 17455329.51 28068619.51 12720681.1 12537288.88 10991485.82 13738221.65 7474122.434 10245650.3 10803440.73 17483898.24 7436326.066 13928514.25 13009297.97 23921798.02 8575056.041 12790554.58 13581793.35 28892447.66 6542588.596 11859723.56 12333028.09 20972624.22 9308568.697 12731221.24 11364673.66 15307259.78 7823610.199 12691691.09 15274151.54 22697234.72 11267219.17 13587129.82 11711223.85 27136707.73 6813510.347 10263751.56 14975657.73 30716702.45 8203135.439 12202331.02 PC 33:1e; [M+H]+ 994697.9508 762253.5039 1045528.989 600413.7049 960824.3881 416811.7716 589900.4443 630649.2353 421788.153 737769.2339 1062385.113 532471.1266 931503.1093 907346.3156 1257032.243 660911.2879 759958.5797 303950.8079 829830.681 800370.5644 1196649.125 595384.6467 1291173.293 644300.1098 1092087.745 290121.4176 700309.578 522678.527 581857.1008 424410.9115 430609.8446 509792.9654 902217.8845 685792.1178 640836.97 490057.3988 829379.2964 756803.4095 960823.9122 539351.3881 919326.642 717658.0064 855512.7523 479588.7599 PC 32:0; PC 16:0-16:0; [M+H]+ 23028882.3 19577303.73 21645987.65 23318088.53 28275365.32 19772655.4 28889680.21 25398739.98 19388826.07 26329800.55 24221510.77 21607588.66 19641627.28 26041856.76 27987541.16 10757946.12 26804230.39 25786570.42 20243587.33 29795565.23 21891070.38 22090268.36 27442476.33 28642189.4 18452063.93 19943406.02 26986849.08 30720882.71 19159983.05 21010186.44 25349939.01 22667993.84 21599698.13 26561664.28 31826872.09 25630251.5 23235008.66 19503188.73 22690417 22937597.97 20986525.32 24178795.17 23787036.31 20232664.01 PE 36:3; [M+H]+ 799893.9837 770196.4778 367906.3895 448428.0162 871373.8721 670631.4498 208984.6313 443619.604 227305.5359 653079.7231 121498.1821 327906.0702 431750.7362 434995.6392 126767.2787 447730.8648 705206.0362 621062.8645 140502.4225 427372.9579 577296.1336 620747.3366 142618.6304 383793.6872 410078.7725 666866.2723 141036.9041 43740.17008 716414.7789 969202.3808 79214.70811 307688.5336 402112 582588.8278 163364.9194 394190.408 385505.9182 755156.6849 257062.9893 273389.0641 898054.5259 687113.0998 245661.845 381114.782 PC 33:2; [M+H]+ 8488696.3 7893402.934 2237828.835 2971723.29 6891659.782 8326558.84 2130851.514 4132409.458 3102538.449 45533991.83 2350732.283 4213790.137 4734827.738 11591371.4 2343187.138 5270133.54 5671576.557 21160657.3 2001999.159 2882055.834 7428195.787 11727320.99 2372127.12 2706316.794 5341841.221 14653035.23 1938560.54 1907044.88 6274155.696 37840302.36 1576749.968 2627879.191 5384211.44 18411603.74 2426210.482 2548695.888 4930542.707 6993421.997 2514646.923 2501789.207 5378985.893 10697896.21 1647619.685 1165161.825 PC 33:1; PC 15:0-18:1; [M+H]+ 10087206.36 11782379.08 4842433.469 6340481.345 8707312.739 11849257.91 6647975.072 8013149.933 4886854.923 27253238.99 5180169.05 5973159.381 6330891.655 10919835.54 5270199.201 8459051.352 6591741.711 22352644.29 4914394.479 7116660.566 8695562.478 13690279.83 5369558.545 7061542.207 9028936.88 15400943.44 5915291.992 6887970.676 7593232.485 25286050.32 5274639.834 7147040.263 6784615.801 18458286.75 5530658.585 6499501.332 6548265.472 12630926.6 4852485.904 6431414.697 6801582.773 12485196.62 5045683.202 6213440.561 PC 33:1(d7); PC 15:0-18:1(d7); [M+H]+ 14000844.29 18644459.13 10941816.98 20465563.9 21693370.23 20189566.74 7891420.877 20153290.5 17436076.2 18992003.7 12196585.73 15574510.23 17730063.44 24445247.51 15271866.49 16206116.25 25644007.04 26724100.74 12861798.24 13359996.98 23137063.22 26048546.91 17179382.25 14495863.03 15729758.41 15196088.17 11367199.46 15124340.04 15000675.87 23416490.41 10589277.26 21175464.17 18715916.76 27579736.94 16791871.98 14464719.8 21632202.35 17881086.5 13050967.47 16349515.71 14778063.79 23263478.43 13019261.55 16533417.72 PC 35:4e; [M+H]+ 1066760.175 31228.14979 3140486.024 1934474.937 1440153.696 NA 2168744.113 1784966.705 1174311.41 NA 3281717.985 775336.3632 1156200.169 1350895.041 3979161.1 1608808.016 1557333.137 NA 2600029.726 2502782.651 1328614.588 NA 3990485.789 2225707.238 1098321.574 NA 2593814.641 2112838.555 1008159.553 NA 3159184.98 1557310.568 1295660.694 22711.68272 2586099.225 1774914.449 14489.02158 16733.35094 3164584.942 1606108.22 1016258.833 NA 3029350.842 1432184.266 PC 34:3; PC 16:1-18:2; [M+H]+ 114577048.2 113996629.8 60366739.6 90263073.93 120864988.6 114558639.1 84249958.63 100879181.6 60029567.25 104341039.5 80045978.62 84031031.83 71610274.34 115053833.3 80575203.65 93345957.25 93099479.6 111110075.6 71615368.38 98850160.08 96061433.77 123366262.3 82095617.39 88624085.83 73335965.98 93529610.68 76896278.5 93027848.17 71911822.24 93725338.89 67021028.14 67363568.79 99025279.79 119871300.9 81214506.72 82972520.94 84253161.58 91265519.31 72016794.03 84808037.81 88864155.7 137484514.7 61364403.31 73861884.87 PC 34:3; PC 16:0-18:3; [M+H]+ 5282285.184 5291169.455 2163516.532 2589181.945 3674925.488 5730951.856 2381018.981 3904204.518 3202412.791 6318296.555 2286850.293 3719826.822 3934089.266 5595792.136 2583563.55 4126337.944 4561271.206 6231280.77 2286893.264 2931095.37 3854398.649 6609203.953 1944573.704 2906554.921 3783189.786 5512764.917 1926189.743 2782824.753 3034870.704 6219054.988 1906541.232 3128828.585 4559772.706 6398299.844 2809206.384 3165794.739 4606478.6 5031923.999 2403267.872 2862906.814 4408560.818 5719195.981 2151450.32 3371727.547 PC 34:2; PC 16:0-18:2; [M+H]+ 388876532 368606990.6 330691095.8 325961406.3 352720899.2 364923797.4 313893207.2 327695059.9 357676675.8 384232159.4 311668120.9 356142311.4 375902063.2 363474483.1 316239177.9 358350780.6 336433733.6 355966797 314128858.7 320518337.8 364232020.4 355592248 313324407.5 327430982.3 379794334.6 399697389.1 306731484.1 299943686.1 394241523.6 360568988.1 304907976.9 353507044.4 351988180.8 334659329.4 318600320.6 339248437.3 361347882.1 384896751.6 328951107.3 182461496.9 370490920.6 350933948.6 320260996.1 333540379.7 PE 38:6; [M+H]+ 2721357.689 2930677.268 1433730.6 2288387.394 4760160.17 2993322.407 749241.7076 2691835.916 2029116.618 1211179.403 662861.6566 1405420.978 2313245.771 1967759.427 1070365.477 2130730.667 2948645.423 2320849.191 892838.4762 1095283.052 3648811.593 3131536.357 1311962.225 1177160.526 2563693.917 1183507.184 701588.9559 1188098.382 3021150.942 2313685.642 659224.0397 1238851.595 2947333.746 2965432.665 890185.412 1593053.682 2443961.469 2031660.581 851532.1958 2345298.735 2188765.092 3669811.945 1119755.89 2461282.688 PC 36:5e; [M+H]+ 2644054.031 84408.76115 2708837.004 3325401.396 2737643.374 162593.621 2293586.997 2570181.65 2350814.689 NA 3866501.697 1434943.797 2567310.216 1333684.065 3422892.793 2561240.644 1432419.695 NA 2885845.755 4421510.423 2660479.932 NA 3508519.511 3662272.916 2191014.221 NA 2750498.799 5308297.158 2074154.523 NA 2937245.17 2344895.854 2310879.315 NA 3942498.297 3463315.294 1394654.819 NA 2917058.627 4769630.69 2345017.207 NA 2950490.088 3227592.643 PC 35:4; [M+H]+ 4415965.173 2820512.204 2851083.973 3919656.427 3380431.09 3004730.557 3222160.768 4518447.952 1696815.748 9561226.055 1824439.815 3680115.386 2004348.749 3954793.086 4135733.347 4073142.067 3423500.71 6902087.881 3076687.477 3727134.596 3000567.428 4670076.15 4410894.735 3978194.465 2270386.051 3027990.229 1712067.384 3806935.994 2275451.671 8303057.147 3239506.573 2615802.053 2771280.052 6613855.715 4038466.474 2613198.744 2708234.949 2056660.881 3463739.383 3414311.916 2624074.138 3536487.194 2639209.653 2680590.402 PC 36:4e; [M+H]+ 5469394.136 4777231.382 5381368.508 7979771.93 6096818.97 4734019.33 4780454.453 5916807.595 6378113.91 4792185.791 7614234.552 7677123.557 6152053.582 5806581.858 7492854.465 8160580.929 6870892.055 4768697.587 5529144.975 6344391.767 7144465.001 4859804.351 8623194.453 6550815.022 5697486.843 3877609.975 6092473.23 7413886.131 7262124.753 1408353.878 5424590.476 6052131.82 5687812.459 4969442.703 8823170.815 6380077.764 6204202.294 4411662.468 5956927.77 6885807.17 6552276.432 4852682.859 7215456.146 7718102.553 PC 35:2; PC 17:0-18:2; [M+H]+ 18429289.67 24226320.84 18040608.24 19996537.46 33354904.95 26521534.32 16905113.68 25983808.99 22472096.78 68303881.96 20169620.09 22593194.25 27994981.56 35642567.53 20171972.35 27573721.08 33197333.57 44134700.16 18682692.65 20281617.38 37568602.07 36056833.53 20136268.24 20113707.56 27927144.52 34294960.22 16896231.54 14506027.75 33580743.89 59184147.1 15092668.81 19153476.36 26263077.12 43117893.81 18611515.3 17933726.58 25815046.23 24064451.55 23750725.13 19477970.02 24416636.56 30704955.18 15690143.78 17795970.46 PE 40:6e; [M+H]+ 2660560.362 1776454.435 2731988.012 2213081.18 2654188.478 1737939.527 2156387.486 1867442.78 2389716.154 3200928.065 2758220.898 2508898.621 2407987.833 2113432.318 3172727.463 2821793.793 1900849.707 1543845.404 2110125.23 2432126.308 2306255.801 1152711.385 3541446.422 2259743.479 2404743.691 2276190.732 2140065.004 2080418.511 2246009.824 1259553.438 2858007.558 1617828.356 1680320.925 1981249.462 2024596.755 1828363.583 2458911.149 2442097.241 2999950.427 1873686.338 2405515.902 1326585.542 2800724.152 2265567.897 PC 36:5; PC 16:1-20:4; [M+H]+ 143863833.5 134695671.1 106499731.3 120937651 130570864.3 133415883.1 125931483.6 120779359 121233750.8 98766051.8 109403919.6 116642106.3 127611124.5 116536598 103041839.1 127453760.2 102103916.9 112293361.6 112952181.1 127282599.7 133682950 124549006.2 108848071.3 123286426.7 136775290.8 115198800.4 113561616.6 128691842.6 141008933.9 82578563.29 112543844.6 107889280.6 54764506.03 94865066.33 114143064.7 116365843.2 124725593.2 128936591.1 108782152.4 117440590.9 143059448.2 113212426.8 104416817.5 115716533.6 PC 36:4; PC 18:2-18:2; [M+H]+ 95362034.82 99020501.97 71836749.94 88995553.13 94510193.48 100562910.9 91752660.97 109484030 84770042.27 108291947.6 105441488.2 83078632.46 89076116.15 102174867 106085843.7 99721131.37 98924601.22 102359191.5 102024695.4 110421179.1 110922435.8 92170195.28 96762266.09 98939157.88 96865251.81 94954806.06 90348122.28 94054429.27 86586410.54 96471945.68 65233376.8 44570352.84 100103451.8 75776721.39 94909079.29 102825866.4 79653299.25 94396660.75 101437569.4 66071599.55 98727461.53 95014961.1 83139272.5 66876010.38 PC 36:3; PC 16:0-20:3; [M+H]+ 240045819.4 233614898.4 209232387.4 274636326.4 246257318.9 244172919.2 229638334.5 266109309.4 243605556.6 268558042.3 241226061.8 240074687.3 251371978.9 264359056.5 220677671.4 246778499.7 277137951.5 243194756.1 220953099.4 233108971.1 225280463.5 283752848.3 217522693.1 270473665.4 238227890.5 250470494.5 273859622 224092047.1 238448012.4 260144063 210466715.9 224171880.1 256249039.9 256225547.5 238345293.9 235154862.8 257823404.5 247177439.4 217041729.3 245010188.1 243564252.6 241970256.9 211726788.2 272156048 PC 36:2; PC 18:0-18:2; [M+H]+ 513010438.3 430291070.7 539338272.7 436649286.5 420522581.6 417495341.5 482373920.5 414483097.8 512630499.8 421981522.5 457265298.6 469735259.9 508071750.4 395035367.4 435563718.4 503924020.9 396103526.9 367453093 497528006.2 469613391.6 458533458.3 368303736 433900351.7 479037590.1 525814943.8 382705685.4 446849432.4 421648660.8 534454172.2 353424371.1 487358336.7 549009077.7 443531400.5 331941048.5 459977350 505560398.1 469201922.2 439649444.8 509558732.8 450165866 479117909.7 358809717.1 506850100.8 483176995.2 PE 40:7; PE 18:1-22:6; [M+H]+ 1170869.009 1247106.276 221459.4588 724781.3997 1158713.858 1312541.802 160551.8111 819671.9857 376174.9384 2014787.683 112056.3361 345299.1486 876345.4683 494488.3636 173132.2097 661919.7332 664426.6452 846664.6361 140263.8268 189652.6559 647176.026 1266092.485 220634.6275 206509.7745 773099.2652 1053486.486 196831.9927 227924.4111 827761.4891 2146944.97 112472.8053 398515.9398 627991.0775 1787653.615 387525.8404 633800.8707 983281.8696 1324018.376 147825.0034 502145.9063 1323120.259 1132789.506 218685.4421 801199.2083 PC 37:6; PC 15:0-22:6; [M+H]+ 8221175.452 3062502.842 4786264.861 6315912.327 7546487.117 6830864.636 4620322.277 7867614.013 4328320.84 30251813.46 4893754.162 5851278.512 5435447.281 11095527.51 5531301.811 7408232.891 6281338.68 22795073.48 4592021.17 5474886.282 7469411.667 10187862.92 6349590.801 6530560.703 5341696.043 8639703.007 4560185.981 5076957.377 5048275.354 31971158.35 4511258.578 4263345.768 3234061.527 19081426.89 3775935.066 4236485.485 6687610.217 4846667.309 6095818.222 7427775.695 5628317.564 6571071.322 4607818.883 4594543.441 PC 38:6e; [M+H]+ 3648206.919 3516858.863 3408334.657 4641037.694 4609308.012 3685964.297 2718262.365 3887665.472 4488556.91 3200874.156 4234650.959 3661471.284 3939355.281 4423242.038 4265430.967 3992999.405 5123878.873 3271077.041 3023457.246 3161445.391 4906824.614 3698589.279 4439280.69 3779923.632 3595272.061 2935879.464 3383069.377 3786820.946 4339242.618 3186614.613 3005536.735 3078270.385 4014719.491 3885950.751 4292992.627 3485489.654 4140036.7 3324060.362 3460691.531 4323344.035 4009762.174 3920552.5 3432329.236 3628824.621 TAG 46:2; TAG 14:0-16:1-16:1; [M+NH4]+ 582749.9328 1538827.667 1574750.931 1448359.982 478149.2781 68588.25969 1482011.127 586671.5221 718501.7777 67173.83799 265660.1963 1081347.963 590822.1844 114201.1829 336921.0106 903948.7706 371600.5059 719288.7466 515703.523 4139799.184 691958.9909 305531.5477 334634.6612 959525.9135 818532.6566 421732.0565 173960.7137 1062963.434 766570.1744 611073.3706 678943.8695 1669851.022 935891.4634 82946.59034 334626.1714 1682117.339 392902.1857 940749.854 2571910.556 204764.665 620997.0839 894078.9008 519675.0241 829302.7587 PC 38:5e; [M+H]+ 5162963.681 3759167.581 5159819.835 6487913.104 5330258.916 3509001.924 4455248.032 5487418.266 5881608.036 5379934.152 5893830.58 5820511.086 6197096.858 4833696.724 6402337.893 6419715.358 6927805.712 3844853.51 5089187.26 5107284.701 6905732.318 4207683.719 8199379.938 5498232.281 5826870.827 3800703.339 6105191.599 5583231.266 6690786.982 NA 4815279.436 4805575.058 5964921.313 4165529.764 8106524.885 6398444.082 6413523.287 3630540.417 5695515.879 6423945.451 5873071.935 4045664.991 5698626.392 5837070.178 PC 37:4; PC 17:0-20:4; [M+H]+ 7675385.118 2514479.382 12740218.4 9243038.539 5023471.051 2626615.694 9810802.758 5668781.56 4569726.584 7886527.736 13153275.76 8302107.062 4524953.467 4175606.696 14038119.37 8133328.708 6245576.139 5581089.781 12533944.89 9865205.001 3696223.456 4608228.597 14908948.13 9752811.514 3824226.65 81844.09084 12426402.58 10166088.08 3616098.868 7297648.004 14258695.47 8177781.601 4137700.883 5961946.965 11672881.79 6593396.298 5865971.619 1363991.008 14176940.5 6063032.821 3673325.999 1620335.988 11487805.76 8282227.02 PC 37:3; [M+H]+ 4433041.539 2909399.517 4692259.647 4124130.555 4222008.258 3582189.7 4432859.174 4758562.091 3658194.418 7522834.187 2429724.515 4059895.403 4235210.062 4885039.625 5027546.461 4477296.506 4673879.163 5590219.421 5230445.181 4333846.928 3919600.496 5133686.194 5263490.525 4541514.464 3669410.397 4275939.829 5084129.224 3966481.482 3620676.8 8748268.55 4119888.034 3428755.976 3879760.933 7044403.697 2644632.77 3404231.768 4288784.381 3203309.718 5740600.414 5335041.976 3325930.829 3899620.622 4719059.169 3876786.736 PC 38:8; [M+H]+ 8795939.157 16590562.29 2946161.137 8145001.659 9786843.396 15591717.31 3845365.266 8148112.214 8954289.401 15624474.91 3938379.835 10711965.51 10531489.77 6849079.158 5026956.695 8441432.475 10364235.31 16702963.99 3531701.397 6114570.88 10642229.03 18698465.38 5011896.833 4502418.626 12310625.77 18199883.87 4751687.497 5744640.666 13578202.39 15682604.73 3058597.567 8557871.053 10312569.37 13961999.16 7553013.023 6901378.95 10196843.31 15549735.71 1612103.979 3959046.827 13734706.08 16094729.39 2824669.198 10031838.96 PC 38:7; PC 16:1-22:6; [M+H]+ 87918173.79 76728868.16 92687007.61 67082488.76 59896461.63 37914166.53 85140870.85 58813916.11 96214428.01 63957269.17 72693135.7 74772876.65 98786246.19 47733877.65 70229708.58 80230092.09 40047906.99 51896669.47 81875311.9 82652465.74 45444923.71 52065275.87 78413494.18 82448390.93 96635788.33 68930431.81 78880976.96 82892356.64 78170430.94 24294262.95 88686245.08 99226510.35 68117325.67 43696702.48 59274461.08 90734243.09 92153986.82 89204578.83 84938986.73 90066411.29 81752585.75 43582838.91 95132750.94 94402552.96 PC 38:6; PC 16:0-22:6; [M+H]+ 26506998.87 25939852.55 25386728.46 34038672.72 29770893.93 28113340.28 25719984.16 35211629.97 31877571.47 28351736.59 29598521.22 32073421.55 31829212.44 30195302.52 35594813.16 29289969.9 34942292.88 31815821.7 29771110.34 29631594.62 24868225.64 32170060.04 34543512.76 31812075.16 28465663.26 28485200.33 32083680.03 33392524.63 25003823.45 32668796.41 25808810.23 28549961.84 31166408.29 33199850.63 28306346.33 27123888.84 33223066.25 27783811.61 30658789.1 36686174.19 30068446.9 28584224.49 27248670.2 32473345.78 PC 38:4; PC 18:0-20:4; [M+H]+ 144814778.4 35963837.49 314721386.2 257920605.6 141562492.6 38212882.89 294049267 217473418.2 84363849.93 NA 289593355.9 113876359.9 140685494.1 68041766.56 301323797.9 190320182.8 134513789.2 38186065 185338860.2 259901911.8 104294459.4 58957397.03 301620187.7 260481564.6 115064047.7 NA 312399461.8 299751684.9 100328990.6 28460935.31 336758469.6 216810665.8 140732997.7 49462344.33 283304495.8 119236538.6 163771881.7 47278040.12 293687671 280012657.9 128637126.9 35370489.16 316327362.4 247613209.8 PC 40:7e; [M+H]+ 2413633.179 2193445.714 1996537.24 2864190.156 2552263.5 2078828.979 1711204.324 2495389.487 2829222.985 2219821.823 2279874.41 2511516.342 2876384.101 2332588.873 2428401.915 2571781.92 2783053.119 2186453.094 1787758.592 2353154.829 3097685.321 2323994.676 2798389.349 2294953.999 2778654.909 1965615.669 2338921.115 2304106.958 3147995.578 1532173.968 2207182.844 2010363.175 2514140.016 2067613.042 2952606.959 2279191.796 3089193.126 2188918.522 2522387.076 2469077.029 2746976.649 2103068.805 2372718.945 2236598.5 PC 38:0; PC 19:0-19:0; [M+H]+ 131010.4802 107526.1171 129059.0808 89613.74959 128264.7013 101731.5887 147108.2721 72963.63187 167606.5658 93432.27071 155938.8478 110415.5489 128338.2698 100126.2915 112924.3182 119691.0991 65372.50288 51089.69516 137281.872 128036.7707 178257.4695 57143.88045 157331.9258 123882.2571 138682.5197 70449.17225 131824.0051 126175.6907 130517.0729 29705.34683 148577.3715 117894.633 128295.6535 46905.1608 115163.9624 143077.328 134685.3623 77742.99374 139033.9595 151080.6045 136731.4386 65375.92767 137702.7304 123489.9307 TAG 48:3; TAG 16:1-16:1-16:1; [M+NH4]+ 3225605.461 8747863.652 3643568.938 3878660.066 2381799.551 305265.4022 3922083.364 2230173.312 4432614.72 108412.26 818946.2908 3054858.918 4119955.827 431918.9006 947070.4576 3154338.641 1954977.505 4254968.118 1553340.142 9330616.382 4010874.361 1795282.869 1043935.658 2356408.208 5123888.835 1987935.606 572623.6639 2886798.66 3828077.201 2880472.494 1733427.288 4787310.745 5347450.037 310594.4726 944352.2638 4361245.179 2433603.364 5464203.461 5470101.525 1087660.647 3139474.606 5243548.411 1454765.913 2611396.595 PC 39:6; [M+H]+ 3529530.097 2079084.568 2059648.008 3550516.492 2136478.951 2565795.877 2693793.654 4569649.327 3395338.051 6550557.33 3658972.463 3427002.497 3560189.938 3485339.061 4880398.916 4017104.527 3055891.171 3832495.602 3658407.93 3017450.886 2631403.353 1946651.231 5019797.962 3208488.892 3552904.13 1931990.712 3403948.614 2850628.491 2511658.341 6697673.725 3209431.481 3180667.043 3026377.406 2377491.377 2346265.178 2387795.481 3670250.81 1079866.329 4562033.805 4864453.813 2418132.013 2395985.43 3195312.652 3388865.145 TAG 48:2; TAG 14:0-16:1-18:1; [M+NH4]+ 4662456.31 26693620.19 10262297.68 13125396.04 7268143.494 668286.3365 12010579.39 7860408.503 10034251.46 421583.7847 3688306.611 10649769.4 7882769.052 2135206.404 4444541.826 9286742.709 7493154.355 14875811.15 5570700.198 18040045.04 10184457.18 7064753.731 3854155.397 4590943.256 8735085.473 9387339.289 3378394.467 10274220.43 10384612.15 6787086.576 6162834.725 6574184.074 11485297.47 878823.7431 4426859.299 13583217.05 5406750.433 19761561.94 12098806.49 4778567.481 8116812.093 20257622.5 5794447.599 4684594.458 TAG 48:1; TAG 14:0-16:0-18:1; [M+NH4]+ 3075717.78 11826592.67 9517635.426 9615775.799 3866441.662 327224.4776 9622102.077 6471258.278 5727154.294 329904.4426 3967949.651 9217528.867 4123818.572 1717357.812 4761781.882 7253235.606 4436153.246 7448191.731 5741326.982 14972624.22 5976310.345 3648527.506 4514823.302 7759914.416 4728755.375 6231223.7 3656021.147 9189454.132 6025939.125 4861390.433 5834615.831 10242394.14 5752029.031 597057.7701 4291763.659 11267076.7 3274954.754 8236408.485 10522848.58 3672136.865 4128587.773 7843230.559 5399742.559 7823685.8 TAG 48:3; TAG 14:0-16:1-18:2; [M+Na]+ 1343672.119 5694220.395 2462458.525 2873594.926 2109458.533 638977.1435 2631120.73 1562590.545 2109065.425 44390.05624 629469.0216 2394486.168 1947525.579 698432.2401 790368.3852 2060710.771 1412000.268 3115067.462 1010135.208 4849417.285 2033480.488 1503407.347 636934.6503 2342969.143 2137943.846 1622258.116 599571.0044 2181382.413 1991721.809 1531476.34 1316596.129 3170801.371 2651453.06 625905.6288 873589.8319 3356084.822 607865.2536 4044273.903 3353796.168 878715.0838 1939250.026 4535720.532 1198856.943 2198881.737 PC 39:4; PC 19:0-20:4; [M+H]+ 10239519.7 1847368.282 8900602.673 6957424.698 7024249.768 2419699.828 6686238.295 4649562.637 3490331.342 1153735.488 7780941.244 7064652.941 5025329.742 3615144.882 8970359.504 7151314.914 2287027.274 2670322.709 8652779.95 6173153.847 1867369.486 3178669.954 9468068.022 6411093.65 5246782.797 NA 8180465.334 5894132.104 4713221.63 239048.077 7628032.407 7476664.896 4338995.305 3922487.112 6906427.58 6130925.027 4403537.919 723145.087 9826253.657 8625332.239 5812249.327 2246568.286 9012395.218 7926185.394 TAG 48:2; TAG 14:0-16:1-18:1; [M+Na]+ 2271831.294 12410687.53 6397804.106 6812982.785 3225580.318 1189735.723 7790384.339 4217851.998 4886247.15 634232.0057 2937709.754 5781008.665 3574764.288 1604614.246 3291754.003 4829180.269 3723706.395 6279732.083 3782976.446 8942426.856 4511345.71 3835035.586 2893848.476 5161481.726 3794199.07 4225365.485 2818303.33 7075220.109 4271796.511 2672734.737 4248471.104 6726007.199 4883311.097 1168905.323 3037264.378 7994270.368 2669159.542 9104665.945 7264832.859 3484395.978 3204048.129 10130976.85 4093150.284 5955266.191 TAG 48:1; TAG 14:0-16:0-18:1; [M+Na]+ 1651131.74 6193498.7 5898988.561 5261234.428 2115763.173 595848.3386 5792992.68 3759781.481 2937762.375 451267.0152 3398406.367 5699553.448 2317565.682 1099809.038 3977628.146 4066610.406 2704746.483 3924379.29 4099847.59 6913123.953 3136343.74 2723578.518 3439458.234 4927598.301 1940549.094 3734891.863 3522574.874 6109169.001 3018278.903 2339725.858 4587898.398 4962116.637 3021291.852 690832.9098 3412692.959 6473789.351 2037577.593 4562949.703 6156791.222 2755192.096 2237019.922 4829650.923 4102085.14 5199740.988 PC 40:9; PC 18:3-22:6; [M+H]+ 7512935.307 14747807.89 10325044.83 16931902.86 9814796.834 14809420.29 4682283.855 13321616.3 12300997.63 18081282.34 6713926.708 18601303.35 12009655.09 16125100.05 9661401.066 14845904.73 19139063.59 21401144.66 11002877.57 5867342.478 11896496.76 18867362.92 7292579.692 7239588.314 10902586.5 15718042.84 12690662.41 7143068.94 11730538.08 23542247.54 4448806.007 14109500.28 14021825.75 21690763.04 14913338.87 12832559.21 13660221.81 13950666.18 9689780.949 12266103.57 13833846.3 19212665.5 9693235.663 16258767.97 PC 40:8; PC 20:4-20:4; [M+H]+ 52399008.83 46037680.34 70617496.25 60543214.86 46145764.14 50138315.38 62777504.03 54842093.78 53408453.52 45577038.39 68576635.22 61049935.19 53296555.79 47887729.41 63748859.88 67031589.99 40006678.68 50097575.78 75500152.03 57259245.36 52102879.22 43049913.88 65258817.38 60289379.42 48604306.66 35923301.69 71636085.47 58581178.36 49316496.53 46869917.88 74824487.47 56376919.71 52940771.85 39304305.17 67718548.05 60367824.4 54786632.06 41489254.58 76222734.45 70620614.78 51544753.38 34248609.13 73298990.41 61038340.06 PC 40:7; PC 18:1-22:6; [M+H]+ 43280219.96 43950093.17 52960732.89 42382330.86 46509792 45730379.96 34465382.9 57338594.82 52267441.83 40375930.66 32860017.1 48703497.51 52242893.65 51663980.13 35208494.73 53158940.65 47995675.75 41962117.65 37587399.01 42577804.55 37028520.65 56636099.34 50084437.28 35725330.2 43556282.93 32307871.93 37212262.32 50677819.53 37539994.64 46080106.3 31921716.32 43494776.17 43750453.37 56884650.73 28511225.38 47574733.76 53296491.47 42821570.6 53633450.37 62174318.74 44099351.3 48217147.49 33653763.03 51699881.69 TAG 49:3; TAG 15:0-16:1-18:2; [M+NH4]+ 1357452.351 2094939.784 656428.9037 832741.9093 1244473.582 88721.32235 699387.2148 701977.9833 942137.4605 148363.9881 320825.6683 794007.0597 1083827.746 291363.9411 359083.9602 982878.1044 1054478.536 2117786.115 440471.7577 1331390.745 1654506.683 1105479.207 350034.6134 622130.4727 1465688.606 1699078.231 249276.6625 574446.1889 1282153.993 2529061.079 440997.7569 948105.8991 1244993.502 157457.4421 364124.2717 1010709.663 901359.2605 1728935.821 843541.7717 359518.152 1415344.809 2013225.091 392921.2503 659740.6753 PC 40:6; PC 18:0-22:6; [M+H]+ 69934734.93 51962363.21 78111229.85 92619197.71 83357055.38 55279699.92 88387008.31 96182864.07 108928533.2 27641872.21 107279983 85345862.82 89510309.72 65845893.57 109383027.5 89114429.05 80232715.15 36917252.81 104403913.3 92828918.42 82746339.03 57098701.6 87536411.66 93165421.58 78413145.5 29967913.5 98049093.69 93538791.81 74583425.47 34452414.16 84060017.09 83129936.51 86645022.75 46486790.27 78810966.81 85242810.81 88890848.24 48228767.32 108658425.1 104184625.7 76247888.94 52114967.78 100253375.6 89150733.07 TAG 49:2; TAG 15:0-16:1-18:1; [M+NH4]+ 3406951.59 4825642.246 3395662.64 3538659.8 2904813.92 614720.4549 3681982.938 4091444.179 2926262.556 859987.3044 6058379.088 3574962.728 3132138.777 2811984.837 5414160.367 4031112.17 4605380.807 5076003.149 4625179.859 3046028.752 3762812.266 7463467.724 6258722.132 2378614.624 3720745.369 5291203.804 4887419.425 4505337.825 2628956.887 6152842.921 3697384.5 3198122.604 2890784.763 1671560.177 6885732.206 3867244.939 3841213.228 4702801.835 3445652.55 6173558.391 2609490.265 6631331.774 4035994.8 3879267.911 TAG 49:1; TAG 15:0-16:0-18:1; [M+NH4]+ 512962.9877 750134.7291 455676.5063 508195.7634 446212.7974 60364.38185 524493.9743 585795.1277 447730.7883 91286.80882 969664.2795 533668.241 352748.7378 395310.2416 838013.8052 592915.5073 721369.9308 781286.6885 723353.2346 468281.6276 567723.5017 1240568.019 1000270.154 348480.5489 541388.867 785248.3155 783897.5995 617656.5503 386587.2171 851054.2004 559219.3138 430660.9527 448242.3087 286440.7934 1100617.027 400624.9068 578197.6369 716133.0772 522411.4035 988372.8311 400342.782 1044993.221 613347.597 561640.1846 TAG 50:5; TAG 16:1-16:1-18:3; [M+NH4]+ 2651055.397 2756362.146 1207356.012 1334755.407 1498762.072 151495.6325 1301133.11 915627.6896 2242880.739 183988.1189 444423.0975 1090439.003 2248059.461 254637.0409 481537.9131 1215411.252 983353.4662 1873990.066 746915.599 3376125.245 2532243.936 792891.6187 594507.6411 914554.5599 3027784.955 887159.043 302768.3954 1022725.753 1274987.903 1734763.126 459344.7729 1666567.848 2846291.968 180967.5528 468269.5421 1398739.438 1542108.611 1621970.529 1764428.48 522880.3361 1914409.803 1646979.761 599182.8389 878614.5688 TAG 50:4; TAG 16:1-16:1-18:2; [M+NH4]+ 16622494.06 21755791.42 9339413.969 11874303.85 9843940.956 588788.5005 10093157.36 8484972.144 17839869.28 267483.1757 3403107.283 9528505.393 17747594.6 1403292.785 3801376.243 10373425.18 7825922.223 16639211.57 5744058.458 22741287.36 18150003.57 7309217.171 4481457.226 6719451.915 19735859.47 6791251.951 2304830.761 8567247.936 14194768 10752370.31 5485591.303 14233147.52 21962768.59 779365.1767 3037446.877 12322771.36 13269113.29 13467837.74 13386659.28 5224902.395 13150949.09 13973219.38 4662963.735 8306986.621 PC 41:7; [M+H]+ 175842.8845 161575.0904 255478.7524 276667.1904 188258.4416 182109.1466 242995.3879 311996.3978 166681.183 256694.882 222490.8785 211767.2589 204947.9514 218344.5029 244188.3829 213444.9018 218381.1377 315741.8459 210753.0711 268462.4509 138267.8831 257550.4411 237725.9612 271240.348 149328.9563 167397.501 254392.2918 304936.4176 109142.4048 347895.8725 239605.6351 213846.8735 197305.5072 400091.8331 183198.96 210820.6621 220631.7626 152875.2144 235878.0238 336897.4705 116701.1895 205212.6524 257904.3134 221554.5283 TAG 50:3; TAG 16:1-16:1-18:1; [M+NH4]+ 34877518.46 63649823.72 31816704.97 41063322.71 36721553.39 2463209.533 36796416.36 31993567.73 46094937.61 1925996.414 16232989.33 34525244.85 40982584.57 9933868.83 18884784.24 34248906.44 32743070.5 53535349.84 23242098.03 50444024.57 45736629.09 32316820.5 18511257.28 31685349.88 43131994.66 31753735.66 14185161.4 33672607.04 37394116.62 31424105.86 21652084.44 43443671.07 51779450.81 4147573.136 16309692.42 40214677.4 35396983.06 51535536.94 36550271.73 25055632.78 38097801.14 56573918.81 22427849.8 35126129.61 TAG 50:2; TAG 16:0-16:1-18:1; [M+NH4]+ 38168623.87 80019133.32 47008801.93 51164413.13 42570047.39 4672977.989 55948359.23 41764268.14 59881132.02 3390433.181 28959216.99 45226315.35 45811487.54 16685609.63 31116152.82 45397698.15 40897698.56 59401392.34 37096620.37 64007834.67 57958084.62 43154608.92 32444869.06 39127231.44 51764592.6 44652526.92 26663296.28 50758141.59 50043719.91 41445071.95 33183695.39 56770964.16 57544822.16 6957539.523 29850388.6 54802717.32 39952099.55 63905686.56 48606880.51 34676958.57 47216952.58 77590750.7 36248025.26 45082078.13 TAG 50:1; TAG 16:0-16:0-18:1; [M+NH4]+ 19629117.99 38003805.56 38528837.95 33396145.86 16748934.51 724977.1639 38105635.87 32446433.19 24127755.29 1545653.327 26470213.8 39471532.22 20411484.38 8048940.035 30477730.85 32985633.41 25742279.77 21358363.45 31070393.55 47527507.27 31367132.87 17042792.58 29501276.86 30973989.53 23950591.48 32294316.25 23787628.79 41055588.76 29576816.75 20153489.71 29781593.9 36991522.54 26336626.24 2669051.729 27533996.2 40060847.99 19145701.3 18058234.59 39440168.3 21694867.03 20002418.29 27844705.48 29779083.1 33719659.82 TAG 50:0; TAG 16:0-16:0-18:0; [M+NH4]+ 2160010.2 3696566.682 4597974.073 3594252.789 1802092.359 126228.8446 4291185.732 3851353.464 2887252.402 175135.8297 3360200.533 4746716.045 2031832.949 882538.1171 3966913.347 3961482.526 2943140.58 3489719.312 3778913.195 5375255.597 3305491.67 1762711.495 3784288.886 3733137.381 2440563.335 3799138.751 3063010.467 4818686.987 3211539.904 3313923.349 3712175.332 4019666.034 2469401.986 426235.2737 3476144.15 4615613.401 1941786.596 2841913.232 4554404.047 2404574.773 2148888.733 2645620.087 3633322.286 3960151.821 TAG 50:2; TAG 16:0-16:1-18:1; [M+Na]+ 21448727.68 44448735.89 28861426.52 33810788.95 25090085.99 5631121.775 34070352.73 29398807.51 33524654.83 3855541.885 25446033.51 28575476.4 29261145.91 10255101.68 25800955.4 25915164.8 25987518.03 33650539.29 27002724.38 37096830.59 27778393.51 29705895.77 25131637.79 25802490.71 29280826.81 30448437.65 28042903.92 33094696.15 24344385.11 21247334.67 26344471.34 26973941.06 35289198.97 6686437.438 24448442.18 30731696.72 21722564.67 38775315.49 34268888.99 25437518.48 26732368.48 43499763.31 28009218.12 30130891.13 TAG 50:1; TAG 16:0-16:0-18:1; [M+Na]+ 4607931.198 10780978.43 18850650.5 16066002.09 4213110.491 761869.2551 19002451.8 15881499.57 6203373.862 1526295.4 13863167.12 19353621.28 4872288.363 4515956.163 15049446.25 16740196.24 14197075.7 18003193.51 15984581.51 22065806.83 9356291.731 5869070.613 15678405.53 14326869.72 5344819.895 17958560.44 13924362.83 19973003.84 15350308.06 15919797.7 15061690.05 16837936.29 5807723.402 1332535.103 13766245.07 19193451.13 5283600.221 8001177.302 19629817.64 12192537.21 5565871.956 7160265.836 15265766.87 17151172.62 TAG 50:0; TAG 16:0-16:0-18:0; [M+Na]+ 813081.7934 1565313.896 1870466.805 1319210.39 660819.9487 136889.3423 1650985.662 1518258 1038563.015 169013.5945 2017336.523 2095566.668 824376.256 775142.4566 3058412.514 1668287.526 1238463.683 1551249.57 1668294.02 1852363.69 1229805.713 884221.66 1643172.403 1796649.739 938628.789 3326595.421 2814990.617 2044556.978 1245021.096 1500113.286 2420129.778 1314882.552 967765.2136 233502.8551 2714067.124 1801026.967 921856.4737 1214648.652 1809407.39 930903.8768 812097.0862 1136199.835 2079402.421 1745777.261 PC 42:8; PC 20:3-22:5; [M+H]+ 861572.8835 818540.9986 1962991.271 2229385.144 758178.1807 1249588.663 1162709.551 2181006.958 974743.5628 404046.57 2082095.066 1470240.974 1286246.249 1147303.261 1869551.197 1750933.953 622589.0364 626200.7726 2137089.339 1440950.059 581807.552 812663.9784 1553325.771 1641533.779 910800.3177 454674.1198 1583747.871 980662.8074 819132.4783 648463.5191 1910502.058 1624604.176 1128671.053 773254.9345 1351527.822 1341193.689 1253458.344 995802.147 1759494.652 1904745.293 944821.8192 560008.825 1772925.24 1682654.935 TAG 51:4; TAG 16:1-17:1-18:2; [M+NH4]+ 3973403.41 2751859.538 1290822.596 1620481.126 2845021.554 56876.73429 1146904.119 1601376.972 2626919.877 308350.81 637640.1104 1630873.248 2986209.746 667439.2856 769837.1986 2008041.107 3016647.777 3879315.118 879945.5915 2366183.479 4111752.287 2316845.317 885427.675 1227583.019 4186838.588 3455429.421 504959.3404 1125213.238 3387180.729 6258458.269 856384.1888 1806638.915 2973152.743 220696.0098 631827.6491 1851302.332 2410809.49 2533568.698 1686148.216 880745.7916 3534381.823 3094201.156 761681.8254 1238088.675 TAG 51:4; TAG 15:1-18:1-18:2; [M+NH4]+ 2043419.964 1461787.751 1400068.262 1509436.123 829269.3663 NA 1432730.792 1373223.774 1743879.837 734.4719779 741092.3429 1358922.008 1556870.916 18087.31533 811950.652 1394688.003 1202799.01 1416505.079 1188444.5 2038488.235 1858157.282 945656.6344 1020379.635 820479.495 1729763.016 994101.2175 530735.5545 1497011.891 1442590.673 1425874.598 1000225.432 1589018.898 1851664.868 1513.912314 1785828.485 1676717.63 1604851.027 1147386.072 1751425.699 1044801.984 1139770.648 1248641.316 1041056.189 1271958.523 PC 42:7; [M+H]+ 2369194.289 2291590.747 1856506.893 2808660.05 2978688.613 2593118.906 1844537.955 2871445.887 2486765.285 2208795.277 1779803.456 2793465.368 2648495.881 2710495.962 2115565.784 2898681.461 2940054.919 2102081.24 1846543.163 1741119.123 2273409.76 3213154.433 2221738.564 2186027.334 2162597.415 1258031.356 1638176.173 1955625.814 2196250.629 2611121.62 1268543.92 1929669.643 2791899.077 3039717.694 1315042.742 2230919.922 2933796.276 2357924.998 1817337.76 2953002.89 2257649.879 2764206.301 2301664.177 2467938.253 TAG 51:3; TAG 15:0-18:1-18:2; [M+NH4]+ 6369699.799 5117985.363 3088213.019 3316556.523 4641564.926 309089.3823 2920844.222 3454048.926 4309375.575 704585.396 1704763.172 3168456.073 4862780.202 1844792.529 2039976.47 3904594.776 4107269.716 6983638.099 2367391.539 4637004.861 6233327.568 4258983.343 2338809.605 2436653.376 6456800.893 5250053.436 1487699.612 2686744.809 4499143.394 10325265.68 1946350.355 3756937.043 5109891.884 898449.2102 1531725.404 3654742.817 4121931.156 4692941.17 3720275.21 2526093.545 4587368.595 5765435.943 2118710.667 2815591.423 TAG 51:2; TAG 16:0-17:1-18:1; [M+NH4]+ 7240729.77 8646641.752 5563452.882 5359942.04 5134228.092 266134.9451 4651682.828 6231594.59 5804393.165 768296.4249 3307130.247 5662406.566 6427534.78 2233071.031 4788107.642 6480399.233 4792349.519 9261914.66 4635304.084 7110072.916 7822596.164 6559299.8 3855257.266 5045514.014 8213181.755 7102752.639 2830401.534 4472453.294 6663072.761 12246437.9 3587035.106 6330935.17 7237329.779 1059888.265 3080178.562 6138565.919 5502593.019 7538719.692 6255781.595 4569497.733 5794921.615 9469141.019 3771899 4500206.523 TAG 51:1; TAG 16:0-17:0-18:1; [M+NH4]+ 1012935.4 1403586.145 828522.3964 943014.6597 727482.9718 18576.87169 803721.5329 956130.3256 888612.3523 116703.9081 581709.5417 849255.2619 953121.2012 314690.7661 721247.3568 959913.2577 856864.8333 1660297.488 665067.7616 1068102.223 1420913.74 1046417.314 680275.3121 731770.3786 1186637.219 1224835.193 494741.3023 794189.0179 1003288.391 1857286.086 622888.3816 951038.4747 1084475.752 105820.3996 538346.2501 922093.0116 798567.7227 1200372.373 907274.4278 709545.8779 834841.5776 1569875.236 655784.0308 781144.5102 TAG 52:6; TAG 16:1-18:2-18:3; [M+NH4]+ 12905502.4 7897970.453 3468732.463 3663410.335 5012583.766 46094.7227 3919151.39 3469140.474 9542621.31 445068.201 1657825.678 3260587.577 9718845.176 429460.8866 1640831.902 4431253.573 4182587.874 6116145.19 2584421.282 8006073.061 11035307.3 2985408.33 2503651.217 2140168.954 12493645.72 3527309.789 1015105.1 2932367.12 10250895.09 7026536.74 2131917.166 4457335.144 11559413.4 432022.0244 1300544.25 3661035.624 7529458.318 5035712.956 4766332.905 2078840.439 7172137.353 4863547.44 1842891.332 2533516.991 TAG 52:5; TAG 16:0-18:2-18:3; [M+NH4]+ 56422137.89 39009819.15 22344381.86 27856628.71 29544802.56 956853.2214 21879825.03 24509658.57 42524002.13 1684202.654 10028969.37 25093324.37 42725145.75 4790832.242 11208085.31 27161580.15 29198430.58 40342740.92 15556853.51 43289379.61 49169524.61 21805423.02 13972468.39 16502313.32 46478171.48 29032466.75 7117016.983 20015960.73 43741557.55 41953781.59 14095341.23 30322145.41 50984771.49 1728659.718 9863420.546 28839841.14 41285339.22 30411071.73 31207262.31 15017416.38 39246325.37 30047598.2 12217388.92 19815220.63 TAG 52:4; TAG 16:1-18:1-18:2; [M+NH4]+ 101343462.6 74592234.16 57989101.46 66251878.56 71209957.15 3195812.322 54289595.53 63551025.59 82437687.47 5751618.548 32303384.56 62421263.49 79014450.32 22590266.27 36926621.4 64655843.76 60582258.8 75113689.86 44889074.46 83814264.48 82764977.7 54033631.4 45918299.56 50742295.26 85314095.54 62478723.67 25786619.95 53820969.97 71135631.31 76374034.07 39462171.59 68215758.43 89811511.4 7860951.86 30065536.14 66275695.9 80864133.58 59992843 69276012.92 48847673.52 73783477.65 62510705.09 38345212.98 54450913.57 TAG 52:3; TAG 16:0-18:1-18:2; [M+NH4]+ 139222542.9 107784351.8 100539234.9 110195466 108009823.8 7317129.019 99392347.27 104004973.8 128679190.5 9879484.588 72152376.92 100478947.2 121069703.3 39661111.72 79965683.93 101555636.5 94841056.76 106572138.2 86829628.97 122032942.5 125242572.5 85251717.76 85445547.69 84872164.16 125886571.9 81990048.16 59414225.92 98526971.08 103748182.9 97974528.47 77255330.82 111776965 133522430 17560641.33 66759091.95 108567441.2 121856984.7 96477563.19 110392098.8 94913579.84 100660307.1 101891941 81250065.81 96769831.66 PI 36:4; [M+NH4]+ 539031.6958 358624.9113 401034.6593 252392.6985 738627.7071 479005.6901 764809.6251 236664.4916 533191.1449 268889.4515 360342.0482 237574.0099 520745.1737 397927.4174 281073.5919 369171.439 438058.654 280070.5209 331251.1673 546473.3337 663765.9713 420695.4531 363836.5424 781107.8609 575577.3387 187762.9027 300441.1132 460052.5864 516714.7177 228262.3449 428481.1033 358026.9623 598888.6929 306893.8226 229683.3382 427906.9999 436600.728 325014.6347 392783.3627 387889.4661 512612.5909 338870.0278 373307.2129 321842.628 TAG 52:2; TAG 16:0-18:1-18:1; [M+NH4]+ 159046739 112360783.1 110534645.2 115953241.3 100709847 6700016.793 115493809 105781009.1 124164051.6 7700339.786 97086134.87 102589629.6 111859342.1 41967881.25 101401567.4 126615545.6 96686875.91 103696252.4 96136827.01 120628812.1 123323584.9 99625530.27 98224922 93651079.45 161474030.7 79074229.41 86529708.41 112510765.5 103945465.5 109754334.8 97552236.99 114618294.7 125974788.4 15261811.84 92630469.56 111793523.2 107202129.3 98862648.41 113133783.2 104536002 121592117.7 104903603 100798979.7 104022147.2 TAG 52:1; TAG 16:0-18:0-18:1; [M+NH4]+ 14064527.96 12398585.03 28756990.7 19863291.61 5984367.998 448251.6126 34782698.46 26525431.6 14939975.67 493920.1413 30516911.06 31828338.5 12869223.76 2984232.18 44888092.13 42388699.11 12554022 11730883.88 36235204.74 28173291.12 15368388.01 7637394.806 38067160.21 17804321.02 13309670.47 12497266.01 22119859.58 26643672.16 12948497.16 11744000.49 30000353.04 22704070.11 16968222.43 1057254.961 28416296.53 26414854.8 11752045.38 11470783.87 32784779.01 15448217.62 10894583.61 10763918.89 29355958.92 31031713.72 PI 36:3; [M+Na]+ 1961674.162 2218026.102 935929.9751 1423303.844 3225004.569 2253058.482 1277104.578 1654510.779 1618040.809 2767822.903 1444063.356 1100867.975 1687911.054 2398215.647 1119677.632 1506070.528 2092209.216 2467282.632 910463.6447 1936578.668 2738631.789 2119933.102 1477734.336 1495614.05 1831423.373 1927742.047 1168880.379 1500428.289 1632176.697 2002911.324 889608.465 1146403.73 2067741.857 2600277.313 822176.1333 1152367.035 1820306.48 1920774.536 1271980.249 1304499.478 1834388.666 2753328.395 942700.95 942003.7181 TAG 53:5; TAG 17:1-18:1-18:3; [M+NH4]+ 2665274.001 1589679.639 1634192.727 1453152.515 1636964.566 61615.81553 1654702.959 1206156.253 1600107.266 176970.5711 666613.9282 1289595.869 1804508.116 478921.1069 775541.7138 1486514.228 1770537.932 2527479.019 1558965.763 2095835.172 2518390.344 1668624.819 1581507.543 1172938.622 2023503.396 2215374.756 617663.0994 1770652.901 2288323.209 4455290.615 1261623.343 1574822.311 1906372.703 217113.731 815104.7194 1520221.164 1648042.941 1536231.511 1807152.568 891638.9119 1912646.937 1481676.218 1184854.713 1609777.378 TAG 53:4; TAG 17:1-18:1-18:2; [M+NH4]+ 4187746.29 2172139.547 1937424.469 2309767.311 2412012.823 190001.3835 1695462.157 2682749.818 2410574.443 283138.2942 1209301.716 2277936.643 2875588.501 1036435.241 1405914.589 2744760.362 2476898.202 3469904.291 1570198.088 3103315.024 3402068.1 2697125.622 1644709.362 1705553.41 3504082.511 2813395.546 1067062.645 1706132.169 2711116.664 5725499.618 1326792.731 2428736.44 2756733.834 593427.06 1266733.199 2383292.126 1300886.933 2168645.987 2399745.94 1655051.993 2384663.327 2571123.171 1323187.83 1808939.334 TAG 53:3; TAG 17:1-18:1-18:1; [M+NH4]+ 7839536.584 6635027.724 3911225.35 5313729.591 4386774.3 356887.6322 3729444.287 6093464.3 5564330.691 589741.4446 3025491.627 4793612.497 5459630.727 1775321.794 3597018.236 5744192.568 6211190.485 9023258.234 1669433.765 5669297.46 7922976.858 6508677.419 3546410.391 3758879.461 6260372.259 6748780.06 2708096.6 3955086.365 4633825.838 11801001.1 3165126.43 5004751.781 5218458.367 989500.9841 3042449.846 4882345.853 4574812.831 5228621.729 4624542.207 4150149.817 5195086.95 6884368.42 3261729.809 4277605.195 TAG 53:2; TAG 16:0-18:1-19:1; [M+NH4]+ 5712233.334 4491158.644 4507321.998 5203248.905 2570352.841 190462.9005 4021994.184 5397469.877 4026712.509 331236.9285 3508867.878 4699431.588 4812910.978 1077118.448 4147449.884 5201515.74 4507746.586 6436194.221 3737470.966 5683659.505 6206117.127 4825043.545 4007352.208 3478554.59 5698400.671 5258690.542 3004787.411 4045839.392 4499404.225 7901858.073 3280741.068 4820272.848 4889634.616 601322.7212 3323146.155 4839729.726 4097404.384 4480545.239 5027111.991 3541131.478 3251423.318 5381424.801 3613776.195 4019033.35 TAG 54:2e; TAG 18:0e-18:1-18:1; [M+NH4]+ 1176018.987 1328385.834 174079.1886 NA 87336.18902 12432.94584 263628.2695 599402.5174 569959.5719 4514.225417 173014.4173 190943.105 804021.9118 42114.68273 457509.5932 870696.4283 518606.0501 615008.8532 169325.1292 248349.5436 899050.8564 191921.9441 328152.2722 39430.61838 506163.125 415347.9389 248830.5066 178239.7294 499989.9997 842891.3036 159437.2394 119535.3396 455191.6757 27711.29093 841206.8964 743201.8512 841534.8111 679714.539 NA 217202.9021 261936.9849 322276.739 245742.8045 481134.4772 TAG 54:8; TAG 16:1-16:1-22:6; [M+NH4]+ 5755805.23 3241700.744 1548332.598 1517823.08 2579246.568 68173.9846 1762645.624 851129.1843 4842135.345 60524.49073 1041455.364 1413988.824 5157913.848 616311.4918 983795.374 1018533.641 1601284.83 1163602.609 1492545.28 3265850.924 4681573.369 919474.9836 1568605.778 1019533.409 6457185.92 1001555.494 585795.3315 657338.8012 2611679.028 2096775.489 1125644.16 1731805.279 5764059.668 292925.1359 621393.9777 1387966.287 3825279.581 2476177.15 1057435.526 1209527.996 3813764.5 2613753.324 1046941.504 1262022.45 TAG 53:1; TAG 17:0-18:0-18:1; [M+NH4]+ 2069239.77 634066.5731 1981543.23 1811904.085 916123.7532 53866.079 1582567.409 2056185.456 1331412.095 80787.84071 1409523.717 1885119.719 1692847.856 469878.3089 1884303.019 2341548.289 1585757.335 2134532.428 1618551.83 2013616.465 2093261.881 918888.3482 1963045.607 1147632.227 1896062.664 1869499.279 1344795.391 1597203.184 1459681.764 2477084.144 1269717.968 1570999.156 1415607.281 137564.8754 1419726.083 1830551.311 1622072.584 1394164.963 1823830.672 1041488.344 997840.9494 1797158.21 1618002.933 1726291.912 TAG 54:6; TAG 18:2-18:2-18:2; [M+NH4]+ 63935553.03 43443555.28 39928598.01 43179508.75 38910571.41 1204493.192 41677768.75 40498679.95 63436492.24 3364872.712 27928390.99 39107626.33 48152459.58 10910466.05 29683191.31 40059867.85 67366788.86 53181454.17 35440362.74 59902746.2 64452309.76 30944391.27 36380033.69 30006330.26 58664506.58 56763706.28 21834501.46 37685846.28 84040809.48 78422879.56 32092009 45191224.7 61698994.78 2883957.478 27946904.23 41863110.62 46582138.31 44046060.79 47237824.31 25236534.77 61610765.62 39791916.82 28360428.99 30753614.05 TAG 54:5; TAG 18:1-18:2-18:2; [M+NH4]+ 80349295.43 46318770.2 47062848.3 51561135.17 54678120.64 2055702.52 51837469.33 50146226.08 75175157 7693517.318 37145397.21 54222830.76 57608820.69 24184040.31 35350357.58 52209541.09 87132932.95 70291358.41 46674701.56 82463237.98 74909733.29 44944797.94 41692843.54 39568332.6 71478274.66 80258571.19 31181449.91 46018693.33 101823645.8 104154804.8 37772118.85 52381107.73 69746009.95 7017177.915 37286415.8 59231651.37 54622853.08 58145679.34 63462197.1 31823787.55 63839962.37 53346098.54 37514884.76 42502044.19 TAG 54:4; TAG 18:1-18:1-18:2; [M+NH4]+ 92424224.47 66612875.17 55392966.77 80864285.55 45361607.65 2803126.014 56783140.58 86594072.15 82820361.69 10924607.08 48054974.89 77437704.97 75565313.47 33002337.77 54415161.06 78077252.83 102106522.1 82173758.27 59179396.26 96103226.48 81120201.91 69765687.71 60650084.56 59177397.65 82308975.74 89661362.96 41172549.68 60294091.56 105297463.5 118410140.5 54867305.84 76057921.25 78810591.61 10936812.49 52176844.77 79260185.71 72040838.15 71525590.51 70991839.27 60082703.7 76997106.09 69342948.3 44719573.58 64140627.31 SM d49:7; SM d17:2/32:5; [M+H]+ 1009542.301 1330005.104 890614.1656 1373039.373 1366526.029 1454698.728 1050619.324 1403944.2 1129707.216 1687531.652 1169215.403 1336796.11 1213208.565 1581036.132 1231665.025 1192725.652 1763135.353 1638407.683 1068595.182 1177134.498 1161509.62 1690442.276 1199108.38 1174173.409 1107529.044 1597372.147 1241051.856 1306336.531 1081435.394 1944334.649 922723.716 979829.3058 1376540.287 1869808.161 1299025.04 1162113.274 1256078.456 1357130.173 1029674.258 1242559.752 1285065.56 1701273.649 955791.5996 1245249 TAG 54:6; TAG 18:1-18:2-18:3; [M+Na]+ 36462889.22 28841783.75 30395999.37 31305041.22 24383166.42 2484556.311 33909787.05 29728695.3 42049170.41 6535030.797 27737145.45 29092325.42 30277966.26 10612007.7 27556919.75 28964206.62 42336225.69 32436232.92 32305921.34 38383134.85 40987764.86 21142143.92 33040216.47 22730330.89 36217298.86 34666503.13 22940244.86 31717910.63 51074411.42 43453988.88 27719744.58 32153480.06 37548292.52 4673551.572 25164340.84 31287110.92 32583642.26 28083412.67 36752564.68 24304913.6 35002103.44 27308341.03 25415439.62 24696027.81 PI 38:5; [M+NH4]+ 484454.6406 375576.0395 439984.2036 440913.1973 437665.4943 478116.9511 755458.2724 452793.0773 414414.854 486736.4223 204641.5404 385318.4446 445386.6458 405137.2186 191288.9365 528073.8637 377688.4553 430436.3173 448012.3907 694754.2582 364932.8097 381949.4475 227144.9812 712255.7259 429331.9122 281068.4715 299545.9173 586887.9626 365928.0582 315920.8979 567649.9847 461844.7109 454675.6764 494830.0492 417719.9459 504907.2704 479024.0536 355489.6103 519025.4773 837239.8628 358958.4568 390335.9789 481606.779 443383.0989 TAG 54:3; TAG 18:1-18:1-18:1; [M+NH4]+ 66682702.45 71704934.59 53903133.85 75479136.54 46679510.28 3146495.091 56442360.33 77103758.14 64999072.04 8188675.467 54465693.86 66349168.6 81437864.68 30009187.62 54164413.17 69063670.79 93890072.83 80106741.17 55269764.64 76331405.64 74344059.45 77538242.18 56433276.25 52766080.59 79016802.02 82655899.68 49547713.06 65716669.31 78445589.47 101958522.1 51910224.88 69263983.36 77966107.86 14135494.65 57706214.51 83281768.77 74460355.96 74280780.93 59460478.89 64821469.37 68500006.2 77437336.23 51537966.88 77392414.11 PI 38:4; [M+NH4]+ 812231.5875 736164.327 1121388.351 948190.0408 1051912.393 733735.4576 983704.605 1137245.931 1187321.014 468519.6268 1052784.11 1050106.795 1001849.774 775458.6499 1042431.148 919947.9169 972323.7385 600791.5129 1013341.73 1045321.616 917518.0252 750499.5151 1065997.843 1022027.648 916219.0649 453156.8721 952885.889 878954.8201 936496.4207 570830.0765 994088.3683 1078040.164 1032261.53 807384.8731 1003355.458 1123979.884 1092217.298 611920.4043 1132965.121 1358848.99 976848.2292 753578.3348 486933.2775 1081629.146 TAG 54:2; TAG 18:0-18:1-18:1; [M+NH4]+ 38948316.39 39563466.63 44235562.03 55600303.99 15670166.98 1254926.199 41460094.82 52641126.53 40915426.51 1736953.704 39250136.01 51690216.58 37034862.41 8171017.915 41879286.51 48548590.25 46016630.25 34666078.52 40562729.88 59430886.36 40333237.85 32163529.86 43875876.09 33917730.28 39634187.56 35570397.8 32981213.82 47259757.08 40618199.02 40721027.84 33342805.98 49664312.95 37952134.38 3248203.953 39434903.17 52745614.02 34398416.85 36052190.46 46457268.72 37993396.75 28228021.51 38890297.8 37626788.35 43569418.26 TAG 54:1; TAG 18:0-18:0-18:1; [M+NH4]+ 9357927.255 9480413.151 16448070.02 12606293.79 2339743.274 124230.541 13996274.75 14912307.91 9635977.547 328071.6623 13079550.5 16927711.9 8607605.652 1220035.878 14999282.95 17051829.28 10314375.83 7731154.402 14160361.12 16319746.88 11171511.01 7009770.166 19851546.94 7322751.924 9557330.689 7965099.321 10108954.03 14388212.82 10129009.63 8629509.595 8469026.117 12574409.26 8324407.567 492331.5613 12563181.16 15617352.75 8450371.612 8379151.165 14196874.54 7536537.395 4351188.256 8938100.216 12733304.88 13994763.65 SM d50:11; [M+H]+ 608022.9858 501975.4452 567737.9553 545250.2364 654087.5957 524781.3851 623229.7271 516504.1862 537436.5184 375480.9555 579982.6252 466487.6129 569082.6739 428266.1647 592774.6877 541146.0217 376793.5131 355912.2712 575796.1353 678881.3477 387081.4782 467629.4422 652733.7923 646635.6231 519761.2044 348058.1454 620418.6532 734064.5675 397328.8206 268421.4461 617523.7427 481838.423 570293.5773 389703.8469 433350.7382 565926.5896 581741.2915 448026.0283 594994.6798 698471.0271 528796.1465 432913.4484 617335.9658 564394.8272 TAG 55:7; TAG 16:0-17:1-22:6; [M+NH4]+ 1503479.338 1235164.181 1031220.974 1090180.526 916271.6746 17893.49882 2752259.534 1375291.923 1097048.644 22674.08892 888743.8412 1066862.021 1459225.776 384210.1311 963355.2987 1402073.636 1209908.562 1378691.761 992468.4043 3324162.48 1727757.727 1553771.291 1150336.973 690406.3291 1597560.132 1150530.915 496815.7192 2917008.016 1162288.085 2273017.659 805498.8527 2888093.769 1388300.154 157338.0177 759138.1022 587935.8882 1371594.651 1072377.557 3042940.105 2944431.849 1106423.488 1397419.83 858225.8409 857105.7483 TAG 55:6; TAG 17:1-18:1-20:4; [M+NH4]+ 639055.5783 882352.5251 790726.1214 492013.7025 736532.3641 18514.52237 823007.3573 679775.798 549346.3739 42427.99819 816481.8399 876131.0097 1011575.082 374249.7052 895651.8481 1188319.204 1018059.204 1149601.183 894767.6641 1036688.586 1310787.088 1049850.114 1030418.833 641120.1085 1174279.935 459636.1322 731849.0728 792641.9832 943857.9547 1725932.771 697638.6741 976308.4042 1005510.685 68465.35698 876047.2628 825725.2815 933880.7311 789020.9681 947425.3322 790988.125 350612.2925 967104.3447 726836.8697 731082.7372 TAG 56:9; TAG 16:1-18:2-22:6; [M+NH4]+ 15984043.09 4955668.813 3956849.34 3584098.908 4016649.381 255828.8692 4106310.323 4794021.999 10055162.23 2178.430787 3092728.385 3546045.337 13155936.96 978463.0683 2900073.025 5414872.852 4457507.639 3837266.45 4192868.008 6843399.308 9587555.286 4318678.126 5110240.426 2077485.368 15124825.62 2644397.774 1603795.126 3253562.275 6496725.332 6853392.892 2836211.649 3836332.805 11718326.85 497923.1939 1785194.901 2869269.37 10858403.57 3436393.692 5204835.633 3624555.478 5792430.621 3657264.163 2678705.088 2784772.698 TAG 56:8; TAG 16:0-18:2-22:6; [M+NH4]+ 52452201.69 29019874.26 30788591.93 33059120.83 22562309.12 819911.9411 32601614.57 43734663.76 42673542.37 NA 27926502.23 32443722.89 50817511.72 5952098.754 28442930.99 43320887.72 32052737.71 24255482.84 32024550.72 19262856.35 43689468.8 34530250.57 40948526.19 19193026.97 49235962.6 18605246.33 17986046.04 32746565.12 26459122.54 31180656.09 25906905.87 31447968.76 47646232.37 2005523.855 20578869.26 25245452.55 50238507.65 25682830.74 33109841.62 35434059.24 30339572.17 30005171.46 26537645.24 27371863.21 TAG 56:6; TAG 16:0-18:1-22:5; [M+NH4]+ 19795608.12 13307463.34 23486550.89 20672624.84 11385777.23 679086.3331 26651043.38 28195599.81 20539759.14 1085190.687 26662772.7 17169054.07 18901947.02 6490565.417 27319044.2 23551124.88 17584772.73 13984676.76 27994854.16 22402384.48 20252050.56 17480277.15 34552471.49 16954274.18 25450155.59 11177334.33 22575157.3 26123506.42 13838642.48 18552951.94 22574178.95 22721148.26 18907592.31 2617189.132 31309883.55 18901804.44 18006733.97 11123533.91 20431883.75 21565144.89 12223280.6 14354837.51 23173638.66 16422362.6 TAG 56:5; TAG 18:1-18:1-20:3; [M+NH4]+ 14858499.49 11056278.57 14061347.33 16800117.34 7374320.55 351443.9446 16525743.72 19767255.86 13360296.81 680980.2953 19119573.97 13867084.89 12417957.34 3558851.471 18754219.08 15914623.33 16274528.45 11288201.18 17390418.97 16050500.62 14017231.85 13685431.18 20037763.8 11745706.74 12694993.47 7963841.504 17063947.02 17692124.49 10925803.34 14101255.5 16048415.01 15395622.32 11862039.87 1656730.807 24514005.27 14047033.61 11994385.87 8986961.566 13925563.41 16672561.1 9405390.926 11267012.8 15763712.3 13031112.16 PI 40:6; [M+NH4]+ 242515.3244 190998.8321 167492.6005 146183.2576 206180.1887 153844.0071 218455.3805 150544.0976 242939.3417 151155.1067 149530.3546 145872.1816 126204.1528 191328.8222 152359.0212 174352.4816 178105.1787 169136.9725 133706.0104 137870.2386 158873.6876 172051.1778 156778.3328 175403.549 258025.3012 141250.6996 220356.5043 137605.4049 167344.9075 144689.2077 190579.3531 180978.0455 193625.9224 175732.8345 262060.3694 143170.5807 224551.9343 203122.2234 182839.7521 144906.6749 169042.3353 177368.4071 213572.0452 146626.4216 TAG 56:3; TAG 18:1-18:1-20:1; [M+NH4]+ 20160924.39 21869279.7 10668375.88 15277328.17 5356097.288 454178.5354 9745504.247 17623392.89 18432597.68 577808.2115 11438395.16 12794070.28 18499161.61 2825430.872 11710112.11 16586266.69 23903453.62 17971010.26 10600796.88 13637795.61 20624775.61 23698850.22 11482036.99 7259692.023 16389853.19 14439208.23 10779109.22 12250634.42 17718459.55 22497513.92 7988371.403 13041620.05 15561900.56 1420000.686 14112599.2 12546494.52 17183969.33 18668868.25 11145353.18 17703265.05 10520676.01 23793494.68 11396196.97 13266908.37 TAG 56:5; TAG 18:0-18:1-20:4; [M+Na]+ 2396397.176 1817249.042 2721652.475 3091190.828 1329209.22 50559.35629 3092170.66 3619918.613 2457808.322 62405.49038 4314728.941 2438242.122 2513516.411 642758.4784 3952169.308 2923099.454 2296445.448 2063706.756 4088178.23 2807037.492 2557104.38 1999512.552 4462126.808 2213628.552 2375776.845 1418162.845 4144994.925 3522105.061 1763197.075 2126948.288 3668465.097 2660515.87 1946408.578 281645.4272 4331494.82 2538601.866 2593099.457 1519140.973 2919549.322 4567920.493 1592357.977 1975741.726 3411531.425 2490987.093 PI 40:6; [M+Na]+ 882235.7118 867162.8744 757697.0801 681760.2498 809937.0365 825323.9364 677900.7225 694575.5548 850559.9134 713866.528 602315.803 714702.1109 850176.6382 920349.2417 627999.783 827502.3766 792493.0921 798100.0472 656197.2625 676556.6435 701117.8177 822911.898 625054.4749 846588.8476 857557.0042 863340.2064 618586.4367 653547.6433 663393.8484 764688.2491 724681.8128 753733.4478 801208.6567 859157.7525 595609.5553 667686.2823 900145.9993 918623.4473 778236.5821 646345.2835 712687.2718 850676.7391 804960.4931 642542.8701 TAG 56:4; TAG 18:1-20:1-18:2; [M+Na]+ 8880984.133 7803734.913 6108231.528 6507248.28 2608782.549 407862.778 7140926.408 8230597.466 6229694.21 561660.8861 7672817.573 7158102.577 6497371.484 1791142.317 7149030.629 6761412 9578823.125 7520640.499 7343383.892 7121313.724 7621922.583 13702683.76 8431445.596 3425552.406 5897272.618 5528342.307 5964112.802 8350372.843 7152442.407 9974330.207 5689001.372 6960352.207 5359537.667 1227303.671 7784784.564 6014200.676 6708816.531 6849723.385 5870196.579 8685376.688 4154849.878 8907370.09 5071329.074 5012418.138 TAG 57:8; TAG 17:1-18:1-22:6; [M+NH4]+ 776459.2714 514250.0581 555983.8247 599757.7976 422556.0156 4276.558465 553146.8608 888737.7594 413936.0766 4990.44412 665139.0519 666403.9441 776399.6113 306098.5637 650764.1903 859236.7134 700528.2261 628991.7324 695948.1705 1021826.933 742758.3633 1840703.737 832384.0363 422428.9636 1045319.997 513166.937 579256.1 612571.1491 476185.3927 1146459.853 538787.311 596804.855 622008.2233 48456.54754 655752.6014 479892.4165 986896.1431 518166.0607 581121.3604 744416.2631 441179.8427 532183.4059 572205.5951 931289.0438 TAG 58:10; TAG 18:2-18:2-22:6; [M+NH4]+ 15615782.7 4963262.765 7399104.367 5912232.242 3412470.132 190641.7608 8438413.482 8152369.286 4754646.309 366689.7385 8095562.207 4794661.935 11062284.31 1175149.344 6796612.029 7965945.611 6778489.284 5401809.196 10142882.1 9873122.251 9789364.731 5071883.9 12375446.74 3228538.431 13319066.68 4584625.87 4579109.11 6557442.199 7739687.806 13826055.75 7394034.078 5944771.98 9409069.249 552242.199 5820999.705 4759653.171 10311132.25 4236940.721 8957370.718 6255392.246 5382902.243 3801365.978 6200117.842 4276824.451 TAG 57:3; TAG 21:0-18:1-18:2; [M+NH4]+ 1878798.11 1348265.574 971912.8902 1253235.779 806399.9346 83316.76401 508471.0995 1115508.84 1521902.014 129148.1274 412880.4218 732507.647 1631675.225 384608.346 945282.2912 1296561.191 1797088.371 2369123.451 508851.8097 838414.3912 1993771.783 1956147.86 888263.2267 406848.8026 1616045.049 1628245.545 905910.1737 959997.4558 1531114.926 2502650.96 856834.4113 1219924.016 1388761.886 216287.3327 523403.2318 1204038.387 1518543.676 1422048.165 1063449.211 1107243.385 1121460.628 1888630.778 990087.4206 1162846.006 TAG 58:9; TAG 18:1-18:2-22:6; [M+NH4]+ 20897937.31 11038341.96 15886562.95 17715710.11 9276616.194 347526.134 15107257.59 27613938.75 14606188.84 720556.8517 20375082.14 17417786.86 21832104.27 4205172.882 19436768.23 24843679.1 19698480.19 15156290.34 22158863.43 17775734.31 7088854.221 23326682.31 27150551.63 10830597.77 20273537.1 15757409.83 14653552.26 17263042.27 12247091.3 27130876.2 18691544.23 14082563.02 16358579.35 1638726.08 18720751.49 12676093.21 21876105.59 12378958.32 16671881.03 20586611.52 12360384.6 13677146.55 17026024.31 13857325.72 SM d53:12; SM d11:1/42:11; [M+H]+ 628931.7386 500356.1841 961137.9365 946984.2347 863163.0605 622250.5091 1002330.299 934103.7759 609499.8601 519187.4661 1317263.499 819867.4186 598704.6954 762575.8184 1202400.162 920426.7697 718286.9937 671722.498 1315129.365 912519.5681 844885.9387 634142.7016 1168917.309 919266.4016 538818.1962 404429.9854 1299301.578 966147.5207 557643.8434 577293.6392 1313037.44 625612.8616 719731.2763 652738.6155 1061514.031 719694.2058 630321.6555 423164.1254 1251769.761 1099552.379 604660.1755 612440.9525 1050293.569 716856.5091 TAG 58:8; TAG 18:1-18:1-22:6; [M+NH4]+ 14056548.91 9643581.417 13815779.3 14251915.58 6990960.72 543608.4968 11854511.76 19332960.62 10692594.8 917182.6741 17736107.29 12537375.72 19290799.43 7404405.205 14105596.24 16944821.84 14384533.26 9039240.862 19005702.47 13389348.27 10959580.23 19280186.49 19349228.84 9121647.409 14142066.64 9040845.025 15051877.47 17566639.2 7338650.262 21302784.78 16703554.34 11792090.5 11131962.81 3107325.752 16195971.94 10154747.26 13309931.77 10571512.68 10940976.44 20145058.45 7270042.659 12904760.68 16063006 12221642.32 TAG 58:7; TAG 18:0-18:1-22:6; [M+NH4]+ 4756842.5 2936412.424 3096487.453 4571372.174 2464167.141 301701.925 3510077.128 6572443.43 3962578.846 417967.048 4060082.118 4224835.989 5206999.242 3314812.061 3469151.137 5192342.364 4414736.837 3209596.101 4279180.456 4508499.543 3925750.653 6215994.315 4480441.03 2935277.825 5071566.913 2627799.266 3609976.507 4511629.618 2615236.147 4934729.111 3388250.87 3728719.146 4012870.719 1397068.336 3745513.858 2902215.354 4706451.128 2903279.689 3305624.931 5111875.366 2698088.225 3714844.259 3376826.806 3670812.82 TAG 58:6; TAG 18:1-18:1-22:4; [M+NH4]+ 2985924.804 2479687.432 3164929.067 4533556.332 1416761.588 42193.63452 3494441.625 5560299.949 2448844.565 77091.27608 5115781.154 3322871.13 2648374.051 948378.6865 5155198.794 3932156.074 3943513.657 2112242.513 5221552.592 3943968.854 2903352.026 3293574.798 5591812.428 3254311.802 2661325.875 1628804.199 4581413.548 4650979.799 2234467.066 2881331.289 3876268.864 3513388.62 2298559.31 404340.9602 6861485.061 2930847.106 2628281.135 2105361.465 3357180.623 4362981.628 2457699.086 2181606.527 4067967.505 3366614.518 TAG 58:5; TAG 18:1-20:1-20:3; [M+NH4]+ 1995635.675 1296316.456 1369167.733 1924884.123 566686.7251 54933.94774 1540581.81 2085833.22 1214079.212 64176.6073 2475088.339 1521021.457 1428715.056 325778.4858 2587351.683 1552148.442 2655713.357 1341578.613 2229111.268 1258498.417 1943345.25 1922318.955 2648900.493 953199.8384 1281363.782 1024699.655 2046539.764 1753735.952 1502789.395 1415484.886 1913583.644 1636626.364 1292784.887 181556.6395 3922208.144 1514720.852 1552465.398 1119907.642 1062862.631 1938704.641 838027.7532 1593683.397 1711903.935 1295671.618 TAG 58:4; TAG 18:1-22:1-18:2; [M+NH4]+ 4147172.024 3477876.277 1022535.812 1615801.763 820766.5093 55505.5415 993890.0344 2083221.052 2844244.807 80794.98155 1456564.723 1639739.167 3626596.781 354298.258 1451255.951 2260787.679 4041234.339 2911886.454 1221276.31 1207787.55 3912572.444 4429020.257 1665734.355 716105.7706 2551398.305 2315964.57 1377184.263 1322426.127 2954551.542 3803742.524 871975.2884 1399039.987 2241364.83 190466.2665 2097717.854 1499227.057 3652253.964 2814051.953 1041871.346 1719161.734 1949856.017 3958630.013 1357697.947 1465213.027 TAG 58:3; TAG 22:0-18:1-18:2; [M+NH4]+ 6484222.461 7224937.525 1665508.445 2627127.129 1055882.098 84042.30221 1740865.844 3492912.494 5240602.417 97150.57691 1863741.164 2917668.886 5169397.407 597265.0159 1976740.03 4179520.311 7662455.838 5218887.865 1630110.519 2258267.114 6790295.501 8068290.43 2361172.514 1007757.152 4509000.083 4589526.25 1953056.168 2067409.733 5149160.749 7178619.776 1368041.176 2151761.011 3495709.806 192607.8715 2437645.482 2698029.039 4892183.731 6168566.459 1911891.805 2578315.544 2037523.497 8521077.466 2182304.889 2792316.115 TAG 60:12; TAG 16:0-22:6-22:6; [M+NH4]+ 5859552.877 1313527.222 4753492.183 3291487.077 1374389.392 38990.99545 4510262.566 3578814.627 4831276.353 35724.06009 4640333.588 2271449.71 4563894.576 362456.8168 4254664.155 2879653.116 2735226.303 1126652.957 5468604.721 6135429.771 3961352.709 1899352.343 7291942.095 1796423.685 5072902.155 506971.941 2215420.331 4111877.196 2460173.552 1771124.295 4335213.332 2950032.616 3966104.717 146813.0064 2248550.301 1975531.546 5680483.4 795133.7736 3952016.783 3787732.422 1950513.89 555912.3973 3772078.204 2371620.117 TAG 60:11; TAG 18:1-20:4-22:6; [M+NH4]+ 5207725.038 1675298.305 9315681.97 5617338.948 1418298.342 22663.28791 9596965.626 5512924.816 4247896.067 45446.87367 12786735.71 3728576.61 4038036.712 406933.597 11367272.26 4239384.464 4671488.52 1754970.544 12685624.58 7678489.072 3317093.911 2644200.525 15663664.07 3116339.644 4668984.411 762298.5602 7839783.174 8508473.24 2596368.129 2318696.877 11516731.17 4618533.456 3776421.792 170712.4541 9308184.686 4010115.339 5564341.71 1229099.447 9596601.934 6837120.19 1951677.954 1540816.579 9569246.394 4426927.261 TAG 59:3; TAG 23:0-18:1-18:2; [M+NH4]+ 587900.08 547047.3375 618131.0085 767047.8278 434608.6224 139857.1172 527863.3009 738803.5385 539022.1952 310067.0673 533306.8527 767755.8802 595045.1702 447112.0996 525492.0709 706210.1354 717709.4734 556747.7436 662077.8937 783506.4766 491449.3381 649983.4281 546718.3825 524629.9639 572289.6067 648568.3055 551254.4036 667465.0194 562201.5077 770886.7107 572821.9427 676760.5315 511586.7391 336551.154 585580.4634 722547.1401 537794.239 569906.7153 723044.7191 686380.7498 530111.3565 580265.2243 618657.315 680958.8334 TAG 60:12; TAG 18:1-20:5-22:6; [M+Na]+ 5511143.42 1790773.214 6040230.958 4961666.665 2076440.807 90437.80958 5993997.97 5207195.298 4654625.889 160973.902 7311845.889 3515030.606 4848490.978 1027579.008 7038045.498 3748295.486 3553157.785 1569286.913 7492679.258 6071502.857 4453715.83 3070189.355 9738316.146 3311018.058 4650989.046 450912.8848 4565322.203 6031411.533 1079063.292 2067842.95 6470262.404 3779102.894 4330252.537 530222.8385 4310032.853 2946154.72 6591614.576 1163176.057 6452336.232 5782843.477 2148113.854 1740298.15 5819201.198 1909613.432 TAG 60:11; TAG 18:1-20:4-22:6; [M+Na]+ 2741940.701 1364078.951 7030576.077 2088832.755 1150200.816 165131.2222 6196059.937 2349090.42 2931918.631 165120.1777 10998139.47 3250074.085 2671958.355 743466.3821 9848312.075 3339691.791 3411884.634 1381657.037 10288953.35 2536905.756 2939580.563 2708867.501 12135030.93 3139883.106 2622706.798 735589.6447 6640916.142 7214590.474 1583761.912 1940443.203 9187947.074 3901176.32 2425926.905 454872.5153 8389532.782 3494449.738 4324930.677 1008844.849 7031710.795 6296543.354 1344754.267 707678.6139 8013928.981 3353078.445 TAG 60:8; TAG 18:1-20:1-22:6; [M+NH4]+ 1257283.872 1383832.649 1096829.32 1715131.975 665723.805 36615.94658 1170915.045 2224536.95 883701.4555 59987.91856 2129196.192 1469040.177 1222053.23 796549.2368 2060254.621 1913448.584 1916473.231 973726.9773 1746956.97 1169079.338 1189341.171 3051372.916 1994438.303 1043131.977 1113804.431 629876.873 1807930.067 1767239.307 736924.0433 1475246.3 1534490.749 1322630.449 855023.1988 402184.8207 2814296.118 1022185.87 1226155.139 1242906.007 932752.431 2026751.582 569046.279 1716524.493 1632656.574 1317665.119 TAG 60:4; TAG 18:1-24:1-18:2; [M+NH4]+ 1625089.182 1532666.76 331480.0197 404394.5413 250023.6575 16502.51297 254258.7098 641097.4868 1134453.361 26787.0879 283614.3987 534502.1942 1152517.438 123503.011 371806.3064 835937.8508 1729540.958 1407310.933 289592.509 393309.8414 1567853.736 1755334.77 398757.2059 191678.8257 1043554.878 1543700.122 315194.453 290777.2953 1155949.626 2316931.743 204621.4725 395454.7978 768903.3635 55126.36515 461812.4588 505875.5872 1230691.246 1371968.876 287680.04 339463.0562 465258.3271 1692855.549 326067.2235 514197.8464 TAG 60:2; TAG 24:0-18:1-18:1; [M+NH4]+ 1974840.612 2254290.539 656085.6787 523077.2078 167930.834 16320.28219 422457.3793 1012194.642 1423051.869 18247.25062 396369.0806 817891.3936 1596005.549 89603.52703 603580.99 1460522.055 1701023.969 1978784.346 455079.4983 379401.009 1655928.557 2332370.306 665433.7533 284433.7652 1169993.282 1845845.769 533608.9737 452778.325 1136293.776 3073989.272 290812.2043 535162.9793 769094.3136 37723.73702 590569.5763 930828.7302 1608661.086 1761570.195 470472.3457 393640.9035 335800.891 2422204.998 589189.6014 862179.589 TAG 62:14; TAG 18:2-22:6-22:6; [M+NH4]+ 1591239.356 224735.373 721009.6107 499504.474 332161.6572 22880.46921 510157.3814 735699.2318 397197.448 25507.93225 778046.8791 396309.8478 1097444.156 188894.8097 619112.295 673719.1969 674264.4723 257320.1942 762722.817 859997.5862 746170.0723 692974.0608 1319932.179 297516.9661 583605.4034 189366.4276 379792.5338 617897.288 445651.1214 687111.632 761315.5525 356754.6181 772242.2599 94379.65085 348774.3492 271860.546 1449683.683 104812.1515 778511.995 618129.9768 379360.0096 224786.565 495127.3234 417089.6297 TAG 62:13; TAG 18:1-22:6-22:6; [M+NH4]+ 3995711.636 886001.5119 2894611.169 2300492.217 671496.7413 23251.71068 2922360.501 2751774.027 2553291.567 27172.98414 3566203.243 1648867.208 3494897.038 333232.569 2986144.236 2068382.258 2341695.05 633132.268 3621944.67 3443535.856 2476088.682 2300471.503 5190904.178 991358.6145 3536908.048 409012.9001 1752362.399 3212884.838 1412589.659 1657301.878 3128534.408 1536547.757 2736837.939 148280.976 1964811.193 1166603.018 4463806.945 654281.7541 2897472.927 2501941.103 869927.0176 869572.2531 2443667.819 1653290.76 TAG 62:12; TAG 18:1-22:5-22:6; [M+NH4]+ 1493315.689 691028.7768 2228774.784 1876991.377 488085.5324 14742.17059 2185955.324 2191352.88 1246574.569 16784.91219 3156243.166 1380460.47 1558159.487 297892.2057 2814059.531 1600158.518 1703828.298 554371.1306 3182156.499 2153363.861 1430275.457 1646482.374 3864534.935 1016056.37 1460347.557 178463.0076 2046386.076 2488081.842 794475.6431 988398.2526 2725997.192 1451229.575 1282010.261 59189.33471 2555461.371 1118599.027 1792037.174 541874.163 2157901.807 2170555.256 608564.8526 705167.0883 2282562.859 1407575.722 TAG 62:13; TAG 18:1-22:6-22:6; [M+Na]+ 2864114.328 973302.879 3011271.774 2619412.477 955137.3054 105593.0436 2945571.86 3187160.089 2218397.264 95957.05438 4516111.527 2059941.517 3098642.52 781812.0894 3350354.337 2115156.668 2889364.039 782054.8112 3776718.511 2827024.366 2275474.262 3138551.636 5173511.91 1511092.075 2737720.064 515870.8228 2991813.132 3674861.375 1065493.173 1742245.585 3808335.433 1681116.287 2352650.976 515676.0158 2905071.893 1448253.987 4017329.482 748272.7152 2666927.385 3241097.147 1038382.183 1225247.791 3076076.402 2254133.875 TAG 64:13; TAG 18:1-22:6-24:6; [M+NH4]+ 134474.7728 151965.2239 345567.5831 397229.0633 47046.02388 474.1768358 318079.9686 413932.5721 134996.4109 2163.09134 617566.9763 324049.5311 152163.7531 71835.7078 588448.7754 282929.7726 425292.7017 89279.08165 575270.8422 296802.9818 208071.1784 589100.1804 679465.4935 228090.3091 136503.8815 17063.43349 460508.2792 522406.4724 128073.4059 142338.0993 505068.202 259190.7657 112038.9954 11759.55613 699823.792 217513.6488 217074.0332 115301.4634 294523.2765 459014.7594 90005.15929 185934.7494 456298.8633 319046.7991 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet name Formula Mass MW structure retention times Precursor.m.z AdductIon SMILES InChIKey Tryptophan Tryptophan C11H12N2O2 204.0899 37505 0.2679 205.0972 [M+H]+ NC(CC1=CNC2=C1C=CC=C2)C(O)=O QIVBCDIJIAJPQS-UHFFFAOYNA-N Sphingosine 17:1; [M+H]+ 0.7563334 286.2742 [M+H]+ CCCCCCCCCCCCC=CC(O)C(N)CO RBEJCQPPFCKTRZ-BUHFOSPRNA-N Sphinganine 17:0; [M+H]+ 0.8918 288.2899 [M+H]+ CCCCCCCCCCCCCCC(O)C(N)CO KFQUQCFJDMSIJF-UHFFFAOYNA-N LPE 16:0; [M+H]+ LPE(16:0) C21H44NO7P 453.2855 1.464017 454.2927 [M+H]+ CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN YVYMBNSKXOXSKW-UHFFFAOYNA-N LPC 14:0; [M+H]+ LPC(14:0) C22H46NO7P 467.3012 14991 1.219533 468.3077 [M+H]+ CCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C VXUOFDJKYGDUJI-UHFFFAOYNA-N LPE 18:2; [M+H]+ LPE(18:2) C23H44NO7P 477.2855 1.099783 478.2918 [M+H]+ CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN DBHKHNGBVGWQJE-HZJYTTRNNA-N LPC 15:0-SN1; [M+H]+ LPC(15:0) C23H48NO7P 481.3168 1.437033 482.3246 [M+H]+ CCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C RJZVWDTYEWCUAR-UHFFFAOYNA-N Cer-NS d30:1; Cer-NS d18:1/12:0; [M+H]+ Cer(d18:1/12:0) C30H59NO3 481.4495 30563 4.291 482.4559 [M+H]+ CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCC HXFPPRPLRSPNIB-WJTDDFOZNA-N LPC 16:1; [M+H]+ LPC(16:1) C24H48NO7P 493.3168 1.2958 494.324 [M+H]+ CCCCCCC=C/CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C LFUDDCMNKWEORN-KHPPLWFENA-N LPC 16:1-SN1; [M+H]+ LPC(16:1) C24H48NO7P 493.3168 4.736733 494.3234 [M+H]+ CCCCCCC=C/CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C LFUDDCMNKWEORN-KHPPLWFENA-N LPE 20:5; [M+H]+ LPE(20:5) C25H42NO7P 499.2699 1.029483 500.2744 [M+H]+ CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)OCC(O)COP(O)(=O)OCCN KCWGBXXAJHVZNN-JLNKQSITNA-N LPE 20:4; [M+H]+ LPE(20:4) C25H44NO7P 501.2855 1.078517 502.2918 [M+H]+ CCC=C/CC=C/CC=C/CC=C/CCCCCCC(=O)OCC(O)COP(O)(=O)OCCN JPNPIRVRGLGTRE-LTKCOYKYNA-N LPC 17:1-SN1; [M+H]+ 1.479717 508.3391 [M+H]+ CCCCCCCC=C/CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C LPMGFNAQZPADDZ-QXMHVHEDNA-N LPC 18:1e; [M+H]+ LPC(P-18:0)/LPC(O-18:1) C26H54NO6P 507.3689 2.650117 508.3754 [M+H]+ CCCCCCCCC=C/CCCCCCCCOCC(O)COP([O-])(=O)OCC[N+](C)(C)C XWYSLMAMRKYUFH-SEYXRHQNNA-N LPC 18:5-SN1; [M+H]+ 1.029483 514.2897 [M+H]+ CCC=C/CC=C/CC=C/CC=C/CC=C/CC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C JOMZWRMTMYXKKG-WMPRHZDHNA-N LPC 18:3; [M+H]+ LPC(18:3) C26H48NO7P 517.3168 1.231133 518.3235 [M+H]+ CCC=C/CC=C/CC=C/CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C WKQNRCYKYCKESD-QNEBEIHSNA-N LPC 16:0; [M+Na]+ LPC(16:0) C24H50NO7P 495.3325 2.260817 518.3208 [M+Na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er-NS d34:2; Cer-NS d18:1/16:1; [M+H]+ Cer(d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er-NS d40:1; Cer-NS d18:1/22:0; [M+H]+ Cer(d18:1/22:0) C40H79NO3 621.606 30568 8.016383 622.6113 [M+H]+ CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC KEPQASGDXIEOIL-LAPDZXRHNA-N DAG 36:2; DAG 18:1-18:1; [M+NH4]+ 7.3235 638.5698 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/CCCCCCCC AFSHUZFNMVJNKX-CLFAGFIQNA-N Cer-NS d42:2; Cer-NS d18:1/24:1; [M+H]+ Cer(d18:1/24:1) C42H81NO3 647.6216 30569 7.999833 648.6271 [M+H]+ CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCC=C/CCCCCCCCCC HZPUWSUHFOTSAY-AKTWBEBINA-N Cer-NDS d42:1; Cer-NDS d18:0/24:1; [M+H]+ Cer(d18:0/24:1) C42H83NO3 649.6373 30657 8.28975 650.6423 [M+H]+ CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCC=C/CCCCCCCCCC WLDYKNUYRLBSJM-VXPUYCOJNA-N Cer-NS d42:1; Cer-NS d18:1/24:0; [M+H]+ Cer(d18:1/24:0) C42H83NO3 649.6373 30572 8.696 650.6442 [M+H]+ CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC ZJVVOYPTFQEGPH-MHAUTQJVNA-N CE 20:5; [M+NH4]+ CE(20:5) C47H74O2 670.5689 10.55078 688.6011 [M+NH4]+ CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C XZFUGMCJZFRBKF-QXPWYRSVNA-N SM d34:1; SM d18:1/16:0; [M+H]+ SM(d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d35:1; [M+H]+ SM(d35:1) C40H81N2O6P 716.5832 5.44415 717.5856 [M+H]+ CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP([O-])(=O)OCC[N+](C)(C)C)C(O)C=CCCC NZVSGOQOFUVMHA-QOSDPKFLNA-N PC 31:0; [M+H]+ PC(31:0) C39H78NO8P 719.5465 5.6495 720.5532 [M+H]+ CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C WMOFTJILTZIKIH-UHFFFAOYNA-N PE 36:4e; PE 18:2e/18:2; [M+H]+ 5.804633 726.5439 [M+H]+ CCCCCC=C/CC=C/CCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCC=C/CC=C/CCCCC CVFFRLVFXKZVIJ-MAZCIEHSNA-N SM d36:2; [M+H]+ SM(d36:2) C41H81N2O6P 728.5832 5.1383 729.5898 [M+H]+ CCCCCCCC=C/CC=C/CCCCCCCCCCCCCCCC(=O)NC(COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCC MUJBZOYXECUOMF-NFYLBXPENA-N PC 32:2; PC 16:1-16:1; [M+H]+ PC(16:1/16:1) C40H76NO8P 729.5309 5.010617 730.537 [M+H]+ CCCCCCC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCC GPWHCUUIQMGELX-YGGBKCGDNA-N SM d36:1; [M+H]+ SM(d36:1) C41H83N2O6P 730.5989 5.872467 731.6064 [M+H]+ CCCCCCCCCCC=C/CCCCCCCCCCCCCCCC(=O)NC(COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCC CMMXUBGHSNQBNN-ZCXUNETKNA-N PC 32:1; PC 16:0-16:1; [M+H]+ PC(16:0_16:1) C40H78NO8P 731.5465 5.215133 732.5537 [M+H]+ CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCC QIBZFHLFHCIUOT-ZPHPHTNENA-N PC 33:1e; [M+H]+ PC(O-33:1) C41H82NO7P 731.582892 7.359533 732.5834 [M+H]+ CCCCCCCCCCC=C/CCCCCCCCCCCC(=O)OC(COCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C BIYIIIUKWFLDRJ-VXPUYCOJNA-N PC 32:0; PC 16:0-16:0; [M+H]+ 5.991833 734.5685 [M+H]+ CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC KILNVBDSWZSGLL-UHFFFAOYNA-N PE 36:3; [M+H]+ PE(36:3) C41H76NO8P 741.5309 5.377733 742.5412 [M+H]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCC=C/CC=C/CCCCC GKAFCSRKMWFPSJ-RQOIEFAZNA-N PC 33:2; [M+H]+ PC(33:2) C41H78NO8P 743.5465 5.166783 744.5552 [M+H]+ CCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=C/CCCCC DGBYUHHIADYUMU-AKMCNLDWNA-N PC 33:1; PC 15:0-18:1; [M+H]+ PC(15:0_18:1) C41H80NO8P 745.5622 5.708766 746.5698 [M+H]+ CCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC ZEWLMKXMNQOCOQ-MRCUWXFGNA-N PC 33:1(d7); PC 15:0-18:1(d7); [M+H]+ 5.795233 753.6127 [M+H]+ [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O ZEWLMKXMNQOCOQ-GCHPQBSENA-N PC 35:4e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e; [M+H]+ PC(P-36:4)/PC(O-36:5) C44H80NO7P 765.5672 5.7063 766.5746 [M+H]+ CCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC RDKCYWXIOLUDKK-KDPMOZFYNA-N PC 35:4; [M+H]+ PC(35:4) C43H78NO8P 767.5465 5.068033 768.5539 [M+H]+ CCCCCC=C/CC=C/CC=C/CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCC)COP([O-])(=O)OCC[N+](C)(C)C ULLCASTWWOUBJG-USMVDYLDNA-N PC 36:4e; [M+H]+ PC(P-36:3)/PC(O-36:4) C44H82NO7P 767.5829 5.902983 768.5856 [M+H]+ CCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC=C/CC=C/CC=C/CC=C/CC AMIRMXUBGHUMRM-FFSDQCCLNA-N PC 35:2; PC 17:0-18:2; [M+H]+ PC(17:0_18:2) C43H82NO8P 771.5778 5.9308 772.585 [M+H]+ CCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=C/CCCCC ZSKWZJYUVZYDQU-DYMXKLMANA-N PE 40:6e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e; [M+H]+ PC(P-38:5)/PC(O-38:6) C46H82NO7P 791.5829 5.7449 792.5856 [M+H]+ CCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC LYVCXQZOQYYLAM-YQIZYYBANA-N TAG 46:2; TAG 14:0-16:1-16:1; [M+NH4]+ 10.21723 792.7069 [M+NH4]+ CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCC)OC(=O)CCCCCCCC=C/CCCCCC XUEMVUXNOCIHLG-IKJQKJQYNA-N PC 38:5e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e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a]+ 10.2736 823.6766 [M+Na]+ CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCC IWSNEFQVYNGXGZ-XFYMDHNZNA-N PC 39:4; PC 19:0-20:4; [M+H]+ PC(19:0_20:4) C47H86NO8P 823.609107 6.719733 824.6139 [M+H]+ CCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC QUWIPEXOTVGONJ-LGUFLKDENA-N TAG 48:2; TAG 14:0-16:1-18:1; [M+Na]+ 10.71165 825.6934 [M+Na]+ CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCC QABWZGMVIDDGGI-WYERXJFXNA-N TAG 48:1; TAG 14:0-16:0-18:1; [M+Na]+ 11.1205 827.7097 [M+Na]+ CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC GPXZOHHIWJNYTJ-IZHYLOQSNA-N PC 40:9; PC 18:3-22:6; [M+H]+ PC(18:3_22:6) C48H78NO8P 827.5465 4.813183 828.5513 [M+H]+ CCC=C/CC=C/CC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC KQEBTLYBLYIGCO-HRBUQVTHNA-N PC 40:8; PC 20:4-20:4; [M+H]+ PC(20:4/20:4) C48H80NO8P 829.562157 4.835683 830.57 [M+H]+ CCC=C/CC=C/CC=C/CC=C/CCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC BFCSBEFTXQRIOJ-QIURYZFVNA-N PC 40:7; PC 18:1-22:6; [M+H]+ PC(18:1_22:6) C48H82NO8P 831.5778 5.11945 832.5846 [M+H]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC FPEVDFOXMCHLKL-MIIHFGKENA-N TAG 49:3; TAG 15:0-16:1-18:2; [M+NH4]+ 10.57242 832.7379 [M+NH4]+ CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCC CQSXCZMDDSQLAG-SWVFECATNA-N PC 40:6; PC 18:0-22:6; [M+H]+ PC(18:0_22:6) C48H84NO8P 833.5935 5.924333 834.6022 [M+H]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC FAUYAENFVCNTAL-UFTZFNJNNA-N TAG 49:2; TAG 15:0-16:1-18:1; [M+NH4]+ 10.94065 834.7546 [M+NH4]+ CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCC ZSHVDBVWHRXKEV-UOBUJMOANA-N TAG 49:1; TAG 15:0-16:0-18:1; [M+NH4]+ 11.35782 836.7683 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC IVRUJYRTYXTTIH-QPLCGJKRNA-N TAG 50:5; TAG 16:1-16:1-18:3; [M+NH4]+ 10.00263 842.7227 [M+NH4]+ CCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCC AFTBPUXZTDLRSP-BWRFOULENA-N TAG 50:4; TAG 16:1-16:1-18:2; [M+NH4]+ 10.41635 844.7385 [M+NH4]+ CCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCC PVMBAGXWHHZKFP-BGWVPBAENA-N PC 41:7; [M+H]+ PC(41:7) C49H84NO8P 845.5929 5.577667 846.5965 [M+H]+ CCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC GKHMELDSWOWFNM-OHAVAYCYNA-N TAG 50:3; TAG 16:1-16:1-18:1; [M+NH4]+ 10.77597 846.754 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCC)OC(=O)CCCCCCCC=C/CCCCCC UFHNZOACKFBCOM-ULXWNTFBNA-N TAG 50:2; TAG 16:0-16:1-18:1; [M+NH4]+ 11.1747 848.7692 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCC TWJCMQZMAPGUSG-BIDHIOHYNA-N TAG 50:1; TAG 16:0-16:0-18:1; [M+NH4]+ 11.5242 850.7853 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC YHMDGPZOSGBQRH-QPLCGJKRNA-N TAG 50:0; TAG 16:0-16:0-18:0; [M+NH4]+ 11.5441 852.7928 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC DQKMNCLZNGAXNX-UHFFFAOYNA-N TAG 50:2; TAG 16:0-16:1-18:1; [M+Na]+ 11.1517 853.7249 [M+Na]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCC TWJCMQZMAPGUSG-BIDHIOHYNA-N TAG 50:1; TAG 16:0-16:0-18:1; [M+Na]+ 11.54983 855.7399 [M+Na]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC YHMDGPZOSGBQRH-QPLCGJKRNA-N TAG 50:0; TAG 16:0-16:0-18:0; [M+Na]+ 11.2232 857.7582 [M+Na]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC DQKMNCLZNGAXNX-UHFFFAOYNA-N PC 42:8; PC 20:3-22:5; [M+H]+ PC(20:3_22:5) C50H84NO8P 857.593457 4.92265 858.5874 [M+H]+ CCC=C/CC=C/CC=C/CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC JCZOXJJXTZMLHT-KBNKHNLLNA-N TAG 51:4; TAG 16:1-17:1-18:2; [M+NH4]+ 10.6333 858.7545 [M+NH4]+ CCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCC)COC(=O)CCCCCCCC=C/CC=C/CCCCC LJSWNLLJRASQSC-AUOINHTKNA-N TAG 51:4; TAG 15:1-18:1-18:2; [M+NH4]+ 11.25317 858.7642 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCC)COC(=O)CCCCCCCC=C/CC=C/CCCCC JHMHYYIDGDQQFH-DSZOASMONA-N PC 42:7; [M+H]+ PC(42:7) C50H86NO8P 859.6091 5.945633 860.6152 [M+H]+ CCCCCC=C/CC=C/CC=C/CCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC YQVGASZTROXHGR-XBINOJCANA-N TAG 51:3; TAG 15:0-18:1-18:2; [M+NH4]+ 11.01708 860.77 [M+NH4]+ CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC AFUGNQFGFOCTMS-FBSASISJNA-N TAG 51:2; TAG 16:0-17:1-18:1; [M+NH4]+ 11.396 862.7853 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCC QLIUVBJPQMDRHV-IFNXDHGUNA-N TAG 51:1; TAG 16:0-17:0-18:1; [M+NH4]+ 11.71277 864.8 [M+NH4]+ CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC RHDRMOUSDQDVCE-RFBIWTDZNA-N TAG 52:6; TAG 16:1-18:2-18:3; [M+NH4]+ 10.15857 868.7369 [M+NH4]+ CCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC NOOJQDXMGLPOOA-SHCTYRPRNA-N TAG 52:5; TAG 16:0-18:2-18:3; [M+NH4]+ 10.50683 870.7531 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC MVAGPZSVOSGBMR-NTBFVYIFNA-N TAG 52:4; TAG 16:1-18:1-18:2; [M+NH4]+ 10.84683 872.7695 [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]+ 11.2719 874.7861 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC KGLAHZTWGPHKFF-FBSASISJNA-N PI 36:4; [M+NH4]+ PI(36:4) C45H79O13P 858.5258 4.110567 876.5579 [M+NH4]+ CCCCCCCCCC(=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 XBRXODRRBPUJTR-XWVIRPHINA-N TAG 52:2; TAG 16:0-18:1-18:1; [M+NH4]+ 11.59265 876.8029 [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]+ 11.66313 878.806 [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 4.290184 883.5289 [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 TAG 53:5; TAG 17:1-18:1-18:3; [M+NH4]+ 10.71463 884.7692 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCCC)COC(=O)CCCCCCCC=C/CC=C/CC=C/CC PGBGUWBYYROWIR-GYJZPJDZNA-N TAG 53:4; TAG 17:1-18:1-18:2; [M+NH4]+ 11.05957 886.7849 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCCC)COC(=O)CCCCCCCC=C/CC=C/CCCCC VESVDAJIPQIOEH-SWVQGCAJNA-N TAG 53:3; TAG 17:1-18:1-18:1; [M+NH4]+ 11.43125 888.8004 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC ZNQBEJJYVJSZLM-NRRKBIGSNA-N TAG 53:2; TAG 16:0-18:1-19:1; [M+NH4]+ 11.71663 890.8173 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC IDUAWMUEKRFTEE-UKDOXLPINA-N TAG 54:2e; TAG 18:0e-18:1-18:1; [M+NH4]+ 12.0027 890.851 [M+NH4]+ CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC OJWXCNKRIMWLSH-MIFGFRIJNA-N TAG 54:8; TAG 16:1-16:1-22:6; [M+NH4]+ 10.01023 892.7385 [M+NH4]+ CCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCC JJKLAPRFAPRJOG-LAIDNFFLNA-N TAG 53:1; TAG 17:0-18:0-18:1; [M+NH4]+ 11.74818 892.829 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC CTYHEFNQFHZLTL-FVDSYPCUNA-N TAG 54:6; TAG 18:2-18:2-18:2; [M+NH4]+ 10.63962 896.7684 [M+NH4]+ CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC HBOQXIRUPVQLKX-BBWANDEASA-N TAG 54:5; TAG 18:1-18:2-18:2; [M+NH4]+ 10.95367 898.7847 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC VVEBTVMJPTZDHO-WECKWCTPNA-N TAG 54:4; TAG 18:1-18:1-18:2; [M+NH4]+ 11.31488 900.8004 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC JTMWOTXEVWLTTO-KTKRTRQNNA-N SM d49:7; SM d17:2/32:5; [M+H]+ 5.7978 901.6987 [M+H]+ CCCCCCCCC=CCCC=CC(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC ITLUDPAYUYFFAZ-IJSQYBHYNA-N TAG 54:6; TAG 18:1-18:2-18:3; [M+Na]+ 10.62915 901.7243 [M+Na]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC OTUIORVXGJUHBH-QSVDUOTDNA-N PI 38:5; [M+NH4]+ PI(38:5) C47H81O13P 884.5415 4.1896 902.5758 [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]+ 11.64117 902.8157 [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 4.619933 904.5911 [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]+ 11.77647 904.8316 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC RYNHWWNZNIGDAQ-CDAVXRBQNA-N TAG 54:1; TAG 18:0-18:0-18:1; [M+NH4]+ 11.90418 906.8449 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC YFFIQXNTTVSKJC-FVDSYPCUNA-N SM d50:11; [M+H]+ 4.782533 907.6517 [M+H]+ CCCCCC(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC CKRHAQWTXPTKKM-FQZVRDRENA-N TAG 55:7; TAG 16:0-17:1-22:6; [M+NH4]+ 10.68382 908.7691 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCC ASHYPKAQBLSNHV-KBPATUDGNA-N TAG 55:6; TAG 17:1-18:1-20:4; [M+NH4]+ 10.90102 910.783 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCCC)COC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC VESIATIIORKRNI-KEPULHKTNA-N TAG 56:9; TAG 16:1-18:2-22:6; [M+NH4]+ 10.1433 918.7534 [M+NH4]+ CCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC NPWRXJYSKONMPV-IJGJWFDLNA-N TAG 56:8; TAG 16:0-18:2-22:6; [M+NH4]+ 10.54913 920.7692 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC RDZINTYLBOTMAU-BUNKRMPENA-N TAG 56:6; TAG 16:0-18:1-22:5; [M+NH4]+ 11.05148 924.7974 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCCC PIUUVQYTIKPYIJ-OKBSSIGONA-N TAG 56:5; TAG 18:1-18:1-20:3; [M+NH4]+ 11.42922 926.8149 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCCC XSHMZQHXHKCIMM-ZDJKFXHENA-N PI 40:6; [M+NH4]+ PI(40:6) C49H83O13P 910.5571 4.557983 928.588 [M+NH4]+ CCCC=C/CC=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 KEVXBWUKDZIWFL-FEAYMNSJNA-N TAG 56:3; TAG 18:1-18:1-20:1; [M+NH4]+ 11.80895 930.8472 [M+NH4]+ CCCCCCCCC=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC QXMHHXQBBKDSSL-DCKNSECYNA-N TAG 56:5; TAG 18:0-18:1-20:4; [M+Na]+ 11.3909 931.7705 [M+Na]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCCC NMOSKFDAUMPINK-JBKRRXNUNA-N PI 40:6; [M+Na]+ PI(40:6) C49H83O13P 910.5571 4.5038 933.5421 [M+Na]+ CCCC=C/CC=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 KEVXBWUKDZIWFL-FEAYMNSJNA-N TAG 56:4; TAG 18:1-20:1-18:2; [M+Na]+ 11.70287 933.7872 [M+Na]+ CCCCCCCCC=C/CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC YONCDTJKIZDSKQ-JALPFGDRNA-N TAG 57:8; TAG 17:1-18:1-22:6; [M+NH4]+ 10.72827 934.7842 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCCC)COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC TWPMXRLUNBRLHZ-CCYJWLCNNA-N TAG 58:10; TAG 18:2-18:2-22:6; [M+NH4]+ 10.26948 944.7709 [M+NH4]+ CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC YNVHIDISXOPRLL-HQQFMMERNA-N TAG 57:3; TAG 21:0-18:1-18:2; [M+NH4]+ 11.66435 944.8625 [M+NH4]+ CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC XKWTZMNXXIXWRE-FJJHRSLENA-N TAG 58:9; TAG 18:1-18:2-22:6; [M+NH4]+ 10.63692 946.7838 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CC=C/CCCCC RLAPDVQGJNAHOC-IPTWROKLNA-N SM d53:12; SM d11:1/42:11; [M+H]+ 4.95615 947.6819 [M+H]+ CCCCCCC=CC(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC DNYDCAKDHCEVMY-XBIRETKNNA-N TAG 58:8; TAG 18:1-18:1-22:6; [M+NH4]+ 11.00652 948.8002 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCCC QFVBKJOYLFHVKV-DNVUEQEENA-N TAG 58:7; TAG 18:0-18:1-22:6; [M+NH4]+ 11.35308 950.8151 [M+NH4]+ CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCCC GPPIWOJDFFGJMA-GYGDYXAYNA-N TAG 58:6; TAG 18:1-18:1-22:4; [M+NH4]+ 11.47405 952.832 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCCC=C/CCCCCCCC MLZUUSCOTWOREA-BMQZPGLHNA-N TAG 58:5; TAG 18:1-20:1-20:3; [M+NH4]+ 11.71783 954.8461 [M+NH4]+ CCCCCCCCC=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=C/CC=C/CC=C/CC)COC(=O)CCCCCCCC=C/CCCCCCCC IYRSYQMNHHHXKD-GIBDDNKRNA-N TAG 58:4; TAG 18:1-22:1-18:2; [M+NH4]+ 11.85008 956.8617 [M+NH4]+ CCCCCCCCC=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC ZIRJXTDTRZMNMW-KPAPURHWNA-N TAG 58:3; TAG 22:0-18:1-18:2; [M+NH4]+ 11.91837 958.8786 [M+NH4]+ CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC POBQACNRSDFLSN-LBXZNQFPNA-N TAG 60:12; TAG 16:0-22:6-22:6; [M+NH4]+ 10.14635 968.7685 [M+NH4]+ CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC VLEDHTUUVAXNOJ-QPPLYHLQNA-N TAG 60:11; TAG 18:1-20:4-22:6; [M+NH4]+ 10.5031 970.785 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC YDCWNPRKDZMBHL-HLTHBUFLNA-N TAG 59:3; TAG 23:0-18:1-18:2; [M+NH4]+ 11.66027 972.8929 [M+NH4]+ CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC LGHLSIYDMLBMTO-YZZKHVMMNA-N TAG 60:12; TAG 18:1-20:5-22:6; [M+Na]+ 10.13217 973.7246 [M+Na]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CC=C/CC NZLVRFDQKNFKNY-FKNBEOGKNA-N TAG 60:11; TAG 18:1-20:4-22:6; [M+Na]+ 10.4591 975.7404 [M+Na]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC YDCWNPRKDZMBHL-HLTHBUFLNA-N TAG 60:8; TAG 18:1-20:1-22:6; [M+NH4]+ 11.38852 976.8308 [M+NH4]+ CCCCCCCCC=C/CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=C/CCCCCCCC)COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC YNFNQTHMVAZPPY-IIVOVORNNA-N TAG 60:4; TAG 18:1-24:1-18:2; [M+NH4]+ 11.97142 984.8925 [M+NH4]+ CCCCCCCCCCC=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC XZAGSBKJZPKPEY-YFNLZEDVNA-N TAG 60:2; TAG 24:0-18:1-18:1; [M+NH4]+ 11.84402 988.9211 [M+NH4]+ CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC OZGHAUBMNCOWIH-NNBGLWHGNA-N TAG 62:14; TAG 18:2-22:6-22:6; [M+NH4]+ 9.917933 992.7667 [M+NH4]+ CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC NVRVRYSEUZDNFH-KXCMKCIENA-N TAG 62:13; TAG 18:1-22:6-22:6; [M+NH4]+ 10.32498 994.7845 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC PTACBPKQWASVGS-KTSKQPPBNA-N TAG 62:12; TAG 18:1-22:5-22:6; [M+NH4]+ 10.5565 996.8005 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCCCCC=C/CC=C/CC=C/CC=C/CC=C/CC QUWRGMOSPKXQJN-TWVMVRATNA-N TAG 62:13; TAG 18:1-22:6-22:6; [M+Na]+ 10.31183 999.7405 [M+Na]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC PTACBPKQWASVGS-KTSKQPPBNA-N TAG 64:13; TAG 18:1-22:6-24:6; [M+NH4]+ 10.62915 1022.813 [M+NH4]+ CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC LMIKJRCXXGIAGW-HVSMFVQLNA-N METABOLITES_END #END