#METABOLOMICS WORKBENCH efahy_20180114_131319 DATATRACK_ID:1299 STUDY_ID:ST000917 ANALYSIS_ID:AN001497 PROJECT_ID:PR000633
VERSION             	1
CREATED_ON             	January 14, 2018, 1:13 pm
#PROJECT
PR:PROJECT_TITLE                 	Biomarkers of NAFLD progression: a lipidomics approach to an epidemic
PR:PROJECT_TYPE                  	Lipidomics Study
PR:PROJECT_SUMMARY               	The spectrum of nonalcoholic fatty liver disease (NAFLD) includes steatosis,
PR:PROJECT_SUMMARY               	nonalcoholic steatohepatitis (NASH), and cirrhosis. Recognition and timely
PR:PROJECT_SUMMARY               	diagnosis of these different stages, particularly NASH, is important for both
PR:PROJECT_SUMMARY               	potential reversibility and limitation of complications. Liver biopsy remains
PR:PROJECT_SUMMARY               	the clinical standard for definitive diagnosis. Diagnostic tools minimizing the
PR:PROJECT_SUMMARY               	need for invasive procedures or that add information to histologic data are
PR:PROJECT_SUMMARY               	important in novel management strategies for the growing epidemic of NAFLD. We
PR:PROJECT_SUMMARY               	describe an 'omics' approach to detecting a reproducible signature of lipid
PR:PROJECT_SUMMARY               	metabolites, aqueous intracellular metabolites, SNPs, and mRNA transcripts in a
PR:PROJECT_SUMMARY               	double-blinded study of patients with different stages of NAFLD that involves
PR:PROJECT_SUMMARY               	profiling liver biopsies, plasma, and urine samples. Using linear discriminant
PR:PROJECT_SUMMARY               	analysis, a panel of 20 plasma metabolites that includes glycerophospholipids,
PR:PROJECT_SUMMARY               	sphingolipids, sterols, and various aqueous small molecular weight components
PR:PROJECT_SUMMARY               	involved in cellular metabolic pathways, can be used to differentiate between
PR:PROJECT_SUMMARY               	NASH and steatosis. This identification of differential biomolecular signatures
PR:PROJECT_SUMMARY               	has the potential to improve clinical diagnosis and facilitate therapeutic
PR:PROJECT_SUMMARY               	intervention of NAFLD.
PR:INSTITUTE                     	University of California, San Diego
PR:DEPARTMENT                    	Bioengineering
PR:LAST_NAME                     	Fahy
PR:FIRST_NAME                    	Eoin
PR:ADDRESS                       	9500 Gilman, La Jolla, CA, 92093, USA
PR:EMAIL                         	efahy@ucsd.edu
PR:PHONE                         	858-534-4076
PR:FUNDING_SOURCE                	NIGMS Grant GM U54069338
PR:PUBLICATIONS                  	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4340319/
PR:CONTRIBUTORS                  	LIPID MAPS Consortium
#STUDY
ST:STUDY_TITLE                   	Biomarkers of NAFLD progression: a lipidomics approach to an epidemic. Part
ST:STUDY_TITLE                   	3:Urine
ST:STUDY_TYPE                    	Lipidomics Study
ST:STUDY_SUMMARY                 	The spectrum of nonalcoholic fatty liver disease (NAFLD) includes steatosis,
ST:STUDY_SUMMARY                 	nonalcoholic steatohepatitis (NASH), and cirrhosis. Recognition and timely
ST:STUDY_SUMMARY                 	diagnosis of these different stages, particularly NASH, is important for both
ST:STUDY_SUMMARY                 	potential reversibility and limitation of complications. Liver biopsy remains
ST:STUDY_SUMMARY                 	the clinical standard for definitive diagnosis. Diagnostic tools minimizing the
ST:STUDY_SUMMARY                 	need for invasive procedures or that add information to histologic data are
ST:STUDY_SUMMARY                 	important in novel management strategies for the growing epidemic of NAFLD. We
ST:STUDY_SUMMARY                 	describe an 'omics' approach to detecting a reproducible signature of lipid
ST:STUDY_SUMMARY                 	metabolites, aqueous intracellular metabolites, SNPs, and mRNA transcripts in a
ST:STUDY_SUMMARY                 	double-blinded study of patients with different stages of NAFLD that involves
ST:STUDY_SUMMARY                 	profiling liver biopsies, plasma, and urine samples. Using linear discriminant
ST:STUDY_SUMMARY                 	analysis, a panel of 20 plasma metabolites that includes glycerophospholipids,
ST:STUDY_SUMMARY                 	sphingolipids, sterols, and various aqueous small molecular weight components
ST:STUDY_SUMMARY                 	involved in cellular metabolic pathways, can be used to differentiate between
ST:STUDY_SUMMARY                 	NASH and steatosis. This identification of differential biomolecular signatures
ST:STUDY_SUMMARY                 	has the potential to improve clinical diagnosis and facilitate therapeutic
ST:STUDY_SUMMARY                 	intervention of NAFLD.
ST:INSTITUTE                     	University of California, San Diego
ST:DEPARTMENT                    	Bioengineering
ST:LAST_NAME                     	Fahy
ST:FIRST_NAME                    	Eoin
ST:ADDRESS                       	9500 Gilman, La Jolla, CA, 92093, USA
ST:EMAIL                         	efahy@ucsd.edu
ST:PHONE                         	858-534-4076
ST:PUBLICATIONS                  	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4340319/
#SUBJECT
SU:SUBJECT_TYPE                  	Human clinical study
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	23-83
SU:GENDER                        	Male and Female
SU:HUMAN_ETHNICITY               	Black/White
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	NASH005	Diagnosis:Cirrhosis	GENDER=M; BMI=31; ETHNICITY=White; AGE=45; AST=55; ALT=20; ALKP=171; TBIL=8.2; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH007	Diagnosis:Cirrhosis	GENDER=F; BMI=40.3; ETHNICITY=White; AGE=64; AST=39; ALT=20; ALKP=102; TBIL=3; GLUCOSE=92
SUBJECT_SAMPLE_FACTORS           	-	NASH009	Diagnosis:Cirrhosis	GENDER=M; BMI=40; ETHNICITY=White; AGE=49; AST=162; ALT=66; ALKP=123; TBIL=10.5; GLUCOSE=119
SUBJECT_SAMPLE_FACTORS           	-	NASH013	Diagnosis:Cirrhosis	GENDER=M; BMI=35; ETHNICITY=White; AGE=59; AST=44; ALT=32; ALKP=95; TBIL=2.9; GLUCOSE=100
SUBJECT_SAMPLE_FACTORS           	-	NASH016	Diagnosis:Cirrhosis	GENDER=M; BMI=26; ETHNICITY=Asian; AGE=66; AST=223; ALT=100; ALKP=149; TBIL=5.2; GLUCOSE=117
SUBJECT_SAMPLE_FACTORS           	-	NASH022	Diagnosis:Cirrhosis	GENDER=M; BMI=27; ETHNICITY=White; AGE=63; AST=55; ALT=34; ALKP=91; TBIL=6.5; GLUCOSE=220
SUBJECT_SAMPLE_FACTORS           	-	NASH026	Diagnosis:Cirrhosis	GENDER=M; BMI=26.5; ETHNICITY=White; AGE=57; AST=18; ALT=38; ALKP=37; TBIL=4.2; GLUCOSE=122
SUBJECT_SAMPLE_FACTORS           	-	NASH027	Diagnosis:Cirrhosis	GENDER=M; BMI=31; ETHNICITY=-; AGE=58; AST=30; ALT=36; ALKP=105; TBIL=3.4; GLUCOSE=131
SUBJECT_SAMPLE_FACTORS           	-	NASH028	Diagnosis:Cirrhosis	GENDER=F; BMI=31; ETHNICITY=White; AGE=48; AST=46; ALT=47; ALKP=192; TBIL=2.4; GLUCOSE=173
SUBJECT_SAMPLE_FACTORS           	-	NASH029	Diagnosis:Cirrhosis	GENDER=F; BMI=21.5; ETHNICITY=White; AGE=49; AST=92; ALT=54; ALKP=277; TBIL=41.7; GLUCOSE=113
SUBJECT_SAMPLE_FACTORS           	-	NASH040	Diagnosis:Cirrhosis	GENDER=F; BMI=44; ETHNICITY=White; AGE=63; AST=36; ALT=26; ALKP=62; TBIL=1.7; GLUCOSE=65
SUBJECT_SAMPLE_FACTORS           	-	NASH047	Diagnosis:Cirrhosis	GENDER=M; BMI=-; ETHNICITY=White; AGE=60; AST=51; ALT=24; ALKP=57; TBIL=11.3; GLUCOSE=241
SUBJECT_SAMPLE_FACTORS           	-	NASH048	Diagnosis:Cirrhosis	GENDER=M; BMI=26; ETHNICITY=White; AGE=66; AST=44; ALT=23; ALKP=100; TBIL=4.5; GLUCOSE=79
SUBJECT_SAMPLE_FACTORS           	-	NASH049	Diagnosis:Cirrhosis	GENDER=M; BMI=35; ETHNICITY=White; AGE=71; AST=42; ALT=21; ALKP=82; TBIL=3.8; GLUCOSE=145
SUBJECT_SAMPLE_FACTORS           	-	NASH052	Diagnosis:Cirrhosis	GENDER=M; BMI=-; ETHNICITY=-; AGE=63; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH055	Diagnosis:Cirrhosis	GENDER=M; BMI=36.8; ETHNICITY=White; AGE=67; AST=35; ALT=24; ALKP=91; TBIL=0.9; GLUCOSE=135
SUBJECT_SAMPLE_FACTORS           	-	NASH064	Diagnosis:Cirrhosis	GENDER=F; BMI=27.9; ETHNICITY=White; AGE=67; AST=67; ALT=31; ALKP=113; TBIL=5.5; GLUCOSE=82
SUBJECT_SAMPLE_FACTORS           	-	NASH065	Diagnosis:Cirrhosis	GENDER=M; BMI=41.9; ETHNICITY=White; AGE=36; AST=32; ALT=17; ALKP=44; TBIL=0.2; GLUCOSE=91
SUBJECT_SAMPLE_FACTORS           	-	NASH068	Diagnosis:Cirrhosis	GENDER=M; BMI=23; ETHNICITY=White; AGE=55; AST=46; ALT=21; ALKP=67; TBIL=1.4; GLUCOSE=96
SUBJECT_SAMPLE_FACTORS           	-	NASH069	Diagnosis:Cirrhosis	GENDER=M; BMI=29.9; ETHNICITY=White; AGE=56; AST=74; ALT=57; ALKP=258; TBIL=3.1; GLUCOSE=84
SUBJECT_SAMPLE_FACTORS           	-	NASH010	Diagnosis:NASH	GENDER=F; BMI=43.3; ETHNICITY=White; AGE=46; AST=33; ALT=35; ALKP=71; TBIL=0.4; GLUCOSE=175
SUBJECT_SAMPLE_FACTORS           	-	NASH012	Diagnosis:NASH	GENDER=F; BMI=49; ETHNICITY=White; AGE=38; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=89
SUBJECT_SAMPLE_FACTORS           	-	NASH015	Diagnosis:NASH	GENDER=M; BMI=44; ETHNICITY=White; AGE=58; AST=27; ALT=39; ALKP=41; TBIL=0.2; GLUCOSE=125
SUBJECT_SAMPLE_FACTORS           	-	NASH018	Diagnosis:NASH	GENDER=F; BMI=51; ETHNICITY=Black; AGE=44; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=96
SUBJECT_SAMPLE_FACTORS           	-	NASH019	Diagnosis:NASH	GENDER=M; BMI=34; ETHNICITY=White; AGE=73; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=107
SUBJECT_SAMPLE_FACTORS           	-	NASH021	Diagnosis:NASH	GENDER=M; BMI=28; ETHNICITY=White; AGE=59; AST=30; ALT=39; ALKP=63; TBIL=0.9; GLUCOSE=185
SUBJECT_SAMPLE_FACTORS           	-	NASH030	Diagnosis:NASH	GENDER=F; BMI=41.6; ETHNICITY=White; AGE=28; AST=24; ALT=24; ALKP=77; TBIL=0.1; GLUCOSE=89
SUBJECT_SAMPLE_FACTORS           	-	NASH031	Diagnosis:NASH	GENDER=F; BMI=41.5; ETHNICITY=White; AGE=46; AST=17; ALT=23; ALKP=94; TBIL=0.2; GLUCOSE=135
SUBJECT_SAMPLE_FACTORS           	-	NASH035	Diagnosis:NASH	GENDER=M; BMI=74.7; ETHNICITY=White; AGE=45; AST=23; ALT=30; ALKP=72; TBIL=0.3; GLUCOSE=84
SUBJECT_SAMPLE_FACTORS           	-	NASH037	Diagnosis:NASH	GENDER=M; BMI=44; ETHNICITY=White; AGE=53; AST=52; ALT=83; ALKP=98; TBIL=0.3; GLUCOSE=165
SUBJECT_SAMPLE_FACTORS           	-	NASH038	Diagnosis:NASH	GENDER=M; BMI=45; ETHNICITY=White; AGE=65; AST=36; ALT=37; ALKP=67; TBIL=0.3; GLUCOSE=97
SUBJECT_SAMPLE_FACTORS           	-	NASH039	Diagnosis:NASH	GENDER=M; BMI=48; ETHNICITY=White; AGE=35; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH044	Diagnosis:NASH	GENDER=M; BMI=61; ETHNICITY=Black; AGE=41; AST=22; ALT=24; ALKP=57; TBIL=0.6; GLUCOSE=89
SUBJECT_SAMPLE_FACTORS           	-	NASH057	Diagnosis:NASH	GENDER=F; BMI=47.3; ETHNICITY=White; AGE=53; AST=25; ALT=18; ALKP=71; TBIL=0.6; GLUCOSE=99
SUBJECT_SAMPLE_FACTORS           	-	NASH072	Diagnosis:NASH	GENDER=M; BMI=77.3; ETHNICITY=White; AGE=50; AST=29; ALT=12; ALKP=85; TBIL=0.8; GLUCOSE=207
SUBJECT_SAMPLE_FACTORS           	-	NASH074	Diagnosis:NASH	GENDER=F; BMI=31; ETHNICITY=White; AGE=52; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=169
SUBJECT_SAMPLE_FACTORS           	-	NASH084	Diagnosis:NASH	GENDER=F; BMI=63; ETHNICITY=White; AGE=48; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=120
SUBJECT_SAMPLE_FACTORS           	-	NASH087	Diagnosis:NASH	GENDER=F; BMI=52; ETHNICITY=Black; AGE=58; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=175
SUBJECT_SAMPLE_FACTORS           	-	NASH088	Diagnosis:NASH	GENDER=F; BMI=40; ETHNICITY=Black; AGE=27; AST=15; ALT=19; ALKP=134; TBIL=0.4; GLUCOSE=133
SUBJECT_SAMPLE_FACTORS           	-	NASH090	Diagnosis:NASH	GENDER=F; BMI=35; ETHNICITY=White; AGE=32; AST=15; ALT=20; ALKP=69; TBIL=-; GLUCOSE=110
SUBJECT_SAMPLE_FACTORS           	-	NASH003	Diagnosis:Normal	GENDER=F; BMI=47.3; ETHNICITY=White; AGE=46; AST=36; ALT=54; ALKP=76; TBIL=-; GLUCOSE=90
SUBJECT_SAMPLE_FACTORS           	-	NASH004	Diagnosis:Normal	GENDER=M; BMI=-; ETHNICITY=White; AGE=23; AST=106; ALT=95; ALKP=-; TBIL=0.7; GLUCOSE=97
SUBJECT_SAMPLE_FACTORS           	-	NASH006	Diagnosis:Normal	GENDER=F; BMI=-; ETHNICITY=White; AGE=40; AST=68; ALT=72; ALKP=74; TBIL=0.5; GLUCOSE=93
SUBJECT_SAMPLE_FACTORS           	-	NASH011	Diagnosis:Normal	GENDER=M; BMI=29.1; ETHNICITY=White; AGE=54; AST=40; ALT=22; ALKP=42; TBIL=0.9; GLUCOSE=101
SUBJECT_SAMPLE_FACTORS           	-	NASH014	Diagnosis:Normal	GENDER=F; BMI=36; ETHNICITY=Black; AGE=63; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=139
SUBJECT_SAMPLE_FACTORS           	-	NASH017	Diagnosis:Normal	GENDER=M; BMI=45; ETHNICITY=White; AGE=59; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=101
SUBJECT_SAMPLE_FACTORS           	-	NASH020	Diagnosis:Normal	GENDER=M; BMI=29; ETHNICITY=White; AGE=33; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=91
SUBJECT_SAMPLE_FACTORS           	-	NASH024	Diagnosis:Normal	GENDER=F; BMI=35; ETHNICITY=Black; AGE=43; AST=20; ALT=13; ALKP=71; TBIL=0.9; GLUCOSE=95
SUBJECT_SAMPLE_FACTORS           	-	NASH034	Diagnosis:Normal	GENDER=F; BMI=51.5; ETHNICITY=White; AGE=49; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=172
SUBJECT_SAMPLE_FACTORS           	-	NASH036	Diagnosis:Normal	GENDER=F; BMI=39; ETHNICITY=Black; AGE=45; AST=21; ALT=23; ALKP=111; TBIL=0.2; GLUCOSE=99
SUBJECT_SAMPLE_FACTORS           	-	NASH041	Diagnosis:Normal	GENDER=F; BMI=63; ETHNICITY=Black; AGE=27; AST=21; ALT=19; ALKP=86; TBIL=0.3; GLUCOSE=106
SUBJECT_SAMPLE_FACTORS           	-	NASH042	Diagnosis:Normal	GENDER=F; BMI=42; ETHNICITY=White; AGE=58; AST=18; ALT=16; ALKP=98; TBIL=0.4; GLUCOSE=105
SUBJECT_SAMPLE_FACTORS           	-	NASH043	Diagnosis:Normal	GENDER=F; BMI=52; ETHNICITY=White; AGE=39; AST=13; ALT=12; ALKP=76; TBIL=0.3; GLUCOSE=104
SUBJECT_SAMPLE_FACTORS           	-	NASH045	Diagnosis:Normal	GENDER=F; BMI=48; ETHNICITY=Black; AGE=43; AST=13; ALT=15; ALKP=90; TBIL=0.3; GLUCOSE=104
SUBJECT_SAMPLE_FACTORS           	-	NASH046	Diagnosis:Normal	GENDER=F; BMI=40; ETHNICITY=White; AGE=36; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=104
SUBJECT_SAMPLE_FACTORS           	-	NASH050	Diagnosis:Normal	GENDER=F; BMI=52.5; ETHNICITY=Black; AGE=38; AST=15; ALT=12; ALKP=75; TBIL=0.1; GLUCOSE=96
SUBJECT_SAMPLE_FACTORS           	-	NASH051	Diagnosis:Normal	GENDER=F; BMI=50.6; ETHNICITY=White; AGE=29; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=99
SUBJECT_SAMPLE_FACTORS           	-	NASH053	Diagnosis:Normal	GENDER=F; BMI=25.1; ETHNICITY=White; AGE=56; AST=26; ALT=14; ALKP=180; TBIL=0.8; GLUCOSE=140
SUBJECT_SAMPLE_FACTORS           	-	NASH054	Diagnosis:Normal	GENDER=F; BMI=30.8; ETHNICITY=White; AGE=83; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=90
SUBJECT_SAMPLE_FACTORS           	-	NASH060	Diagnosis:Normal	GENDER=F; BMI=39.7; ETHNICITY=Black; AGE=36; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=115
SUBJECT_SAMPLE_FACTORS           	-	NASH066	Diagnosis:Normal	GENDER=F; BMI=40.3; ETHNICITY=Black; AGE=52; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=95
SUBJECT_SAMPLE_FACTORS           	-	NASH067	Diagnosis:Normal	GENDER=F; BMI=39.2; ETHNICITY=Black; AGE=33; AST=17; ALT=14; ALKP=73; TBIL=0.2; GLUCOSE=87
SUBJECT_SAMPLE_FACTORS           	-	NASH070	Diagnosis:Normal	GENDER=F; BMI=25.7; ETHNICITY=White; AGE=53; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH077	Diagnosis:Normal	GENDER=M; BMI=33; ETHNICITY=White; AGE=67; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=193
SUBJECT_SAMPLE_FACTORS           	-	NASH078	Diagnosis:Normal	GENDER=F; BMI=45; ETHNICITY=Black; AGE=40; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=101
SUBJECT_SAMPLE_FACTORS           	-	NASH080	Diagnosis:Normal	GENDER=F; BMI=50; ETHNICITY=White; AGE=57; AST=26; ALT=28; ALKP=54; TBIL=0.3; GLUCOSE=155
SUBJECT_SAMPLE_FACTORS           	-	NASH082	Diagnosis:Normal	GENDER=M; BMI=34; ETHNICITY=White; AGE=73; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH085	Diagnosis:Normal	GENDER=F; BMI=32; ETHNICITY=White; AGE=63; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH086	Diagnosis:Normal	GENDER=F; BMI=38; ETHNICITY=White; AGE=35; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=99
SUBJECT_SAMPLE_FACTORS           	-	NASH089	Diagnosis:Normal	GENDER=F; BMI=52; ETHNICITY=White; AGE=49; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=-
SUBJECT_SAMPLE_FACTORS           	-	NASH091	Diagnosis:Normal	GENDER=F; BMI=29; ETHNICITY=White; AGE=68; AST=14; ALT=18; ALKP=66; TBIL=0.4; GLUCOSE=107
SUBJECT_SAMPLE_FACTORS           	-	NASH001	Diagnosis:Steatosis	GENDER=M; BMI=52.3; ETHNICITY=Black; AGE=37; AST=16; ALT=19; ALKP=58; TBIL=0.4; GLUCOSE=236
SUBJECT_SAMPLE_FACTORS           	-	NASH002	Diagnosis:Steatosis	GENDER=F; BMI=34.9; ETHNICITY=White; AGE=57; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=91
SUBJECT_SAMPLE_FACTORS           	-	NASH023	Diagnosis:Steatosis	GENDER=M; BMI=34; ETHNICITY=White; AGE=56; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=97
SUBJECT_SAMPLE_FACTORS           	-	NASH032	Diagnosis:Steatosis	GENDER=F; BMI=45; ETHNICITY=White; AGE=58; AST=27; ALT=20; ALKP=83; TBIL=0.9; GLUCOSE=89
SUBJECT_SAMPLE_FACTORS           	-	NASH033	Diagnosis:Steatosis	GENDER=F; BMI=40; ETHNICITY=White; AGE=58; AST=38; ALT=29; ALKP=102; TBIL=0.5; GLUCOSE=109
SUBJECT_SAMPLE_FACTORS           	-	NASH056	Diagnosis:Steatosis	GENDER=F; BMI=45.1; ETHNICITY=White; AGE=51; AST=38; ALT=28; ALKP=45; TBIL=0.5; GLUCOSE=99
SUBJECT_SAMPLE_FACTORS           	-	NASH058	Diagnosis:Steatosis	GENDER=M; BMI=42.7; ETHNICITY=Black; AGE=53; AST=28; ALT=34; ALKP=72; TBIL=0.6; GLUCOSE=174
SUBJECT_SAMPLE_FACTORS           	-	NASH059	Diagnosis:Steatosis	GENDER=F; BMI=49.8; ETHNICITY=White; AGE=45; AST=16; ALT=16; ALKP=84; TBIL=0.3; GLUCOSE=92
SUBJECT_SAMPLE_FACTORS           	-	NASH061	Diagnosis:Steatosis	GENDER=F; BMI=56.7; ETHNICITY=White; AGE=29; AST=64; ALT=50; ALKP=68; TBIL=0.8; GLUCOSE=91
SUBJECT_SAMPLE_FACTORS           	-	NASH062	Diagnosis:Steatosis	GENDER=F; BMI=56.6; ETHNICITY=White; AGE=51; AST=15; ALT=16; ALKP=58; TBIL=0.5; GLUCOSE=90
SUBJECT_SAMPLE_FACTORS           	-	NASH071	Diagnosis:Steatosis	GENDER=F; BMI=40; ETHNICITY=White; AGE=33; AST=15; ALT=12; ALKP=59; TBIL=0.4; GLUCOSE=85
SUBJECT_SAMPLE_FACTORS           	-	NASH073	Diagnosis:Steatosis	GENDER=F; BMI=80.2; ETHNICITY=Black; AGE=34; AST=11; ALT=11; ALKP=90; TBIL=0.4; GLUCOSE=163
SUBJECT_SAMPLE_FACTORS           	-	NASH075	Diagnosis:Steatosis	GENDER=M; BMI=33; ETHNICITY=White; AGE=67; AST=22; ALT=34; ALKP=96; TBIL=0.5; GLUCOSE=191
SUBJECT_SAMPLE_FACTORS           	-	NASH076	Diagnosis:Steatosis	GENDER=F; BMI=50; ETHNICITY=White; AGE=51; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=92
SUBJECT_SAMPLE_FACTORS           	-	NASH079	Diagnosis:Steatosis	GENDER=F; BMI=43; ETHNICITY=White; AGE=37; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=85
SUBJECT_SAMPLE_FACTORS           	-	NASH081	Diagnosis:Steatosis	GENDER=F; BMI=46; ETHNICITY=White; AGE=65; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=119
SUBJECT_SAMPLE_FACTORS           	-	NASH083	Diagnosis:Steatosis	GENDER=M; BMI=39; ETHNICITY=White; AGE=41; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=106
#COLLECTION
CO:COLLECTION_SUMMARY            	Human samples were collected according to a protocol approved by Vanderbilt
CO:COLLECTION_SUMMARY            	University Medical Center's Internal Review Board (#120829) and under informed
CO:COLLECTION_SUMMARY            	written patients' consent prior to inclusion in this study. Sample sizes were
CO:COLLECTION_SUMMARY            	selected to minimize the invasive procedures. Plasma samples were obtained from
CO:COLLECTION_SUMMARY            	patients' blood collected during standard of care surgical procedures. Urine
CO:COLLECTION_SUMMARY            	samples were collected from patients' Foley catheters placed for standard of
CO:COLLECTION_SUMMARY            	care procedure. Liver samples were obtained from the excess tissue collected as
CO:COLLECTION_SUMMARY            	part of the standard of care liver biopsies performed at the time of surgery
CO:COLLECTION_SUMMARY            	that would otherwise be discarded. Subsequently, studies at University of
CO:COLLECTION_SUMMARY            	California, San Diego were conducted under further auspices of University of
CO:COLLECTION_SUMMARY            	California, San Diego Internal Review Board #121220.
CO:SAMPLE_TYPE                   	Urine
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Urine sample extraction. Five hundred microliters of thawed urine containing 4
SP:SAMPLEPREP_SUMMARY            	µl of internal standard mix were extracted with 500 µl cold (-20°C) CH3OH by
SP:SAMPLEPREP_SUMMARY            	incubation in an ice bath for 30 min. After mixing by vortex at 4°C for 1 min
SP:SAMPLEPREP_SUMMARY            	and centrifugation (4°C, 18,000 g, 10 min), the solvent was evaporated from the
SP:SAMPLEPREP_SUMMARY            	supernatant and the residue was dissolved in 400 µl of resuspension solvent,
SP:SAMPLEPREP_SUMMARY            	vortexed to mix (1 min at 4°C), and centrifuged (4°C, 18,000 g, 10 min) to
SP:SAMPLEPREP_SUMMARY            	remove any insoluble material. GPLs: GPLs from liver samples were extracted and
SP:SAMPLEPREP_SUMMARY            	analyzed by MS essentially as described in (20, 21). Extraction and analysis of
SP:SAMPLEPREP_SUMMARY            	plasma samples was according to previously published procedures (22).
SP:SAMPLEPREP_SUMMARY            	Cardiolipin, coenzyme Q, and dolichol: Lipid extractions were performed based on
SP:SAMPLEPREP_SUMMARY            	the Bligh and Dyer method with minor modifications (23-25). FAs and eicosanoids:
SP:SAMPLEPREP_SUMMARY            	FFAs were extracted essentially as previously described after supplementation
SP:SAMPLEPREP_SUMMARY            	with deuterated internal standards (Cayman Chemicals) (26, 27). Eicosanoids were
SP:SAMPLEPREP_SUMMARY            	isolated via solid phase extraction, utilizing 25 deuterated internal standards
SP:SAMPLEPREP_SUMMARY            	(28, 29). Sterols and oxysterols: Sterols and oxysterols were extracted using
SP:SAMPLEPREP_SUMMARY            	previously described methods (30). Neutral lipids: Cholesteryl esters (CEs),
SP:SAMPLEPREP_SUMMARY            	TAGs, and DAGs were extracted from weighed liver tissue (0.5-1 mg) suspended in
SP:SAMPLEPREP_SUMMARY            	0.5 ml PBS that had been homogenized by sonication. Extractions of plasma (0.05
SP:SAMPLEPREP_SUMMARY            	ml diluted to 0.1 ml with PBS), urine (1 ml), and tissue sonicates were carried
SP:SAMPLEPREP_SUMMARY            	out using 1 ml hexane:methyl t-butyl ether (1:1, v/v), essentially as previously
SP:SAMPLEPREP_SUMMARY            	described (31). Sphingolipids: Sphingolipids from liver, plasma, and urine were
SP:SAMPLEPREP_SUMMARY            	extracted following previously published procedures (32, 33), with the exception
SP:SAMPLEPREP_SUMMARY            	that methylene chloride was substituted for chloroform for the single-phase
SP:SAMPLEPREP_SUMMARY            	extraction of sphingoid bases. 20. Ivanova P. T., Milne S. B., Byrne M. O.,
SP:SAMPLEPREP_SUMMARY            	Xiang Y., Brown H. A. 2007. Glycerophospholipid identification and quantitation
SP:SAMPLEPREP_SUMMARY            	by electrospray ionization mass spectrometry. Methods Enzymol. 432: 21-57.  21.
SP:SAMPLEPREP_SUMMARY            	Myers D. S., Ivanova P. T., Milne S. B., Brown H. A. 2011. Quantitative analysis
SP:SAMPLEPREP_SUMMARY            	of glycerophospholipids by LC-MS: acquisition, data handling, and
SP:SAMPLEPREP_SUMMARY            	interpretation. Biochim. Biophys. Acta. 1811: 748-757.  22. Quehenberger O.,
SP:SAMPLEPREP_SUMMARY            	Armando A. M., Brown H. A., Milne S. B., Myers D. S., Merrill A. H., Jr,
SP:SAMPLEPREP_SUMMARY            	Bandyopadhyay S., Jones K. N., Kelly S., Shaner R. L., et al. 2010. Lipidomics
SP:SAMPLEPREP_SUMMARY            	reveals a remarkable diversity of lipids in human plasma. J. Lipid Res. 51:
SP:SAMPLEPREP_SUMMARY            	3299-3305.  23. Guan Z., Li S., Smith D., Shaw W., Raetz C. 2007. Identification
SP:SAMPLEPREP_SUMMARY            	of N-acylphosphatidylserine molecules in eukaryotic cells. Biochemistry. 46:
SP:SAMPLEPREP_SUMMARY            	14500-14513.  24. Tan B. K., Bogdanov M., Zhao J., Dowhan W., Raetz C. R., Guan
SP:SAMPLEPREP_SUMMARY            	Z. 2012. Discovery of cardiolipin synthase utilizing phosphatidylethanolamine
SP:SAMPLEPREP_SUMMARY            	and phosphatidylglycerol as substrates. Proc. Natl. Acad. Sci. USA. 109:
SP:SAMPLEPREP_SUMMARY            	16504-16509.  25. Wen R., Lam B., Guan Z. 2013. Aberrant dolichol chain lengths
SP:SAMPLEPREP_SUMMARY            	as biomarkers for retinitis pigmentosa caused by impaired dolichol biosynthesis.
SP:SAMPLEPREP_SUMMARY            	J. Lipid Res. 54: 3516-3522.  26. Quehenberger O., Armando A., Dumlao D.,
SP:SAMPLEPREP_SUMMARY            	Stephens D. L., Dennis E. A. 2008. Lipidomics analysis of essential fatty acids
SP:SAMPLEPREP_SUMMARY            	in macrophages. Prostaglandins Leukot. Essent. Fatty Acids. 79: 123-129.  27.
SP:SAMPLEPREP_SUMMARY            	Quehenberger O., Armando A. M., Dennis E. A. 2011. High sensitivity quantitative
SP:SAMPLEPREP_SUMMARY            	lipidomics analysis of fatty acids in biological samples by gas
SP:SAMPLEPREP_SUMMARY            	chromatography-mass spectrometry. Biochim. Biophys. Acta. 1811: 648-656.  28.
SP:SAMPLEPREP_SUMMARY            	Deems R., Buczynski M. W., Bowers-Gentry R., Harkewicz R., Dennis E. A. 2007.
SP:SAMPLEPREP_SUMMARY            	Detection and quantitation of eicosanoids via high performance liquid
SP:SAMPLEPREP_SUMMARY            	chromatography-electrospray ionization-mass spectrometry. Methods Enzymol. 432:
SP:SAMPLEPREP_SUMMARY            	59-82.  29. Dumlao D. S., Buczynski M. W., Norris P. C., Harkewicz R., Dennis E.
SP:SAMPLEPREP_SUMMARY            	A. 2011. High-throughput lipidomic analysis of fatty acid derived eicosanoids
SP:SAMPLEPREP_SUMMARY            	and N-acylethanolamines. Biochim. Biophys. Acta. 1811: 724-736.  30. McDonald J.
SP:SAMPLEPREP_SUMMARY            	G., Smith D. D., Stiles A. R., Russell D. W. 2012. A comprehensive method for
SP:SAMPLEPREP_SUMMARY            	extraction and quantitative analysis of sterols and secosteroids from human
SP:SAMPLEPREP_SUMMARY            	plasma. J. Lipid Res. 53: 1399-1409.  31. Hutchins P. M., Barkley R. M., Murphy
SP:SAMPLEPREP_SUMMARY            	R. C. 2008. Separation of cellular nonpolar neutral lipids by normal-phase
SP:SAMPLEPREP_SUMMARY            	chromatography and analysis by electrospray ionization mass spectrometry. J.
SP:SAMPLEPREP_SUMMARY            	Lipid Res. 49: 804-813. 32. Shaner R. L., Allegood J. C., Park H., Wang E.,
SP:SAMPLEPREP_SUMMARY            	Kelly S., Haynes C. A., Sullards M. C., Merrill A. H., Jr 2009. Quantitative
SP:SAMPLEPREP_SUMMARY            	analysis of sphingolipids for lipidomics using triple quadrupole and quadrupole
SP:SAMPLEPREP_SUMMARY            	linear ion trap mass spectrometers. J. Lipid Res. 50: 1692-1707.  33. Sullards
SP:SAMPLEPREP_SUMMARY            	M. C., Liu Y., Chen Y., Merrill A. H., Jr 2011. Analysis of mammalian
SP:SAMPLEPREP_SUMMARY            	sphingolipids by liquid chromatography tandem mass spectrometry (LC-MS/MS) and
SP:SAMPLEPREP_SUMMARY            	tissue imaging mass spectrometry (TIMS). Biochim. Biophys. Acta. 1811: 838-853.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	FFAs were analyzed by stable isotope dilution GC-MS after derivatization,
CH:CHROMATOGRAPHY_SUMMARY        	essentially as described previously (26, 27). This method quantifies 33 FAs
CH:CHROMATOGRAPHY_SUMMARY        	including all major and minor saturated FAs, monounsaturated FAs, and PUFAs
CH:CHROMATOGRAPHY_SUMMARY        	containing 12 to 26 carbons. Eicosanoids were analyzed by a stable isotope
CH:CHROMATOGRAPHY_SUMMARY        	dilution LC/MS method utilizing 26 deuterated internal standards (28, 29). The
CH:CHROMATOGRAPHY_SUMMARY        	metabolites were quantified after separation by reverse phase chromatography on
CH:CHROMATOGRAPHY_SUMMARY        	a 2.1 × 100 mm BEH Shield column, 1.7 µM (Waters, Milford, MA) employing an
CH:CHROMATOGRAPHY_SUMMARY        	Acquity UPLC system (Waters). Detection and quantification were performed on an
CH:CHROMATOGRAPHY_SUMMARY        	AB SCIEX 6500 QTrap mass spectrometer equipped with an IonDrive Turbo V source
CH:CHROMATOGRAPHY_SUMMARY        	(AB SCIEX, Framingham, MA), operated in negative ionization mode via MRM, using
CH:CHROMATOGRAPHY_SUMMARY        	standard curves generated from 145 authentic quantification standards (34). The
CH:CHROMATOGRAPHY_SUMMARY        	method analyzes an additional 13 metabolites based on authentic primary
CH:CHROMATOGRAPHY_SUMMARY        	standards, but which cannot be quantified due to the lack of appropriate
CH:CHROMATOGRAPHY_SUMMARY        	internal standards. Data analysis was performed using MultiQuant 2.1 software
CH:CHROMATOGRAPHY_SUMMARY        	(AB SCIEX). 26. Quehenberger O., Armando A., Dumlao D., Stephens D. L., Dennis
CH:CHROMATOGRAPHY_SUMMARY        	E. A. 2008. Lipidomics analysis of essential fatty acids in macrophages.
CH:CHROMATOGRAPHY_SUMMARY        	Prostaglandins Leukot. Essent. Fatty Acids. 79: 123-129. 27. Quehenberger O.,
CH:CHROMATOGRAPHY_SUMMARY        	Armando A. M., Dennis E. A. 2011. High sensitivity quantitative lipidomics
CH:CHROMATOGRAPHY_SUMMARY        	analysis of fatty acids in biological samples by gas chromatography-mass
CH:CHROMATOGRAPHY_SUMMARY        	spectrometry. Biochim. Biophys. Acta. 1811: 648-656.
CH:INSTRUMENT_NAME               	Multiple
CH:COLUMN_NAME                   	Multiple
CH:CHROMATOGRAPHY_TYPE           	Core G
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	-
MS:INSTRUMENT_TYPE               	-
MS:MS_TYPE                       	Other
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/ml
MS_METABOLITE_DATA_START
Samples	NASH001	NASH002	NASH003	NASH004	NASH005	NASH006	NASH007	NASH009	NASH010	NASH011	NASH012	NASH013	NASH014	NASH015	NASH016	NASH017	NASH018	NASH019	NASH020	NASH021	NASH022	NASH023	NASH024	NASH026	NASH027	NASH028	NASH029	NASH030	NASH031	NASH032	NASH033	NASH034	NASH035	NASH036	NASH037	NASH038	NASH039	NASH040	NASH041	NASH042	NASH043	NASH044	NASH045	NASH046	NASH047	NASH048	NASH049	NASH050	NASH051	NASH052	NASH053	NASH054	NASH055	NASH056	NASH057	NASH058	NASH059	NASH060	NASH061	NASH062	NASH064	NASH065	NASH066	NASH067	NASH068	NASH069	NASH070	NASH071	NASH072	NASH073	NASH074	NASH075	NASH076	NASH077	NASH078	NASH079	NASH080	NASH081	NASH082	NASH083	NASH084	NASH085	NASH086	NASH087	NASH088	NASH089	NASH090	NASH091
Factors	Diagnosis:Steatosis	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:NASH	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:NASH	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:Cirrhosis	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:NASH	Diagnosis:NASH	Diagnosis:Steatosis	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:NASH	Diagnosis:NASH	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Steatosis	Diagnosis:NASH	Diagnosis:Steatosis	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:Steatosis	Diagnosis:Steatosis	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Cirrhosis	Diagnosis:Cirrhosis	Diagnosis:Normal	Diagnosis:Steatosis	Diagnosis:NASH	Diagnosis:Steatosis	Diagnosis:NASH	Diagnosis:Steatosis	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:Steatosis	Diagnosis:Normal	Diagnosis:Steatosis	Diagnosis:NASH	Diagnosis:Normal	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:NASH	Diagnosis:Normal	Diagnosis:NASH	Diagnosis:Normal
11b PGF2a	10.271	23.285	NA	31.841	188.817	11.022	28.193	318.080	41.644	155.663	12.216	108.556	2.375	99.787	79.528	17.509	NA	NA	NA	1.038	2.090	0.186	NA	0.703	0.404	NA	NA	NA	NA	NA	NA	0.905	0.015	0.503	1.732	NA	0.589	0.136	NA	NA	NA	0.206	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	3.491	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.223	1.655	12.718	3.350	0.265	1.512	NA	0.832	NA	1.247	2.590	NA	466.221	41.280	58.627	6.369	846.674	1681.079	227.245	36.856	20.684
PGF3a	NA	NA	129.801	NA	652.649	NA	NA	918.230	NA	9.367	169.454	44.883	22.225	3.759	4.072	3.263	NA	1.715	42.565	6.516	349.135	97.600	31.040	82.584	187.341	71.379	47.630	8.017	4.902	14.610	0.232	28.555	NA	25.553	75.152	199.256	NA	NA	3.380	46.272	21.287	NA	0.056	2.715	16.690	8.278	4.181	2.311	58.082	2.095	NA	0.757	2.466	NA	20.249	NA	7.171	59.041	1.913	NA	1.275	NA	1.395	NA	NA	187.672	NA	2.214	64.017	0.597	6.745	8.447	15.197	0.902	42.809	8.474	3.512	102.859	NA	3.415	257.129	0.795	8.936	4.489	11.498	1.975	7.063	3.078
dhk PGF2a	17.852	11.148	NA	NA	2.209	NA	NA	12.262	NA	1.924	0.702	1.104	1.281	9.035	4.136	24.744	NA	0.497	0.065	11.814	7.473	2.268	2.992	42.756	4.549	0.324	0.357	1.606	NA	0.361	2.028	2.705	3.389	2.103	7.004	0.816	0.892	0.312	0.859	0.050	0.280	0.320	0.036	0.235	NA	NA	0.125	0.889	0.302	0.510	NA	NA	4.139	NA	0.149	0.453	NA	0.062	0.243	0.334	0.003	0.304	0.794	0.221	0.138	0.371	NA	2.595	0.402	3.693	2.617	0.101	1.987	1.597	0.367	2.222	1.282	0.420	NA	4.814	2.695	0.329	2.176	3.174	4.012	5.618	1.238	0.501
dhk PGE2	11.189	42.102	0.155	0.501	4.969	0.303	0.348	16.716	3.067	0.289	1.351	10.064	0.258	0.805	1.673	3.705	NA	0.159	0.171	1.845	2.333	1.093	0.617	6.914	2.022	1.350	0.005	1.746	0.936	0.827	0.597	1.314	2.585	0.389	2.558	0.763	1.190	1.206	1.207	0.371	4.561	1.469	0.172	0.126	NA	0.123	2.249	6.550	1.763	3.505	0.262	0.471	11.371	0.008	0.075	1.510	2.414	1.194	3.094	1.219	1.038	2.847	3.994	3.036	1.609	1.943	NA	0.121	0.056	0.209	2.388	0.028	0.040	NA	0.017	0.572	NA	0.083	NA	10.884	25.589	10.052	3.248	38.124	15.717	NA	54.315	5.875
dhk PGD2	1.852	2.424	NA	NA	0.067	NA	NA	1.339	0.376	0.542	0.464	0.373	0.826	0.688	0.349	0.296	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.509	0.003	NA	NA	NA	0.024	0.286	0.896	0.008	0.114	NA	NA	1.840	NA	NA	0.189	0.242	0.053	0.237	NA	NA	0.652	0.528	0.402	NA	NA	NA	0.022	NA	0.043	0.035	NA	0.012	0.085	0.018	0.018	NA	0.110	NA	NA	0.388	0.008	NA	0.097	0.735	1.340	0.470	1.377
PGFM	0.193	11.561	0.466	169.691	0.492	218.997	0.841	1.344	NA	723.061	NA	24.646	NA	4.010	2.930	5.422	NA	11.281	1.613	8.202	5.433	10.676	21.217	57.781	20.014	15.634	NA	NA	3.576	7.399	6.325	6.246	37.942	2.947	6.030	0.345	13.807	NA	NA	1.550	16.926	2.772	0.814	1.938	0.561	4.210	2.687	8.652	1.807	2.417	2.733	3.200	2.087	1.598	5.379	22.446	6.850	1.548	4.162	6.729	3.368	4.789	5.896	2.508	5.041	1.139	NA	0.243	1.750	1.083	3.498	0.615	0.899	0.960	2.582	0.172	0.711	1.871	NA	90.894	19.751	2.510	11.323	47.428	23.697	0.933	9.078	80.810
PGEM	2.174	5.880	NA	18.640	0.591	21.119	0.670	1.581	NA	102.109	1.760	36.739	0.987	8.584	2.304	NA	NA	16.715	0.140	24.577	3.938	6.984	27.529	73.140	37.507	69.571	5.139	NA	NA	40.214	15.716	5.590	32.020	NA	12.308	1.959	2.562	1.513	NA	NA	6.858	4.781	0.525	0.929	1.168	17.735	1.290	11.981	2.804	13.428	19.022	1.583	4.849	1.107	5.546	8.444	25.995	1.630	4.936	2.617	6.712	3.755	3.078	1.631	0.017	2.249	NA	0.914	1.811	0.936	8.044	0.740	1.935	1.999	1.296	0.451	0.749	3.282	NA	66.033	32.272	32.895	6.021	31.003	31.336	386.246	9.614	14.754
5-iso PGF2a VI	3.191	13.399	NA	NA	9.913	0.296	0.236	7.496	4.399	0.265	8.040	18.387	1.763	4.394	32.767	9.726	NA	NA	0.168	1.094	1.705	1.160	2.506	1.347	0.657	0.076	NA	1.190	0.332	0.712	0.748	2.302	2.736	0.439	2.155	1.344	1.767	1.687	0.803	0.376	1.328	1.683	0.973	3.924	NA	0.869	2.603	1.472	1.309	1.340	3.352	0.064	1.443	0.107	0.115	0.598	3.623	0.478	1.833	2.688	0.577	0.455	3.880	2.244	0.646	0.250	NA	1.897	0.135	1.908	0.085	NA	0.388	0.488	0.841	0.166	0.102	0.346	NA	8.893	NA	0.694	0.930	3.358	NA	2.114	3.289	1.657
8-iso PGF2a III	1.678	8.530	1.575	0.571	6.933	0.259	0.627	1.985	0.346	6.199	14.048	1.516	0.138	4.543	13.355	10.753	NA	0.859	0.278	0.628	0.447	0.062	0.470	2.946	0.271	0.221	0.207	1.771	0.052	0.115	0.358	0.893	0.008	NA	0.620	0.260	NA	0.039	1.041	0.058	0.620	NA	0.370	1.009	NA	0.606	0.981	1.872	0.604	0.645	2.329	0.767	7.621	0.111	0.307	3.890	0.885	0.876	1.179	0.006	0.017	6.601	1.176	0.691	2.923	NA	NA	1.547	0.419	0.546	0.222	NA	0.923	0.086	0.726	1.141	0.800	2.245	NA	1.706	3.471	0.107	1.626	3.103	3.760	7.327	4.302	3.615
LTE4	0.416	0.248	NA	NA	1.897	NA	0.882	4.056	0.169	0.024	0.042	1.061	0.062	0.311	1.194	0.396	NA	0.032	NA	0.169	0.648	0.253	0.105	2.557	0.432	0.056	0.530	0.047	0.051	0.011	0.005	0.117	0.119	0.088	0.185	0.007	0.098	NA	0.014	0.573	0.460	0.051	0.089	0.321	0.106	2.182	1.562	0.197	0.474	1.099	0.016	0.113	0.516	0.089	1.393	0.897	0.280	0.075	0.156	0.208	0.493	0.147	0.756	0.587	0.201	0.802	NA	0.127	0.054	0.101	0.037	0.007	0.025	0.024	0.012	0.016	0.022	0.032	NA	0.306	0.408	0.042	0.061	1.007	0.330	0.320	0.107	0.063
13-HODE	0.188	2.053	0.257	0.925	0.176	1.232	0.838	1.295	1.323	0.474	0.456	0.299	0.238	0.332	0.173	0.198	NA	0.491	0.008	1.202	0.534	0.358	3.306	0.827	0.414	0.104	0.152	0.112	0.436	0.158	0.405	0.597	0.110	0.262	0.062	0.326	0.262	0.228	0.518	0.808	0.944	0.179	0.329	0.819	0.506	0.175	0.325	0.359	0.830	0.261	1.461	0.175	0.157	0.771	1.754	0.306	1.533	0.348	0.922	1.224	0.189	0.422	0.344	2.805	1.656	0.205	NA	0.177	0.738	2.402	4.066	0.223	0.394	0.511	1.967	0.776	0.422	7.783	NA	0.340	4.907	1.816	0.230	0.509	0.650	0.750	4.152	0.262
9-HODE	0.040	1.984	0.080	0.816	0.280	1.100	0.187	0.921	1.193	0.257	0.146	0.129	0.053	0.118	0.056	0.690	NA	0.139	0.005	1.923	0.640	0.158	NA	0.935	0.557	NA	0.078	0.136	0.087	0.065	0.501	0.117	0.167	0.119	0.101	0.054	0.086	0.143	0.105	0.178	0.273	0.095	0.182	0.341	0.572	0.016	0.172	0.210	0.033	0.227	0.989	0.120	0.056	0.379	0.347	0.148	0.399	0.138	0.211	0.283	NA	0.371	0.216	0.349	1.586	NA	NA	0.258	0.640	1.926	3.351	0.093	0.208	0.179	1.178	1.090	0.145	6.391	NA	0.381	4.373	1.824	0.135	0.252	0.624	0.776	3.085	0.107
9,10 diHOME	NA	0.090	NA	0.218	43.987	NA	1.240	9.045	8.984	0.036	0.148	5.503	0.095	0.387	5.098	0.236	NA	0.136	2.475	0.279	13.133	2.885	NA	56.233	32.769	0.288	3.839	0.399	0.119	NA	0.143	NA	0.420	0.020	0.235	NA	NA	0.052	0.161	NA	0.054	0.240	0.089	0.043	3.875	0.846	1.734	0.075	0.023	0.613	0.092	0.716	0.710	0.116	1.120	1.170	0.017	0.070	NA	NA	7.982	0.175	0.065	0.006	5.674	9.942	NA	0.093	0.138	0.772	0.116	NA	0.030	1.608	0.164	0.568	0.072	0.092	NA	0.109	0.084	0.127	0.127	0.307	0.240	0.284	0.289	0.095
12,13 diHOME	0.157	0.276	0.051	0.046	1.880	0.195	0.271	1.030	0.148	0.041	0.168	0.651	0.079	0.624	0.296	0.159	NA	0.071	0.131	0.087	0.773	0.330	NA	3.955	2.941	0.165	0.277	0.206	0.156	NA	0.167	0.031	0.081	0.027	0.039	0.040	NA	0.046	0.029	NA	0.018	0.428	0.041	0.040	0.753	0.176	0.305	NA	NA	0.203	0.271	0.456	0.354	NA	0.113	NA	0.004	NA	0.016	0.019	0.429	0.134	NA	NA	0.832	0.185	NA	NA	NA	0.008	0.012	NA	NA	1.036	NA	0.186	NA	NA	NA	NA	NA	0.032	0.030	0.082	NA	0.110	0.264	0.000
2,3 dinor 8-iso PGF2a	46.303	27.664	17.789	7.641	131.206	3.586	3.935	117.198	4.477	12.927	270.003	23.983	12.459	21.580	100.211	228.220	NA	0.622	22.762	16.750	12.870	6.674	13.248	12.464	7.499	2.354	6.502	3.242	6.952	25.593	30.782	21.785	35.119	2.360	24.462	6.746	41.602	7.496	1.528	15.201	13.997	72.181	15.966	26.744	3.032	7.522	27.947	171.828	11.693	11.415	15.705	17.578	122.006	14.257	16.539	52.141	16.043	31.508	124.897	93.409	3.249	121.011	10.708	11.080	39.838	11.100	NA	54.586	8.984	91.136	13.344	1.529	32.295	12.768	35.905	2.298	16.639	26.929	NA	22.137	56.687	6.382	37.471	21.094	9.814	47.787	24.465	3.379
FA(14:0)	NA	NA	15.1	81.1	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	47.7	621.9	NA	746.2	1073.2	1116.9	81.4	2785.4	1643.7	NA	197.1	224.1	515.8	196.1	138.2	221.2	NA	NA	124.4	25.0	51.8	121.7	NA	NA	NA	NA	312.1	75.0	NA	155.3	NA	NA	NA	NA	NA	NA	NA	26.9	98.5	334.6	NA	NA	NA	NA	9.3	13.7	NA	463.9	NA	NA	NA	NA	3513.7	NA	NA	NA	NA	227.3	650.6	NA	NA	16162.7	10801.4	1641.4	830.1	1359.5	3546.2	110.6	1427.0	NA	43.6
FA(15:0)	NA	NA	NA	NA	NA	NA	NA	7.3	NA	NA	NA	NA	NA	NA	NA	NA	NA	62.2	169.8	NA	100.8	254.9	139.0	10.7	297.5	768.0	NA	66.9	NA	37.9	13.1	NA	9.9	NA	NA	23.5	8.9	NA	34.3	7.0	NA	16.6	NA	28.5	12.8	31.9	50.5	4.0	22.6	NA	7.7	8.0	5.6	NA	49.4	26.3	194.3	50.5	19.2	34.0	NA	31.1	28.2	16.7	186.4	NA	NA	NA	NA	2355.0	NA	NA	NA	NA	37.1	151.3	NA	NA	1824.5	1646.0	226.2	134.3	311.6	659.9	16.5	240.3	NA	8.1
FA(16:0)	149.6	114.6	134.4	479.6	58.4	273.5	305.8	1320.8	NA	NA	NA	37.8	NA	3024.9	274.9	45.4	NA	2423.5	8992.2	NA	5990.5	8763.8	7634.0	1477.2	10408.9	15921.4	NA	3094.9	302.5	2470.1	569.4	1604.6	816.5	54.4	NA	1468.0	843.9	339.9	552.7	300.7	NA	NA	NA	564.0	705.3	397.9	889.5	590.0	62.4	NA	197.6	NA	1327.8	NA	3437.2	946.2	1048.4	NA	885.9	NA	NA	537.9	504.2	499.3	3527.7	169.9	NA	NA	NA	61946.4	NA	NA	NA	NA	2700.0	7071.6	NA	NA	131778.0	104617.3	11238.0	6933.6	14156.6	41267.7	404.6	14194.1	379.9	212.6
FA(16:1)	0.2	5.9	0.8	4.2	2.1	1.3	28.2	7.5	NA	NA	0.2	0.2	NA	0.3	0.1	3.0	NA	NA	752.8	NA	430.3	697.1	337.3	9.3	505.3	888.2	NA	199.0	NA	68.1	11.5	8.1	19.2	NA	NA	6.3	NA	NA	2.5	35.8	2.6	13.5	4.3	37.2	19.8	19.9	84.4	NA	15.7	6.0	NA	8.6	NA	5.2	66.3	10.3	30.4	NA	19.4	16.2	NA	42.7	28.9	73.3	430.1	12.1	NA	NA	NA	375.4	0.7	NA	NA	NA	195.8	515.8	NA	28.3	19149.8	14366.5	93.3	500.2	1534.8	5232.4	32.9	1006.2	8.0	0.3
FA(17:0)	NA	NA	24.8	6.7	NA	3.9	3.9	16.9	NA	NA	NA	2.7	NA	11.4	NA	NA	NA	35.6	164.0	NA	143.2	230.7	214.6	37.1	694.2	657.4	NA	61.1	4.9	86.5	32.0	35.5	25.8	NA	NA	15.1	42.1	16.9	54.4	18.2	1.3	NA	NA	18.1	15.8	23.4	38.2	NA	22.6	NA	NA	2.0	0.7	NA	60.5	NA	72.7	8.7	9.9	2.5	NA	17.1	41.8	26.9	195.2	NA	NA	NA	NA	2585.6	NA	NA	NA	NA	131.3	315.9	NA	NA	3185.0	1897.7	364.5	200.1	350.3	1176.3	27.0	467.0	NA	0.0
FA(17:1)	NA	0.2	16.3	0.9	0.3	0.3	4.6	1.5	NA	NA	NA	NA	NA	0.8	0.9	1.9	NA	14.8	77.0	NA	44.0	93.9	51.4	8.5	131.8	106.8	NA	20.2	NA	8.0	6.4	1.3	5.7	NA	NA	9.1	4.2	NA	12.0	3.1	0.4	7.0	0.9	8.7	2.7	1.2	13.1	NA	4.8	NA	NA	NA	NA	3.2	6.0	NA	27.5	NA	2.3	NA	NA	9.8	3.8	9.4	78.4	0.7	NA	2.3	NA	160.0	NA	NA	2.8	NA	42.8	83.6	NA	17.4	2750.0	1233.0	18.7	69.8	143.4	289.3	3.8	107.1	2.0	0.0
FA(18:0)	98.9	33.2	424.3	150.8	140.6	161.0	186.5	1091.4	66.9	NA	NA	84.2	37.2	3457.8	368.7	123.9	NA	2276.0	4213.8	24.9	3526.5	6367.8	3161.8	1485.9	8509.4	7440.2	216.9	1506.7	438.2	1779.0	1154.5	1111.2	960.1	NA	NA	1240.4	429.3	532.6	1564.7	174.1	NA	NA	NA	145.4	413.0	234.4	178.2	576.3	233.0	NA	181.2	NA	1324.6	104.1	3128.5	NA	317.1	NA	943.8	NA	NA	330.0	623.4	492.5	1108.8	270.7	NA	NA	NA	112601.8	NA	NA	NA	NA	NA	2310.6	NA	NA	50188.1	47754.2	5481.9	3799.6	7242.3	26281.3	151.0	9469.4	306.1	0.0
FA(18:1)	33.9	74.1	127.2	106.6	10.2	14.2	421.6	100.7	NA	NA	NA	54.9	NA	176.8	9.5	0.9	NA	206.9	9167.6	NA	2629.1	3665.2	3337.9	279.4	11653.4	2429.4	NA	1303.7	NA	199.2	NA	NA	NA	NA	NA	NA	NA	NA	NA	433.0	1119.0	NA	NA	325.0	1197.8	529.6	1514.7	NA	NA	823.3	NA	NA	NA	NA	1062.1	326.1	519.1	547.7	59.8	NA	NA	985.6	34.5	1127.3	7014.7	NA	NA	1271.2	NA	14364.9	NA	NA	NA	NA	2036.5	3633.1	NA	NA	30502.0	23039.8	782.9	3475.4	12976.8	15496.1	60.9	6332.3	NA	0.0
FA(18:2)	41.6	313.3	272.9	190.8	30.9	33.8	1031.6	109.8	23.2	11.5	28.5	74.7	17.1	65.3	43.4	27.7	NA	88.4	5085.9	NA	3368.2	3689.9	1794.5	9.2	4450.9	2851.0	NA	2000.0	NA	62.4	174.1	NA	97.7	NA	NA	NA	NA	NA	NA	517.0	145.5	34.0	0.7	485.5	629.1	413.5	757.8	28.4	229.3	161.5	3.6	253.2	96.0	223.8	797.9	227.3	292.8	44.0	280.8	284.7	152.7	223.6	378.4	934.4	3787.4	79.1	NA	NA	NA	6384.8	272.3	NA	NA	NA	1759.0	3099.1	NA	40.2	32903.7	23579.6	1656.7	4848.6	15508.2	29131.1	282.2	18279.1	139.7	31.3
FA(18:3 N3)	0.7	1.0	6.7	0.5	1.5	NA	1.7	2.8	NA	NA	NA	NA	NA	NA	0.8	0.1	NA	NA	43.8	NA	53.0	62.9	41.8	11.1	141.2	146.7	NA	10.6	NA	55.5	45.4	4.8	29.9	NA	NA	47.8	5.9	NA	46.0	11.7	0.4	1.5	NA	7.5	4.6	8.9	18.5	NA	3.2	3.7	NA	3.1	0.7	NA	16.4	20.4	7.4	0.2	1.9	0.4	6.8	4.8	2.6	2.7	30.1	2.0	NA	78.4	NA	0.6	NA	NA	NA	NA	41.6	294.2	NA	27.9	250.7	236.1	2.3	108.0	247.7	522.7	7.0	231.1	NA	0.0
FA(18:3 N6)	4.3	26.1	5.6	18.0	5.7	4.3	519.2	24.3	4.0	2.2	1.6	4.4	1.8	3.9	3.9	2.0	NA	NA	480.4	NA	387.7	427.0	373.4	18.1	467.9	843.6	NA	122.8	NA	23.0	85.7	NA	21.1	NA	NA	70.0	NA	NA	10.9	31.4	4.5	NA	NA	18.0	20.4	30.1	70.0	NA	8.0	8.9	NA	12.5	1.2	NA	57.6	3.4	21.4	2.5	15.1	4.9	5.5	20.2	20.8	43.4	296.9	8.4	NA	NA	NA	113.2	34.3	NA	NA	NA	148.4	301.0	NA	14.4	3008.2	2142.5	179.5	575.5	2252.5	2926.2	26.4	1813.8	14.2	2.7
FA(18:4)	NA	0.9	3.7	0.9	0.5	NA	0.2	2.2	NA	NA	0.1	0.2	NA	0.1	0.8	0.2	NA	0.5	22.7	NA	38.7	38.1	52.7	15.5	100.8	106.8	NA	10.5	NA	13.8	22.8	11.7	21.8	NA	1.2	24.1	5.9	0.8	23.7	4.6	0.1	NA	NA	4.4	2.9	4.2	11.6	0.1	1.9	2.4	NA	1.7	1.2	NA	9.3	1.1	3.9	NA	2.6	0.7	0.2	2.9	1.2	1.1	29.6	0.7	NA	NA	NA	NA	NA	NA	NA	NA	15.3	46.2	NA	NA	40.8	91.3	3.2	27.6	23.4	211.4	2.0	53.8	1.2	0.3
FA(20:0)	0.1	NA	12.0	0.6	NA	NA	0.5	14.6	1.5	NA	NA	1.2	NA	13.5	1.4	NA	NA	13.5	76.0	0.5	60.2	85.2	73.5	16.3	48.6	25.0	NA	19.7	1.8	52.6	19.8	11.0	12.8	NA	NA	7.3	10.2	5.4	21.7	5.7	NA	NA	NA	1.3	NA	3.4	8.8	NA	6.6	NA	NA	NA	0.2	4.2	46.9	NA	24.5	NA	0.9	6.8	NA	0.5	9.3	6.7	72.9	NA	NA	NA	NA	1943.9	NA	NA	NA	NA	48.6	127.3	NA	NA	180.7	1099.6	13.2	26.1	95.2	253.4	4.2	107.7	1.5	0.0
FA(20:1)	NA	NA	0.4	NA	NA	NA	0.6	1.4	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.1	31.5	NA	20.9	25.8	8.5	0.7	39.5	20.2	NA	3.1	NA	NA	NA	NA	6.5	NA	NA	NA	NA	NA	6.2	3.5	NA	NA	NA	2.5	4.7	1.5	4.7	NA	NA	NA	NA	NA	NA	NA	7.5	NA	10.8	NA	NA	NA	NA	0.9	3.2	2.9	37.0	NA	NA	NA	NA	367.9	NA	NA	NA	NA	2.5	32.3	NA	NA	1595.2	1658.1	NA	43.9	110.3	168.0	NA	99.5	NA	0.0
FA(20:2)	0.8	0.7	1.9	0.6	0.6	NA	3.3	9.2	0.3	NA	NA	0.8	NA	NA	NA	NA	NA	2.0	190.6	NA	104.3	160.6	50.4	NA	77.4	72.3	NA	22.4	NA	NA	NA	NA	NA	NA	NA	NA	5.3	NA	0.7	6.6	2.8	NA	NA	5.2	11.2	5.4	8.8	NA	4.9	0.7	NA	3.2	1.2	1.9	17.3	0.8	7.3	1.7	3.3	3.9	1.0	2.7	7.3	21.2	86.5	1.8	NA	NA	NA	1316.6	NA	NA	NA	NA	111.9	161.6	NA	NA	1740.7	1525.1	6.8	45.4	116.9	252.6	1.3	50.0	2.3	1.3
FA(20:3 N3)	NA	NA	5.2	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	5.7	50.2	4.0	22.3	50.2	37.8	9.9	78.6	79.3	1.5	10.1	0.1	25.2	12.3	2.5	8.7	0.7	2.9	9.5	12.5	4.1	21.5	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.3	NA	NA	0.4	NA	184.5	NA	NA	NA	NA	34.3	NA	NA	NA	318.2	151.2	NA	12.0	64.9	52.6	NA	6.5	NA	0.0
FA(20:3 N6)	0.7	0.1	4.0	2.6	0.9	0.3	7.2	1.5	0.1	NA	NA	1.4	NA	0.1	2.8	0.1	NA	17.6	87.3	NA	46.9	80.6	8.2	1.0	12.7	44.3	3.9	32.8	NA	15.0	NA	8.7	0.8	NA	NA	3.7	0.4	NA	12.7	2.4	2.5	0.3	NA	3.4	19.1	3.3	9.1	NA	2.1	1.0	0.2	4.0	2.8	0.8	4.3	NA	0.4	NA	0.3	7.6	NA	3.1	4.1	11.9	58.1	4.1	NA	NA	NA	485.3	NA	NA	NA	4.4	50.6	76.0	NA	NA	2064.0	1722.5	3.1	4.2	27.0	15.6	0.6	23.6	0.2	0.5
FA(20:3 N9)	NA	0.7	5.1	0.2	0.2	0.2	1.3	2.4	1.0	0.2	NA	NA	NA	NA	0.3	0.2	NA	NA	7.8	NA	33.9	11.8	19.4	11.8	50.7	100.7	NA	2.9	NA	12.8	2.4	0.7	2.0	NA	NA	26.0	10.7	NA	89.0	2.8	0.5	0.8	NA	0.4	1.9	0.4	1.4	0.3	0.9	1.6	NA	1.0	1.1	NA	3.2	NA	NA	NA	0.2	NA	NA	1.4	1.7	2.6	24.8	0.9	NA	NA	NA	24.2	1.9	NA	NA	NA	100.9	37.5	NA	NA	340.8	350.8	1.7	7.5	154.2	122.9	0.3	5.3	NA	0.1
FA(20:4)	2.1	15.7	30.5	24.7	1.6	0.8	11.4	8.4	0.9	0.8	2.5	3.2	0.9	2.0	4.2	1.9	NA	48.6	220.1	0.9	84.1	297.9	84.1	16.5	21.2	91.1	8.6	57.1	0.7	39.2	14.3	NA	9.2	NA	NA	NA	NA	NA	NA	9.8	2.9	2.8	NA	8.3	70.4	24.7	11.3	NA	4.8	4.2	1.6	9.9	7.3	11.8	11.6	73.6	6.7	7.5	2.0	13.1	6.8	5.2	11.6	27.5	73.8	6.7	NA	NA	NA	1725.4	20.1	NA	NA	3.9	72.4	58.7	NA	11.5	6199.2	3676.8	87.7	92.3	321.3	337.2	9.9	175.4	7.7	11.5
FA(20:5)	NA	0.2	19.2	0.1	NA	NA	NA	6.8	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	72.8	2.3	25.4	25.4	45.5	NA	72.9	36.8	NA	NA	NA	20.8	NA	5.0	NA	NA	NA	17.4	NA	NA	6.8	2.5	NA	NA	NA	1.8	3.6	20.3	6.7	NA	NA	NA	NA	2.4	1.2	1.8	3.4	24.1	1.9	0.8	1.0	1.7	10.1	0.2	NA	1.3	18.5	NA	NA	50.2	NA	47.4	NA	NA	NA	NA	22.1	19.4	NA	NA	585.3	491.1	2.3	12.0	50.2	594.1	NA	101.7	NA	0.0
FA(22:0)	NA	1.3	15.9	7.3	0.2	2.4	2.5	9.0	0.1	NA	NA	2.2	NA	0.5	1.8	0.1	NA	5.2	61.5	5.4	29.8	33.3	89.9	19.4	240.6	104.9	NA	34.1	NA	73.4	12.1	36.7	NA	NA	3.6	36.0	4.2	2.7	75.2	19.5	25.4	NA	NA	19.5	70.8	25.0	15.5	5.9	40.4	NA	NA	NA	NA	31.0	97.3	NA	69.6	0.1	11.0	35.9	NA	3.8	30.4	33.7	76.2	1.6	NA	NA	NA	4633.6	NA	NA	8.8	NA	81.8	61.8	NA	NA	181.9	316.7	4.9	27.5	77.7	321.8	7.1	60.7	5.4	0.0
FA(22:1)	NA	NA	4.7	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.2	NA	NA	11.5	63.8	NA	52.4	343.1	88.4	15.8	297.3	297.4	NA	32.2	NA	56.0	22.6	8.9	16.1	NA	NA	18.0	1.7	NA	12.1	9.0	0.2	NA	NA	6.2	29.7	3.5	25.9	NA	13.6	NA	NA	40.3	NA	NA	23.6	NA	20.8	NA	NA	4.8	NA	NA	10.1	12.9	181.1	NA	NA	NA	NA	181.3	NA	NA	NA	57.8	266.7	370.7	NA	NA	103.7	509.7	NA	16.9	36.3	163.8	NA	106.0	NA	0.0
FA(22:2)	NA	NA	7.4	NA	NA	NA	NA	1.4	NA	NA	NA	NA	NA	NA	NA	NA	NA	2.2	68.7	1.0	33.8	50.3	33.0	13.0	157.2	169.1	NA	10.8	NA	25.1	12.2	10.1	18.1	0.2	0.3	17.5	4.7	2.0	16.3	4.1	NA	NA	NA	NA	4.5	4.9	15.0	NA	0.6	NA	NA	1.8	NA	NA	13.9	NA	3.7	NA	2.2	NA	NA	1.5	0.9	1.5	98.7	NA	NA	NA	NA	220.5	NA	NA	NA	NA	49.6	69.1	NA	NA	75.6	295.6	0.2	13.4	61.5	114.3	0.5	30.6	NA	0.0
FA(22:3)	0.4	0.3	1.0	0.6	NA	NA	NA	0.4	NA	NA	NA	NA	NA	0.3	0.3	0.5	NA	NA	22.0	NA	11.2	18.6	18.9	2.7	38.8	144.8	NA	5.9	NA	10.1	2.8	2.7	0.2	NA	NA	5.1	2.1	1.8	2.1	2.3	NA	NA	0.5	0.3	1.2	5.2	4.8	NA	2.7	1.1	NA	2.9	NA	NA	6.7	0.1	1.4	0.7	0.5	NA	NA	3.4	2.3	1.8	57.3	1.0	NA	NA	NA	609.6	NA	NA	NA	NA	NA	70.5	NA	NA	15.9	367.7	NA	8.1	43.4	155.0	1.7	41.9	NA	0.0
FA(22:4)	NA	0.9	2.7	0.1	0.5	NA	0.3	1.6	0.5	0.1	0.3	NA	NA	NA	NA	NA	NA	1.5	58.8	NA	37.0	22.8	17.5	0.5	93.4	58.4	0.7	34.7	NA	14.0	NA	12.5	0.3	NA	NA	14.0	4.7	NA	29.8	1.2	NA	NA	NA	0.7	10.5	NA	NA	NA	NA	NA	NA	NA	NA	NA	5.4	1.6	3.4	1.2	1.3	NA	NA	0.8	1.5	14.2	74.0	NA	NA	NA	NA	98.6	NA	NA	NA	NA	46.9	64.3	NA	NA	1941.2	2367.3	NA	30.3	57.5	235.4	0.9	7.1	NA	0.0
FA(22:5 N3)	1.4	1.5	1.0	2.0	1.9	1.1	2.3	1.1	1.0	0.8	0.7	2.2	0.6	1.4	1.6	1.0	NA	2.9	114.3	1.4	102.2	49.9	43.1	14.2	71.8	92.4	0.4	17.0	NA	9.1	8.2	3.4	15.0	NA	1.2	18.9	19.5	NA	21.6	2.4	NA	NA	NA	2.1	7.7	4.7	5.6	NA	0.7	1.7	NA	1.2	NA	0.2	5.6	0.3	0.8	0.8	NA	0.4	NA	2.6	2.1	3.0	40.1	1.1	NA	NA	NA	53.7	NA	NA	NA	NA	35.6	16.5	NA	NA	698.3	1031.0	7.0	18.5	78.8	121.7	2.3	41.0	3.7	3.9
FA(22:5 N6)	NA	0.3	2.1	0.4	NA	NA	1.4	0.4	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.7	98.9	NA	141.2	107.8	59.4	6.1	182.0	114.3	NA	12.8	NA	14.2	19.9	2.4	18.1	NA	NA	20.4	3.7	NA	14.7	NA	NA	NA	NA	1.5	2.8	3.2	6.2	NA	NA	NA	NA	NA	NA	NA	5.5	NA	NA	NA	NA	NA	NA	1.6	1.6	4.0	50.9	NA	NA	NA	NA	120.9	NA	NA	NA	NA	24.4	17.9	NA	NA	1839.2	3247.7	3.6	28.2	84.0	181.1	2.1	58.5	0.3	0.2
FA(22:6)	1.9	11.9	10.9	5.6	9.8	1.3	4.4	2.4	16.3	0.8	0.9	3.0	0.7	1.9	2.8	0.8	NA	9.0	73.2	1.8	199.9	166.0	54.4	12.2	177.8	288.7	NA	24.6	NA	13.0	15.9	11.4	21.4	0.1	6.9	41.5	10.4	NA	26.5	6.5	0.5	0.2	NA	3.7	17.9	5.8	5.3	NA	1.1	4.9	NA	5.1	0.6	1.2	7.0	19.3	2.8	1.2	5.0	1.9	2.5	3.0	3.3	7.4	58.8	3.5	NA	NA	NA	288.3	NA	NA	NA	NA	37.5	42.2	NA	NA	2208.7	2841.9	15.5	42.5	106.0	348.0	6.6	69.2	5.6	4.3
FA(23:0)	NA	0.1	0.1	0.3	NA	NA	0.2	NA	0.1	NA	NA	0.1	NA	NA	0.1	NA	NA	NA	47.4	NA	11.7	11.1	41.7	1.7	52.2	210.5	NA	NA	NA	16.4	8.1	1.8	10.1	NA	NA	3.2	4.7	NA	4.6	2.1	2.3	0.8	1.3	2.8	14.2	3.1	4.5	1.8	3.6	NA	NA	0.4	0.2	1.3	14.5	0.7	10.5	NA	1.8	2.0	0.5	2.4	5.2	3.1	18.5	1.3	NA	NA	NA	434.6	NA	NA	NA	NA	24.5	60.8	NA	0.1	24.6	225.7	0.4	11.1	81.7	150.4	1.3	22.4	0.2	0.0
FA(24:0)	0.1	1.8	1.6	5.8	0.2	NA	2.6	NA	0.5	NA	NA	2.8	NA	NA	1.2	NA	NA	6.4	57.5	NA	23.4	43.5	61.1	NA	107.3	185.6	NA	8.8	NA	24.2	8.8	48.7	21.0	NA	0.3	6.2	1.8	6.6	28.7	24.0	34.4	2.4	6.4	19.2	89.5	20.5	17.9	17.7	48.3	3.2	2.0	3.1	3.1	30.4	128.9	3.4	104.9	9.0	23.7	42.3	2.8	6.3	49.8	43.9	62.0	6.5	NA	NA	NA	2530.0	NA	NA	18.4	NA	38.8	116.6	NA	NA	207.2	496.1	4.4	19.4	95.3	521.8	8.0	25.3	3.5	0.0
FA(24:1)	NA	0.1	0.7	1.9	0.1	0.1	0.3	0.5	0.1	NA	NA	0.3	NA	0.1	0.1	NA	NA	0.3	10.0	NA	6.5	10.5	13.6	2.1	10.9	74.9	1.5	1.2	0.1	7.6	2.4	1.7	3.8	0.3	0.8	2.1	3.0	1.3	4.2	1.1	2.3	0.5	0.7	0.7	12.4	0.9	1.9	0.5	1.8	NA	NA	NA	NA	1.9	3.9	NA	2.5	NA	1.2	1.5	0.1	1.6	4.9	2.6	10.7	1.7	NA	NA	NA	204.5	NA	NA	NA	NA	7.0	16.5	NA	0.1	73.5	212.9	2.4	2.1	36.9	76.1	0.5	21.7	NA	0.0
FA(26:0)	NA	1.5	2.4	NA	NA	NA	1.6	0.8	NA	NA	NA	0.6	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.9	0.9	NA	27.3	2.8	NA	NA	NA	NA	NA	24.3	NA	NA	NA	NA	NA	NA	11.9	14.9	25.0	1.6	3.4	14.0	5.0	20.1	15.4	13.9	28.6	1.7	5.7	4.8	4.2	14.1	115.7	6.6	83.1	12.5	9.3	29.2	2.0	5.6	50.2	28.8	29.8	NA	NA	NA	NA	1483.5	NA	NA	1.9	NA	NA	76.0	NA	NA	42.8	317.7	4.0	7.5	42.4	344.3	8.6	37.9	2.2	0.0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
11b PGF2a
PGF3a
dhk PGF2a
dhk PGE2
dhk PGD2
PGFM
PGEM
5-iso PGF2a VI
8-iso PGF2a III
LTE4
13-HODE
9-HODE
9,10 diHOME
12,13 diHOME
2,3 dinor 8-iso PGF2a
FA(14:0)
FA(15:0)
FA(16:0)
FA(16:1)
FA(17:0)
FA(17:1)
FA(18:0)
FA(18:1)
FA(18:2)
FA(18:3 N3)
FA(18:3 N6)
FA(18:4)
FA(20:0)
FA(20:1)
FA(20:2)
FA(20:3 N3)
FA(20:3 N6)
FA(20:3 N9)
FA(20:4)
FA(20:5)
FA(22:0)
FA(22:1)
FA(22:2)
FA(22:3)
FA(22:4)
FA(22:5 N3)
FA(22:5 N6)
FA(22:6)
FA(23:0)
FA(24:0)
FA(24:1)
FA(26:0)
METABOLITES_END
#END