#METABOLOMICS WORKBENCH michaelsa93_20170719_123145_mwtab.txt DATATRACK_ID:1156 STUDY_ID:ST000802 ANALYSIS_ID:AN001274 PROJECT_ID:PR000576
VERSION             	1
CREATED_ON             	July 20, 2017, 3:07 pm
#PROJECT
PR:PROJECT_TITLE                 	Insights into myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS)
PR:PROJECT_TITLE                 	phenotypes through comprehensive metabolomics
PR:PROJECT_SUMMARY               	The pathogenesis of ME/CFS, a disease characterized by unexplained debilitating
PR:PROJECT_SUMMARY               	fatigue, cognitive dysfunction, sleep disturbances, orthostatic intolerance,
PR:PROJECT_SUMMARY               	fever, lymphadenopathy and irritable bowel syndrome (IBS), is poorly understood.
PR:PROJECT_SUMMARY               	There are no validated diagnostic tests or interventions to mitigate disease.
PR:PROJECT_SUMMARY               	Here we report association modeling, biomarker discovery, biochemical enrichment
PR:PROJECT_SUMMARY               	analysis and topological network visualization of plasma metabolomic, fecal
PR:PROJECT_SUMMARY               	bacterial metagenomic and clinical data from 50 ME/CFS patients and 50 healthy
PR:PROJECT_SUMMARY               	controls.
PR:INSTITUTE                     	Columbia University
PR:DEPARTMENT                    	Center for Infection and Immunity, Mailman School of Public Health
PR:LAST_NAME                     	Lipkin
PR:FIRST_NAME                    	Ian
PR:ADDRESS                       	722 West 168th Street, Room 1703a, New York, NY USA 10032
PR:EMAIL                         	wil2001@columbia.edu
PR:PHONE                         	212-342-9044
#STUDY
ST:STUDY_TITLE                   	Insights into myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS)
ST:STUDY_TITLE                   	phenotypes through comprehensive metabolomics (part III))
ST:STUDY_TYPE                    	Observational
ST:STUDY_SUMMARY                 	The pathogenesis of ME/CFS, a disease characterized by unexplained debilitating
ST:STUDY_SUMMARY                 	fatigue, cognitive dysfunction, sleep disturbances, orthostatic intolerance,
ST:STUDY_SUMMARY                 	fever, lymphadenopathy and irritable bowel syndrome (IBS), is poorly understood.
ST:STUDY_SUMMARY                 	There are no validated diagnostic tests or interventions to mitigate disease.
ST:STUDY_SUMMARY                 	Here we report association modeling, biomarker discovery, biochemical enrichment
ST:STUDY_SUMMARY                 	analysis and topological network visualization of plasma metabolomic, fecal
ST:STUDY_SUMMARY                 	bacterial metagenomic and clinical data from 50 ME/CFS patients and 50 healthy
ST:STUDY_SUMMARY                 	controls. Through targeted and untargeted metabolomics analyses we confirm
ST:STUDY_SUMMARY                 	earlier reports of specific alterations in plasma levels of choline, carnitine
ST:STUDY_SUMMARY                 	and complex lipid metabolism in ME/CFS. We also demonstrate that patients with
ST:STUDY_SUMMARY                 	ME/CFS and IBS have a unique metabolomic profile that includes increased plasma
ST:STUDY_SUMMARY                 	levels of ceramide, a waxy lipid implicated in suppression of electron
ST:STUDY_SUMMARY                 	transport, insulin and leptin resistance and apoptosis. Integration of fecal
ST:STUDY_SUMMARY                 	metagenomic and plasma metabolomic data resulted in a stronger predictive model
ST:STUDY_SUMMARY                 	of ME/CFS (cross-validated AUC=0.836) than either metagenomic (cross-validated
ST:STUDY_SUMMARY                 	AUC=0.745) or metabolomic (cross-validated AUC=0.820) analysis alone. Our
ST:STUDY_SUMMARY                 	findings may provide insights into the pathogenesis of ME/CFS and ME/CFS
ST:STUDY_SUMMARY                 	subtypes, and suggest pathways for the development of diagnostic and therapeutic
ST:STUDY_SUMMARY                 	strategies.
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Fiehn
ST:FIRST_NAME                    	Oliver
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
ST:ADDRESS                       	CA 95616
ST:EMAIL                         	ofiehn@ucdavis.edu
ST:PHONE                         	(530) 754-8258
ST:STUDY_COMMENTS                	Key: MECFS: 1 in this column indicates case, while 0 indicates control IBS: 1 in
ST:STUDY_COMMENTS                	this column indicates the patient does have disease, 0 indicates free of IBS
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	22-ESP-0007_001	ESP-0007	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=70; weight (lbs.)=154; bmi=22.09; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	23-ESP-0020_002	ESP-0020	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=70; weight (lbs.)=230; bmi=33; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	24-ESP-0033_003	ESP-0033	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=75; weight (lbs.)=252; bmi=31.49; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	25-ESP-0046_004	ESP-0046	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=148; bmi=27.96; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	26-ESP-0059_005	ESP-0059	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=140; bmi=21.28; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	27-ESP-0072_006	ESP-0072	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=76; weight (lbs.)=206; bmi=25.07; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	28-ESP-0085_007	ESP-0085	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=175; bmi=30.04; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	29-ESP-0098_008	ESP-0098	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=58; weight (lbs.)=130; bmi=27.17; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	30-ESP-0111_009	ESP-0111	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=165.4; bmi=25.9; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	31-ESP-0124_010	ESP-0124	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=143; bmi=23.79; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	35-ESP-0137_011	ESP-0137	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=147; bmi=19.93; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	36-ESP-0150_012	ESP-0150	CaseStatus:Control | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=158; bmi=24.02; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	37-ESP-0163_013	ESP-0163	CaseStatus:Control | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=178; bmi=24.14; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	38-ESP-0176_014	ESP-0176	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=125; bmi=19.58; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	39-ESP-0189_015	ESP-0189	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=200; bmi=34.33; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	40-ESP-0202_016	ESP-0202	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=62; weight (lbs.)=140; bmi=25.6; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	41-ESP-0215_017	ESP-0215	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=150; bmi=25.74; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	42-ESP-0228_018	ESP-0228	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=124.6; bmi=21.39; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	43-ESP-0241_019	ESP-0241	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=62.5; weight (lbs.)=180; bmi=32.39; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	44-ESP-0254_020	ESP-0254	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=118; bmi=20.25; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	48-ESP-0267_021	ESP-0267	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=156; bmi=27.63; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	49-ESP-0280_022	ESP-0280	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=69; weight (lbs.)=207; bmi=30.57; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	50-ESP-0293_023	ESP-0293	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=160; bmi=30.23; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	51-ESP-0306_024	ESP-0306	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=230; bmi=36.02; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	52-ESP-0319_025	ESP-0319	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=62; weight (lbs.)=120; bmi=21.95; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	53-ESP-0332_026	ESP-0332	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=68.5; weight (lbs.)=140.5; bmi=21.05; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	54-ESP-0345_027	ESP-0345	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=145; bmi=22.71; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	55-ESP-0358_028	ESP-0358	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=128.8; bmi=21.43; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	56-ESP-0371_029	ESP-0371	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=62; weight (lbs.)=231; bmi=42.25; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	57-ESP-0384_030	ESP-0384	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=159; bmi=26.46; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	65-ESP-0397_031	ESP-0397	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=71; weight (lbs.)=149; bmi=20.78; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	66-ESP-0410_032	ESP-0410	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=60; weight (lbs.)=157.4; bmi=30.74; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	67-ESP-0423_033	ESP-0423	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=166.4; bmi=28.56; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	68-ESP-0436_034	ESP-0436	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=63; weight (lbs.)=122; bmi=21.61; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	69-ESP-0449_035	ESP-0449	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=170; bmi=30.11; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	70-ESP-0462_036	ESP-0462	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=189; bmi=28.73; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	71-ESP-0475_037	ESP-0475	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=142; bmi=24.37; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	72-ESP-0488_038	ESP-0488	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=150; bmi=26.57; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	73-ESP-0501_039	ESP-0501	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=160; bmi=27.46; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	74-ESP-0514_040	ESP-0514	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=144; bmi=23.96; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	78-ESP-0527_041	ESP-0527	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=120; bmi=19.97; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	79-ESP-0540_042	ESP-0540	CaseStatus:Control | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=160; bmi=21.7; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	80-ESP-0553_043	ESP-0553	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=153; bmi=26.26; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	81-ESP-0566_044	ESP-0566	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=168; bmi=25.54; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	82-ESP-0579_045	ESP-0579	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=135; bmi=22.46; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	83-ESP-0592_046	ESP-0592	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=150; bmi=25.74; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	84-ESP-0605_047	ESP-0605	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=61; weight (lbs.)=96.6; bmi=18.25; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	85-ESP-0618_048	ESP-0618	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=61; weight (lbs.)=120; bmi=22.67; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	86-ESP-0631_049	ESP-0631	CaseStatus:Control | SEX:Male | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=72; weight (lbs.)=194; bmi=26.31; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	87-ESP-0644_050	ESP-0644	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=67.5; weight (lbs.)=160; bmi=24.69; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	91-ESP-0657_051	ESP-0657	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=137.8; bmi=26.03; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	92-ESP-0670_052	ESP-0670	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=175.8; bmi=31.14; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	93-ESP-0683_053	ESP-0683	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=125; bmi=19.58; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	94-ESP-0696_054	ESP-0696	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=194.6; bmi=30.48; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	95-ESP-0709_055	ESP-0709	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=63; weight (lbs.)=132; bmi=23.38; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	96-ESP-0722_056	ESP-0722	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=66; weight (lbs.)=205; bmi=33.08; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	97-ESP-0735_057	ESP-0735	CaseStatus:Control | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=71; weight (lbs.)=175; bmi=24.4; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	98-ESP-0748_058	ESP-0748	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=130; bmi=21.63; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	99-ESP-0761_059	ESP-0761	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=58.8; weight (lbs.)=115; bmi=23.38; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	100-ESP-0774_060	ESP-0774	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=138; bmi=22.27; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	107-ESP-0787_061	ESP-0787	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=158; bmi=27.12; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	108-ESP-0800_062	ESP-0800	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=138; bmi=22.27; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	109-ESP-0813_063	ESP-0813	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=70; weight (lbs.)=185; bmi=26.54; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	110-ESP-0826_064	ESP-0826	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=195; bmi=30.54; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	111-ESP-0839_065	ESP-0839	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=72; weight (lbs.)=179; bmi=24.27; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	112-ESP-0852_066	ESP-0852	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=217; bmi=32.99; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	113-ESP-0865_067	ESP-0865	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=65; weight (lbs.)=124; bmi=20.63; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	114-ESP-0878_068	ESP-0878	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=67; weight (lbs.)=192.2; bmi=30.1; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	115-ESP-0891_069	ESP-0891	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=63.5; weight (lbs.)=219; bmi=38.18; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	116-ESP-0904_070	ESP-0904	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=164; bmi=24.93; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	120-ESP-0917_071	ESP-0917	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=178; bmi=29.62; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	121-ESP-0930_072	ESP-0930	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=140; bmi=22.59; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	122-ESP-0943_073	ESP-0943	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=150; bmi=22.8; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	123-ESP-0956_074	ESP-0956	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=61; weight (lbs.)=146; bmi=27.58; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	124-ESP-0969_075	ESP-0969	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=62; weight (lbs.)=136; bmi=24.87; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	125-ESP-0982_076	ESP-0982	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=154; bmi=24.85; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	126-ESP-0995_077	ESP-0995	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=67.5; weight (lbs.)=140; bmi=21.6; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	127-ESP-1008_078	ESP-1008	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=60; weight (lbs.)=140; bmi=27.34; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	128-ESP-1021_079	ESP-1021	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=135; bmi=23.17; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	129-ESP-1034_080	ESP-1034	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=218; bmi=37.42; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	133-ESP-1047_081	ESP-1047	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=62; weight (lbs.)=115; bmi=21.03; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	134-ESP-1060_082	ESP-1060	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=64; weight (lbs.)=130; bmi=22.31; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	135-ESP-1073_083	ESP-1073	CaseStatus:Control | SEX:Male | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=180; bmi=29.95; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	136-ESP-1086_084	ESP-1086	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=68; weight (lbs.)=143; bmi=21.74; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	137-ESP-1099_085	ESP-1099	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=61; weight (lbs.)=120; bmi=22.67; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	138-ESP-1112_086	ESP-1112	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=64; weight (lbs.)=149; bmi=25.57; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	139-ESP-1125_087	ESP-1125	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=69; weight (lbs.)=234; bmi=34.55; MECFS=1; IBS=1
SUBJECT_SAMPLE_FACTORS           	140-ESP-1138_088	ESP-1138	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=70; weight (lbs.)=208; bmi=29.84; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	159-ESP-1151_089	ESP-1151	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=65.5; weight (lbs.)=150.2; bmi=24.61; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	160-ESP-1164_090	ESP-1164	CaseStatus:Case | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=65; weight (lbs.)=177; bmi=29.45; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	161-ESP-1177_091	ESP-1177	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Overweight.Obese; height (in.)=63; weight (lbs.)=162.6; bmi=28.8; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	162-ESP-1190_092	ESP-1190	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=63; weight (lbs.)=130; bmi=23.03; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	163-ESP-1203_093	ESP-1203	CaseStatus:Case | SEX:Male | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=71; weight (lbs.)=215; bmi=29.98; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	164-ESP-1216_094	ESP-1216	CaseStatus:Control | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=70; weight (lbs.)=172; bmi=24.68; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	165-ESP-1229_095	ESP-1229	CaseStatus:Control | SEX:Female | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=67; weight (lbs.)=139; bmi=21.77; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	170-ESP-1255_096	ESP-1255	CaseStatus:Case | SEX:Male | AGE_DICH:over50	BMI_DICH=Underweight.Normal; height (in.)=70; weight (lbs.)=168; bmi=24.1; MECFS=1; IBS=-
SUBJECT_SAMPLE_FACTORS           	171-ESP-1268_097	ESP-1268	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=66.6; weight (lbs.)=170; bmi=26.94; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	172-ESP-1281_098	ESP-1281	CaseStatus:Control | SEX:Male | AGE_DICH:20_50	BMI_DICH=Overweight.Obese; height (in.)=68; weight (lbs.)=206; bmi=31.32; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	173-ESP-1294_099	ESP-1294	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=66; weight (lbs.)=120; bmi=19.37; MECFS=-; IBS=-
SUBJECT_SAMPLE_FACTORS           	174-ESP-1307_100	ESP-1307	CaseStatus:Control | SEX:Male | AGE_DICH:20_50	BMI_DICH=Underweight.Normal; height (in.)=76; weight (lbs.)=185; bmi=22.52; MECFS=-; IBS=-
#COLLECTION
CO:COLLECTION_SUMMARY            	Subjects included 50 cases and 50 controls from the Chronic Fatigue Initiative
CO:COLLECTION_SUMMARY            	(CFI) Cohort (28) recruited at 4 sites across the US who met the 1994 CDC Fukuda
CO:COLLECTION_SUMMARY            	and/or Canadian consensus criteria for ME/CFS.
CO:SAMPLE_TYPE                   	Blood
CO:BLOOD_SERUM_OR_PLASMA         	Plasma
#TREATMENT
TR:TREATMENT_SUMMARY             	Subjects included 50 cases and 50 controls from the Chronic Fatigue Initiative
TR:TREATMENT_SUMMARY             	(CFI) Cohort (28) recruited at 4 sites across the US who met the 1994 CDC Fukuda
TR:TREATMENT_SUMMARY             	and/or Canadian consensus criteria for ME/CFS.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	1.Thaw each 20 μL plasma aliquot at room temperature (see Aliquoting TEDDY
SP:SAMPLEPREP_SUMMARY            	samples SOP). Once thawed (~10min) place liquid plasma samples on ice. 2. Add
SP:SAMPLEPREP_SUMMARY            	225 μL cold “MeOH with QC mix” (see SOP “QC mix for LC-MS lipid
SP:SAMPLEPREP_SUMMARY            	analysis”). Keep MeOH on ice during extraction 3. Vortex each sample for 10s,
SP:SAMPLEPREP_SUMMARY            	keeping the rest on ice during all the extraction. 4. Add 750 μL of cold MTBE
SP:SAMPLEPREP_SUMMARY            	with 22:1 CE, keep MTBE on ice during extraction 5. Vortex for 10s 6. Shake for
SP:SAMPLEPREP_SUMMARY            	6min at 4°C in the orbital mixer. 7. Add 188 μL room temperature LC/MS grade
SP:SAMPLEPREP_SUMMARY            	water. 8. Vortex for 20 s 9. Centrifuge for 2 min @ 14,000 rcf (12300 rpm) 10.
SP:SAMPLEPREP_SUMMARY            	Remove supernatant, splitting into two aliquots of 350 μL, keeping one at
SP:SAMPLEPREP_SUMMARY            	–20°C for backup 11. Dry samples to complete dryness in the speed vacuum
SP:SAMPLEPREP_SUMMARY            	concentration system
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SP_SOP_Extraction_of_plasma.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (150 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	0 min 25% (B), 1 min 40% (B), 1-2.5 min 42% (B), 2.5-4.5 50% (B), 4.5-10.5 65%
CH:FLOW_GRADIENT                 	(B), 10.5-12.5 75% (B), 12.5-14 85% (B), 14-14.5 95% (B), 14.5-15 25% (B), 15-16
CH:FLOW_GRADIENT                 	25% (B)
CH:FLOW_RATE                     	0.25 uL
CH:COLUMN_TEMPERATURE            	60 °C
CH:SOLVENT_A                     	0.1% acetic acid
CH:SOLVENT_B                     	90% ACN / 10% IPA
CH:SAMPLE_INJECTION              	5 µL
CH:ANALYTICAL_TIME               	16 min
CH:WASHING_BUFFER                	Ethyl Acetate
CH:WEAK_WASH_SOLVENT_NAME        	20% methanol, 10% isopropanol
CH:WEAK_WASH_VOLUME              	600 µL
CH:STRONG_WASH_SOLVENT_NAME      	50:50 Acetonitrile:Methanol
CH:STRONG_WASH_VOLUME            	600 µL
CH:SAMPLE_LOOP_SIZE              	17 µL
CH:RANDOMIZATION_ORDER           	Excel generated
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	ABI Sciex API 4000 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Concentration (nM)
MS_METABOLITE_DATA_START
Samples	ESP-0007	ESP-0020	ESP-0033	ESP-0046	ESP-0059	ESP-0072	ESP-0085	ESP-0098	ESP-0111	ESP-0124	ESP-0137	ESP-0150	ESP-0163	ESP-0176	ESP-0189	ESP-0202	ESP-0215	ESP-0228	ESP-0241	ESP-0254	ESP-0267	ESP-0280	ESP-0293	ESP-0306	ESP-0319	ESP-0332	ESP-0345	ESP-0358	ESP-0371	ESP-0384	ESP-0397	ESP-0410	ESP-0423	ESP-0436	ESP-0449	ESP-0462	ESP-0475	ESP-0488	ESP-0501	ESP-0514	ESP-0527	ESP-0540	ESP-0553	ESP-0566	ESP-0579	ESP-0592	ESP-0605	ESP-0618	ESP-0631	ESP-0644	ESP-0657	ESP-0670	ESP-0683	ESP-0696	ESP-0709	ESP-0722	ESP-0735	ESP-0748	ESP-0761	ESP-0774	ESP-0787	ESP-0800	ESP-0813	ESP-0826	ESP-0839	ESP-0852	ESP-0865	ESP-0878	ESP-0891	ESP-0904	ESP-0917	ESP-0930	ESP-0943	ESP-0956	ESP-0969	ESP-0982	ESP-0995	ESP-1008	ESP-1021	ESP-1034	ESP-1047	ESP-1060	ESP-1073	ESP-1086	ESP-1099	ESP-1112	ESP-1125	ESP-1138	ESP-1151	ESP-1164	ESP-1177	ESP-1190	ESP-1203	ESP-1216	ESP-1229	ESP-1255	ESP-1268	ESP-1281	ESP-1294	ESP-1307
Factors	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Male | AGE_DICH:over50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Male | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Male | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Case | SEX:Male | AGE_DICH:20_50	CaseStatus:Control | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:over50	CaseStatus:Case | SEX:Male | AGE_DICH:over50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Male | AGE_DICH:20_50	CaseStatus:Control | SEX:Female | AGE_DICH:20_50	CaseStatus:Control | SEX:Male | AGE_DICH:20_50
TXB2	0.41	0.23	0.69		0.28		0.42	0.17	0.07	1.24	0.15	0.13	0.1		0.09	0.12	0.26	0.18		0.12	0.08	0.63	0.43		0.07	0.06		0.28	0.3	0.12		0.58	0.33	0.26		0.05		0.15	0.23	0.18	0.26	2.45	0.41	0.55	0.13		0.13	0.31	0.08		0.34	0.34	0.25	0.25		1.16		0.18	0.09	0.22	1.21	0.35	0.27	0.14	0.26	0.13	0.29	0.11	0.09	0.08	0.4	0.38	0.86	1.27	0.45			0.13	0.62	1.32		0.4	0.58	0.07	0.48	0.08		0.42	0.24	0.33	0.23			0.08	0.52	0.05	0.24		0.78	0.37
6-keto-PGF1alpha																							0.1																																																																													
PGE1															0.05		0.06			0.11			0.05					0.07	0.16	0.11	0.07				0.08	0.06		0.09	0.1	0.07					0.05		0.08	0.15	0.07	0.11		0.1	0.09	0.14		0.1		0.06	0.08		0.11	0.07	0.07			0.09	0.06			0.07						0.08	0.09	0.12		0.07	0.08	0.05		0.09	0.05	0.1	0.14	0.08					0.08			0.14		0.29	0.1	0.08
PGE2																																																																																																				
PGD2		0.51		0.33	0.42		0.58	0.77	0.35	0.41		0.69				0.66		0.52					2.71	0.35		1.08		0.66	1.36		0.58	0.32		0.67						0.69		0.64	0.59	0.57	0.62						0.97					1.27	0.45		1.48		0.57	1.83						3.32	1.18	0.47		1.1	1.49		0.69					0.98	0.85	0.51	3.73			0.36	0.32		1.71	0.77				0.41	0.58			0.69		
15-deoxy PGJ2	0.35	0.3	0.47	0.18	0.33	0.21	0.26	0.24	0.25	0.28	0.28	0.19	0.23	0.38	0.19	0.25	0.27	0.3	0.16	0.31	0.32	0.25	0.47	0.28	0.22	0.21	0.25	0.2	0.42	0.38	0.23	0.3	0.29	0.17	0.23	0.25	0.17	0.22	0.23	0.19	0.26	0.4	0.14	0.21	0.18	0.17	0.17	0.1	0.21	0.12	0.27	0.23	0.19	0.26	0.1	0.27	0.22	0.2	0.16	0.24	0.31	0.27	0.15	0.23	0.18	0.24	0.24	0.57	0.28	0.22	0.28	0.26	0.22	0.25	0.27	0.16	0.18	0.14	0.23	0.31	0.22	0.27	0.54	0.19	0.26	0.26	0.2	0.26	0.26	0.26	0.46	0.25	0.24	0.69	0.24	0.23	0.24	0.2	0.22	0.27
15-Keto PGE2																																																																																																				
PGF2alpha	0.53	1.74	1.91	0.27	0.74	0.53	0.37	0.44	0.45	0.59	0.37	0.58	0.36	0.58	0.15	0.46	0.52	0.32	0.29	0.4	0.66	0.42	1.33	0.26		0.28	0.34	0.45	0.46	0.51	0.11	0.58	0.59	1.29	0.13	0.4	0.19	0.42	0.57	0.56	0.54	3.46	0.58	0.54	1.23	0.26	0.49	0.48	0.65	1.17	0.64	0.85	0.57	0.56	1.06	2.44		0.75	0.81	0.49	2.02	0.74	0.79	0.49	0.83	0.32	0.87	0.25	0.35	0.5	0.64	0.8	0.67	1.26	0.69	0.36	1.55	1.12	0.73	1.05	0.12	1.1	1.73	0.88	0.47	0.59	0.29	0.57	0.42	0.64	0.98	0.76	0.23	0.64	0.44	0.89	0.18	0.6	1.29	0.38
PGE3																																																																																																				
PGF3alpha																																																																																																				
9,12,13-TriHOME	5.42	17.13	11.07	11.11	10.56	12.43	7.91	4.82	6.44	9.54	5.79	6.97	4.91	13.27	8.04	4.16	4.38	6.37	5.82	9.18	7.98	6.72	23.28	16.49	7.51	5.28	7.13	7.74	10.48	12.55	9.15	11.57	4.4	6.2	4.69	9.2	6.29	6.14	11.16	3.17	4.34	6.26	3.95	2.66	6.15	3.36	7.62	6.18	8.51	10.09	5.6	9.87	4.4	3.29	7.69	6.03	5.63	6.06	8.44	6.66	4.82	12.9	6.22	14.51	6.18	5.69	2.89	22.72	7.33	7.9	5.2	8.53	7.21	7.14	6.3	7.16	5.25	9.14	6.84	15.34	3.39	4.69	25.63	5.44	4.86	11.4	4.34	3.65	26.49	16.32	22.71	7.95	6.71	35.84	3.21	6.16	5.64	18.59	14.97	5
Lipoxin A4																							1.75	0.56																																																											0.96								0.57							0.5		
Resolvin D1																																																																																																				
9,10-e-DiHO	12.08	23.73	12.85	13.47	15.57	9.68	12.69	8.67	9.26	10.63	9.33	10.91	10.99	13.45	8.01	8.5	10.82	8.74	45.51	9.38	9.4	5.8	6.14	12.06	9.86	9.15	8.9	14.5	10.12	11.2	8.22	9.14	7.05	8.62	10.68	28.94	15.47	13.13	11.67	7.64	11.87	11.69	6.81	5.51	9.04	7.21	10.02	12.33	9.96	12.48	6.59	8.13	6.92	8.72	14.13	14.05	13.54	8.1	11.83	8.01	9.96	10.76	11.04	13.45	9.44	9.65	6.79	11.02	9.14	8.19	11.78	16.69	14.34	11.7	15.34	15.65	8.5	17.25	8.16	13.09	4.7	10.19	7.55	7.91	8.26	13.94	7.31	8.71	13.12	12.96	13.8	8.32	13.99	17.78	8.33	13.51	13.23	11.01	13.17	11.04
12_13-DiHOME	0	0.02	0.01	0	0.02	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.01	0	0	0	0	0	0	0	0.01	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.01	0	0	0.01	0	0	0	0	0	0	0	0	0	0	0	0.02	0	0	0	0	0	0.01	0	0	0	0.01	0	0	0	0.01	0	0	0	0	0	0	0.01	0	0	0.02	0	0	0.01	0	0	0	0	0.01	0	0.01	0	0	0	0
9,10-DiHOME	4.03	90.39	18.89	17.09	7.89	6.24	12.64	4.57	7.21	3.51	2.46	7.41	15.98	8.35	6.99	2.67	3.19	4.16	7.2	13.61	15.78	2.67	9.37	9.54	5.98	3.23	3.8	10.06	6.99	14.76	12.1	4.55	3.64	2.87	8.98	17.7	9.23	4.63	5.21	3.11	4.24	18.43	3.86	1.8	11.84	2.91	27.53	9.35	5.77	13.65	4.66	4.64	6.47	3.62	22.77	4.14	3.83	4.63	5.05	5.19	5.01	10.25	11.97	7.6	29.34	6.42	3.56	21.64	7.83	3.21	13.91	24.81	5.68	5.11	29	18.64	3.37	11.04	3.28	5.03	2.28	11.57	22.19	4.04	3.6	10.44	3.73	2.43	11.66	14.5	8.35	8.18	2.84	27.63	3.24	41.37	4.9	7.06	15.85	2.87
15,16-DiHODE	3.34	47.74	24.95	8.11	15.7	14.34	4.5	6.67	11.99	2.4	2.05	6.29	5.25	16.35	13.89	2.73	2.89	29.02	10.53	16.2	2.8	5.51	10.44	11.01	8.12	3.59	6.45	6.42	3.32	11.81	28.13	4.83	4.49	3.08	13.6	16.73	12.61	4.88	6.11	5.06	3.24	11.37	5.64	2.37	9.05	14.03	8.02	11.33	13.03	52.53	9.44	10.74	11.16	12.57	46.06	3.58	3.76	6.37	4.84	2.79	10.89	7.16	32.11	14.66	6.47	7.08	5.44	23.59	21.1	5.53	58.83	34.17	8.08	8.73	3.25	14.62	3.87	23.04	7.02	7.16	64.05	2.09	17.4	5.54	7.74	85.11	3.9	2.91	22.98	30.81	15.36	21.96	3.96	29.6	4.49	3.73	6.78	4.59	29.84	13.13
12,13-DiHODE			0.78	0.31				0.82	1.34					0.85																	0.62																																0.5	0.3										0.31							1.26					0.56			4.76	2.19	2.21	0.68		3.74					1.03	
9,10-DiHODE	0.13	9.23	2.12	0.56	0.39	0.24	0.29	0.1	0.63			0.21	0.43	0.61	0.34		0.09	0.42	0.97	0.42	0.37		0.13	0.36	0.16	0.26		0.25	0.18	0.48	1.17	0.06	0.06		0.53	1.21	0.51	0.16	0.14	0.24		0.49	0.06		0.31	0.12	0.7	0.64	0.19	0.55	0.55	0.19	0.62	0.13	2.36			0.21	0.17		0.51	0.14	0.79	0.37	0.26		0.12	0.95	0.77	0.06	1.07	0.98	0.2	0.33	0.32	0.66	0.11	0.68	0.12	0.1	0.57		0.83	0.13	0.11	0.58	0.06		2.19	1.6	0.17	1.13	0.05	1.78	0.18	0.69	0.17	0.42	1.18	0.1
14,15-DiHETrE	0.41	0.45	0.98	0.67	0.5	0.39	0.45	0.43	0.55	0.79	0.37	0.35	0.74	0.34	0.38	0.29	0.55	0.28	0.43	0.34	0.48	0.27	0.51	0.54	0.3	0.57	0.36	0.64	0.36	0.31	0.4	0.43	0.58	0.57	0.36	0.64	0.69	0.61	0.65	0.49	0.27	0.39	0.72	0.47	0.29	0.51	0.45	0.52	0.4	0.36	0.36	0.39	0.19	0.52	0.44	0.31	0.41	0.46	0.45	1.07	0.61	0.54	0.66	0.55	1.67	0.61	0.57	0.42	0.46	0.42	0.43	0.23	0.59	1.89	0.42	0.54	0.43	0.45	0.33	0.41	0.56	0.27	0.46	0.66	0.3	0.42	0.66	0.32	0.42	0.36	0.4	0.42	0.48	0.34	0.2	0.27	0.69	0.38	0.35	0.47
11,12-DiHETrE	0.42	0.36	0.9	0.4	0.52	0.36	0.43	0.37	0.47	0.6	0.26	0.3	0.71	0.29	0.32	0.23	0.5	0.21	0.38	0.31	0.43	0.21	0.39	0.4	0.24	0.47	0.32	0.65	0.28	0.25	0.4	0.42	0.58	0.49	0.3	0.6	0.76	0.61	0.53	0.47	0.21	0.37	0.66	0.33	0.25	0.43	0.44	0.54	0.29	0.29	0.35	0.35	0.19	0.38	0.38	0.26	0.4	0.37	0.42	0.8	0.53	0.49	0.64	0.49	0.79	0.49	0.47	0.3	0.36	0.34	0.44	0.25	0.61	1.99	0.33	0.47	0.36	0.36	0.28	0.33	0.5	0.29	0.53	0.57	0.26	0.41	0.54	0.29	0.36	0.28	0.35	0.33	0.43	0.41	0.16	0.21	0.53	0.3	0.32	0.39
8,9-DiHETrE	0.56	0.28	0.71	0.57	0.25	0.33	0.42	0.27	0.19	0.58	0.32	0.2	0.31	0.13	0.32	0.13	0.18	0.2	0.27	0.26	0.29	0.09	0.58	0.51	0.29	0.33	0.46	0.22	0.42	0.29	0.26	0.34	0.4	0.4	0.22	0.39	0.3	0.37	0.33	0.27	0.26	0.43	0.22	0.28	0.2	0.29	0.24	0.22	0.19	0.15	0.3	0.44	0.09	0.22	0.32	0.2	0.36	0.19	0.54	0.3	0.46	0.29	0.46	0.53	0.5	0.26	0.22	0.22	0.52	0.25	0.22	0.24	0.27	0.85	0.37	0.44	0.28	0.16	0.23	0.32	0.71	0.21	0.35	0.48	0.26	0.25	0.31	0.2	0.3	0.25	0.49	0.21	0.23	0.39	0.2	0.13	0.49	0.43	0.27	0.26
5,6-DiHETrE	1.45	0.24	0.58	0.46	0.38	0.44	0.81	0.35	0.34	0.5	0.26	0.11	0.34	0.26	0.33	0.26	0.23	0.26	0.4	0.26	0.19	0.13	0.33	0.12	0.56	0.31	0.33	0.36	0.27	0.3	0.31	0.4	0.35	0.4	0.26	0.37	0.43	0.51	0.23	0.26	0.27	0.64	0.29	0.48	0.15	0.29	0.27	0.37	0.32	0.18	0.3	0.59	0.15	0.97	0.6	0.67	0.57	0.19	0.49	0.36	0.84	0.22	0.58	1.12	0.6	0.31	0.24	0.34	0.34	0.29	0.73	0.28	0.37	1.39	0.51	0.44	0.55	0.25	0.24	0.25	0.88	0.16	0.54	0.56	0.2	0.52	0.63	0.35	0.22	0.29	0.17	0.3	0.13	0.25	0.18	0.15	0.58	0.25	0.32	0.28
17,18-DiHETE	2.58	3.22	3.37	3.18	1.84	6.87	2.63	1.73	2.04	3.25	1.36	1.05	5.47	1.69	1.11	1.5	3.5	1.83	2.98	3	1.67	0.95	3.94	2.27	1.57	2.24	4.69	2.99	2.24	4.22	1.63	1.2	2.24	6.32	1.15	1.86	3.46	3.26	2.52	3.15	1.35	1.1	0.52	1.5	10.21	2.46	2.49	2.68	2.17	6.68	1.46	3.62	1.57	1.71	6.6	3.04	1.68	6.62	5.84	4.3	2.11	3.19	7.15	2.61	8.73	1.73	4.32	2.05	1.55	1.57	1.8	2.52	2.6	15.28	1.12	2.75	7.19	11.76	2.13	1.44	4.17	2.16	2.48	16.52	1.33	3.17	2.61	0.94	4.77	1.75	9.25	2.8	1.63	2.91	0.85	4.74	3.92	5.9	5.87	1.35
14,15-DiHETE	0.18	0.53	0.4	0.33	0.27	0.78	0.25	0.18	0.35	0.27	0.2	0.31	0.31	0.24		0.31	0.7	0.19	0.47	0.37	0.38	0.13	0.62	0.34	0.2	0.31	0.31	0.29	0.29	0.53	0.18	0.26	0.46	1.03	0.23	0.3	0.53	0.4	0.38	0.45	0.17	0.24	0.3	0.22	1.78	0.29	0.37	0.25	0.24	1.02	0.16	0.57	0.19	0.2	0.98	0.54	0.28	0.81	0.93	0.41	0.38	0.43	0.97	0.4	0.94	0.31	0.51	0.32	0.21	0.15	0.41	0.48	0.45	2.35	0.12	0.51	1.37	1.24	0.29	0.23	0.69	0.84	0.45	2.6	0.14	0.41	0.37	0.1	0.6	0.23	0.99	0.41	0.22	0.41	0.14	0.52	0.53	0.77	0.64	0.22
19,20-DiHDPE	1.41	1.08	1.77	2.01	1.17	0.92	0.81	1.18	1.08	2.55	0.72	0.89	0.75	0.87	0.45	0.64	1.83	0.98	0.71	1.13	0.88	0.44	1.08	0.77	0.85	1.85	2.89	1.66	0.57	1.16	0.87	0.79	1.64	1.54	0.74	1.63	1.14	1.44	1.29	1.67	0.66	0.77	0.97	1.01	1.85	1.06	1.44	1.6	0.83	2.27	1.05	1.48	1.08	1.63	2.31	1.33	1.01	3.67	1.64	0.7	1.05	1.79	2.63	1.16	3.05	0.99	1.58	0.96	1.12	0.61	0.81	0.73	1.4	6.29	1.03	2.29	2.32	3.76	0.91	0.56	0.87	0.98	0.95	2.68	0.54	1.98	1.53	0.56	1.99	0.54	1.92	1.46	0.57	0.56	0.46	1.6	1.69	1.37	2.2	0.83
8,15-DiHETE	0.44	1.21				1.11	0.97			0.71	0.85		0.59	1.52		0.14		0.39		0.81	1.46	0.21	6.06	3.75			0.3		3.26	1.45	0.21	0.84		0.35					0.29				0.15				0.87		0.54		0.27	0.15		0.58	1.37	0.22			0.16									6.1	0.19			0.49					0.19	0.77	0.83	1.38			6.38		0.36	1.07	0.38	0.2	2.4	1.26	3.61	0.35	0.17	5.43	0.12		0.31	5.8	0.73	
5S,15R-diHETE	0.13					0.2	0.14			0.13	0.24									0.07	0.33		0.34	0.28			0.06		0.41	0.06	0.07	0.13											0.05	0.06			0.1		0.1		0.09			0.14	0.15	0.1					0.09							0.51			0.07	0.06			0.09		0.06	0.11	0.13	0.15			0.41		0.06	0.22	0.14	0.1		0.08	0.1	0.06		0.57				0.6	0.06	
6-trans-LTB4	0.48	0.35	0.3	0.34	0.7	0.49	0.48	0.32	0.31	0.66	0.46	0.24	0.25	0.63	0.23	0.43	0.15	0.19	0.13	0.4	0.39	0.26	0.83	1.02	0.18	0.1	0.23	0.33	0.59	0.36	0.49	1.11	0.28	0.23	0.1	0.31	0.16	0.2	0.37	0.35	0.89	0.39	0.64	0.76	0.29	0.41	0.38	0.18	0.44	0.24	0.88	0.44	0.29	0.98	0.62	0.76	0.11	0.17	0.36	0.2	0.47	0.27	0.14	0.2	0.06	0.15	0.39	0.96	0.32	0.06	0.43	0.29	0.23	0.14	0.2	0.64	0.24	0.27	0.35	1.01	0.16	0.2	1.47	0.81	0.18	0.54	1.03	0.65	0.3	0.44	0.56	0.27	0.19	0.68	0.31	0.1	0.66	0.72	0.36	0.37
LTB4	0.08	0.29	0.15			0.08				0.28			0.08	0.28						0.2	0.39		1.36	1.29					0.24	0.54		0.29		0.05					0.15		0.07																		0.11		0.06							0.35										0.16		0.1			1.71								0.06			0.25				0.47		
LTB5																																																																																																				
13S-HODE	146.13	858.64	73.38	98.62	237.94	379.87	158.01	132.99	80.91	338.96	81.61	80.36	236.69	487.27	32.69	99.58	58.12	166.2	62.45	325.67	365.76	190.19	2128.25	1214.58	73.57	29.1	52.27	137.55	498.04	549.56	101.96	593.23	117.36	117.42	70.81	230.76	71.38	66.77	443.92	178.11	92.48	128.36	241.53	101.36	108.49	105.14	224.07	163.72	108.99	274.44	397.52	70.8	120.61	366.79	349.13	133.4	81.07	86.62	303.6	78.5	81.7	314.18	220.58	68.04	51.45	94	86.41	933.04	77.34	69.57	147.63	280.66	125.14	85.4	74.27	320.01	167.67	499.55	223.53	830.95	60.09	86.08	1865.75	204.25	80.23	520.76	166.95	250.8	1188.5	333.33	1001.89	98.47	74.6	2455.53	70.18	122.45	159.14	1561.22	444.46	91.23
9-HODE	99.47	561.68	39.45	54.99	104.87	268.65	91.48	93.32	61.04	256.8	59.79	56.65	166.09	336.88	19.09	69.95	40.12	117.02	35.92	190.7	258.73	137.12	1591.35	859.57	52.79	19.2	35.07	91.8	362.92	388.45	82.2	445.81	82.9	82.15	43.26	175.64	38.49	46.27	325.07	130.51	62.97	68.37	184.4	70.12	69.98	73.63	143.05	118.42	74.45	184.48	286.2	49.2	66.63	273.76	233.63	104.74	58.16	60.95	210.05	53.36	59.09	144.48	156.61	44.83	31.6	60.32	63.2	665.13	56.1	45.12	90.86	168.27	90.74	59.52	39.52	211.81	128.09	363.52	155.39	564.65	38.18	53.41	1361.45	149.7	53.19	298.44	118.55	176.05	831	215.78	711.55	61.61	50.98	1752.16	44.74	87.55	109.24	1102.54	308.64	64.63
13-HOTE	10.81	47.63	5.53	8.61	8.23	17.92	8.43	9.91	7.76	18.21	3.84	5.06	12.64	28.67	1.65	8.92	6.62	25.1	6.62	12.26	14.47	5.08	102.64	64.45	5	2.54	3.84	7.38	13.91	35.09	11.92	33.95	9.45	9.67	6.08	17.58	5.81	5.79	33.74	25.8	6.24	4	17.52	8.05	9.19	20.7	7.5	14.03	6.57	43.96	41.07	7.38	10.22	40.01	40.62	11.28	4.37	7.93	17.08	4.45	7.49	10.84	41.42	5.46	1.45	5.99	7.49	30.6	3.39	4.09	18.08	55.49	12.6	5.72	1.5	42.31	12.4	44.74	14.4	54.94	9.54	2.95	78.23	19.78	6.72	48.92	15.29	27.21	83.28	18.81	37.44	6.56	4.17	74.39	4.61	3.38	11.26	48.92	25.16	6.66
9-HOTE	5.28	10.09	3.78	4.87	5.27	6.53	4.16	6.36	5.57	6.54	2.02	2.76	7.11	7.93	1.05	5.21	4.3	10.55	4.36	2.6	4.35	1.84	10.53	10.12	3.3	1.47	2.17	5.31	2.21	5.48	7.12	12.86	5.64	4.64	3.65	11.54	3.44	3.4	11.26	16.38	3.44	2.14	8.81	4.41	5.28	12.6	3.03	9.43	3.11	29.62	21.78	4.07	5.49	23.15	16.09	7.34	3.04	5.04	8.12	2.78	5.16	7.31	28.74	3.12	0.73	3.45	4.59	3.53	2.28	2.64	10.05	16.7	7.91	4.04	0.83	26.68	8.03	20.7	7.55	23.75	4.16	1.67	14.29	12.86	3.57	24.73	8.56	15.06	15.55	4.88	3.89	2.9	2	9.78	2.43	2.12	5.98	6	9.44	4.07
20-HETE																																																																																																				
15-HETE	17.92	6.68	4.09	4.03	4.11	8.95	12.07	4.24	4.55	11.1	15.62	4.4	11.62	10.6	3.88	8.42	2.72	6.41	2.53	6.61	10.93	4.44	31.94	18.93	3.33	2.74	7.28	6.89	8.7	7.02	8.94	17.85	6.13	4.79	2.44	7.92	4.12	4.83	5.72	9.33	9.02	8.85	10.23	10.75	3.68	7.04	13.05	6.72	11.82	5.75	13.47	10.64	6.77	23.09	19.75	14.68	4.66	3.76	10.57	6.3	10.2	7.35	9.84	12.73	2.78	4.28	8.5	10.46	6.63	6.53	8.39	6.43	7.87	3.73	6.5	10.28	12.31	7.57	14.86	19.09	7.14	3.27	27.68	18.85	7.95	21.06	17.76	9.06	6.76	8.77	10.31	7.18	5.08	11.74	7.08	4.29	14.85	11.49	9.05	7.05
12S-HETE	80.36	64.53	134.65	136.68	84.04	35.82	50.52	53.27	64.27	108.37	59.08	54.48	54.12	63.12	44.62	38.08	28.98	20.56	32.04	53.12	33.58	46.62	111.39	119.11	29.4	45.23	39.9	73.62	32.28	26.81	48.91	131.62	98.49	89.88	41.97	62.74	100.82	79.99	75.14	50.82	131.98	104.84	102.35	86.34	74.02	121.05	32.05	42.16	64.19	40.69	94.44	64.01	38.79	90.52	62.33	90.29	28.89	33.82	71.29	61.96	154.1	51.64	24.99	36.84	33.05	70.19	106.21	62.3	79.97	21.44	65.98	20.92	76.26	92.11	89.97	163.49	24.96	44.43	39.8	109.47	19.63	49.87	104.16	209.57	29.74	47.83	85.52	57.39	25.63	43.87	78.2	71.55	42.38	59.18	74.63	24.33	112.02	38.36	32.96	55.92
8S-HETE	8.52	5.65	1.92	1.76	2.64	6.47	7.92	3.05	2.71	8.13	9.24	2.04	9.73	8.32	2.66	6.44	1.79	4.79	1.26	4.48	8.97	2.64	23.04	16.42	2.33	1.53	5.59	4.52	7.04	5.68	7.21	14.59	3.41	3.1	1.19	5.68	1.81	2.89	3.83	7.53	6.05	5.18	7.73	8.2	2.17	4.4	9.77	4.31	8.71	4.06	10.62	7.72	4.84	19.55	15.88	11.26	3.3	2.33	8.42	3.75	5.57	5.11	7.24	10	1.53	2.34	5.78	8.28	3.65	4.73	5.29	4.81	5.98	2	3.18	7.05	10.45	6.39	11.67	14.15	5.12	2.06	32.74	13.36	5.94	16.37	14.37	8.16	4.95	6.72	9.1	4.24	3.19	8.11	4.96	2.55	11.26	9.04	6.75	5.06
11-HETE	11.35	9.42	1.8	1.65	2.35	7.89	8.95	3.23	2.78	13.56	12.66	2.25	10.93	10.73	2.69	6.88	1.69	6.02	1.27	6.17	13.46	3.48	76.64	32.33	2.2	1.54	5.67	4.37	13.12	10.17	7.75	20.33	3.75	3.89	1.09	5.31	1.73	3.09	5.67	7.86	6.59	6.1	9.28	9.72	2.39	4.63	11.66	4.56	9.65	4.02	11.9	8.97	5.1	21.8	18.9	12.48	3.25	2.56	9.92	3.75	5.62	4.75	6.87	9.13	1.46	2.37	6.03	18.32	4.09	4.35	5.74	7.76	6.05	2.5	3.11	6.78	10.5	8.31	12.99	15.89	4.59	2.21	79.34	14.03	5.82	15.89	15.38	8.45	6.82	7.68	15.58	4.17	2.99	12.93	4.82	2.43	10.92	16.79	7.19	4.94
9-HETE	10.96	10.41	2.06	1.97	2.99	8.96	10.69	3.5	3.02	13.82	13	2.33	12.63	13.25	3.1	8.56	2.02	6.98	1.37	6.68	13.94	3.65	78.32	32.8	2.66	1.64	6.56	5.16	12.54	10.53	9.44	22.19	4.18	4.25	1.14	6.55	1.92	3.38	6.16	9.29	7.93	6.1	10.87	11.22	2.95	5.61	15.16	5.55	12.18	5.02	14.31	10.79	6.3	25.21	25.07	14.15	3.82	3.04	11.41	5.01	6.31	6.3	9.15	12.19	1.83	2.86	7.06	20.03	4.97	5.62	7.49	9.13	7.03	2.1	3.66	8.41	12.28	9.53	16.48	19.32	7.14	2.43	87.55	16.57	8.27	23.43	17.81	10.44	8.62	9.7	18.67	5.57	4.34	13.49	6.63	2.99	14.85	16.49	10.06	6.58
5-HETE	11.26	6.56	3.57	4.6	4.46	9.27	11.87	5.31	4.83	14.82	15.68	3.29	14.51	10.73	4.52	8.75	3.08	6.58	2.78	5.89	10.86	4.16	29.18	21.19	4.46	2.5	7.41	7.45	8.02	6.47	9	20.34	6.23	4.94	2.2	8.79	4.11	4.99	6.65	9.92	8.8	8.71	11.22	11.07	3.58	6.73	12.52	6.74	11.98	6.02	13.54	10.03	6.1	23.9	18.94	16.44	5.06	3.77	12.7	6.16	8.69	8.48	10.56	13.35	3.11	3.89	8.9	10.19	7.22	6.35	7.55	5.91	8.78	5.38	5.17	11.06	12.65	9.31	16.38	19.68	7.15	3.03	47.41	17.57	7.32	18.71	16.45	10.1	6.24	8.32	9.3	6.45	4.58	6.87	6.34	3.42	13.97	9.37	8.78	7.27
15-HEPE	1.35	1.79	0.23	0.37		2.94	2.02	0.33	0.44	0.84	0.97	0.55	1.06	0.74	0.14	0.68	0.59	0.5	0.36	0.9	0.68		3.29	1.94	0.15	0.07	1.3	0.98	1.17	1.54	0.72	2.81	0.76	2.1	0.09	0.74	0.43	0.49	0.58	2.63	1.25	0.84	0.83	0.82	5.48	1.12	1.97	0.95	1.28	6.63	1.75	3.45	1.18	3.31	12.99	6.48	0.74	1.21	5.71	0.82	1.36	1.39	3.41	2.29	0.52	0.62	2	0.55	0.41	0.55	0.95	1.92	1.29	1.34	0.17	2.37	10.35	6.96	1.78	2.92	2.21	0.5	2.75	8.13	1.17	5.02	2.45	0.75	3.4	1.36	4.43	0.85	0.47	0.8	0.71	1.66	1.74	4.44	3.83	0.47
12S-HEPE	8.28	23.45	10.98	16.84	15.28	10.08	8.54	4.83	7.68	13.27	5.47	10.75	5.7	6.41	3.08	3.27	8.65	1.92	10.61	10.34	2.59	2.82	23.78	19.07	2.96	5.55	7.86	11.68	7	9.66	3.42	19.21	18.06	48.6	5.38	5.78	14.72	11.06	12.85	12.71	9.72	7.72	8.03	7.68	134.85	22.72	4.05	6.43	6.77	53.75	10.24	14.47	6.21	11.17	32.23	13.9	3.34	10.61	36	7.54	16.37	10.43	7.21	4.3	5.45	14.03	22.14	4.17	5.75	1.77	6.92	3.88	10	22.18	3.48	22.2	16.81	46.67	3.67	11.8	5.27	7.47	7.52	75.75	3.84	8.68	10.08	3.55	9.67	5.76	37.3	7.34	3.4	6.86	6.95	8.81	10.75	16.34	9.65	3.76
9-HEPE	1.17	1.09	0.31	0.48	0.64	2.24	1.5	0.36	0.55	1.23	0.83	0.51	1.06	0.68	0.27	0.75	0.72	0.6	0.48	0.62	0.56	0.22	0.88	1.07	0.32	0.22	1.14	0.87	0.5	0.78	0.75	2.36	0.78	1.84	0.21	0.78	0.42	0.54	0.73	2.62	1.07	0.86	0.71	0.81	4.29	0.95	1.39	0.86	1.26	5.8	1.52	2.93	1.21	3	10.9	6.07	0.79	1.07	4.88	0.73	1.12	1.25	3.08	2.07	0.49	0.52	1.68	0.25	0.56	0.56	0.82	1.4	1.24	1.31	0.32	2.06	9.38	6.71	1.43	2.52	1.97	0.61	1.69	6.72	1.14	3.87	2.07	0.82	1.54	0.95	1.18	0.71	0.45	0.39	0.67	1.43	1.57	1.54	3.01	0.56
5S-HEPE	0.94	0.59	0.3	0.5	0.56	1.72	1.12	0.33	0.37	0.59	0.58	0.44	0.78	0.39	0.21	0.53	0.59	0.44	0.62	0.49	0.37	0.16	0.3	0.47	0.34	0.28	0.89	0.74	0.29	0.43	0.56	1.39	0.74	1.5	0.23	0.66	0.46	0.53	0.54	1.63	0.68	0.74	0.48	0.68	3.04	0.72	0.96	0.8	0.78	4.07	0.98	2.01	0.72	2.03	6.31	3.9	0.57	0.88	3.19	0.54	0.9	0.96	2.13	1.46	0.68	0.48	1.38	0.14	0.53	0.42	0.66	0.73	0.95	1.47	0.22	1.53	6.97	4.08	0.91	1.42	1.33	0.38	0.59	4.45	0.67	2.32	1.43	0.56	1.02	0.7	0.66	0.64	0.35	0.2	0.49	1.13	1.1	0.88	1.8	0.45
17-HDoHE	13.93	11.67	2.67	7.24	10.42	12.47	10.23	5.29	7.15	9.88	6.66	5.2	7.77	15.42	2.11	9.39	8.04	6.44	4.4	8.69	12.85	4.36	18.97	12.29	3.35	3.63	9.94	11.56	1.06	7.63	6.73	19.73	9.34	13.44	3.65	13.14	3.84	5.68	7.02	35.52	7.37	8.63	14.86	21.22	18.33	9.31	16.23	13.99	14.01	35.4	24.03	15.03	21.71	49.84	40.34	30.77	7.69	14.77	24.5	3.84	10.04	12.29	18.41	7.84	2.28	9.6	17.98	6.28	2.31	4.36	12.22	15.74	15.04	3.98	5.14	27.15	50.1	58.37	18.56	22.13	9.5	7.08	44.76	25.42	11.24	40.49	23.93	15.1	17.21	5.33	18.38	10.2	4.19	5.8	7.38	9.89	29.4	16.75	23.35	5.87
14-HDoHE	26.52	32.19	46.84	159.45	79.77	9.12	11.01	30.42	38.6	53.12	9.33	52.16	4.89	26.04	12.33	9.52	39.67	3.95	29.16	16.86	7.02	11.33	23.54	24.34	7.62	30.74	13.36	29.5	6.71	10.3	4.24	40.43	81.71	144.69	38.17	18.65	55.15	41.37	54.48	47.14	12.88	17.57	31.22	33.61	91.69	73.8	5.27	19.6	14.41	42.56	34.53	14.93	23.27	30.34	18.7	10.02	6.34	63.4	33.7	16.31	56.4	14.93	4.94	2.89	13.34	85.66	90.13	19.31	15.33	1.75	19.2	8.37	56.1	35.98	34.31	141.53	11.17	46.84	7.71	18.71	4.38	24.52	15.23	101.33	7.02	10.18	32.96	15.72	13.4	5.47	46.94	18.09	10.77	5.64	34.23	12.48	43.28	19.87	9.38	11.08
4-HDoHE	7.64	5.02	1.36	2.96	6.3	8.3	4.86	3.8	4.33	6.71	4.11	3.07	4.81	9.32	1.05	5.65	5.13	3.75	2.17	5.58	5.85	2.34	10.59	9.3	2.61	1.89	5.56	6.55	2.41	3.76	3.24	10.08	6.04	8.04	2.41	8.04	3.2	3.24	5.09	21.42	3.98	4.71	7.83	9.34	11.19	5.97	10.33	8.35	6.56	18.81	11.34	7.06	11.23	23.13	22.33	16.64	5.05	9.03	17.3	2.29	4.31	6.55	11.9	4.32	1.32	4.54	11	2.57	1.79	2.11	5.35	7.27	8.47	3.7	2.76	16.09	26.61	23.41	11.51	12.57	4.15	3.26	17.49	12.54	5.8	16.38	9.86	7.25	8.1	3.36	11.3	5.38	2.09	1.84	3.84	5.85	14.68	10.48	10.62	3.72
13-KODE	29.38	448	5.03	14.22	7.64	181.58	28.41	12.54	5.69	193.14	21.52	11.51	63.84	313.28	1.35	12.3	4.99	80.85	4.04	127.59	112.79	90.89	1243.51	838.5	5.46	3.25	4.79	8.73	318.63	373.94	12.98	198.52	11.75	40.12	4.89	16.42	3.97	14.41	195.8	18.02	8.9	8.93	50.71	11.16	8.85	7.31	91.93	16.82	29.97	18.64	62.8	4.34	9.32	19.81	108.75	11.08	5.12	10.75	73.81	5.28	5.59	15.83	13.07	4.96	2.92	6.27	5.64	356.66	18.64	4.66	11.53	76.1	13.63	4.72	4.99	34.83	17.76	141.68	53.06	354.31	6.6	5.18	468.11	17.22	16.88	63.53	7.35	11.04	925.25	235.67	848.89	27.84	24.68	2388.73	16.84	13.24	13.72	1367.76	267.05	10.19
9-KODE	56.69	952.96	8.98	24.28	19.1	303.98	52.74	23.32	12.89	301.33	41.16	23.68	97.3	556.3	4.1	26.28	10.49	127.33	8.87	284.17	223.35	169.01	2802.36	1485.48	10.43	6	11.22	16.11	596.48	687.58	27.76	474.68	20.25	74.15	8.78	39	7.69	31.44	430.15	40.53	19.34	20.23	110.84	24.46	18.57	17.88	160.31	35.47	58.39	39.26	129.78	15.22	19.62	44.89	229.38	33.17	14.36	22.88	142.55	9.64	11.5	29.28	26.63	13.36	6.82	13.72	11.88	810.17	33.7	10.95	25.64	164.97	24.59	11.67	12.18	79.09	37.61	316.25	93.39	688.29	13.96	11.01	880.16	33.11	28.72	123.7	17.55	28.46	1749.11	446.18	1657.16	54.63	41.21	4776.18	34.41	26.55	30.75	2185.91	487.3	21.44
15-KETE																																																																																																				
5-KETE	1.4	1.55	0.28	0.39	0.26	1.21	0.84	0.42	0.42	3.77	2.12	0.26	2.03	1.75	0.28	1.03	0.26	1.07	0.17	1	1.74	0.49	6.18	3.9	0.26	0.2	0.64	0.5	1.16	1.07	1.13	3.42	0.53	0.99	0.15	0.71	0.19	0.7	1.77	0.95	0.79	0.51	1.18	1.1	0.36	0.48	1.83	0.62	1.09	0.42	0.94	0.69	0.68	1.02	1.92	1.37	0.34	0.51	1.96	0.29	0.6	0.73	0.68	0.99	0.17	0.29	0.57	0.84	0.83	0.39	0.6	0.83	0.68	0.23	0.36	1.26	1.17	1.97	0.96	1.8	0.69	0.2	6.18	1.33	1.08	1.27	0.53	0.48	1.21	1.24	2.45	0.71	0.56	0.76	0.68	0.4	1.26	1.07	1.17	0.73
9,10-EpO	3.89	5.94	3.98	7.1	5.27	4	4.18	4.47	6.76	4.25	4.14	3.63	4.48	5.22	2.95	2.36	5.67	2.99	6.99	4.65	4.2	2.98	10.76	7.52	3.28	3.82	2.96	4.67	4.79	7.27	4.86	6.83	2.99	3.11	4.14	30.5	3.01	3.54	3.45	2.9	4.95	5.8	2.88	2.83	2.96	2.57	3.83	3.25	3.61	4.45	3.08	2.31	2.39	2.79	3.64	4.81	3.56	3.07	4.53	3.59	3.68	3.46	3.51	3.98	2.34	3.5	3.6	7.29	2.62	2.64	3.88	3.94	4.29	4.63	4.3	7.89	3.4	6.51	3.87	4.67	2.18	2.75	10.79	3.12	4	4.35	2.25	2.01	10.12	6.77	9.41	3.83	6.33	20.77	3.46	5.99	4.01	18.39	8.33	3.4
12(13)Ep-9-KODE	7.31	59.13	0.53	7.16	5.02	62.38	8	3.51	2.39	43.48	7.1	3.9	17.7	87.28		3.49	1.94	17.48	0.66	24.83	12.53	32.76	212.21	92.85	0.84		1.84	2.59	29.95	41.43	2.37	92.02	4.91	15.02	1.42	7.38	1.1	8.6	95.76	6.19	2.97	2.03	14.74	2.26	3	0.27	28.86	7.93	16.18	6.2	46.8	1.05	2.28	4.99	49.18	5.04	3.16	5.96	20	0.34	1.1	4.88	4.65	2.89	1.71	2.64	1.6	41.91	9.86		2.04	24.66	6.45	3.83	2.37	15.35	7.02	45.45	16.13	240.87	2.22	1.33	145.86	5.5	4.17	28.75	1.85	4.38	372.54	100.54	355.41	9.16	18.78	366.82	4.83	5.37	4.1	116.76	182.51	2.83
12(13)-EpOME	11.92	70.7	13.81	2.24	55.83	17.21	15.85	6.6	10.76	7.56	4.29	5.75	7.51	32.65	3.99	5.4	2.67	6.64	8.26	37.73	17.58	10.27	38.52	18.75	7.33	1.43	4.91	25.02	7.44	26.4	12.93	15.86	5.02	3.39	5.56	20.54	6.67	3.55	8.41	7.41	6.17	6.33	6.34	4.1	17.89	5.08	30.16	7.86	7.08	23.07	11.05	6.22	40.33	6.96	15.15	5.42	3.39	11.51	18.33	2.93	3.58	47.79	9.18	7.2	7.04	3.93	5.26	22.39	7.17	9.75	16.92	24.47	4.07	3.26	10.4	13.02	6.11	10.65	19.53	38.5	4.63	11.36	21.22	6.19	6.07	51.91	3.14	4.4	61.58	30.07	29.66	16.54	3.97	60.99	6.33	22.24	6.18	26.66	30.4	7.06
9(10)-EpOME	6.16	28.3	3.46	1.98	4.34	16.59	9.11	3.18	3.1	7.27		2.76	4.7	30.51	1.81	5.71	1.75	6.26	2.19	9.89	9.05	8.08	38.4	18.62	3.02	1.2	2.51	4	6.65	12.08	5.71	14.24	3.02	3.1	2.16	8.48	2.01	2.66	7.08	7.04	4.03	4.37	5.35	3.88	4.07	3.01	15.23	7.11	6.31	7.24	10.62	3.36	5.85	7.86	14.37	5.43	2.41	4.67	5.72	2.34	2.74	4.54	6.77	3.22	3.02	2.79	2.9	18.19	5.14	2.29	10.86	15.72	3.06	2.16	5.67	9.82	7.56	8.42	13.8	40.16	2.61	2.37	22.22	4.73	4.61	17.82	3.3	3.67	31.72	26.86	27.8	6.66	3.3	51.86	4.97	12.67	6.5	27.38	31.52	5.98
15,16-EpODE	3.71	115.2	12.12	1.75	28.33	13.16	1.71	4.12	10.7	46.01	0.3	2.31	9.66	34.5	1.66	0.63	1.32	32.11	3.11	35.53	19.2	2.77	233.46	173.04	5.1	0.33	1.33	4.28	24.62	52.5	6.17	27.27	3.76	16.23	5.07	10.11	6.12	1.91	35.07	2.73	0.78	3.1	13.32	0.83	3.72	6.28	8.61	3.43	1.68	42.65	1.22	3	6.74	2.75	17.05	1.32	0.8	2.84	21.73	0.77	2.75	2.37	36.34	5.92	3.03	1.15	2.67	44.49	1.57	1.44	2.29	18.34	2.38	2.71	1.84	11.13	1.95	63.3	4.73	3.52	5.57	0.6	142.96	3.4	3.26	53.45	1.17	0.84		4.23		6.23	1.21		1.04	2.09	1.22			1.36
Alpha-9(10)-EpODE	1.3	37.89	0.46	0.52	0.43	10.75	1.46	0.53	0.4	17.58	0.6	0.44	3.81	23.49		0.89	0.33	5.82	4.94	13.36	6.91	2.41	74.53	52.83	0.61	0.27		0.42	14.24	18.11	0.85	10.2	0.86	6.13	0.42	2.31	0.5	1.25	12.28	3.03	0.54	0.4	4.64	0.74	0.62	1.06	5.38	1.48	1.51	1.57	2.4	0.65	0.93	1.45	5.97	1.09	0.34	1.13	7.36	0.33	0.48	0.87	2.53	0.38	0.3	0.53	0.64	17.75	0.9	0.29	1.7	6.29	0.77	0.77		2.51	1.88	19.69	3.11	20.55	0.33		48.47	1.67	1.61	2.69	0.59	0.73	20.44	11.83	20.14	1.18	0.86	55.11	1.27	0.55	1.08	32.73	13.13	1.1
alpha-12(13)-EpODE	1.1	2.67	1.31	0.18	0.58	0.99	0.39	0.37	1.19	0.19	0.16	0.22	0.11	4.14	0.23	0.27	0.14	1.17	0.85	0.7	0.2	0.21	4.94	0.78	0.43	0.05	0.18	0.6	0.32	0.88	1.06	0.56	0.28	0.3	0.6	1.62	0.43	0.22	0.36	1.32	0.15	0.31	0.31	0.25	0.35	0.69	0.68	0.45	0.68	1.06	0.61	0.71	0.84	0.48	2.08	0.46	0.07	0.9	0.24	0.14	0.17	0.26	1.97	0.68	0.29	0.08	0.26	1	0.42	0.12	0.85	3.85	0.21	0.24	0.28	1.2	0.52	0.42	1.11	2.55	0.49	0.08	0.59	0.48	0.72	1.63	0.27	0.25	8.01	3.1	2.03	1.36	0.22	2.4	0.29	0.38	0.37	1.66	2.28	0.59
14,15-EpETrE																																																																																																				
11,12-EpETrE	0.43	0.2	0.06	0.07	0.12	0.63	0.48	0.06	0.14	0.29	0.56	0.12	0.2	0.81	0.18	0.32	0.09	0.27	0.08	0.27	0.1	0.2	0.15	0.14	0.08	0.1	0.35	0.15	0.12	0.09	0.48	0.59	0.24	0.2	0.11	0.26	0.18	0.2	0.11	0.55	0.17	0.33	0.16	0.31	0.14	0.19	0.94	0.22	0.81	0.11	0.32	0.58	0.29	0.36	0.88	0.51	0.16	0.16	0.2	0.12	0.21	0.14	0.37	0.65	0.19		0.16	0.12	0.47	0.2	0.36	0.39	0.17	0.11	0.24	0.19	0.57	0.1	1.26	0.75	0.24	0.09	0.28	0.36	0.58	0.69	0.24	0.12	0.26	0.61	0.16	0.36	0.26	0.18	0.35	0.19	0.59	0.07	0.45	0.54
8(9)-EpETrE																																																																																																				
17(18)-EpETE		1.11																		0.42			2.37	1.18					0.38											0.5							0.44								0.57																						0.45	0.44	0.32				1.05	0.52	0.36									0.39					0.56	
14(15)-EpETE																																																																																																				
11(12)-EpETE																																																																													0.580821735																							
19(20)-EpDPE																																																																																																				
16(17)-EpDPE																																																																																																				
10-Nitrooleate																															0.742722764		0.161724287	0.059778734																																																																		
9-Nitrooleate																																																																																																				
10-Nitrolinoleate																																																																																																				
PHAU																																																																																																				
d4 6-keto PGF1a																																																																																																				
d4-TXB2																																																																																																				
d4-PGF2a																																																																																																				
d4-PGD2																																																																																																				
CUDA																																																																																																				
d4-LTB4																																																																																																				
10_11-DHHep																																																																																																				
d11-14,15-DiHETrE																																																																																																				
d6-20-HETE																																																																																																				
d4-9(S)-HODE																																																																																																				
d8-12(S)-HETE																																																																																																				
d8-5(S)-HETE																																																																																																				
d4-12(13)-EpOME																																																																																																				
d17-10-Nitrooleate																																																																																																				
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Ret.Time	class	InChI Key	PubChem	full name	MRM	[M] neutral acc mass	[M-H]- resp [M+H]+ acc mass	formula
TXB2	3.97	thromboid	XNRNNGPBEPRNAR-JQBLCGNGSA-N	5283137	Thromboxane B2	369.3 / 169.1	370.236	369.2287234	C20H34O6
6-keto-PGF1alpha	3.19	prostanoid	KFGOFTHODYBSGM-ZUNNJUQCSA-N	5280888	6-Ketoprostaglandin F1 alpha	369.3 / 163.1	370.236	369.2287234	C20H34O6
PGE1	4.7	prostanoid	GMVPRGQOIOIIMI-DWKJAMRDSA-N	5280723	Prostaglandin E1	353.3 / 317.2	354.241	353.2337234	C20H34O5
PGE2	4.54	prostanoid	XEYBRNLFEZDVAW-ARSRFYASSA-N	5280360	Prostaglandin E2	351.3 / 271.2	352.225	351.2177234	C20H32O5
PGD2	4.83	prostanoid	BHMBVRSPMRCCGG-OUTUXVNYSA-N	448457	Prostaglandin D2	351.3 / 271.2	352.225	351.2177234	C20H32O5
15-deoxy PGJ2	9.85	prostanoid	VHRUMKCAEVRUBK-GODQJPCRSA-N	5311211	15-Deoxy-delta-12,14-Prostaglandin J2	315.2 / 271.2	316.204	315.1967234	C20H28O3
15-Keto PGE2	4.87	prostanoid	YRTJDWROBKPZNV-KMXMBPPJSA-N	5280719	15-Keto-prostaglandin E2	349.2 / 331.3	350.209	349.2017234	C20H30O5
PGF2alpha	4.42	prostanoid	PXGPLTODNUVGFL-YNNPMVKQSA-N	5280363	Prostaglandin F2a	353.3 / 193.2	354.241	353.2337234	C20H34O5
PGE3	3.84	prostanoid	CBOMORHDRONZRN-QLOYDKTKSA-N	5280937	Prostaglandin E3	349.3 / 269.2	350.209	349.2017234	C20H30O5
PGF3alpha	3.7	fatty acid triol	SAKGBZWJAIABSY-SAMSIYEGSA-N	5280940	9,11,15-trihydroxy-5,13,1Z-prostatrienoic acid	351.3 / 307.4	352.225	351.2177234	C20H32O5
9,12,13-TriHOME	4.36	fatty acid triol	MDIUMSLCYIJBQC-MVFSOIOZSA-N	9858729	9,12,13-trihydroxyoctadec-10-enoic acid	329.2 / 211.2	330.241	329.2337234	C18H34O5
Lipoxin A4	5.48	fatty acid triol	IXAQOQZEOGMIQS-SSQFXEBMSA-N	5280914	5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acid	351.3 / 217.2	352.225	351.2177234	C20H32O5
Resolvin D1	5.37	fatty acid triol	OIWTWACQMDFHJG-CCFUIAGSSA-N	44251266	Resolvin D1	375.3 / 121.1	376.225	375.2177234	C22H32O5
9,10-e-DiHO	9.39	fatty acid diol	VACHUYIREGFMSP-SJORKVTESA-N	441460	9S,10R-dihydroxy-stearic acid	315.2 / 297.2	316.261	315.2537234	C18H36O4
12_13-DiHOME	8.03	fatty acid diol	CQSLTKIXAJTQGA-FLIBITNWSA-N	10236635	12,13-dihydroxyoctadec-9-enoic acid	313.3 / 183.2	314.246	313.2387234	C18H34O4
9,10-DiHOME	8.44	fatty acid diol	XEBKSQSGNGRGDW-YFHOEESVSA-N	9966640	9,10-dihydroxyoctadec-12-enoic acid	313.3 / 201.2	314.246	313.2387234	C18H34O4
15,16-DiHODE	6.96	fatty acid diol	LKLLJYJTYPVCID-OHPMOLHNSA-N	16061068	15,16-dihydroxyoctadeca-9,12-dienoic acid	311.2 / 235.2	312.23	311.2227234	C18H32O4
12,13-DiHODE	7.04	fatty acid diol	RGRKFKRAFZJQMS-OOHFSOINSA-N	16061067	12,13-dihydroxyoctadeca-9,15-dienoic acid	311.2 / 183.2	312.23	311.2227234	C18H32O4
9,10-DiHODE	7.08	fatty acid diol	QRHSEDZBZMZPOA-ZJSQCTGTSA-N	16061066	9,10-dihydroxyoctadeca-12,15-dienoic acid	311.2 / 201.2	312.23	311.2227234	C18H32O4
14,15-DiHETrE	8.68	fatty acid diol	SYAWGTIVOGUZMM-ILYOTBPNSA-N	5283147	14,15-dihydroxyeicosa-5,8,11-trienoic acid	337.3 / 207.2	338.246	337.2387234	C20H34O4
11,12-DiHETrE	9.24	fatty acid diol	LRPPQRCHCPFBPE-KROJNAHFSA-N	5283146	11,12-Dihydroxyicosa-5,8,14-trienoic acid	337.3 / 167.1	338.246	337.2387234	C20H34O4
8,9-DiHETrE	9.78	fatty acid diol	DCJBINATHQHPKO-TYAUOURKSA-N	5283144	8,9-dihydroxyeicosa-5,11,14-trienoic acid	337.3 / 127.1	338.246	337.2387234	C20H34O4
5,6-DiHETrE	10.56	fatty acid diol	GFNYAPAJUNPMGH-QNEBEIHSSA-N	5283142	5,6-dihydroxyeicosa-8,11,14-trienoic acid	337.3 / 145.1	338.246	337.2387234	C20H34O4
17,18-DiHETE	7.34	fatty acid diol	XYDVGNAQQFWZEF-JPURVOHMSA-N	16061120	17,18-dihydroxyeicosa-5,8,11,14-tetraenoic acid	335.3 / 247.2	336.23	335.2227234	C20H32O4
14,15-DiHETE	7.67	fatty acid diol	BLWCDFIELVFRJY-QXBXTPPVSA-N	16061119	14,15-dihydroxyeicosa-5,8,11,17-tetraenoic acid	335.3 / 207.2	336.23	335.2227234	C20H32O4
19,20-DiHDPE	8.66	fatty acid diol	FFXKPSNQCPNORO-MBYQGORISA-N	16061148	19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid	361.3 / 273.2	362.246	361.2387234	C22H34O4
8,15-DiHETE	7.06	fatty acid diol	NNPWRKSGORGTIM-RCDCWWQHSA-N	53480358	8,15-dihydroxyeicosa-5,9,11,13-tetraenoic acid	335.3 / 235.2	336.23	335.2227234	C20H32O4
5S,15R-diHETE	7.4	fatty acid diol	UXGXCGPWGSUMNI-BVHTXILBSA-N	5283158	5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid	335.3 / 173.1	336.23	335.2227234	C20H32O4
6-trans-LTB4	7.53	fatty acid diol	VNYSSYRCGWBHLG-UKNWISKWSA-N	5283128	6-trans-Leukotriene B4	335.3 / 195.2	336.23	335.2227234	C20H32O4
LTB4	7.78	fatty acid diol	VNYSSYRCGWBHLG-AMOLWHMGSA-N	5280492	Leukotriene B4	335.3 / 195.2	370.236	369.2287234	C20H34O6
LTB5	6.52	fatty acid diol	BISQPGCQOHLHQK-HDNPQISLSA-N	5283125	Leukotriene B5	333.3 / 195.2	334.214	333.2067234	C20H30O4
13S-HODE	10.89	fatty acid alcohol	HNICUWMFWZBIFP-IRQZEAMPSA-N	6443013	13-Hydroxyoctadecadienoic acid	295.2 / 195.2	296.235	295.2277234	C18H32O3
9-HODE	11.08	fatty acid alcohol	NPDSHTNEKLQQIJ-ZJHFMPGASA-N	5282944	9-Hydroxylinoleic acid	295.2 / 171.1	296.235	295.2277234	C18H32O3
13-HOTE	9.62	fatty acid alcohol	KLLGGGQNRTVBSU-JDTPQGGVSA-N	10469728	13-hydroxyoctadeca-9,11,15-trienoic acid	293.2 / 195.2	294.219	293.2117234	C18H30O3
9-HOTE	9.5	fatty acid alcohol	YUPHIKSLGBATJK-OBKPXJAFSA-N	53480359	9-hydroxyoctadeca-10,12,15-trienoic acid	293.2 / 171.1	294.219	293.2117234	C18H30O3
20-HETE	10.05	fatty acid alcohol	NNDIXBJHNLFJJP-DTLRTWKJSA-N	123803	20-Hydroxyarachidonic acid	319.2 / 275.2	320.235	319.2277234	C20H32O3
15-HETE	11.27	fatty acid alcohol	JSFATNQSLKRBCI-VAEKSGALSA-N	5280724	15-hydroxyeicosa-5,8,11,13-tetraenoic acid	319.2 / 219.2	320.235	319.2277234	C20H32O3
12S-HETE	11.96	fatty acid alcohol	ZNHVWPKMFKADKW-LQWMCKPYSA-N	5283155	12-Hydroxy-5,8,10,14-eicosatetraenoic acid	319.2 / 179.1	320.235	319.2277234	C20H32O3
8S-HETE	12.1	fatty acid alcohol	NLUNAYAEIJYXRB-VYOQERLCSA-N	5283154	8-hydroxyeicosa-5,9,11,14-tetraenoic acid	319.2 / 155.1	320.235	319.2277234	C20H32O3
11-HETE	11.71	fatty acid alcohol	GCZRCCHPLVMMJE-RSPKXIRXSA-N	5312981	11-Hydroxy-arachidonic acid	319.2 / 167.1	320.235	319.2277234	C20H32O3
9-HETE	12.31	fatty acid alcohol	KATOYYZUTNAWSA-OIZRIKEUSA-N	14123398	9-hydroxyeicosa-5,7,11,14-tetraenoic acid	319.2 / 167.1	320.235	319.2277234	C20H32O3
5-HETE	12.68	fatty acid alcohol	KGIJOOYOSFUGPC-JGKLHWIESA-N	5280733	5-Hydroxy-6,8,11,14-eicosatetraenoic acid	319.2 / 115.1	320.235	319.2277234	C20H32O3
15-HEPE	10.04	fatty acid alcohol	WLKCSMCLEKGITB-XWJJKCKWSA-N	16061131	15-hydroxyeicosa-5,8,11,13,17-pentaenoic acid	317.2 / 219.2	318.219	317.2117234	C20H30O3
12S-HEPE	10.4	fatty acid alcohol	MCRJLMXYVFDXLS-UOLHMMFFSA-N	5283191	12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid	317.2 / 179.1	318.219	317.2117234	C20H30O3
9-HEPE	10.61	fatty acid alcohol	OXOPDAZWPWFJEW-IMCWFPBLSA-N	16061129	9-Hydroxy-5,7,11,14,17-icosapentaenoic acid	317.2 / 167.2	318.219	317.2117234	C20H30O3
5S-HEPE	11	fatty acid alcohol	FTAGQROYQYQRHF-GHWNLOBHSA-N	5283193	5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid	317.2 / 115.1	318.219	317.2117234	C20H30O3
17-HDoHE	11.39	fatty acid alcohol	SWTYBBUBEPPYCX-VIIQGJSXSA-N	6439179	17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid	343.3 / 281.2	344.235	343.2277234	C22H32O3
14-HDoHE	11.7	fatty acid alcohol	ZNEBXONKCYFJAF-BGKMTWLOSA-N	11566378	14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid	343.3 / 281.2	344.235	343.2277234	C22H32O3
4-HDoHE	13.02	fatty acid alcohol	IFRKCNPQVIJFAQ-PQVBWYSWSA-N	14429109	4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid	343.3 / 281.2	344.235	343.2277234	C22H32O3
13-KODE	11.33	fatty acid ketone	JHXAZBBVQSRKJR-BSZOFBHHSA-N	6446027	13-ketooctadeca-9,11-dienoic acid	293.2 / 179.1	294.219	293.2117234	C18H30O3
9-KODE	11.78	fatty acid ketone	LUZSWWYKKLTDHU-ZJHFMPGASA-N	9839084	9-ketooctadeca-10,12-dienoic acid	293.2 / 185.2	294.219	293.2117234	C18H30O3
15-KETE	11.63	fatty acid ketone	YGJTUEISKATQSM-USWFWKISSA-N	5280701	15-ketoeicosa-5,8,11,13-tetraenoic acid	317.2 / 273.2	318.219	317.2117234	C20H30O3
5-KETE	13.39	fatty acid ketone	MEASLHGILYBXFO-XTDASVJISA-N	5283159	5-ketoeicosa-6,8,11,14-tetraenoic acid	317.2 / 203.2	318.219	317.2117234	C20H30O3
9,10-EpO	14.44	fatty acid epoxide	IMYZYCNQZDBZBQ-UHFFFAOYSA-N	15868	9,10-Epoxystearic acid	297.3 / 279.2	298.251	297.2437234	C18H34O3
12(13)Ep-9-KODE	9.5	fatty acid epoxide	RCMABBHQYMBYKV-BUHFOSPRSA-N	5283007	trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid	309.2 / 291.2	310.214	309.2067234	C18H30O4
12(13)-EpOME	12.81	fatty acid epoxide	CCPPLLJZDQAOHD-FLIBITNWSA-N	5356421	12,13-epoxy-9-octadecenoic acid	295.2 / 195.2	296.235	295.2277234	C18H32O3
9(10)-EpOME	13.04	fatty acid epoxide	FBUKMFOXMZRGRB-YFHOEESVSA-N	6246154	9(10)-epoxy-12Z-octadecenoic acid	295.2 / 171.1	314.246	313.2387234	C18H34O4
15,16-EpODE	11.15	fatty acid epoxide	HKSDVVJONLXYKL-OHPMOLHNSA-N	16061062	15(16)-epoxy-9,12-octadecadienoic acid	293.2 / 275.2	294.219	293.2117234	C18H30O3
Alpha-9(10)-EpODE	11.35	fatty acid epoxide	JTEGNNHWOIJBJZ-ZJSQCTGTSA-N	16061060	9(10)-epoxy-12,15-octadecadienoic acid	293.2 / 275.2	294.219	293.2117234	C18H30O3
alpha-12(13)-EpODE	11.55	fatty acid epoxide	BKKGUKSHPCTUGE-OOHFSOINSA-N	16061061	12(13)-epoxy-9,15-octadecadienoic acid	293.2 / 183.2	294.219	293.2117234	C18H30O3
14,15-EpETrE	12.91	fatty acid epoxide	JBSCUHKPLGKXKH-ILYOTBPNSA-N	5283205	11-Hydroxy-14,15-epoxyeicosatrienoic acid	319.2 / 219.2	320.235	319.2277234	C20H32O3
11,12-EpETrE	13.39	fatty acid epoxide	DXOYQVHGIODESM-KROJNAHFSA-N	5283204	11,12-Epoxyeicosa-5,8,14-trienoic acid	319.2 / 167.1	320.235	319.2277234	C20H32O3
8(9)-EpETrE	13.59	fatty acid epoxide	DBWQSCSXHFNTMO-TYAUOURKSA-N	5283203	8,9-Epoxyeicosa-5,11,14-trienoic acid	319.2 / 155.1	320.235	319.2277234	C20H32O3
17(18)-EpETE	11.25	fatty acid epoxide	GPQVVJQEBXAKBJ-JPURVOHMSA-N	16061089	17,18-Epoxy-5,8,11,14-eicosatetraenoic acid	317.2 / 259.2	318.219	317.2117234	C20H30O3
14(15)-EpETE	11.72	fatty acid epoxide	RGZIXZYRGZWDMI-QXBXTPPVSA-N	16061088	14(15)-epoxy-5,8,11,17-eicosatetraenoic acid	317.2 / 247.2	318.219	317.2117234	C20H30O3
11(12)-EpETE	11.87	fatty acid epoxide	QHOKDYBJJBDJGY-BVILWSOJSA-N	16061087	11(12)-epoxy-5,8,14,17- eicosatetraenoic acid	317.2 / 167.3	318.219	317.2117234	C20H30O3
19(20)-EpDPE	12.65	fatty acid epoxide	OSXOPUBJJDUAOJ-MBYQGORISA-N	11631565	18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid	343.3 / 281.2	344.235	343.2277234	C22H32O3
16(17)-EpDPE	13.04	fatty acid epoxide	BCTXZWCPBLWCRV-ZYADFMMDSA-N	14392758	16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid	343.5 / 273.5	344.235	343.2277234	C22H32O3
10-Nitrooleate	14.84	nitro-fatty acid	WRADPCFZZWXOTI-BMRADRMJSA-N	24836820	10-nitrooleic acid	326.2 / 279.5	327.241	326.2337234	C18H33NO4
9-Nitrooleate	14.79	nitro-fatty acid	CQOAKBVRRVHWKV-SAPNQHFASA-N	11645581	9-nitrooleic acid	326.2 / 308.2	327.241	326.2337234	C18H33NO4
10-Nitrolinoleate	13.85	nitro-fatty acid	LELVHAQTWXTCLY-XYWKCAQWSA-N	5282259	10-nitrolinoleic acid	324.3 / 277.2	325.225	324.2177234	C18H31NO4
PHAU	2.81	injection QC	VUPFPVOJLPTJQS-UHFFFAOYSA-N	4137915	1-Phenylurea-3-hexanoic acid	249.2 / 130.1	250.132	249.125	C13H18N2O3
d4 6-keto PGF1a	3.18	prostanoid	KFGOFTHODYBSGM-GKZGVFJGSA-N	5283044	6-keto Prostaglandin F1α-d4	373.3 / 167.1	374.261	373.253	C20H30D4O6
d4-TXB2	3.99	thromboid	XNRNNGPBEPRNAR-LCGOHBJFSA-N	16061116	Thromboxane B2-d4	373.3 / 173.1	374.261	373.253	C20H30D4O6
d4-PGF2a	4.41	prostanoid	PXGPLTODNUVGFL-MKIWGZNBSA-N	5283029	Prostaglandin F2α-d4	357.3 / 197.2	358.266	357.258	C20H30D4O5
d4-PGD2	4.82	prostanoid	BHMBVRSPMRCCGG-DCNIGHKFSA-N	5283030	Prostaglandin D2-d4	355.3 / 275.2	356.25	355.243	C20H28D4O5
CUDA	7.73	injection QC	HPTJABJPZMULFH-UHFFFAOYSA-N	22978774	12-(cyclohexylcarbamoylamino)dodecanoic acid	339.4 / 214.2	340.273	339.266	C19H36N2O3
d4-LTB4	7.76	fatty acid diol	VNYSSYRCGWBHLG-PHKHWAPOSA-N	16061113	Leukotriene B4-d4	339.3 / 163.1	374.261	373.253	C20H30D4O6
10_11-DHHep	8.11	fatty acid diol	FHKUHNLINYBEIC-UHFFFAOYSA-N	14454608	10,11-Dihydroxyheptadecanoic acid	301.2 / 283.2	302.246	301.238	C17H34O4
d11-14,15-DiHETrE	8.59	fatty acid diol			14,15-dihydroxyeicosa-5,8,11-trienoic acid-d11	348.4 / 207.2	349.315	348.307	C20H23D11O4
d6-20-HETE	10.01	fatty acid alcohol	NNDIXBJHNLFJJP-KGSJLPHXSA-N	16061123	20-HETE-d6	325.3 / 281.2	326.273	325.266	C20H26D6O3
d4-9(S)-HODE	11.02	fatty acid alcohol	NPDSHTNEKLQQIJ-VKLCZNAWSA-N	16061038	9(S)-HODE-d4	299.2 / 172.1	300.26	299.253	C18H28D4O3
d8-12(S)-HETE	11.86	fatty acid alcohol	ZNHVWPKMFKADKW-OPXGWVKSSA-N	6914100	12(S)-HETE-d8	327.2 / 184.2	328.285	327.278	C20H24D8O3
d8-5(S)-HETE	12.61	fatty acid alcohol	KGIJOOYOSFUGPC-IWMWOOIASA-N	5283153	5(S)-HETE-d8	327.2 / 116.1	328.285	327.278	C20H24D8O3
d4-12(13)-EpOME	12.74	fatty acid epoxide	CCPPLLJZDQAOHD-FIMKFYBQSA-N		(±)12(13)-EpOME-d4	299.2 / 198.1	300.26	299.253	C18H28D4O3
d17-10-Nitrooleate	14.68	nitro-fatty acid	CQOAKBVRRVHWKV-KSBOAZTASA-N		9-Nitrooleate-d17	343.2 / 307.5	344.348	343.34	C18H16D17NO4
METABOLITES_END
#END