#METABOLOMICS WORKBENCH jeffreymolendijk_20200326_144715 DATATRACK_ID:1956 STUDY_ID:ST001336 ANALYSIS_ID:AN002226 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	March 31, 2020, 3:18 pm
#PROJECT
PR:PROJECT_TITLE                 	Effect of high-fat diet and bile acid treatment on serum and tissue lipidomes in
PR:PROJECT_TITLE                 	mice
PR:PROJECT_SUMMARY               	We analyzed mouse serum and esophageal tissue samples from a mouse dietary
PR:PROJECT_SUMMARY               	intervention experiment. Briefly, C57BL/6 mice (n=44) were divided into 4 groups
PR:PROJECT_SUMMARY               	(n=11 per group) and fed High-fat diet (HFD), 0.2% deoxycholic acid (DCA) in
PR:PROJECT_SUMMARY               	drinking water, both, or left as control for 9 months. The two treatments were
PR:PROJECT_SUMMARY               	selected to demonstrate the ability of lipidomics to detect gross changes
PR:PROJECT_SUMMARY               	induced by HFD in the serum and tissue lipidomes, as well as specific/minor
PR:PROJECT_SUMMARY               	changes induced by the secondary bile acid (DCA) through regulation of liver
PR:PROJECT_SUMMARY               	lipid metabolism. The serum and tissue samples were analyzed using targeted and
PR:PROJECT_SUMMARY               	untargeted lipidomics methods. The targeted serum lipidomics data has previously
PR:PROJECT_SUMMARY               	been uploaded as part of study ST001323.
PR:INSTITUTE                     	QIMR Berghofer Medical Research Institute
PR:DEPARTMENT                    	Precision & Systems Biomedicine
PR:LAST_NAME                     	Molendijk
PR:FIRST_NAME                    	Jeffrey
PR:ADDRESS                       	300 Herston Road, Herston, QLD, 4006, Australia
PR:EMAIL                         	jeffrey.molendijk@qimrberghofer.edu.au
PR:PHONE                         	+61738453992
#STUDY
ST:STUDY_TITLE                   	Effect of high-fat diet and bile acid treatment on serum and tissue lipidomes in
ST:STUDY_TITLE                   	mice
ST:STUDY_SUMMARY                 	We analyzed mouse serum and esophageal tissue samples from a mouse dietary
ST:STUDY_SUMMARY                 	intervention experiment. Briefly, C57BL/6 mice (n=44) were divided into 4 groups
ST:STUDY_SUMMARY                 	(n=11 per group) and fed High-fat diet (HFD), 0.2% deoxycholic acid (DCA) in
ST:STUDY_SUMMARY                 	drinking water, both, or left as control for 9 months. For quality control,TQC
ST:STUDY_SUMMARY                 	samples and blanks were also included in the analysis. The two treatments were
ST:STUDY_SUMMARY                 	selected to demonstrate the ability of lipidomics to detect gross changes
ST:STUDY_SUMMARY                 	induced by HFD in the serum and tissue lipidomes, as well as specific/minor
ST:STUDY_SUMMARY                 	changes induced by the secondary bile acid (DCA) through regulation of liver
ST:STUDY_SUMMARY                 	lipid metabolism. The serum and tissue samples were analyzed using targeted and
ST:STUDY_SUMMARY                 	untargeted lipidomics methods. The targeted serum lipidomics data has previously
ST:STUDY_SUMMARY                 	been uploaded as part of study ST001323.
ST:INSTITUTE                     	QIMR Berghofer Medical Research Institute
ST:LAST_NAME                     	Molendijk
ST:FIRST_NAME                    	Jeffrey
ST:ADDRESS                       	300 Herston Road, Herston, QLD, 4006, Australia
ST:EMAIL                         	jeffrey.molendijk@qimrberghofer.edu.au
ST:PHONE                         	+61738453992
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	F1_1A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_2A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_3A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_4A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_5A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_6A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_7A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_8A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_9A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_10A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_11A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11A1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_1B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_2B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_3B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_4B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_5B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_6B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_7B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_8B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_9B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_10B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_11B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11B1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_1C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_2C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_3C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_4C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_5C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_6C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_7C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_8C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_9C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_10C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_11C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11C1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_1D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_1D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_2D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_2D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_3D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_3D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_4D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_4D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_5D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_5D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_6D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_6D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_7D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_7D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_8D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_8D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_9D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_9D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_10D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_10D1.d
SUBJECT_SAMPLE_FACTORS           	-	F1_11D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F1_11D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_1A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_2A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_3A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_4A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_5A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_6A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_7A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_8A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_9A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_10A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_11A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11A1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_1B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_2B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_3B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_4B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_5B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_6B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_7B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_8B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_9B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_10B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_11B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11B1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_1C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_2C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_3C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_4C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_5C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_6C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_7C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_8C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_9C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_10C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_11C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11C1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_1D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_1D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_2D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_2D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_3D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_3D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_4D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_4D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_5D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_5D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_6D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_6D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_7D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_7D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_8D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_8D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_9D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_9D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_10D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_10D1.d
SUBJECT_SAMPLE_FACTORS           	-	F2_11D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=F2_11D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_1A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_2A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_3A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_4A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_5A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_6A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_7A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_8A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_9A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_10A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_11A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11A1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_1B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_2B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_3B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_4B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_5B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_6B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_7B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_8B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_9B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_10B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_11B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11B1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_1C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_2C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_3C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_4C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_5C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_6C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_7C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_8C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_9C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_10C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_11C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11C1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_1D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_1D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_2D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_2D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_3D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_3D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_4D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_4D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_5D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_5D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_6D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_6D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_7D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_7D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_8D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_8D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_9D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_9D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_10D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_10D1.d
SUBJECT_SAMPLE_FACTORS           	-	A1_11D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Targeted; RAW_FILE_NAME=A1_11D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_1A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_2A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_3A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_4A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_5A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_6A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_7A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_8A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_9A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_10A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_11A1	Diet:Normal | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11A1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_1B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_2B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_3B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_4B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_5B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_6B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_7B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_8B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_9B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_10B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_11B1	Diet:Normal | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11B1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_1C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_2C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_3C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_4C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_5C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_6C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_7C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_8C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_9C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_10C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_11C1	Diet:HighFat | BileAcid:water	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11C1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_1D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_1D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_2D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_2D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_3D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_3D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_4D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_4D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_5D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_5D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_6D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_6D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_7D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_7D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_8D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_8D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_9D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_9D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_10D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_10D1.d
SUBJECT_SAMPLE_FACTORS           	-	TU_11D1	Diet:HighFat | BileAcid:DCA	Analysis=Tissue_Untargeted; RAW_FILE_NAME=QTOFPOS_MS_11D1.d
SUBJECT_SAMPLE_FACTORS           	-	SU_1A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_2A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_3A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_4A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_5A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_6A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_7A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_8A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_9A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_10A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_11A	Diet:Normal | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11A.d
SUBJECT_SAMPLE_FACTORS           	-	SU_1B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_2B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_3B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_4B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_5B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_6B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_7B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_8B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_9B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_10B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_11B	Diet:Normal | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11B.d
SUBJECT_SAMPLE_FACTORS           	-	SU_1C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_2C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_3C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_4C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_5C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_6C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_7C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_8C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_9C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_10C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_11C	Diet:HighFat | BileAcid:water	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11C.d
SUBJECT_SAMPLE_FACTORS           	-	SU_1D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S1D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_2D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S2D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_3D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S3D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_4D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S4D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_5D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S5D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_6D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S6D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_7D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S7D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_8D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S8D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_9D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S9D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_10D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S10D.d
SUBJECT_SAMPLE_FACTORS           	-	SU_11D	Diet:HighFat | BileAcid:DCA	Analysis=Serum_Untargeted; RAW_FILE_NAME=POS_S11D.d
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing 50
CO:COLLECTION_SUMMARY            	µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three rounds
CO:COLLECTION_SUMMARY            	of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute,
CO:COLLECTION_SUMMARY            	thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a
CO:COLLECTION_SUMMARY            	Grant XUB18 bath sonicator. Tissue wet weight was determined using a
CO:COLLECTION_SUMMARY            	Mettler-Toledo XS105 balance (Mettler-Toledo, Melbourne, Australia). Biopsies
CO:COLLECTION_SUMMARY            	were transferred to Eppendorf tubes containing 500 µL ice-cold methanol, 50
CO:COLLECTION_SUMMARY            	µg/ml BHT and one steel bead and homogenized in a TissueLyzer LT (Qiagen,
CO:COLLECTION_SUMMARY            	Melbourne, Australia) for six minutes at 50 Hz. Homogenate was transferred to
CO:COLLECTION_SUMMARY            	new tubes and the original tube was washed with 400 µL methanol and
CO:COLLECTION_SUMMARY            	transferred. Samples were dried down under nitrogen flow and resuspended in 20
CO:COLLECTION_SUMMARY            	µL water and 200 µL methanol (50 µg/ml BHT). Samples were homogenized by
CO:COLLECTION_SUMMARY            	three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for
CO:COLLECTION_SUMMARY            	one minute, thawing for two minutes and sonicating for 10 minutes at 15°C,
CO:COLLECTION_SUMMARY            	power 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard
CO:COLLECTION_SUMMARY            	(10 µL) and Cer/Sph mixture II (10 µL) internal standards mixes from Avanti
CO:COLLECTION_SUMMARY            	Polar Lipids were then added to each sample. After overnight incubation at
CO:COLLECTION_SUMMARY            	-30°C, 750 µL MTBE was added and each tube was vortex mixed for 10 seconds and
CO:COLLECTION_SUMMARY            	shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 µL) was then
CO:COLLECTION_SUMMARY            	added, and the tube was vortex mixed for 30 seconds to form a biphasic
CO:COLLECTION_SUMMARY            	separation. After centrifuging for 15 minutes at 15,000 × g, 700 µL of the
CO:COLLECTION_SUMMARY            	clear upper phase containing lipids in MTBE was transferred to another tube and
CO:COLLECTION_SUMMARY            	dried down using a gentle stream of nitrogen. After drying down of lipid
CO:COLLECTION_SUMMARY            	extracts were resuspended in 50 µL methanol (containing 50 µg/mL BHT)/toluene
CO:COLLECTION_SUMMARY            	(90/10%, v/v).
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	C57BL/6 mice (n=44) were divided into 4 groups (n=11 per group) and fed High-fat
TR:TREATMENT_SUMMARY             	diet (HFD), 1% deoxycholic acid (DCA) in drinking water, both, or left as
TR:TREATMENT_SUMMARY             	control for 9 months. The two treatments were selected to demonstrate the
TR:TREATMENT_SUMMARY             	ability of lipidomics to detect gross changes induced by HFD in the serum
TR:TREATMENT_SUMMARY             	lipidome, as well as specific/minor changes induced by the secondary bile acid
TR:TREATMENT_SUMMARY             	(DCA) through regulation of liver lipid metabolism.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Mouse serum (30 µL) was added to 215 µL of ice-cold methanol containing 50
SP:SAMPLEPREP_SUMMARY            	µg/mL butylated hydroxytoluene (BHT). Samples were homogenized by three rounds
SP:SAMPLEPREP_SUMMARY            	of vortex mixing for 30 seconds, freezing in liquid nitrogen for one minute,
SP:SAMPLEPREP_SUMMARY            	thawing for two minutes and sonicating for 10 minutes at 15°C, power 100% in a
SP:SAMPLEPREP_SUMMARY            	Grant XUB18 bath sonicator. Tissue wet weight was determined using a
SP:SAMPLEPREP_SUMMARY            	Mettler-Toledo XS105 balance (Mettler-Toledo, Melbourne, Australia). Biopsies
SP:SAMPLEPREP_SUMMARY            	were transferred to Eppendorf tubes containing 500 µL ice-cold methanol, 50
SP:SAMPLEPREP_SUMMARY            	µg/ml BHT and one steel bead and homogenized in a TissueLyzer LT (Qiagen,
SP:SAMPLEPREP_SUMMARY            	Melbourne, Australia) for six minutes at 50 Hz. Homogenate was transferred to
SP:SAMPLEPREP_SUMMARY            	new tubes and the original tube was washed with 400 µL methanol and
SP:SAMPLEPREP_SUMMARY            	transferred. Samples were dried down under nitrogen flow and resuspended in 20
SP:SAMPLEPREP_SUMMARY            	µL water and 200 µL methanol (50 µg/ml BHT). Samples were homogenized by
SP:SAMPLEPREP_SUMMARY            	three rounds of vortex mixing for 30 seconds, freezing in liquid nitrogen for
SP:SAMPLEPREP_SUMMARY            	one minute, thawing for two minutes and sonicating for 10 minutes at 15°C,
SP:SAMPLEPREP_SUMMARY            	power 100% in a Grant XUB18 bath sonicator. SPLASH LipidoMix Mass Spec Standard
SP:SAMPLEPREP_SUMMARY            	(10 µL) and Cer/Sph mixture II (10 µL) internal standards mixes from Avanti
SP:SAMPLEPREP_SUMMARY            	Polar Lipids were then added to each sample. After overnight incubation at
SP:SAMPLEPREP_SUMMARY            	-30°C, 750 µL MTBE was added and each tube was vortex mixed for 10 seconds and
SP:SAMPLEPREP_SUMMARY            	shaken for 10 minutes on a tube rotator (4°C). MilliQ water (188 µL) was then
SP:SAMPLEPREP_SUMMARY            	added, and the tube was vortex mixed for 30 seconds to form a biphasic
SP:SAMPLEPREP_SUMMARY            	separation. After centrifuging for 15 minutes at 15,000 × g, 700 µL of the
SP:SAMPLEPREP_SUMMARY            	clear upper phase containing lipids in MTBE was transferred to another tube and
SP:SAMPLEPREP_SUMMARY            	dried down using a gentle stream of nitrogen. After drying down of lipid
SP:SAMPLEPREP_SUMMARY            	extracts were resuspended in 50 µL methanol (containing 50 µg/mL BHT)/toluene
SP:SAMPLEPREP_SUMMARY            	(90/10%, v/v).
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Agilent HILIC Plus RRHD 2.1×100 mm 1.8-micron column
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6490 QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	-
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Count
MS_METABOLITE_DATA_START
Samples	F1_1A1	F1_2A1	F1_3A1	F1_4A1	F1_5A1	F1_6A1	F1_7A1	F1_8A1	F1_9A1	F1_10A1	F1_11A1	F1_1B1	F1_2B1	F1_3B1	F1_4B1	F1_5B1	F1_6B1	F1_7B1	F1_8B1	F1_9B1	F1_10B1	F1_11B1	F1_1C1	F1_2C1	F1_3C1	F1_4C1	F1_5C1	F1_6C1	F1_7C1	F1_8C1	F1_9C1	F1_10C1	F1_11C1	F1_1D1	F1_2D1	F1_3D1	F1_4D1	F1_5D1	F1_6D1	F1_7D1	F1_8D1	F1_9D1	F1_10D1	F1_11D1
Factors	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:water	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:Normal | BileAcid:DCA	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:water	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA	Diet:HighFat | BileAcid:DCA
18:1-d9 SM	1083063	842280	787822	1139301	1310981	1167893	797784	2005942	1035506	1440092	1258255	1620617	843703	736157	1025256	2961665	868232	2085686	1275112	1299407	857885	1024557	1473524	1057407	637855	2501070	2128561	1685375	1966819	1251642	715728	733484	996363	815969	753798	1218233	1020879	399925	1080449	493074	382012	339447	208401	595604
SM 18:1/16:0	46011172	47419908	32804440	39352660	35309176	55410596	49165920	45651736	39868940	44209300	43299916	51841096	54871776	37775492	44942704	54548072	52055136	49633276	43289060	51552272	36125824	55096164	47317732	47611384	29344170	55599928	55405624	41371700	57572780	51543616	41564808	43460580	41026148	41998828	48852976	48917228	54208488	31010034	56511700	41468732	36537728	41487336	13532167	48479444
SM 18:1/16:1	2237662	1934401	986414	1874057	1802363	1941064	1821602	2253460	1828790	2309153	1623520	1920052	2073942	1264958	2403176	1803878	1736178	2362686	2422108	2297548	1641944	1880815	1753456	2001722	1195155	1616839	2094868	1798722	1558444	2143943	1927900	1624774	1938439	1611846	2076363	2242520	2230122	2066819	2370314	2060374	1719363	2080566	532579	1918914
SM 18:1/16:2	2552092	2523128	1514868	3511734	2697887	2565238	2692407	3395875	3700730	2931463	1895037	4123972	2229878	1242675	3771325	3319485	3119371	3650640	3664153	3777409	2444127	4379076	3563076	3572372	1020753	3251159	4381889	3275689	2611842	2858058	2332500	2187569	3013011	2239102	3151153	1998402	4380251	1406297	3010053	2017068	1162481	2591661	460417	2326724
SM 18:1/18:0	19207232	9871836	8523347	18310744	19633176	9033085	9450197	20887284	20446470	17087466	10678055	18180916	13064014	8643824	18471660	12535070	12125102	18265410	10642818	16975576	15185150	13846158	22506018	14030047	7498802	16694124	25858208	17485304	18202504	16656257	13712707	14366892	15605369	11829562	18234690	14682691	19163842	8217863	18326084	13054085	12734676	14069764	4837099	18086606
SM 18:1/18:1	2724413	1388842	1065603	2742186	2683390	1308819	1586496	3158601	2899381	2556740	1262132	2536517	1922278	1271401	2921548	1535625	1981385	2461759	1761611	2904924	2382888	2246550	2915635	2135391	1133930	1930710	3017474	2360210	1887147	2549714	2110235	2162151	2197301	1825365	2751340	1340437	2470166	1248362	2191915	1859838	1870225	2104759	767973	2310883
SM 18:1/18:2	28264	17669	15147	21438	23301	22330	19715	31735	25597	24792	16031	29336	22819	12047	28906	22415	22145	30164	18548	24269	17604	23517	32419	21478	13676	26165	31339	21072	25642	27516	21561	25301	23897	20912	31514	17095	26736	14060	24054	17841	20278	23439	6544	23808
SM 18:1/20:0	6722772	4225150	2742877	6329568	6379677	4724227	4176412	6580045	6603013	5986367	4573106	6442821	4955455	3514774	5861427	5826550	4959000	6559985	4005778	6327739	5367319	5556846	7251020	4790925	2552841	6299881	8552814	5162784	6900676	4605616	4017366	4282436	4248424	5152976	6008850	7456221	6069182	3524022	6785623	5438711	4182356	4551409	1398469	6153233
SM 18:1/20:1	1825528	1396643	772691	1772791	1787373	1468411	1578344	2044598	2012667	1667977	1116822	2005684	1715370	1100720	2155151	1700366	1704202	1779399	1361801	2340340	1738706	1985925	1899637	1503148	901737	1869643	2026236	1655017	1537729	1735303	1547785	1528626	1425855	1626200	2221617	1812981	2005944	1429570	1982429	1668513	1294204	1506195	511072	1729380
SM 18:1/20:2	17829	16992	11662	15705	17048	19348	18866	21251	19949	17130	15132	20569	16370	11941	20360	20829	17103	17740	14031	21211	14988	19564	18019	17032	9804	21790	19780	17469	17632	19827	15598	16913	13314	17437	20177	17272	21143	13512	21438	15917	13822	15070	4943	15079
SM 18:1/22:0	5785374	3502570	2335207	5144793	4858223	4154212	3299486	5995446	5167503	5163147	3391806	4669471	4033184	2774850	4551159	4796710	3711103	5956135	3621504	4675239	3913968	4307635	5648345	3854419	2043249	5365997	7357977	3922089	5739285	4011982	3073891	3317350	2880929	4213342	5245032	7872075	5107493	3286069	5465354	4643735	3412994	4221085	1202962	4987349
SM 18:1/22:1	2001859	1563659	986691	1766974	1771785	1623120	1673060	2211533	2039750	1665066	1330887	1863400	1839113	1173195	2304317	1608658	1700414	2109908	1732974	2045617	1642220	1956236	2104307	1756250	983037	1908168	2244922	1767188	1554878	1840169	1620763	1736671	1633740	1851536	2245980	2364997	2187943	1894166	2206125	1975350	1592894	1995436	532328	1984063
SM 18:1/22:2	221068	173883	142898	239194	257508	168431	178516	279544	276208	212990	155924	278284	182212	136298	284638	216647	223369	224230	165557	292043	252378	241197	196161	185299	101220	201393	228769	181030	211881	196053	156249	166155	162204	155796	205772	193961	221875	149083	195660	181826	148745	183891	51679	167443
SM 18:1/22:3	25900	21987	15896	31377	27079	22503	23652	36024	36017	27392	17562	38628	24261	18532	34745	27393	27939	26890	19870	37995	31222	29313	24382	21202	13515	24473	25362	22195	21630	22263	20660	19613	18971	16861	24019	20695	24054	18465	21378	18070	17523	21125	6090	20799
SM 18:1/22:5	77636	109650	29594	48645	50939	134306	111168	69094	51822	82581	99037	87106	128956	83277	67332	157328	111767	91758	85133	82283	51276	96085	109418	77326	38995	115026	104214	68725	122740	92683	64123	79257	52848	76789	108041	159090	156574	56635	158374	65637	73406	84033	14525	117960
SM 18:1/22:6	430295	879501	245671	256344	275067	1169349	935168	385721	330485	345946	967109	714135	990375	649055	478139	1282483	927057	446819	358404	652817	413616	841873	759102	505846	261663	1137491	659980	542732	966069	661949	355063	529823	370748	604182	675021	726085	1259972	105577	1220477	214517	379590	375647	104119	822191
SM 18:1/24:0	5907838	4931458	3270794	5935602	5035685	6486826	4915623	6284946	5588547	6225422	4813470	6587660	5933297	3963577	5802234	6435620	6309302	7019260	4776324	6345766	4798640	6111480	6723296	4778427	2473070	6496488	7797853	4769835	7210075	5499464	3819752	4264507	3971679	4501011	5489854	6826863	5927230	3607802	5958862	5038649	3647477	4402281	1298593	5546840
SM 18:1/24:1	20148340	19713572	13066656	18364530	17490508	22368940	21016670	21931728	19801336	20229014	19070872	24453394	23000018	14957909	20863462	20957720	22490742	22251842	17003824	23395498	18299378	24580660	20153286	17290892	9611734	23358534	22814900	17635502	21750804	21448836	15672005	15496135	15901331	14090613	17355536	17080822	20470858	11620864	19022614	14661484	13477187	15766319	4322091	16550857
SM 18:1/24:2	5443281	3446134	2569612	5532102	5369486	3177626	3579016	6390652	5964488	5278636	2983926	6029714	4297421	2835155	6285063	4127892	4646408	5734538	4641628	5915925	5077561	4914360	4923078	4319224	1975444	4016706	5788709	3946569	3954702	5084089	3708284	4091399	3957266	2987170	4704041	3246110	4377053	3009998	4093008	3711343	3074284	4378872	1115223	4216197
SM 18:1/26:1	182306	137549	87446	192491	164834	127594	131133	213274	195235	202284	116510	207578	192781	97872	214573	179491	185623	269672	195212	231461	161204	183097	190770	230714	54444	182048	273805	175467	179379	176364	114768	117269	124583	95141	159920	183808	243943	295834	178414	228544	118468	209374	35970	156103
SM d18:0/16:0	8059908	8432320	5569510	6704131	6448722	10119270	8247132	8203476	6609370	7767889	6901627	9362460	9871680	6165036	8320183	9640808	8967335	8744837	7925909	9833644	6626473	9605254	8552668	7916459	4845064	9059849	9970260	7078407	10048971	9249089	6961514	7345692	6698604	7133700	8219910	9976725	9551736	5861320	10222854	6930449	6283403	7072153	2266645	8401020
SM d18:0/18:0	1169970	608594	532806	1171514	1070618	560900	634909	1302486	1082732	979689	620642	1084816	825224	534468	1047867	825637	829068	1178400	644913	1119153	898960	819404	1392937	926691	497559	1041723	1507869	1019354	1211361	1033277	865039	915840	901429	767462	1173808	887923	1102505	558105	1096026	839884	819099	874145	306679	1065908
SM d18:0/20:0	656467	425351	264017	645458	566383	488223	400303	665709	662851	572708	450505	610568	532746	349724	580885	619191	520215	684588	429587	603865	564724	571239	667252	498647	241112	622699	821874	541934	670155	505333	405483	442496	400035	475205	582918	710456	618812	323550	669939	551069	401373	421934	138992	581005
SM d18:0/22:0	500793	301129	170067	443045	408364	377960	275382	495161	404366	390674	324823	403216	336245	241093	358950	431510	334063	533491	309292	389904	333441	360491	497618	316479	167367	429436	670051	358217	561152	333691	232482	291833	232279	369318	450444	616687	449745	284262	503096	397568	269520	344166	92344	451051
SM d18:0/24:0	1084713	2118532	998920	656623	591503	3561094	2095372	792659	586830	851003	2003928	1379774	1860279	1449039	894429	2551858	2174397	1179784	1103559	1267905	924257	1799932	1514457	1041624	618620	2881650	1528304	1083527	2776347	1691911	770533	1152356	615859	1386436	1493863	1038846	1842469	179332	2324914	448154	730588	596708	313330	1601295
Cer d18:0/C16:0	6670	13074	4398	5962	4144	13250	10748	5975	6722	8786	9793	8672	12624	6193	7881	9753	12999	8387	8073	8701	5646	10699	7396	8167	2374	9023	7606	6420	9964	8869	6595	7691	7552	7493	9476	11451	8297	6958	9670	10269	7505	9499	3088	12415
Cer d18:0/C24:1	12314	8560	4281	10777	7933	12137	8867	10923	11566	12153	8490	11855	9045	5243	11890	11480	10355	14643	10359	12566	6576	10687	11133	8505	2294	10185	14740	8955	11309	7758	6285	5801	8582	5095	8757	8711	9311	9059	11079	14002	6005	9309	3214	8328
Cer d18:0/C24:2	4407	3891	2462	3390	2843	5812	4601	4185	4335	3950	4510	4613	4178	2811	4294	4792	4313	4940	3937	4857	2610	4294	4153	3874	670	3921	4822	3066	3971	3481	3042	3064	2856	2528	3876	2809	3675	3827	4350	6149	3059	4346	1262	3366
Cer d18:0/C26:2	11726	5905	4387	11552	7801	1003	6049	11799	14169	11007	3700	12127	6940	2913	10792	8113	7210	12869	9615	11049	5486	10137	8708	8162	1750	5515	15924	9253	7425	5370	5498	3933	7176	4607	8278	5572	9354	3151	11776	16051	2773	7317	2593	7786
Cer d18:1/C12:0	15607	28987	23368	15463	16696	45531	28611	22330	17450	25574	39573	37328	29287	27485	24196	58010	39134	23870	28215	22879	21497	29482	29819	31908	17183	54188	34002	22653	36403	41875	25568	24382	46145	29244	28104	28272	26281	17797	27779	14028	22995	16123	9063	18519
Cer d18:1/C16:0	83526	194248	56470	60101	47124	284751	189373	71702	84260	104505	168678	135087	200674	94490	99673	186557	272340	99110	109208	157137	94774	198334	162944	141980	26059	212647	134947	115965	242988	172908	89744	125889	82357	118928	157088	110705	140986	54271	175561	96145	93909	103258	22028	178814
Cer d18:1/C16:1	428832	309667	309100	404156	275017	88474	346501	410355	509108	418751	211935	549897	299855	177374	468127	338111	393596	417517	407039	520120	338966	483143	389841	405908	152791	368339	505564	485901	319733	242909	273383	183497	463341	227087	359575	264342	506506	192058	431672	669597	196193	532015	233528	287501
Cer d18:1/C18:0	11640	16145	7649	9917	8646	15931	15534	11175	15326	12660	14585	13808	10608	7787	10502	14631	15808	8992	8548	15460	10844	13422	16620	14615	2965	25586	14860	19224	17639	16950	10575	12264	14598	9916	16253	15106	16327	5746	19242	16597	11958	12847	3451	19452
Cer d18:1/C18:1	17387	20716	14438	14523	13007	20554	22844	17057	20885	15686	19104	21554	16318	16675	17285	20129	18336	14615	13908	24173	14410	21925	18736	20139	6576	26571	19460	25900	18134	14397	15128	10753	21116	11239	15329	24617	25818	15887	30167	48625	14856	22566	11966	16036
Cer d18:1/C20:0	9354	25648	9842	6837	5625	48633	25202	6987	10444	12434	23109	16757	20243	15060	9198	26863	24021	9913	9406	13665	10584	22943	17673	13916	3484	30406	16412	10546	20226	13982	11386	13702	12035	21648	18893	21238	17324	8649	22431	13795	10230	13623	3404	24257
Cer d18:1/C20:1	7716	22306	11297	5446	4402	67271	25301	7246	7080	9108	38892	15971	15290	26398	8514	43537	17359	9890	7713	11438	6574	14705	12537	9434	3921	37578	11791	8767	16002	9944	5585	8143	11618	9689	10141	17440	15535	6008	17241	8803	6445	8186	3135	14113
Cer d18:1/C20:2	14130	75975	27358	11385	9104	143040	71836	12022	13226	19664	70261	32631	38869	34829	13580	72557	51478	16052	12188	22126	15030	39783	20878	18756	4220	68200	20356	11144	31354	21273	13057	15769	11496	23617	21778	34759	23457	11564	28920	18248	16667	16233	4041	27656
Cer d18:1/C22:0	17427	24151	8829	12611	10320	49962	25157	12278	13847	20502	26069	22561	21925	15483	13031	32313	28424	17257	16644	18857	11977	23581	24266	17495	3399	35439	24247	17006	32042	18850	12854	14741	12225	19019	20510	33642	21334	14583	25048	22267	12779	16499	3611	26962
Cer d18:1/C22:1	32454	61227	23264	24713	18845	189633	69366	28316	32028	36406	93602	44938	43792	44713	31326	128527	56315	36429	30194	40380	21886	45452	44871	35598	8260	110519	52511	30551	71584	35166	20451	22398	27833	29126	37673	39042	54078	15700	58194	39717	18411	28862	11479	46690
Cer d18:1/C22:2	114685	309228	87728	82736	64268	571228	289995	96023	89817	131793	243094	169451	202359	158858	97269	268429	239546	136001	96743	131981	75094	188468	152666	103503	25569	250079	151477	72701	206717	129593	71081	94934	60791	127631	132726	271473	146051	79411	171035	146699	86636	112175	26236	202442
Cer d18:1/C22:3	16114	53580	24506	10813	10951	129219	57490	14392	13509	18567	63936	23222	28423	25320	16076	64678	33939	19829	14326	19172	14051	25720	21228	16399	4939	62074	22950	12685	33511	25533	13642	17056	12696	15706	21039	23305	23718	14940	28708	20067	15399	19303	4913	28040
Cer d18:1/C22:4	89676	56780	21761	91243	58965	66774	64358	75036	96125	75647	40963	78916	63476	30815	70396	59192	63380	89102	64590	67301	36856	68715	70106	60724	9032	51300	92048	43860	56852	40610	44677	42377	40803	40743	59918	83376	59873	42931	66477	109600	41116	62884	9941	78835
Cer d18:1/C22:5	68554	125482	67765	47516	54094	146913	118626	67671	93621	82890	112003	82422	118205	78279	75935	95672	119355	70692	59096	77425	60263	99991	69470	62843	15481	68668	74582	41706	68970	81590	64848	67519	89662	52323	71179	75555	64984	90327	79407	90628	89873	103129	18003	85392
Cer d18:1/C22:6	9283	10927	9378	8519	9972	11809	10542	9359	15290	9051	10766	10305	8537	6953	8926	8845	11644	7234	8579	7450	8675	9411	6033	6817	1802	6175	8403	4610	6673	8570	8040	8239	9042	5045	10079	8514	6980	14236	6858	13143	11757	16392	3061	8993
Cer d18:1/C24:0	63657	40355	15048	63128	41981	53540	41856	62767	66307	64331	36663	62136	41109	23509	50947	66125	51601	70431	52072	65109	33515	55072	68276	50211	6170	65793	91002	53569	74525	41348	33190	29333	31627	27358	44643	49968	44829	22113	52804	66129	21565	36333	9475	54658
Cer d18:1/C24:1	538577	358652	181205	511341	336804	612713	419537	519857	469864	518752	363702	534078	374937	213269	463666	574983	452254	557683	445600	557281	274835	503650	492450	400772	87335	523471	680327	420653	587028	355539	240321	211756	319586	223087	336530	250904	437625	193840	453445	644577	179264	340519	129556	371962
Cer d18:1/C24:2	169690	204452	107437	153475	105815	330712	253149	161169	176086	157598	205002	187586	166797	111915	162731	226101	182165	185645	174164	220105	85817	200414	141481	144574	28396	202378	197064	122156	159415	139369	94709	85090	108476	71564	140262	117828	162590	100408	199724	243829	77509	143192	40633	126571
Cer d18:1/C26:0	21270	11380	6673	20767	11011	2754	11095	18605	22594	22158	8393	22066	13687	4787	19944	16295	13857	25956	22664	26730	9316	18807	17143	16079	2406	12793	24674	17543	16303	8284	8023	5603	11320	7775	13219	15519	18448	9776	21426	36405	5597	16739	4442	11572
Cer d18:1/C26:1	66635	28468	17422	59923	36411	5608	29706	56018	73113	61523	17890	54794	32636	12943	53242	43519	36859	64422	52441	63973	25986	54463	50244	42774	7733	33392	75378	45021	37542	27149	26408	20323	26515	20830	39055	28338	48408	18849	51390	89291	14358	36809	10343	35956
Cer d18:2/C16:0	5673	14939	4869	2865	3570	14477	16691	3975	6115	6260	12861	6207	16884	7755	6584	9065	11732	6726	11198	7291	4955	10962	4790	10114	4714	4452	5032	4958	5807	10139	10196	8610	9308	7424	11942	17025	10003	26516	17547	14022	21628	19571	4502	14480
Cer d18:2/C16:1	2844	5918	4453	2686	2255	4637	6192	3105	3529	3964	4151	3635	3798	3061	4666	3438	3968	3167	4571	3490	3717	4384	2216	3493	2061	1942	2866	2657	2686	3204	2869	1815	4393	2396	2960	17233	3190	27312	3817	9294	5551	12792	1953	2896
Cer d18:2/C18:0	2673	5349	3086	2290	3031	4003	5249	2410	5351	4044	3931	3830	5466	3518	3684	3334	5201	2282	3357	3149	3334	4404	3800	3832	2317	3846	3510	2162	2420	6289	5148	5234	7082	3913	5853	4333	3565	6023	5295	4469	9981	7336	2247	5475
Cer d18:2/C18:1	1225	2774	1923	1215	1278	2940	3411	1715	2178	1654	3342	1848	2952	2243	2096	1760	2494	1438	2029	1606	1882	2513	1479	1634	989	1790	1428	1319	1321	2105	1965	1927	3048	1584	2039	5196	1796	6562	2260	3225	3647	4024	2363	2314
Cer d18:2/C20:0	4898	12795	7182	4115	3499	12400	15803	3673	8588	7837	12350	7624	14503	9307	6982	8953	13873	4566	7116	6823	5518	11024	6916	9385	4177	8492	6392	4697	5979	10003	12118	8685	9741	10691	13537	14894	10300	26411	15677	13927	17591	19541	4114	14132
Cer d18:2/C22:0	7197	16674	7935	5613	5176	16365	19335	5934	10687	9890	11844	12122	22291	11353	9603	11893	18239	8149	11891	10602	7947	17694	10020	12323	4159	9912	9862	6440	10158	14573	16130	13817	12570	15102	20410	30536	14533	50557	21983	26934	24414	30916	4245	18060
Cer d18:2/C24:1	28731	46758	22699	17780	20251	47990	53555	22895	30554	31421	41660	31807	55352	29236	32956	33842	42615	30869	34292	28482	20824	41608	24293	31553	10065	22395	24978	17752	24322	37707	32511	26256	31232	21539	36032	60929	33151	137654	41537	71664	51918	69622	12993	35111
Cer d18:2/C24:2	11715	31947	15681	7651	7818	37171	41119	10359	11437	13701	27227	18856	34953	19637	15254	21572	35205	15074	16951	17908	12056	27807	12433	17814	4784	13543	13086	8838	15106	24573	15406	14350	11927	14357	19129	41469	18666	65294	24475	36444	25560	35666	5127	17738
PC 30:0	8329892	3986503	3025842	7320771	6941756	3902542	4586790	8741481	9414363	5070824	2865890	8410546	6284575	1308432	8070030	6039710	5083875	11860120	7286004	9925906	4998997	6357996	6456862	4269064	1103275	6495905	9629981	6054883	7662155	3894997	2965431	2958648	3978333	5372535	7342083	16311929	8944857	5963665	7518075	10248245	3518756	6074743	848186	5148266
PC 32:0	58734136	38758084	29116538	55429932	50111972	43555388	39048800	62508044	62071416	39778872	33054102	54589808	42270068	20315024	53974368	52366932	40531552	62277428	35590844	60996808	41620324	48022184	50672432	35431532	14686340	48440772	68221408	41582000	52169408	27384326	20980326	27607994	26707282	39786180	50513272	65329176	45677684	24861994	50086092	34337676	23677770	31738316	12764653	39270544
PC 32:1	6624203	4762444	3836230	5269054	5749524	3113167	4227389	7001694	6307850	5740128	2839758	5545878	6415898	2486329	8260051	4334538	4745953	10743188	8428496	7082782	5418021	5766261	4374055	4107001	2334642	3718466	5553199	4886757	4341248	3437518	3680602	3859009	4331704	4904161	5236535	6222086	5414807	5169592	4378738	5660685	4425448	5311048	1814510	4308204
PC 32:2	804225	715784	379822	776121	680713	730621	640450	813987	711895	633602	524785	769941	989876	490946	1075749	632867	702025	1224013	1030973	820877	598169	759258	489443	774783	444763	392708	745558	783717	801209	571558	635975	576963	617374	722144	820306	927700	910744	618675	854336	640103	624417	657170	265298	635818
PC 32:3	113600	166939	66481	88896	108061	189431	132370	105161	68392	95848	129081	116287	148074	119587	139408	157044	118998	136073	154660	123807	84717	146514	59070	91177	88250	41894	95963	99873	113685	85871	102860	67762	71627	89509	123510	123791	131218	105475	150509	76315	97338	86796	47967	93563
PC 34:0	7353794	6741989	5798101	7541550	6438693	8387675	6969408	6338323	7236825	6304358	7139324	6315439	5260243	4725244	6502792	6977664	6044484	7218841	6430190	7093792	6113185	6684652	7858426	6408536	4235489	7782712	8622801	6788229	8397291	5451287	5779660	6310360	5839733	7792456	6954059	10580884	7025454	5791052	6918604	6941815	5919019	6343674	3206064	7107954
PC 34:1	32188424	42267832	34979360	35329996	32810058	38668296	41425568	36961700	35618004	30451020	34187700	34341840	33409700	28893144	38826248	34410764	36302468	36152460	33526852	36864040	34382548	36211592	37201444	33143344	29607994	40484028	35169272	38017840	39508964	29693492	29574480	38503088	32602864	40165084	35202588	38142188	37583792	32736150	39462844	34016744	32504882	34204512	22862762	37441264
PC 34:2	20013150	24759558	20440582	22072604	21167636	26218898	22772636	22796562	21342488	17602876	20001564	22661814	23212952	17842606	24285416	24106018	23772828	23275842	22917456	19543524	19887182	25806308	17021586	16170458	16785582	22580668	15623604	16905034	19807142	17617116	16322984	17226416	16305113	25656588	23954426	20005150	21536226	15268679	17995010	20158624	18901230	19126910	10026505	19202070
PC 34:3	1126275	860316	755561	1167934	1120870	765094	820649	1364972	1312768	1168736	736931	992417	1083531	574060	1453781	1023470	1008592	2047984	1599928	979314	968843	1109218	688588	681876	520651	637899	967242	857205	769948	646290	695638	659407	830341	1125392	1053635	1131612	868778	1185009	601132	1188837	1037285	1109435	378093	964387
PC 34:4	450208	444685	585314	690007	757913	685873	479485	1000679	600258	773874	1000041	757079	332993	670075	389581	1814251	417633	773732	550674	713849	548041	446894	1010918	666362	510032	1222039	908821	981157	1171889	627882	529750	510923	561519	498274	402964	804196	392278	291034	559313	323775	249538	225861	267177	333084
PC 34:5	105653	81517	113549	144481	147224	122331	74832	212498	107823	125742	162930	143550	55510	114291	85820	322972	66755	144070	103471	142708	108589	93347	182095	114903	80415	238163	152547	207479	200533	142085	82116	77990	95294	88880	76711	134868	78529	41512	104654	48646	39783	29751	49802	64810
PC 36:0	473534	397613	470552	647576	585340	412633	421504	437878	648327	466525	458140	406918	260151	396647	389201	440561	417841	431709	420880	571634	614504	405772	700956	520471	412278	624442	616006	663980	509289	470360	516093	563977	510427	506298	502662	505287	398477	490583	443691	531101	489242	579635	417186	603286
PC 36:1	5128187	3986061	4780081	5494167	6032100	3206320	3701458	4596603	5535180	4297124	3967146	4261467	3108958	3521136	4353937	4314781	3826600	3868062	3796536	5583111	5591808	4195207	6297664	4989824	3961939	5155495	5231854	5449161	4418894	3835724	4328532	5124260	4576992	4794892	4590239	4878469	4116972	3977603	4412800	4578245	4374024	5182553	3464316	5647686
PC 36:2	8292417	8291130	8120818	9702042	9717800	6739269	7735350	9650921	11835458	9212188	6814926	8974853	6991103	5949843	10074565	8654653	8764533	9215417	10063364	7762238	9102346	7803534	9047661	6739527	6568122	9729006	8763677	7766581	7608601	7275228	7804988	9229106	7671760	9769581	9757428	7344815	6974210	7578776	6313969	8063632	8595811	9170134	4962457	10786642
PC 36:3	7538312	6823294	5973050	7305474	6533697	6390622	6236884	8236522	7977655	7347501	5514339	6681224	5760157	4803685	7634987	6308581	7025776	7758935	6588212	6078169	6780962	6769908	5243750	4730993	4384586	6932443	6107094	5610612	5430596	4630621	4331763	5357391	6188483	8416980	6703675	7211947	5747619	8463203	3620385	8834430	5626183	7227059	3307296	7151347
PC 36:4	9944078	8429794	11209480	10199506	12149489	7429421	7980580	11816486	15650141	10831948	7450482	9680780	6409175	6655381	10303775	6791198	9011647	11047558	7709160	8322368	10431594	8987566	11790337	8680013	8157946	18124926	14322908	10823715	10352111	9399678	10139642	12427665	11881769	15144739	11136559	12914013	9662632	16568464	6461117	15121964	13481118	13568145	6548886	12658602
PC 36:5	629092	491812	419194	610645	678323	539230	571529	799643	763105	593297	366367	615345	440491	262811	802823	453599	500585	962024	755218	564514	550385	570175	419180	370535	291653	596176	579472	447340	491605	345178	381796	430201	436224	711686	580791	823519	549028	846480	383579	810858	602240	729514	172402	582914
PC 38:1	83776	68836	95898	139472	128449	72947	82513	92366	149643	106818	71564	115852	79068	81906	91448	141743	96482	97529	89419	128335	119940	96148	106874	84826	51977	97087	127566	92057	64341	60823	83037	79298	85843	90673	87120	68171	77559	103635	78622	104639	83672	97898	50234	109808
PC 38:2	306422	242227	270860	470623	341183	245674	301839	303065	454277	322300	235750	366605	250140	259803	331495	376739	358743	342242	304245	411452	373510	355732	315684	234026	168655	314485	327892	243267	193462	249653	246654	269927	230202	325820	273202	199337	201367	241975	181556	270471	285553	322218	139383	330975
PC 38:3	1231285	802308	1034424	1548151	1696311	666018	859719	1382954	1725913	1183817	822322	1371912	824391	826371	1401436	1070084	1251657	1359278	1119335	1364116	1798278	1224096	1398552	1042776	862078	1274675	1164781	1143207	927754	894860	969447	1169968	1082609	1558609	1293075	1256604	832961	1235524	745855	1165457	1160707	1259156	651167	1339788
PC 38:4	4835856	4469685	4502418	6680759	6465375	3288506	3895577	5782579	6341473	4634605	4041579	5149255	3956538	2389201	5503754	4104838	4240365	5023029	4735303	5349756	5837129	4240418	7026118	5242938	4110653	6361248	6932360	6787348	5810726	5312130	5560018	6898384	5020455	7121753	6278147	6363392	5109231	6129954	5049227	6664126	5918067	7114837	3181986	7248245
PC 38:5	2147424	1393936	1551931	2275708	2959170	1440737	1530199	2618634	3121359	1994377	1185668	1989759	1522465	944686	2569147	1266276	1740523	2745642	1821122	1914885	1965745	1994086	1804361	1549099	1166484	1479482	1918055	2015624	1672129	1355000	1738961	2053450	1963965	2384897	2022945	2368519	1870173	2575645	1180860	2775282	2034750	2397131	936332	2186295
PC 38:6	2996110	1610718	1497525	3323680	3528292	1467844	1476286	3421564	3779797	2278974	1305226	3636253	2205354	1213917	3533715	1635158	2388856	3826780	2805904	2881933	2618193	2373595	2131746	1879040	1459575	1636841	2235285	2207207	1530258	1754089	2116257	2581268	2417570	3975546	2290536	2181937	1663539	2150785	1552622	2758708	2340693	2666045	1195871	2799301
PC 40:1	74853	37928	78952	121766	99234	21077	61451	79576	100214	97398	48965	75733	45683	36004	67355	100530	56290	75636	66451	96414	101752	84568	89942	60630	31565	93556	91449	72727	40786	43388	55448	32698	65842	35199	52321	32694	57535	65023	62665	108681	54670	64993	37336	56890
PC 40:2	67296	49641	79767	129684	84622	36395	66244	78162	97915	94189	55881	84746	42129	46720	83168	114991	70785	88482	67439	80429	74618	82307	72395	46494	32418	94543	85607	56332	35611	38858	42208	41196	60874	47748	53074	29157	41311	45918	47545	82929	53549	52020	30333	73271
PC 40:3	91803	38033	56298	123385	93125	39786	48242	85864	117178	99324	43031	117335	58876	51323	96572	59411	86747	73764	67437	110258	122311	109223	95891	62986	40189	55417	87973	72466	53927	76658	75451	68194	79383	59600	74251	32522	57896	58944	53837	74508	68490	68994	38626	65928
PC 40:4	536049	139765	186291	771064	590947	111970	167958	483208	662015	534443	160756	516203	318699	265274	504114	174412	430031	364533	273093	547339	747745	508083	644296	403670	262362	261471	499604	556707	373152	476932	462227	487245	490936	344791	569628	155836	350314	326227	383150	453865	397495	410808	224044	458342
PC 40:5	697990	259725	317041	780326	852445	212820	288602	952741	833969	533431	262996	622297	512762	238734	717319	231624	530898	540628	384182	666965	770595	592853	592104	362814	216935	358663	587989	487163	425953	450946	471136	500114	569835	387120	555579	270297	449853	403297	366469	541744	460529	490313	216343	588655
PC 40:6	1786794	484608	522827	1807363	1535502	322316	505747	1475000	1771597	1333561	410222	1505590	968994	514561	1618556	576158	929590	1452483	1160155	1517560	1610800	1263931	1445343	803264	429871	786981	1537790	1114097	656380	1111445	1244911	1202578	1434955	1073768	1368078	669912	1047355	869422	809046	1223792	1040943	1237764	345210	1337655
PC 40:7	588369	117303	162373	361963	461737	111199	152716	528897	562811	338401	121462	453479	327790	82724	626633	125718	227335	513352	326911	340059	466604	325003	286945	156959	86614	132994	286070	211037	137590	233055	298802	227768	319251	375581	396225	221818	273123	244791	188548	276819	259388	311553	66121	313528
PC 40:8	238736	71874	88627	176117	267768	69107	84387	281600	282384	150538	62939	239197	140372	43649	277782	85503	98368	206937	127707	126624	135940	124133	118475	91881	47279	84170	210987	142148	95590	102052	124153	118113	157593	124488	176657	122499	137476	114423	78446	148824	124121	157015	25951	145774
15:0-18:1(d7) PC	3713254	2555092	3377573	3630337	4127299	3902704	2421454	5732358	3674491	4012625	5271826	4431991	1835813	3040494	2636371	9812525	2632651	5227362	3329234	4448143	3274935	3037122	5140791	3141245	2477369	6538547	5014215	5752662	5534230	3902417	2572139	2802161	2888762	2779107	2342537	4512742	2401516	1400234	3333406	1606010	1373174	1150269	1219339	1928441
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RefMet name	Formula	Mass	MW structure
18:1-d9 SM
SM 18:1/16:0
SM 18:1/16:1
SM 18:1/16:2
SM 18:1/18:0
SM 18:1/18:1
SM 18:1/18:2
SM 18:1/20:0
SM 18:1/20:1
SM 18:1/20:2
SM 18:1/22:0
SM 18:1/22:1
SM 18:1/22:2
SM 18:1/22:3
SM 18:1/22:5
SM 18:1/22:6
SM 18:1/24:0
SM 18:1/24:1
SM 18:1/24:2
SM 18:1/26:1
SM d18:0/16:0	SM(d18:0/16:0)	C39H81N2O6P	704.5832	30729
SM d18:0/18:0	SM(d18:0/18:0)	C41H85N2O6P	732.6145	30736
SM d18:0/20:0	SM(d18:0/20:0)	C43H89N2O6P	760.6458	30737
SM d18:0/22:0	SM(d18:0/22:0)	C45H93N2O6P	788.6771	30738
SM d18:0/24:0	SM(d18:0/24:0)	C47H97N2O6P	816.7084	30740
Cer d18:0/C16:0
Cer d18:0/C24:1
Cer d18:0/C24:2
Cer d18:0/C26:2
Cer d18:1/C12:0
Cer d18:1/C16:0
Cer d18:1/C16:1
Cer d18:1/C18:0
Cer d18:1/C18:1
Cer d18:1/C20:0
Cer d18:1/C20:1
Cer d18:1/C20:2
Cer d18:1/C22:0
Cer d18:1/C22:1
Cer d18:1/C22:2
Cer d18:1/C22:3
Cer d18:1/C22:4
Cer d18:1/C22:5
Cer d18:1/C22:6
Cer d18:1/C24:0
Cer d18:1/C24:1
Cer d18:1/C24:2
Cer d18:1/C26:0
Cer d18:1/C26:1
Cer d18:2/C16:0
Cer d18:2/C16:1
Cer d18:2/C18:0
Cer d18:2/C18:1
Cer d18:2/C20:0
Cer d18:2/C22:0
Cer d18:2/C24:1
Cer d18:2/C24:2
PC 30:0	PC(30:0)	C38H76NO8P	705.5309
PC 32:0	PC(32:0)	C40H80NO8P	733.5622
PC 32:1	PC(32:1)	C40H78NO8P	731.5465
PC 32:2	PC(32:2)	C40H76NO8P	729.5309
PC 32:3	PC(32:3)	C40H74NO8P	727.5152
PC 34:0	PC(34:0)	C42H84NO8P	761.5935
PC 34:1	PC(34:1)	C42H82NO8P	759.5778
PC 34:2	PC(34:2)	C42H80NO8P	757.5622
PC 34:3	PC(34:3)	C42H78NO8P	755.5465
PC 34:4	PC(34:4)	C42H76NO8P	753.5309
PC 34:5	PC(34:5)	C42H74NO8P	751.5152
PC 36:0	PC(36:0)	C44H88NO8P	789.6248
PC 36:1	PC(36:1)	C44H86NO8P	787.6091
PC 36:2	PC(36:2)	C44H84NO8P	785.5935
PC 36:3	PC(36:3)	C44H82NO8P	783.5778
PC 36:4	PC(36:4)	C44H80NO8P	781.5622
PC 36:5	PC(36:5)	C44H78NO8P	779.5465
PC 38:1	PC(38:1)	C46H90NO8P	815.6404
PC 38:2	PC(38:2)	C46H88NO8P	813.6248
PC 38:3	PC(38:3)	C46H86NO8P	811.6091
PC 38:4	PC(38:4)	C46H84NO8P	809.5935
PC 38:5	PC(38:5)	C46H82NO8P	807.5778
PC 38:6	PC(38:6)	C46H80NO8P	805.5622
PC 40:1	PC(40:1)	C48H94NO8P	843.6717
PC 40:2	PC(40:2)	C48H92NO8P	841.6561
PC 40:3	PC(40:3)	C48H90NO8P	839.6404
PC 40:4	PC(40:4)	C48H88NO8P	837.6248
PC 40:5	PC(40:5)	C48H86NO8P	835.6091
PC 40:6	PC(40:6)	C48H84NO8P	833.5935
PC 40:7	PC(40:7)	C48H82NO8P	831.5778
PC 40:8	PC(40:8)	C48H80NO8P	829.5622
15:0-18:1(d7) PC
METABOLITES_END
#END