{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001336","ANALYSIS_ID":"AN002229","VERSION":"1","CREATED_ON":"March 31, 2020, 3:18 pm"},

"PROJECT":{"PROJECT_TITLE":"Effect of high-fat diet and bile acid treatment on serum and tissue lipidomes in mice","PROJECT_SUMMARY":"We analyzed mouse serum and esophageal tissue samples from a mouse dietary intervention experiment. Briefly, C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed High-fat diet (HFD), 0.2% deoxycholic acid (DCA) in drinking water, both, or left as control for 9 months. The two treatments were selected to demonstrate the ability of lipidomics to detect gross changes induced by HFD in the serum and tissue lipidomes, as well as specific/minor changes induced by the secondary bile acid (DCA) through regulation of liver lipid metabolism. The serum and tissue samples were analyzed using targeted and untargeted lipidomics methods. The targeted serum lipidomics data has previously been uploaded as part of study ST001323.","INSTITUTE":"QIMR Berghofer Medical Research Institute","DEPARTMENT":"Precision & Systems Biomedicine","LAST_NAME":"Molendijk","FIRST_NAME":"Jeffrey","ADDRESS":"300 Herston Road, Herston, QLD, 4006, Australia","EMAIL":"jeffrey.molendijk@qimrberghofer.edu.au","PHONE":"+61738453992"},

"STUDY":{"STUDY_TITLE":"Effect of high-fat diet and bile acid treatment on serum and tissue lipidomes in mice","STUDY_SUMMARY":"We analyzed mouse serum and esophageal tissue samples from a mouse dietary intervention experiment. Briefly, C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed High-fat diet (HFD), 0.2% deoxycholic acid (DCA) in drinking water, both, or left as control for 9 months. For quality control,TQC samples and blanks were also included in the analysis. The two treatments were selected to demonstrate the ability of lipidomics to detect gross changes induced by HFD in the serum and tissue lipidomes, as well as specific/minor changes induced by the secondary bile acid (DCA) through regulation of liver lipid metabolism. The serum and tissue samples were analyzed using targeted and untargeted lipidomics methods. The targeted serum lipidomics data has previously been uploaded as part of study ST001323.","INSTITUTE":"QIMR Berghofer Medical Research Institute","LAST_NAME":"Molendijk","FIRST_NAME":"Jeffrey","ADDRESS":"300 Herston Road, Herston, QLD, 4006, Australia","EMAIL":"jeffrey.molendijk@qimrberghofer.edu.au","PHONE":"+61738453992"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"F1_1A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_1A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_2A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_2A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_3A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_3A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_4A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_4A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_5A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_5A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_6A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_6A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_7A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_7A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_8A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_8A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_9A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_9A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_10A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_10A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_11A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_11A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_1B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_1B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_2B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_2B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_3B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_3B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_4B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_4B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_5B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_5B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_6B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_6B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_7B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_7B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_8B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_8B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_9B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_9B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_10B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_10B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_11B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_11B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_1C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_1C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_2C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_2C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_3C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_3C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_4C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_4C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_5C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_5C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_6C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_6C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_7C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_7C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_8C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_8C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_9C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_9C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_10C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_10C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_11C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_11C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_1D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_1D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_2D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_2D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_3D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_3D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_4D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_4D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_5D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_5D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_6D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_6D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_7D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_7D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_8D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_8D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_9D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_9D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_10D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_10D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F1_11D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F1_11D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_1A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_1A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_2A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_2A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_3A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_3A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_4A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_4A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_5A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_5A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_6A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_6A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_7A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_7A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_8A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_8A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_9A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_9A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_10A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_10A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_11A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_11A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_1B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_1B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_2B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_2B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_3B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_3B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_4B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_4B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_5B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_5B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_6B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_6B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_7B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_7B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_8B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_8B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_9B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_9B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_10B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_10B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_11B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_11B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_1C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_1C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_2C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_2C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_3C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_3C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_4C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_4C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_5C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_5C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_6C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_6C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_7C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_7C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_8C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_8C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_9C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_9C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_10C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_10C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_11C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_11C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_1D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_1D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_2D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_2D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_3D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_3D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_4D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_4D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_5D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_5D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_6D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_6D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_7D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_7D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_8D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_8D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_9D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_9D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_10D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_10D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"F2_11D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"F2_11D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_1A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_1A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_2A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_2A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_3A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_3A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_4A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_4A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_5A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_5A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_6A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_6A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_7A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_7A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_8A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_8A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_9A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_9A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_10A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_10A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_11A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_11A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_1B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_1B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_2B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_2B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_3B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_3B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_4B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_4B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_5B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_5B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_6B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_6B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_7B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_7B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_8B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_8B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_9B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_9B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_10B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_10B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_11B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_11B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_1C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_1C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_2C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_2C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_3C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_3C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_4C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_4C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_5C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_5C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_6C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_6C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_7C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_7C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_8C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_8C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_9C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_9C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_10C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_10C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_11C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_11C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_1D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_1D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_2D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_2D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_3D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_3D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_4D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_4D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_5D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_5D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_6D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_6D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_7D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_7D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_8D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_8D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_9D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_9D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_10D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_10D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"A1_11D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Targeted","RAW_FILE_NAME":"A1_11D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_1A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_1A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_2A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_2A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_3A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_3A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_4A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_4A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_5A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_5A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_6A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_6A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_7A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_7A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_8A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_8A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_9A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_9A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_10A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_10A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_11A1",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_11A1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_1B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_1B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_2B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_2B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_3B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_3B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_4B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_4B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_5B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_5B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_6B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_6B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_7B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_7B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_8B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_8B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_9B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_9B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_10B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_10B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_11B1",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_11B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_1C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_1C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_2C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_2C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_3C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_3C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_4C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_4C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_5C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_5C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_6C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_6C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_7C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_7C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_8C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_8C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_9C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_9C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_10C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_10C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_11C1",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_11C1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_1D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_1D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_2D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_2D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_3D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_3D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_4D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_4D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_5D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_5D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_6D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_6D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_7D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_7D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_8D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_8D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_9D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_9D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_10D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_10D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"TU_11D1",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Tissue_Untargeted","RAW_FILE_NAME":"QTOFPOS_MS_11D1.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_1A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S1A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_2A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S2A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_3A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S3A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_4A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S4A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_5A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S5A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_6A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S6A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_7A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S7A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_8A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S8A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_9A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S9A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_10A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S10A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_11A",
"Factors":{"Diet":"Normal","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S11A.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_1B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S1B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_2B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S2B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_3B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S3B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_4B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S4B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_5B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S5B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_6B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S6B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_7B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S7B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_8B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S8B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_9B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S9B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_10B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S10B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_11B",
"Factors":{"Diet":"Normal","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S11B.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_1C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S1C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_2C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S2C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_3C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S3C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_4C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S4C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_5C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S5C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_6C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S6C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_7C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S7C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_8C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S8C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_9C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S9C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_10C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S10C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_11C",
"Factors":{"Diet":"HighFat","BileAcid":"water"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S11C.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_1D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S1D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_2D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S2D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_3D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S3D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_4D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S4D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_5D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S5D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_6D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S6D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_7D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S7D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_8D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S8D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_9D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S9D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_10D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S10D.d"}
},
{
"Subject ID":"-",
"Sample ID":"SU_11D",
"Factors":{"Diet":"HighFat","BileAcid":"DCA"},
"Additional sample data":{"Analysis":"Serum_Untargeted","RAW_FILE_NAME":"POS_S11D.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing 50 µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute, thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a Grant XUB18 bath sonicator. Tissue wet weight was determined using a Mettler-Toledo XS105 balance (Mettler-Toledo, Melbourne, Australia). Biopsies were transferred to Eppendorf tubes containing 500 µL ice-cold methanol, 50 µg/ml BHT and one steel bead and homogenized in a TissueLyzer LT (Qiagen, Melbourne, Australia) for six minutes at 50 Hz. Homogenate was transferred to new tubes and the original tube was washed with 400 µL methanol and transferred. Samples were dried down under nitrogen flow and resuspended in 20 µL water and 200 µL methanol (50 µg/ml BHT). Samples were homogenized by three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute, thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard (10 µL) and Cer/Sph mixture II (10 µL) internal standards mixes from Avanti Polar Lipids were then added to each sample. After overnight incubation at -30°C, 750 µL MTBE was added and each tube was vortex mixed for 10 seconds and shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 µL) was then added, and the tube was vortex mixed for 30 seconds to form a biphasic separation. After centrifuging for 15 minutes at 15,000 × g, 700 µL of the clear upper phase containing lipids in MTBE was transferred to another tube and dried down using a gentle stream of nitrogen. After drying down of lipid extracts were resuspended in 50 µL methanol (containing 50 µg/mL BHT)/toluene (90/10%, v/v).","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed High-fat diet (HFD), 1% deoxycholic acid (DCA) in drinking water, both, or left as control for 9 months. The two treatments were selected to demonstrate the ability of lipidomics to detect gross changes induced by HFD in the serum lipidome, as well as specific/minor changes induced by the secondary bile acid (DCA) through regulation of liver lipid metabolism."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing 50 µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute, thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a Grant XUB18 bath sonicator. Tissue wet weight was determined using a Mettler-Toledo XS105 balance (Mettler-Toledo, Melbourne, Australia). Biopsies were transferred to Eppendorf tubes containing 500 µL ice-cold methanol, 50 µg/ml BHT and one steel bead and homogenized in a TissueLyzer LT (Qiagen, Melbourne, Australia) for six minutes at 50 Hz. Homogenate was transferred to new tubes and the original tube was washed with 400 µL methanol and transferred. Samples were dried down under nitrogen flow and resuspended in 20 µL water and 200 µL methanol (50 µg/ml BHT). Samples were homogenized by three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute, thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard (10 µL) and Cer/Sph mixture II (10 µL) internal standards mixes from Avanti Polar Lipids were then added to each sample. After overnight incubation at -30°C, 750 µL MTBE was added and each tube was vortex mixed for 10 seconds and shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 µL) was then added, and the tube was vortex mixed for 30 seconds to form a biphasic separation. After centrifuging for 15 minutes at 15,000 × g, 700 µL of the clear upper phase containing lipids in MTBE was transferred to another tube and dried down using a gentle stream of nitrogen. After drying down of lipid extracts were resuspended in 50 µL methanol (containing 50 µg/mL BHT)/toluene (90/10%, v/v).","PROCESSING_STORAGE_CONDITIONS":"On ice"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity II","COLUMN_NAME":"Agilent ZORBAX RRHD Eclipse Plus C18, 2.1 x 50 mm, 1.8 µm"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Agilent 6550 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"-"},

"MS_METABOLITE_DATA":{
"Units":"Count",

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DAG 18:2-18:3; [M+NH4]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"5.696317","Precursor.m.z":"632.5228","AdductIon":"[M+NH4]+","SMILES":"CCCCCC=C/CC=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/CC=C/CC=C/CC","InChIKey":"PGXBELQFNRPKBC-DYXXURTGNA-N"},{"Metabolite":"DAG 36:2; DAG 18:1-18:1; [M+NH4]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"7.4072","Precursor.m.z":"638.571","AdductIon":"[M+NH4]+","SMILES":"CCCCCCCCC=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/CCCCCCCC","InChIKey":"AFSHUZFNMVJNKX-CLFAGFIQNA-N"},{"Metabolite":"LPC 28:1-SN1; [M+H]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"4.818233","Precursor.m.z":"662.5093","AdductIon":"[M+H]+","SMILES":"CCCCCCCCCCC=C/CCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC[N+](C)(C)C","InChIKey":"UKVNGEBYOOQIDB-PFONDFGANA-N"},{"Metabolite":"PE 32:2e; PE 16:1e/16:1; [M+H]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"5.456583","Precursor.m.z":"674.5103","AdductIon":"[M+H]+","SMILES":"CCCCCCC=C/CCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCC=C/CCCCCC","InChIKey":"LXPNPYVUDOMVDN-VMNXYWKNNA-N"},{"Metabolite":"PC 30:1e; [M+H]+","RefMet name":"PC(P-30:0)/PC(O-30:1)","Formula":"C38H76NO7P","Mass":"689.5359","MW structure":"","retention times":"5.3933","Precursor.m.z":"690.5417","AdductIon":"[M+H]+","SMILES":"CCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=C/CCCCCCCC","InChIKey":"CNXQXEMKYGYFSY-ZCXUNETKNA-N"},{"Metabolite":"HexCer-NS d34:2; HexCer-NS d18:1/16:1; [M+H]+","RefMet name":"HexCer(d18:1/16:1)","Formula":"C40H75NO8","Mass":"697.5493","MW structure":"","retention times":"4.762717","Precursor.m.z":"698.5541","AdductIon":"[M+H]+","SMILES":"CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCC=C/CCCCCC","InChIKey":"YRNLHUQENKOSRP-WGSUTADTNA-N"},{"Metabolite":"SM d34:2; [M+H]+","RefMet name":"SM(d34:2)","Formula":"C39H77N2O6P","Mass":"700.5519","MW structure":"","retention times":"4.426317","Precursor.m.z":"701.5583","AdductIon":"[M+H]+","SMILES":"CCCCCCCC=C/CC=C/CCCCCCCCCCCCCC(=O)NC(COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCC","InChIKey":"YRLHWLLUJAPBIQ-NFYLBXPENA-N"},{"Metabolite":"SM t33:2; [M+H]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"8.525217","Precursor.m.z":"703.5277","AdductIon":"[M+H]+","SMILES":"CCCCCCCCCC=CCCCC(O)C(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=C/CCCCC","InChIKey":"QKODZWUIZRLQFN-XNYJDNTINA-N"},{"Metabolite":"PC 30:1; PC 12:0-18:1; [M+H]+","RefMet name":"PC(12:0_18:1)","Formula":"C38H74NO8P","Mass":"703.515207","MW structure":"","retention times":"1.01125","Precursor.m.z":"704.5134","AdductIon":"[M+H]+","SMILES":"CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC","InChIKey":"LPUZRKCOBURCPA-HNENSFHCNA-N"},{"Metabolite":"PC 32:1e; [M+H]+","RefMet name":"PC(P-32:0)/PC(O-32:1)","Formula":"C40H80NO7P","Mass":"717.5672","MW structure":"","retention times":"6.195283","Precursor.m.z":"718.5727","AdductIon":"[M+H]+","SMILES":"CCCCCCCCCCC=C/CCCCCCCCCCCC(=O)OC(COCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C","InChIKey":"LQQMWURSSDKNHJ-VXPUYCOJNA-N"},{"Metabolite":"PE 36:4e; PE 16:2e/20:2; [M+H]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"5.5218","Precursor.m.z":"726.5353","AdductIon":"[M+H]+","SMILES":"CCCCCC=C/CC=C/CCCCCCCCCC(=O)OC(COCCCCCCCCC=C/CC=C/CCC)COP(O)(=O)OCCN","InChIKey":"RZTJAGWTWPGSOF-XUFHYYMQNA-N"},{"Metabolite":"PE 36:3e; PE 18:1e/18:2; [M+H]+","RefMet name":"","Formula":"","Mass":"","MW structure":"","retention times":"6.270817","Precursor.m.z":"728.5574","AdductIon":"[M+H]+","SMILES":"CCCCCCCCC=C/CCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCC=C/CC=C/CCCCC","InChIKey":"ZFMJJVQJMOVKIB-RQOIEFAZNA-N"},{"Metabolite":"PC 33:3; PC 15:1-18:2; [M+H]+","RefMet name":"PC(15:1_18:2)","Formula":"C41H76NO8P","Mass":"741.530857","MW structure":"","retention times":"5.325716","Precursor.m.z":"742.5413","AdductIon":"[M+H]+","SMILES":"CCCCCC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=C/CCCCC","InChIKey":"AZXQLWBKLPGTHN-ODLHTLLCNA-N"},{"Metabolite":"PC 34:2; [M+H]+","RefMet name":"PC(34:2)","Formula":"C42H80NO8P","Mass":"757.5622","MW structure":"","retention times":"5.3217","Precursor.m.z":"758.5767","AdductIon":"[M+H]+","SMILES":"CCCCCCCC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCC","InChIKey":"RXPVDHQFHIMZPN-AUYXYSRINA-N"},{"Metabolite":"PC 34:1; PC 16:0-18:1; [M+H]+","RefMet name":"PC(16:0_18:1)","Formula":"C42H82NO8P","Mass":"759.5778","MW structure":"","retention times":"5.919767","Precursor.m.z":"760.5905","AdductIon":"[M+H]+","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC","InChIKey":"WTJKGGKOPKCXLL-MRCUWXFGNA-N"},{"Metabolite":"PC 35:5; PC 15:1-20:4; [M+H]+","RefMet name":"PC(15:1_20:4)","Formula":"C43H76NO8P","Mass":"765.530857","MW structure":"","retention times":"5.173817","Precursor.m.z":"766.5462","AdductIon":"[M+H]+","SMILES":"CCCCCC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=C/CC=C/CC=C/CC=C/CC","InChIKey":"YXUHPBKHVPLAEX-GWBGNZKTNA-N"},{"Metabolite":"PC 36:2e; [M+H]+","RefMet name":"PC(P-36:1)/PC(O-36:2)","Formula":"C44H86NO7P","Mass":"771.6142","MW structure":"","retention times":"7.276933","Precursor.m.z":"772.6192","AdductIon":"[M+H]+","SMILES":"CCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC=C/CC=C/CCCCCCC","InChIKey":"MFLNWJCWDLDCLH-LTXDKZCQNA-N"},{"Metabolite":"PC 36:6; [M+H]+","RefMet name":"PC(36:6)","Formula":"C44H76NO8P","Mass":"777.5309","MW structure":"","retention times":"4.426167","Precursor.m.z":"778.5364","AdductIon":"[M+H]+","SMILES":"CCC=C/CC=C/CC=C/CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=C/CC=C/CC","InChIKey":"XXKFQTJOJZELMD-RSLAUBRINA-N"},{"Metabolite":"PC 36:2; 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}

}