#METABOLOMICS WORKBENCH wsa224_20200825_024025_mwtab.txt DATATRACK_ID:2152 STUDY_ID:ST001517 ANALYSIS_ID:AN002519 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	November 4, 2020, 9:52 am
#PROJECT
PR:PROJECT_TITLE                 	Identification of distinct metabolic perturbations and associated
PR:PROJECT_TITLE                 	immunomodulatory events during intra-erythrocytic development stage of pediatric
PR:PROJECT_TITLE                 	Plasmodium falciparum malaria
PR:PROJECT_SUMMARY               	The goal of this study was to interrogate biochemical profiles manifested in
PR:PROJECT_SUMMARY               	human serum samples originating from a cohort of West African children,
PR:PROJECT_SUMMARY               	collected before and during P. falciparum malarial infection, with the aim of
PR:PROJECT_SUMMARY               	characterizing metabolic perturbation associated with severity of malarial
PR:PROJECT_SUMMARY               	infection.
PR:INSTITUTE                     	New York University Abu Dhabi
PR:DEPARTMENT                    	Biology Department
PR:LABORATORY                    	Idaghdour Laboratory
PR:LAST_NAME                     	Abdrabou
PR:FIRST_NAME                    	Wael
PR:ADDRESS                       	Saadiyat Island, P.O Box 129188, Abu Dhabi
PR:EMAIL                         	wsa224@nyu.edu
PR:PHONE                         	0562729855
#STUDY
ST:STUDY_TITLE                   	Identification of distinct metabolic perturbations and associated
ST:STUDY_TITLE                   	immunomodulatory events during intra-erythrocytic development stage of pediatric
ST:STUDY_TITLE                   	Plasmodium falciparum malaria (part-III)
ST:STUDY_SUMMARY                 	The goal of this study was to interrogate biochemical profiles manifested in
ST:STUDY_SUMMARY                 	human serum samples originating from a cohort of West African children,
ST:STUDY_SUMMARY                 	collected before and during P. falciparum malarial infection, with the aim of
ST:STUDY_SUMMARY                 	characterizing metabolic migration associated with severity of malarial
ST:STUDY_SUMMARY                 	infection.
ST:INSTITUTE                     	New York University Abu Dhabi
ST:LAST_NAME                     	Abdrabou
ST:FIRST_NAME                    	Wael
ST:ADDRESS                       	Saadiyat Island, P.O Box 129188, Abu Dhabi
ST:EMAIL                         	wsa224@nyu.edu
ST:PHONE                         	0562729855
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	53
ST:NUM_MALES                     	21
ST:NUM_FEMALES                   	32
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	5-12 years
SU:GENDER                        	Male and female
SU:HUMAN_ETHNICITY               	Fulani (Burkina Faso, West Africa)
SU:HUMAN_INCLUSION_CRITERIA      	residency in the Sapone district area in Burkina Faso, age of 5 to 12 years, no
SU:HUMAN_INCLUSION_CRITERIA      	P. falciparum infection at the time of enrollment (as evidenced by malaria rapid
SU:HUMAN_INCLUSION_CRITERIA      	diagnostic test and confirmed later with microscopy and qPCR), no fever
SU:HUMAN_INCLUSION_CRITERIA      	(axillary temperature ≥37.5°C) or history of fever within the preceding 48
SU:HUMAN_INCLUSION_CRITERIA      	hours
SU:HUMAN_EXCLUSION_CRITERIA      	history of immunosuppressive diseases or chronic diseases, signs of concomitant
SU:HUMAN_EXCLUSION_CRITERIA      	febrile illness or active infection, use of anti-malarial treatment within the
SU:HUMAN_EXCLUSION_CRITERIA      	preceding two weeks, use of immunosuppressant or other immune-modifying drugs
SU:HUMAN_EXCLUSION_CRITERIA      	within the preceding six months and receiving blood transfusion within the
SU:HUMAN_EXCLUSION_CRITERIA      	preceding three months
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	PAM226	PAM226_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=85; GENDER=Male; Log2 Parasitemia=8.8008999; White Blood Cell Count=7.87; RBC=3.22; Hemoglobin=9.2; Monocytes (%)=20.3
SUBJECT_SAMPLE_FACTORS           	PAM226	PAM226_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=85; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6; RBC=4.91; Hemoglobin=13.7; Monocytes (%)=8.3
SUBJECT_SAMPLE_FACTORS           	PAM229	PAM229_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=12.42547819; White Blood Cell Count=8.89; RBC=4.34; Hemoglobin=11.1; Monocytes (%)=12.9
SUBJECT_SAMPLE_FACTORS           	PAM229	PAM229_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.88; RBC=4.77; Hemoglobin=11.7; Monocytes (%)=9.6
SUBJECT_SAMPLE_FACTORS           	PAM231	PAM231_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Female; Log2 Parasitemia=8.011227255; White Blood Cell Count=4.19; RBC=4.67; Hemoglobin=13.1; Monocytes (%)=16.9
SUBJECT_SAMPLE_FACTORS           	PAM231	PAM231_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.57; RBC=5.06; Hemoglobin=14.1; Monocytes (%)=13.3
SUBJECT_SAMPLE_FACTORS           	PAM232	PAM232_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Male; Log2 Parasitemia=6.672425342; White Blood Cell Count=6.68; RBC=4.53; Hemoglobin=12.4; Monocytes (%)=14.1
SUBJECT_SAMPLE_FACTORS           	PAM232	PAM232_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=8.03; RBC=5.12; Hemoglobin=14.3; Monocytes (%)=10
SUBJECT_SAMPLE_FACTORS           	PAM233	PAM233_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=84; GENDER=Female; Log2 Parasitemia=9.761551232; White Blood Cell Count=8.78; RBC=4.05; Hemoglobin=10.4; Monocytes (%)=8.8
SUBJECT_SAMPLE_FACTORS           	PAM233	PAM233_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=84; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.18; RBC=4.63; Hemoglobin=12.2; Monocytes (%)=8.8
SUBJECT_SAMPLE_FACTORS           	PAM234	PAM234_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=81; GENDER=Female; Log2 Parasitemia=8.784634846; White Blood Cell Count=7.77; RBC=4.66; Hemoglobin=11.4; Monocytes (%)=5.7
SUBJECT_SAMPLE_FACTORS           	PAM234	PAM234_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=81; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.68; RBC=4.65; Hemoglobin=11.7; Monocytes (%)=6.8
SUBJECT_SAMPLE_FACTORS           	PAM253	PAM253_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=142; GENDER=Male; Log2 Parasitemia=7.383704292; White Blood Cell Count=6.25; RBC=4.6; Hemoglobin=8.6; Monocytes (%)=5.6
SUBJECT_SAMPLE_FACTORS           	PAM253	PAM253_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=142; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.52; RBC=4.82; Hemoglobin=9.2; Monocytes (%)=7.5
SUBJECT_SAMPLE_FACTORS           	PAM256	PAM256_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=6.321928095; White Blood Cell Count=5.72; RBC=4.04; Hemoglobin=10; Monocytes (%)=10.3
SUBJECT_SAMPLE_FACTORS           	PAM256	PAM256_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.04; RBC=4.87; Hemoglobin=12.5; Monocytes (%)=6.3
SUBJECT_SAMPLE_FACTORS           	PAM257	PAM257_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Female; Log2 Parasitemia=6.584962501; White Blood Cell Count=10.75; RBC=3.45; Hemoglobin=8.3; Monocytes (%)=8.6
SUBJECT_SAMPLE_FACTORS           	PAM257	PAM257_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.05; RBC=3.95; Hemoglobin=9.8; Monocytes (%)=6.1
SUBJECT_SAMPLE_FACTORS           	PAM260	PAM260_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=78; GENDER=Female; Log2 Parasitemia=13.61090949; White Blood Cell Count=8.13; RBC=4.04; Hemoglobin=9.1; Monocytes (%)=13.8
SUBJECT_SAMPLE_FACTORS           	PAM260	PAM260_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=78; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.82; RBC=4.11; Hemoglobin=9.6; Monocytes (%)=6.3
SUBJECT_SAMPLE_FACTORS           	PAM264	PAM264_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=7.129283017; White Blood Cell Count=7.72; RBC=4.52; Hemoglobin=12.6; Monocytes (%)=6.9
SUBJECT_SAMPLE_FACTORS           	PAM264	PAM264_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.45; RBC=4.2; Hemoglobin=11.8; Monocytes (%)=8.3
SUBJECT_SAMPLE_FACTORS           	PAM265	PAM265_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=99; GENDER=Male; Log2 Parasitemia=7.960001932; White Blood Cell Count=6.58; RBC=4.88; Hemoglobin=12.1; Monocytes (%)=11.4
SUBJECT_SAMPLE_FACTORS           	PAM265	PAM265_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=99; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.22; RBC=4.89; Hemoglobin=12; Monocytes (%)=10.8
SUBJECT_SAMPLE_FACTORS           	PAM266	PAM266_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=93; GENDER=Female; Log2 Parasitemia=8.77478706; White Blood Cell Count=11.9; RBC=3.89; Hemoglobin=10; Monocytes (%)=13.7
SUBJECT_SAMPLE_FACTORS           	PAM266	PAM266_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=93; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.17; RBC=4.6; Hemoglobin=12; Monocytes (%)=7.2
SUBJECT_SAMPLE_FACTORS           	PAM267	PAM267_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Female; Log2 Parasitemia=6.321928095; White Blood Cell Count=8.63; RBC=4.5; Hemoglobin=10.9; Monocytes (%)=8.1
SUBJECT_SAMPLE_FACTORS           	PAM267	PAM267_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.67; RBC=5.29; Hemoglobin=13.01; Monocytes (%)=9.3
SUBJECT_SAMPLE_FACTORS           	PAM268	PAM268_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=115; GENDER=Female; Log2 Parasitemia=7.845490051; White Blood Cell Count=8.24; RBC=4.62; Hemoglobin=11.7; Monocytes (%)=8.1
SUBJECT_SAMPLE_FACTORS           	PAM268	PAM268_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=115; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.75; RBC=4.61; Hemoglobin=12.2; Monocytes (%)=6.6
SUBJECT_SAMPLE_FACTORS           	PAM273	PAM273_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=104; GENDER=Female; Log2 Parasitemia=9.46760555; White Blood Cell Count=8.96; RBC=4.15; Hemoglobin=11.4; Monocytes (%)=10.2
SUBJECT_SAMPLE_FACTORS           	PAM273	PAM273_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=104; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.17; RBC=4.35; Hemoglobin=11.9; Monocytes (%)=7.3
SUBJECT_SAMPLE_FACTORS           	PAM274	PAM274_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=8.721099189; White Blood Cell Count=7.04; RBC=4.66; Hemoglobin=9.4; Monocytes (%)=11.1
SUBJECT_SAMPLE_FACTORS           	PAM274	PAM274_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.77; RBC=4.88; Hemoglobin=10.6; Monocytes (%)=12.5
SUBJECT_SAMPLE_FACTORS           	PAM275	PAM275_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Male; Log2 Parasitemia=9.627533884; White Blood Cell Count=6.8; RBC=3.99; Hemoglobin=10.7; Monocytes (%)=10.1
SUBJECT_SAMPLE_FACTORS           	PAM275	PAM275_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.39; RBC=3.83; Hemoglobin=10.3; Monocytes (%)=8.8
SUBJECT_SAMPLE_FACTORS           	PAM276	PAM276_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=71; GENDER=Male; Log2 Parasitemia=10.40620501; White Blood Cell Count=7.28; RBC=4.27; Hemoglobin=10.6; Monocytes (%)=6.3
SUBJECT_SAMPLE_FACTORS           	PAM276	PAM276_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=71; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.53; RBC=4.63; Hemoglobin=11.6; Monocytes (%)=6.2
SUBJECT_SAMPLE_FACTORS           	PAM277	PAM277_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=11.23242093; White Blood Cell Count=5.37; RBC=4.42; Hemoglobin=10.8; Monocytes (%)=13.4
SUBJECT_SAMPLE_FACTORS           	PAM277	PAM277_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.31; RBC=4.79; Hemoglobin=12.1; Monocytes (%)=6.4
SUBJECT_SAMPLE_FACTORS           	PAM278	PAM278_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=125; GENDER=Male; Log2 Parasitemia=8.607330314; White Blood Cell Count=5.6; RBC=4.38; Hemoglobin=11.7; Monocytes (%)=10
SUBJECT_SAMPLE_FACTORS           	PAM278	PAM278_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=125; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=5.75; RBC=4.46; Hemoglobin=12.1; Monocytes (%)=11.3
SUBJECT_SAMPLE_FACTORS           	PAM280	PAM280_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=70; GENDER=Female; Log2 Parasitemia=8.945443836; White Blood Cell Count=7.95; RBC=4.28; Hemoglobin=12; Monocytes (%)=12.3
SUBJECT_SAMPLE_FACTORS           	PAM280	PAM280_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=70; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.11; RBC=4.47; Hemoglobin=12.6; Monocytes (%)=9.1
SUBJECT_SAMPLE_FACTORS           	PAM284	PAM284_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=6.285402219; White Blood Cell Count=9.19; RBC=3.82; Hemoglobin=10.2; Monocytes (%)=16
SUBJECT_SAMPLE_FACTORS           	PAM284	PAM284_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=9.31; RBC=4.9; Hemoglobin=12.2; Monocytes (%)=9.8
SUBJECT_SAMPLE_FACTORS           	PAM293	PAM293_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=7.741466986; White Blood Cell Count=4.62; RBC=3.86; Hemoglobin=10.7; Monocytes (%)=13.7
SUBJECT_SAMPLE_FACTORS           	PAM293	PAM293_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.45; RBC=4.13; Hemoglobin=11.4; Monocytes (%)=9.4
SUBJECT_SAMPLE_FACTORS           	PAM296	PAM296_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=118; GENDER=Male; Log2 Parasitemia=8.781359714; White Blood Cell Count=6.23; RBC=3.77; Hemoglobin=10.2; Monocytes (%)=16.2
SUBJECT_SAMPLE_FACTORS           	PAM296	PAM296_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=118; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=9.15; RBC=4.02; Hemoglobin=10.6; Monocytes (%)=7.8
SUBJECT_SAMPLE_FACTORS           	PAM302	PAM302_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=97; GENDER=Male; Log2 Parasitemia=8.62935662; White Blood Cell Count=5.45; RBC=3.82; Hemoglobin=9.5; Monocytes (%)=14.3
SUBJECT_SAMPLE_FACTORS           	PAM302	PAM302_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=97; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.91; RBC=4.19; Hemoglobin=10.7; Monocytes (%)=6.4
SUBJECT_SAMPLE_FACTORS           	PAM309	PAM309_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=8.64385619; White Blood Cell Count=4.85; RBC=3.64; Hemoglobin=10.4; Monocytes (%)=7.8
SUBJECT_SAMPLE_FACTORS           	PAM309	PAM309_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.52; RBC=4.39; Hemoglobin=10.7; Monocytes (%)=8.1
SUBJECT_SAMPLE_FACTORS           	PAM310	PAM310_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=92; GENDER=Female; Log2 Parasitemia=7.531381461; White Blood Cell Count=8.35; RBC=4.37; Hemoglobin=10.8; Monocytes (%)=8.5
SUBJECT_SAMPLE_FACTORS           	PAM310	PAM310_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=92; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.04; RBC=3.68; Hemoglobin=10.2; Monocytes (%)=8.3
SUBJECT_SAMPLE_FACTORS           	PAM332	PAM332_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=114; GENDER=Male; Log2 Parasitemia=9.084808388; White Blood Cell Count=9.38; RBC=4.3; Hemoglobin=7.5; Monocytes (%)=15.5
SUBJECT_SAMPLE_FACTORS           	PAM332	PAM332_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=114; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=10.92; RBC=4.79; Hemoglobin=8.2; Monocytes (%)=8.4
SUBJECT_SAMPLE_FACTORS           	PAM334	PAM334_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=77; GENDER=Female; Log2 Parasitemia=8.64385619; White Blood Cell Count=5.73; RBC=4.29; Hemoglobin=11.2; Monocytes (%)=4.5
SUBJECT_SAMPLE_FACTORS           	PAM334	PAM334_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=77; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.09; RBC=3.78; Hemoglobin=10.2; Monocytes (%)=5.5
SUBJECT_SAMPLE_FACTORS           	PAM335	PAM335_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=149; GENDER=Male; Log2 Parasitemia=8.651051691; White Blood Cell Count=5.55; RBC=4.02; Hemoglobin=11; Monocytes (%)=11.9
SUBJECT_SAMPLE_FACTORS           	PAM335	PAM335_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=149; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.51; RBC=3.93; Hemoglobin=10.8; Monocytes (%)=8.3
SUBJECT_SAMPLE_FACTORS           	PAM336	PAM336_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=72; GENDER=Female; Log2 Parasitemia=12.659327; White Blood Cell Count=9.92; RBC=4.27; Hemoglobin=9.4; Monocytes (%)=13.7
SUBJECT_SAMPLE_FACTORS           	PAM336	PAM336_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=72; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.48; RBC=4.74; Hemoglobin=10.7; Monocytes (%)=5.9
SUBJECT_SAMPLE_FACTORS           	PAM337	PAM337_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=113; GENDER=Female; Log2 Parasitemia=9.016808288; White Blood Cell Count=8.59; RBC=4.82; Hemoglobin=11.3; Monocytes (%)=11.4
SUBJECT_SAMPLE_FACTORS           	PAM337	PAM337_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=113; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.23; RBC=4.74; Hemoglobin=11.2; Monocytes (%)=8.9
SUBJECT_SAMPLE_FACTORS           	PAM338	PAM338_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=112; GENDER=Female; Log2 Parasitemia=7; White Blood Cell Count=5.95; RBC=4.45; Hemoglobin=10.7; Monocytes (%)=17.5
SUBJECT_SAMPLE_FACTORS           	PAM338	PAM338_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=112; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.12; RBC=4.6; Hemoglobin=11.1; Monocytes (%)=10
SUBJECT_SAMPLE_FACTORS           	PAM339	PAM339_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=66; GENDER=Female; Log2 Parasitemia=14.99881077; White Blood Cell Count=6.89; RBC=4.39; Hemoglobin=10.9; Monocytes (%)=5.7
SUBJECT_SAMPLE_FACTORS           	PAM339	PAM339_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=66; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.46; RBC=4.35; Hemoglobin=10.9; Monocytes (%)=5.6
SUBJECT_SAMPLE_FACTORS           	PAM340	PAM340_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=13.05409552; White Blood Cell Count=5.88; RBC=3.93; Hemoglobin=9.6; Monocytes (%)=18
SUBJECT_SAMPLE_FACTORS           	PAM340	PAM340_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.39; RBC=4; Hemoglobin=9.8; Monocytes (%)=9.1
SUBJECT_SAMPLE_FACTORS           	PAM342	PAM342_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=10.18982456; White Blood Cell Count=8.51; RBC=4.59; Hemoglobin=10.9; Monocytes (%)=15
SUBJECT_SAMPLE_FACTORS           	PAM342	PAM342_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.55; RBC=5.02; Hemoglobin=11.8; Monocytes (%)=18.2
SUBJECT_SAMPLE_FACTORS           	PAM343	PAM343_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=12.66111003; White Blood Cell Count=7.67; RBC=4.36; Hemoglobin=9.2; Monocytes (%)=13.7
SUBJECT_SAMPLE_FACTORS           	PAM343	PAM343_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=8.28; RBC=4.72; Hemoglobin=10; Monocytes (%)=9.5
SUBJECT_SAMPLE_FACTORS           	PAM344	PAM344_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=90; GENDER=Male; Log2 Parasitemia=13.18472041; White Blood Cell Count=7.41; RBC=3.6; Hemoglobin=10.1; Monocytes (%)=17.3
SUBJECT_SAMPLE_FACTORS           	PAM344	PAM344_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=90; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.65; RBC=4.05; Hemoglobin=11.1; Monocytes (%)=12
SUBJECT_SAMPLE_FACTORS           	PAM345	PAM345_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=8.438791853; White Blood Cell Count=8.71; RBC=4.22; Hemoglobin=10.5; Monocytes (%)=12.5
SUBJECT_SAMPLE_FACTORS           	PAM345	PAM345_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=8; RBC=4; Hemoglobin=10.4; Monocytes (%)=14.3
SUBJECT_SAMPLE_FACTORS           	PAM346	PAM346_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=10.92407019; White Blood Cell Count=6.47; RBC=4.17; Hemoglobin=12.7; Monocytes (%)=19.3
SUBJECT_SAMPLE_FACTORS           	PAM346	PAM346_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.44; RBC=3.59; Hemoglobin=11; Monocytes (%)=10.5
SUBJECT_SAMPLE_FACTORS           	PAM352	PAM352_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=7.409390936; White Blood Cell Count=5.72; RBC=3.94; Hemoglobin=10.8; Monocytes (%)=15.9
SUBJECT_SAMPLE_FACTORS           	PAM352	PAM352_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=4.9; RBC=4.17; Hemoglobin=11.4; Monocytes (%)=14.7
SUBJECT_SAMPLE_FACTORS           	PAM355	PAM355_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=64; GENDER=Female; Log2 Parasitemia=13.26664016; White Blood Cell Count=7.73; RBC=4.06; Hemoglobin=11.3; Monocytes (%)=9.4
SUBJECT_SAMPLE_FACTORS           	PAM355	PAM355_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=64; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.38; RBC=4.41; Hemoglobin=12.4; Monocytes (%)=7.7
SUBJECT_SAMPLE_FACTORS           	PAM356	PAM356_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=8.321928095; White Blood Cell Count=6.09; RBC=4.29; Hemoglobin=11.9; Monocytes (%)=14.4
SUBJECT_SAMPLE_FACTORS           	PAM356	PAM356_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.05; RBC=4.19; Hemoglobin=11.8; Monocytes (%)=9.7
SUBJECT_SAMPLE_FACTORS           	PAM357	PAM357_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=6.906890596; White Blood Cell Count=4.52; RBC=3.72; Hemoglobin=10.5; Monocytes (%)=14.4
SUBJECT_SAMPLE_FACTORS           	PAM357	PAM357_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=4.31; RBC=3.58; Hemoglobin=10.2; Monocytes (%)=13.9
SUBJECT_SAMPLE_FACTORS           	PAM358	PAM358_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=9.816983623; White Blood Cell Count=5.39; RBC=3.66; Hemoglobin=10.7; Monocytes (%)=9.1
SUBJECT_SAMPLE_FACTORS           	PAM358	PAM358_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=4.17; RBC=3.96; Hemoglobin=11.5; Monocytes (%)=9.8
SUBJECT_SAMPLE_FACTORS           	PAM360	PAM360_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=8.668884984; White Blood Cell Count=7.06; RBC=3.64; Hemoglobin=9.1; Monocytes (%)=14.3
SUBJECT_SAMPLE_FACTORS           	PAM360	PAM360_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=9.11; RBC=3.92; Hemoglobin=10.6; Monocytes (%)=8.9
SUBJECT_SAMPLE_FACTORS           	PAM362	PAM362_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=89; GENDER=Male; Log2 Parasitemia=6.169925001; White Blood Cell Count=7.75; RBC=4.86; Hemoglobin=12.6; Monocytes (%)=10.5
SUBJECT_SAMPLE_FACTORS           	PAM362	PAM362_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=89; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.36; RBC=4.31; Hemoglobin=11.6; Monocytes (%)=10.1
SUBJECT_SAMPLE_FACTORS           	PAM363	PAM363_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=13.25989035; White Blood Cell Count=5.39; RBC=3.44; Hemoglobin=9.7; Monocytes (%)=16.5
SUBJECT_SAMPLE_FACTORS           	PAM363	PAM363_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.08; RBC=4.37; Hemoglobin=12.4; Monocytes (%)=5.6
SUBJECT_SAMPLE_FACTORS           	PAM364	PAM364_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=7.918863237; White Blood Cell Count=6.9; RBC=4.18; Hemoglobin=11.1; Monocytes (%)=11.7
SUBJECT_SAMPLE_FACTORS           	PAM364	PAM364_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.69; RBC=4.05; Hemoglobin=11.2; Monocytes (%)=12.7
SUBJECT_SAMPLE_FACTORS           	PAM365	PAM365_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=8.64385619; White Blood Cell Count=6.87; RBC=3.86; Hemoglobin=9.6; Monocytes (%)=18.3
SUBJECT_SAMPLE_FACTORS           	PAM365	PAM365_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.46; RBC=4.24; Hemoglobin=10.7; Monocytes (%)=10.5
SUBJECT_SAMPLE_FACTORS           	PAM368	PAM368_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Female; Log2 Parasitemia=10.81458247; White Blood Cell Count=9.91; RBC=3.49; Hemoglobin=10; Monocytes (%)=11.2
SUBJECT_SAMPLE_FACTORS           	PAM368	PAM368_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.49; RBC=4.02; Hemoglobin=11.3; Monocytes (%)=10.5
SUBJECT_SAMPLE_FACTORS           	PAM369	PAM369_Inf	Infection:Infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=75; GENDER=Female; Log2 Parasitemia=9.554588852; White Blood Cell Count=5.6; RBC=4.21; Hemoglobin=11.2; Monocytes (%)=7.7
SUBJECT_SAMPLE_FACTORS           	PAM369	PAM369_NonInf	Infection:Non-infected	Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=75; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.96; RBC=4.17; Hemoglobin=11.4; Monocytes (%)=9.2
#COLLECTION
CO:COLLECTION_SUMMARY            	Peripheral blood samples were collected in Serum Separator Tubes (SST). Serum
CO:COLLECTION_SUMMARY            	samples were isolated on site in Burkina Faso by centrifuging blood samples in
CO:COLLECTION_SUMMARY            	SST tubes for 30 minutes at 1500 RCF. Separated serum aliquots of 0.5 ml were
CO:COLLECTION_SUMMARY            	transferred to cryovials and stored at -80°C.
CO:SAMPLE_TYPE                   	Blood (serum)
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Serum Separator Tubes (SST)
CO:STORAGE_VIALS                 	cryovials
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment was done to any of the samples prior to profiling
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were prepared using the automated MicroLab STAR® system from Hamilton
SP:SAMPLEPREP_SUMMARY            	Company. Several recovery standards were added prior to the first step in the
SP:SAMPLEPREP_SUMMARY            	extraction process for QC purposes. To remove protein, dissociate small
SP:SAMPLEPREP_SUMMARY            	molecules bound to protein or trapped in the precipitated protein matrix, and to
SP:SAMPLEPREP_SUMMARY            	recover chemically diverse metabolites, proteins were precipitated with methanol
SP:SAMPLEPREP_SUMMARY            	under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by
SP:SAMPLEPREP_SUMMARY            	centrifugation. The resulting extract was divided into five fractions: two for
SP:SAMPLEPREP_SUMMARY            	analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion
SP:SAMPLEPREP_SUMMARY            	mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with
SP:SAMPLEPREP_SUMMARY            	negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion
SP:SAMPLEPREP_SUMMARY            	mode ESI, and one sample was reserved for backup. Samples were placed briefly on
SP:SAMPLEPREP_SUMMARY            	a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were
SP:SAMPLEPREP_SUMMARY            	stored overnight under nitrogen before preparation for analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Low pH polar
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Proprietary analytical software for integration and peak picking
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	raw area counts
MS_METABOLITE_DATA_START
Samples	PAM229_NonInf	PAM231_NonInf	PAM232_NonInf	PAM233_NonInf	PAM234_NonInf	PAM253_NonInf	PAM256_NonInf	PAM257_NonInf	PAM260_NonInf	PAM265_NonInf	PAM266_NonInf	PAM267_NonInf	PAM268_NonInf	PAM273_NonInf	PAM274_NonInf	PAM275_NonInf	PAM276_NonInf	PAM277_NonInf	PAM278_NonInf	PAM284_NonInf	PAM293_NonInf	PAM296_NonInf	PAM302_NonInf	PAM309_NonInf	PAM310_NonInf	PAM332_NonInf	PAM334_NonInf	PAM335_NonInf	PAM336_NonInf	PAM337_NonInf	PAM338_NonInf	PAM340_NonInf	PAM342_NonInf	PAM343_NonInf	PAM344_NonInf	PAM346_NonInf	PAM352_NonInf	PAM355_NonInf	PAM356_NonInf	PAM357_NonInf	PAM358_NonInf	PAM360_NonInf	PAM362_NonInf	PAM363_NonInf	PAM364_NonInf	PAM365_NonInf	PAM369_NonInf	PAM226_NonInf	PAM264_NonInf	PAM280_NonInf	PAM339_NonInf	PAM345_NonInf	PAM368_NonInf	PAM229_Inf	PAM231_Inf	PAM232_Inf	PAM233_Inf	PAM234_Inf	PAM253_Inf	PAM256_Inf	PAM257_Inf	PAM260_Inf	PAM265_Inf	PAM266_Inf	PAM267_Inf	PAM268_Inf	PAM273_Inf	PAM274_Inf	PAM275_Inf	PAM276_Inf	PAM277_Inf	PAM278_Inf	PAM284_Inf	PAM293_Inf	PAM296_Inf	PAM302_Inf	PAM309_Inf	PAM310_Inf	PAM332_Inf	PAM334_Inf	PAM335_Inf	PAM336_Inf	PAM337_Inf	PAM338_Inf	PAM340_Inf	PAM342_Inf	PAM343_Inf	PAM344_Inf	PAM346_Inf	PAM352_Inf	PAM355_Inf	PAM356_Inf	PAM357_Inf	PAM358_Inf	PAM360_Inf	PAM362_Inf	PAM363_Inf	PAM364_Inf	PAM365_Inf	PAM369_Inf	PAM226_Inf	PAM264_Inf	PAM280_Inf	PAM339_Inf	PAM345_Inf	PAM368_Inf
Factors	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Non-infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected	Infection:Infected
N-acetylaspartate (NAA)	1290354	1176305	1272874	1183988	1186893	2079056	1880212	1471709	1865296	1114747	2600599	1667923	1298969	1328332	2495033	2211685	1319310	1693366	1132227	1113761	1930645	1230545	1237646	2111461	1165553	2068757	1860547	2131837	1692854	2121680	2839650	1928924	999644	1941066	1700113	1211485	3458864	1434367	2628904	2824268	1355732	2112065	1331109	1318844	1538437	1622216	1202401	1455647	1941131	1037825	1188658	2004331	2496444	2498387	1785527	1312031	2142448	2595781	1372707	1269074	2757882	2290272	1767992	2728231	3163367	1879136	1741374	2072094	1777438	2135020	1901940	2323080	2111824	2219881	2384289	2006233	1286507	2440857	2364410	2097399	1213276	2468330	2136228	1776081	2036611	2028134	1398175	1174478	1355166	3366280	2581696	2700815	2661087	2442148	1845545	1839026	2305306	2428348	1344884	2260460	1196487	2444430	2123811	2139219	1253159	1333162
beta-citrylglutamate	101816	131243	193768	51857	87168	142866	167057	227772	175831	284315	347869	201706	182544	104730	159738	172760	148549	104051	115893	160012	214866	199412	423721	96370	141351	156284	163239	202371	182898	109018	150332	122600	119825	102691	101538	415786	241474	222315	88301	115082	127841	222857	264209	224045	216166	110305	332417	216547	185838	124029	303851	73562	265566	214735	197021	172422	263039	277838	214534	168428	543912	262018	287790	162739	270885	273753	176088	156246	195331	270283	206787	205811	243305	286901	154146	260735	137371	269398	188134	186459	252625	245590	153354	158293	167130	232730	221182	198544	370170	282828	204928	151547	144539	198602	209607	339592	185737	230749	152898	315306	189601	181494	209545	334290	282059	97458
N-acetyl-aspartyl-glutamate (NAAG)	148727	125791	143222		144484	126972	172038	258865	224321	81357	190603	188635	174147	63875	97737	119009	155235	123927	87348	109128	94456	124650	184942	104641	54320	129909	75126	59834	69118	46824		86963	120290	95579	221491	84803	142832	125893	106601	150120	85417	122010	102527	79213	63391		188870	88547	63097	203690	117675	236661	69904	137988	97287	90129	89529	102768	167713	185174	290209	274867	60817	218066	170445	129638	72889	109369	132223	140475	130036	133819	134536	128433	140803	237087	51522	109645	209533	63195	32303	84739	56037		69556	93548	45384	159843	67573	131050	165318	128277	143483	42872	109941	153335	68322	61201	52360	176573	135801	67323	286996	117446	151619	51566
5-oxoproline	50886808	60998044	60217748	43788892	52959740	68632672	69271848	59130008	78015952	59782192	67262256	54216864	64651604	54913060	70392784	42573452	49278068	85609896	55447176	75553592	76629448	56233300	67633584	52956320	45243176	50230528	59758724	77102264	61942236	48552068	53447252	38344820	40809608	51203176	52910648	59248532	65243628	62407196	53444892	50000164	61518272	48094536	66296120	63394692	45703712	47101692	55387792	52355376	52955272	40080488	50175772	51692612	56019000	59108052	59367208	75085952	51825976	70029320	55042936	64830168	65899740	60089912	62979648	59908540	59224820	57959020	57818280	52568516	56159320	57410548	66845212	57957272	77617256	77148480	67729232	56202404	53214760	83340400	53475660	60827824	58366840	85083912	58569476	62721896	53828684	62077364	67162880	56863936	66312804	58230656	62584608	61473516	59735516	73533584	47869512	62414640	80064096	64508864	64882008	68467016	82675112	63056652	53272792	57470564	69627672	47537256
N-acetylthreonine	5980233	4803471	6150738	4787430	5349324	5466575	4143833	5990315	5271256	5601909	8993070	6521297	5844697	5426460	5390578	4005877	4734407	4981734	4129233	5173126	4128012	6034622	4761524	4134989	5206195	5630117	3796678	5019023	4016821	4901758	4980431	4432416	5050953	4386706	4104063	5473281	6232666	5567370	8184300	5206447	4859993	4170523	5089447	5500816	5210682	5992387	4511880	4573207	5537079	3236918	3723882	5830430	8507686	5339900	5127767	7106877	7797248	5314713	6061588	4638568	6558165	5168752	4539082	5423403	5929627	4417301	6755758	5539745	5891573	4994940	5080737	5633960	5988214	5238790	4389203	5252439	5625186	3977383	5240441	5069493	3688646	7780359	4055705	3171792	4319097	7120216	4456084	5507186	5027512	6253029	5467920	10081427	7492657	7155421	4614103	7819829	5369483	7619331	9674564	4166656	5907343	5307861	7238806	4454649	6682071	6533352
histidine	61975936	74429584	77176824	72558736	68907400	68396936	58611972	67926032	68712552	70709272	78312816	73003912	85955472	59467124	92804848	68802912	81942008	89710888	78539136	70557080	74086480	68810304	67762032	71979392	61184500	92455480	54086240	75919976	79682032	71161688	83670024	72454288	59578340	72725824	75758368	73646648	79464296	98377848	71821888	71492688	67937096	66025800	62487760	81472112	64041324	59154644	75449560	73096608	71612176	59391580	72151016	77175416	53875232	72998768	80951448	109713696	63242328	82964976	57975340	49650172	62440044	67921144	77353400	67728232	67352752	80036824	66727812	65417108	84432752	78015640	75854832	80963832	66981076	73663016	78720272	66826524	67163392	85127288	58354520	48830180	72341792	63077120	72609392	82027704	75915720	63217128	70295792	76968232	81759144	68251912	71319120	78013960	75296176	72241304	62381268	70436896	69557728	64633864	67551400	80507680	80771448	73430568	71970192	78399320	65651628	67258656
N-acetylcarnosine	856570	308545	294724	713865	741332	323397	293067	532479	103945	807777	1278222	795452	312018	418554	491455	250456	595662	340908	153701	432724	458886	202841	225256	570192	408301	578432	115746	1043630	191721	858435	615567	217942	445976	415408	225912	878514		271929	1179089	252163	302176		523995	1382811	137191	592693	246819	671257	1146479	460252		347768	1128405	720061	298524	223671	455422	637711	433150	192478	368662	302947	736450	279652	814815	251333	379679	617722	219547	530048	433135	556980	644685	234216	279532	294480		178805	200790	587961	672208	475225	746439	231255	218213	440788	281670	366148	467437	393720	440596	1950081	304404	790840		259228	497307	488103	704744	265602	531838	459254	320219		321586	564471
1-carboxyethylisoleucine	82914	118121	60536	59932	25981	60690	94983	84912	56026	84899	121827	99990	73467	83938	86422	32702	78433	69386	35242	76561	29895	60055	124921	65134	27262	102425	46858	28395	104628	44619	64730	42810	70303	50419	79095	31259	46137	107076	69842	80126	36262	67310	32404	54032	81182	28703	73075	42153	98249	26314	64663	106950	53624	181814	127912	105321	58452	80398	39599	66669	92093	51147	50848	50808	80398	67679	68194	57037	91875	53017	52048	65345	109572	54141	93748	72157		68737	97963	73892	41244	141056	46752		49958	55229	80556	49470	142489	63103	80768	64575	84620	116599	104803	85899	92431	47954	103736	86226	53918	64116	27216		228457	41245
1-carboxyethylleucine	64725	104803	81978	100038	40950	96515	100490	89263	58204	78169	128562	142423	63889	98204	100883	56308	98527	86464	69206	109467	85333	138490	174971	53889	30606	130632	37727	67027	100183	65544	121833	53504	86365	60884	132986	89023	96905	116096	168013	132428	57830	122796	78068	108377	70685	56770	131473	57996	77614	21351	48608	156697	73944	169999	108057	140418	153013	106805	91565	91302	226407	85154	119612	90305	95633	134573	161181	84598	210326	141733	101146	144547	158561	100612	134448	177478		167048	87428	113006	115855	128078	99578		106341	243111	149728	216104	230192	197172	153925	145128	158202	122939	239342	195030	101563	110025	232652	131387	121503	78495	103833	116955	249940	89247
1-carboxyethylvaline	269636	308766	233205	225316	135801	189934	248701	212878	214369	250214	401026	318183	194769	276362	255801	211661	261002	222310	149901	255124	153305	230448	398346	163165		237449	142877	96777	356079	182848	224705	122026	242056	165187	222891	114617	192177	321251	299093	272840	61438	285355	203353	237001	210567	128324	300871	164988	323940	84754	198558	332031	186104	551592	349181	360130	185968	397706	164854	259839	299549	186670	272969	176180	227451	307188	305639	222474	274043	238144	176145	344109	325833	179360	345755	302240	171974	268819	226560	232932	198713	346125	225302	103363	213155	360278	374494	302028	455513	289250	338243	260787	303520	370415	378360	461545	267863	223308	478029	351557	189797	246739	137052	317381	648287	168103
2,3-dihydroxy-2-methylbutyrate	1431507	6010038	13459140	4460618	6341257	5015970	5187629	5574792	1474334	6148333	16557416	3205434	21076342	6181698	2873624	5984419	3167870	9354139	1135658	3305783	1479861	2956406	1473587	542685	966376	440861	574452	987594	418193	381510	901120	742525	657197	507592	586552	958056	720873	528112	600702	715502	931373	1123939	357210	464668	688179	548009	647326	1696467	4473032	5071937	352280	809332	685714	332090	3707350	4242502	708538	412283	494371	504318	1130395	579546	592631	796855	973329	697871	631900	831823	671569	361540	483603	816109	712554	581919	515511	692930	837353	366596	620069	745899	492669	1006098	356096	719179	681310	794285	625327	572740	737197	734374	860629	668510	1002053	889017	1044072	615932	529381	1406616	1276887	840132	381097	601969	1090007	532607	1097656	671630
2-hydroxy-3-methylvalerate	834351	1046838	868508	811927	962922	304192	771570	1211421	1576781	1482588	1234449	2347059	903301	678555	620647	465855	567721	963427	403705	1105478	563687	625076	1006772	352602	570533	484465	617622	727225	1818113	889342	847906	590768	1015883	642961	509211	598248	565872	634372	1318256	1150773	432357	1173515	640188	2535451	1174568	1036600	590833	702092	1206472	771166	1413082	522575	1845832	1809850	1180322	835687	1515366	906769	329000	717239	1090959	931259	818734	476615	1439091	1827174	761920	807242	497951	457892	710468	901900	1005418	731523	671034	1047696	707496	472574	1005884	1385154	715690	2644910	861664	719761	645326	877163	581991	609722	1927985	802767	597825	1202110	734001	971317	1801843	1141316	2077367	1277320	1066462	728265	580224	912209	536613	910944	1285964	2427394
3-hydroxy-2-ethylpropionate	1067017	879598	1720935	697749	1217049	2021827	1189262	758108	534477	1762861	1244574	552765	1448541	806752	1921230	1459352	1488411	1974382	2467101	1505634	1371332	1089586	819031	1104975	2056527	715579	450236	1507689	1044921	868118	916275	472874	675925	706597	1284090	1290856	1378550	1739277	1477717	537296	624270	4102889	816221	1223980	704392	1522090	1037515	958400	1219878	1902333	509065	1996292	2124424	1349412	1111650	1295803	1125941	851607	1876729	873604	970953	1184046	1855513	1072511	1247063	1499561	1159624	1314779	1655160	795044	765569	1887988	824239	648927	676967	601837	953102	487809	1126233	836215	1903082	1467594	722189	1405395	501592	538116	719034	740718	2334901	1036492	1339979	824555	1818743	1810584	1024300	1619594	1946923	756858	1230360	521156	821822	1681184	1434159	472190	1247614	1268564
3-methyl-2-oxobutyrate	21240164	18339486	17795678	13290213	18105896	19641968	17376518	17405948	14210348	21020026	22585816	19438192	19053514	20579638	14134843	14444150	16718492	20095316	10532567	17434848	17955522	13002889	14303204	12144116	9141029	10666873	10613495	12923465	13118093	13865434	11669020	10591267	12648862	17094136	11191616	11018667	11086810	11205897	11205337	7984966	7645710	13612597	12125023	15186981	11178331	10886878	14448751	17537906	14404728	14002615	12364660	11084586	13217703	17865378	21852912	17335528	15467576	14263288	19308968	20016816	10634457	12933375	19099492	8478649	10864195	16794824	14666423	12571386	16973688	14516182	10640609	12305598	9359894	13864512	13524259	11385899	11783969	11901870	14658105	9511651	18113586	10830853	13926220	8520461	9772099	12788814	16050777	13243699	22790986	8048877	13589559	10120327	7592799	14034722	10995904	12466251	11046852	9886190	9087901	12434527	8657312	17323206	7938076	15520460	15356372	7334101
3-methyl-2-oxovalerate	49148304	45467528	48070312	26925660	51980844	56029232	45855016	58695484	41517972	51443088	60751880	48384220	57399216	47617512	39439372	42773420	38818776	57759076	19984402	40388936	45164612	32257196	41589804	26038286	28122828	26583810	29575430	38227772	31476214	37793712	32797620	22584378	23508628	46928844	28016438	29498664	28548098	40880128	20744892	19733018	23553936	23543566	29732596	29514118	28975258	24107454	31540832	33352100	44078204	26684596	41453516	33000050	26362182	39143128	55209548	61199876	46041524	32527232	54903824	37066456	28856122	27079904	47739224	25265536	29437328	34179848	24114552	25057142	44852012	28862842	24417230	21287208	32726506	40498080	37025092	32456634	32521910	36232660	40348396	20995112	52623448	28199350	40413128	26490500	24123944	33425546	34216300	34814300	60381320	17673374	22545578	19862110	20130882	42781276	23290494	34652424	24532392	18037316	17382878	34119160	20851756	49827712	12166532	33977260	51340460	15109254
4-methyl-2-oxopentanoate	65137636	57654736	71891112	77059912	63566748	98975536	79413200	82637848	56944568	82426688	78076048	76085952	75865160	59018184	82420544	60931228	61789984	78378488	66011600	83577424	62048644	73798224	52351840	36422284	44299116	77759544	37763280	64059708	49760676	67814968	85024480	57710668	89674928	85932000	101617424	75255592	82340976	89927712	84092952	59154744	52814816	60971748	42073684	64082356	41730984	48967904	72264640	49050748	72863336	46300656	64976636	106376768	51327776	80492512	88413448	78516128	68153088	54053136	84707176	69914104	62584220	56660572	98079168	43712228	45059136	82113392	78744536	67814872	125589504	76609552	45834016	73089280	73594216	71099904	66868256	51901400	45046256	45527592	59053932	45432692	75465976	54631012	48727608	65638264	60088504	93583752	57894368	73155232	105856592	54800748	64895308	68838928	64483680	48207532	67221992	71919520	42718584	51431952	44915300	54491276	66446220	92121008	72859520	57364228	62706440	44641908
alpha-hydroxyisocaproate	538811	673883	937081	851983	826837	489652	744891	811614	1157444	1094759	789951	1194827	1054178	846899	1004333	424486	823829	998185	905422	1056022	790150	957616	662274	440104	768259	853284	545799	1186320	2045069	1217077	1207343	787103	1410074	818207	1014494	1069202	900414	755249	1964486	1624278	581081	590278	823726	1466257	749996	1055186	852328	540046	1013373	490315	745580	840941	514843	1101322	1178203	887165	1128657	473994	567819	901527	761428	841944	1481200	607623	641908	1305628	1270562	1336374	1388415	1006634	884115	1332205	1268964	1028156	929858	710638	1075208	707801	801750	1609430	1291260	1028395	544284	887197	837609	1573113	676591	957603	1913589	1123068	981455	1420163	1107991	1192606	1555011	1546785	1620262	1546672	1367451	754639	795164	1300469	1315946	1234621	924211	938928
beta-hydroxyisovalerate	3041390	1724700	2721495	2605422	1667434	3417312	2955864	4475599	2091937	4686163	6733121	4720983	2422401	2104798	3671830	6904325	3790510	3107617	3850908	5211246	2678605	4286012	2671122	4808320	3176118	4160503	3133565	3919478	13499703	2280044	3532698	2352308	4915771	3069504	6670203	3322498	4055420	5769632	4601511	3325556	3666046	7233705	1857665	5013968	2544194	4498226	3421433	2230356	5083329	2227887	2558164	12234538	5558389	7239563	4578788	3699657	3126477	4303148	1123354	2764721	5817339	2252602	5488373	4591555	3695058	4609682	4443499	5482535	9347445	7512379	3491914	5110088	5293147	1947008	2836511	2861162	3060065	2019014	3774374	6216365	4440188	10001127	1992067	2819897	2291517	3238511	2887332	5563803	3302100	4473112	3778395	4898005	4922957	5495780	8236611	6615098	3251313	4599941	7331785	2271141	4716571	6149760	5595923	2974442	5285048	8169226
isobutyrylglycine	135141	194680	282557	161128		215410	309160	105578	109036	123178	313639	209869	215341	265681	297056	628986	191385	397988	336869	238517	229034	122091	168211	125055	387892	209168	312505	243856	346870	312206	366221	185802	414424	244455	148378	205659	311122	315198	592714	204096	186469	226069		111771	159968	120564	203325	107501	379757	82974	163563	321738	174373	218248	271280	295076		254299	158006	223850	128910	174790	212031		367131	178274	289538	249794	583242	368482	289439	414445	232947	160497	326472	276653	316475	106594	430308	286876	243223	355477	238456	215790	263887	294229	234955	278861	291428	285189	252131	734527	263047	196146	253438	180660	535633	208697	474513	426688	162909	333222	296085	99880	433685	291618
isovalerate (i5:0)	3528158	4558891	6238110	4946457	4712527	8228169	4891562	6078865	4348895	6675388	9596755	7205528	6667480	4874608	8931111	7597297	5964368	7189343	5987065	6424128	4941555	5151659	4016038	2896279	5482002	4450458	6131958	5063059	4046252	4294846	8988318	5374083	5091669	5209296	6217198	11576032	5441871	8338853	3841262	5305860	5530595	4652373	3675138	3883815	3541701	4013701	4305515	2396517	7884968	4638171	7350099	7105527	5117969	6347522	8901002	8122482	3899581	4280727	8546771	3435834	3899160	3494732	5639901	3670103	6238799	4674586	4569456	6298326	7785246	7639984	4684464	7050637	5222751	4131320	5023572	3004850	3605359	3769094	4845497	6410591	7132572	9278101	3081789	4611058	5417040	5279644	4468845	5998509	5930218	4700638	7585739	4208642	4956258	4791709	6905459	6010206	4039154	5651968	4050339	4870351	5251958	9227649	4926575	3082634	4045100	5022056
isovalerylglycine	124853	107909		179076			156546		54776	181437	196614	170880	136435	245256	240442		235945	99510	199530	213706	125570	260725	195318		154309	260459	179200	188836	354922	256506	255442	156491	428807	246206	247779	222429	196614		464471	297127	190763	221701		181081	114900	276945	205200	187015	208128	153778	178764		184564	209845	262238	260442		206809	133253	107256	144840	161799	166853			99596	133004	155882		259020	112119	301435	183252	116676	394908	161061	106165		509637	225994	82780	230861	166331		255259	236480		202442	250898	195926		636095	326158		239400	255232	686366	150948	281541	397500	286961	140649	210759		187091	
N-acetylisoleucine	294757	192864	367259	223717	155107	181307	242716	271978	292574	263446	296328	300800	257742	201941	229376	339727	279063	358653	176734	261151	285953	286923	153028	142081	261702	279231	296122	158282	370510	235891	165645	254872	399940	216683	231923	254951	269686	334122	432747	219008	402951	354893	35632	274897	226148		321790	91207	318963	255087	263093	324167	391215	262717	261742	203034	231446	287793	164839	253278	309239	158182	262720	249005	250337	259712	333139	223862	184931	340012	325422	237730	245916	303267	237065	280246	266298	271782	466017	293770	286454	281085	225117		265043	273437	192434	300628	387688	326338	283075	263093	340830	300540	337983	86047	546952	317954	288352	318697	281841	272712	310418		300891	233969
N-acetylleucine	192074	136868	328699	173800	157524	216363	234722	167495	196785	209216	213035	262488	266894	250277	201334	266845	302277	267607	205390	195354	212966	256405	161052	135781	239292	290509	243863	246822	210484	226713		224280	291594	201452	329268	300447	248536	383905	319113	155317	231932	220211		258768	194291		303360	121166	265371	209674	253639	398351	194512	289465	245104	180293	137444	221617	140147	187857	332425		246083	218186	243080	287534	291467	223975		194911	185899	194513	236468	220453	194092	278917	164441	315244	366052	283976	324364	260586	147604	236114	212416	205775	215580	340268	505287	228295	260897	202956	209418	227732	267175		382876	310458	346299	298734	281932	222717	286901	211776	266063	137671
N-acetylvaline	326941	317721	351364	294478	349171	356487	288367	326573	433807	325534	396642	350426	324571	289899	349736	345108	267816	289381	261020	370534	300316	275331	258574	216461	258430	265023	279019	409419	360849	223992	337683	246730	306710	253192	239336	310220	322906	301179	396199	286573	293785	357564	262686	328328	268876	304983	329413	189606	308009	235376	249051	334716	393806	367560	322551	378884	291144	325724	327003	319667	352303	360525	270171	342021	298486	265781	342592	321377	283760	320475	348902	317388	333017	320191	262117	295063	302831	272322	443631	254865	254236	454219	237081	171451	249114	286694	339201	344434	422950	353045	280642	370313	296417	345144	323486	291023	488530	336440	354700	364490	333204	312650	295399	237380	345043	342148
2-aminoadipate	358432	200832	277600	121178	261649	211587	165937	186744	269171	413105	442785	360996	176287	195854	86516	342814	265053	274553	162674	323626	330256	192131	276419	201710	174414	227429	125569	177007	278605	187027	160721	164876	191700	279303	211110	201969	166915	392950	172333	175114	161547	104642	292400	382556	341095	153231	213029	215924	189205	235365	142219	183965	223713	354775	536844	460412	173993	285660	272038	191885	152841	184304	327378	224880	279629	234781	230065	182822	323321	231744	241532	302701	304333	181422	152183	177302	304228	254621	297848	159401	329208	249197	140032	89549	147895	106769	243287	283866	440626	245192	399169	261835	211402	330147	174447	656477	180032	183546	222282	253961	214033	319441	171145	124938	304758	178372
6-oxopiperidine-2-carboxylate	1706246	776057	896126	393487	664216	466790	492726	800409	1580768	1573524	2021155	1682129	1018965	1257094	2039046	1385246	905283	911962	369786	743966	663914	1060868	874125	657945	1438856	1188485	331939	320517	639943	434962	1106642	626070	1302262	686133	421385	596525	553011	1985750	500149	627858	410167	884419	574617	1959622	627597	309822	847890	869576	1533523	824449	644768	712583	684101	1280407	1411621	2331333	433180	2085446	742496	322462	572731	924460	834460	400652	1375290	879351	608037	1972203	1280429	1397792	1315571	770581	817392	227694	665673	559088	2622538	651867	1093075	1262984	606448	1255553	361870	640936	420106	605644	664470	779968	1108503	843602	1980083	758012	610717	1494256	1363179	1342010	623937	866836	1159279	1781112	752942	1292745	1074849	532388	1254318	1169291
N6-acetyllysine	744811	632706	759277	637262	650043	808920	694367	869612	724813	712175	1277815	840705	721039	772570	993830	762058	874955	857669	519040	829314	661680	771861	710234	632966	614663	668662	491226	669704	714891	585783	770199	518240	644055	690016	558626	700886	685278	829262	966711	628750	611095	675497	724746	827313	738114	687826	569569	619355	913914	641561	627757	727437	738089	815927	732006	1070122	827953	738976	821941	689601	989037	626941	665522	696786	883724	587312	1012082	945859	791214	969920	1359118	887670	995605	617330	732762	758060	709974	540779	786546	428273	666986	895583	508469	656545	533793	555712	772565	648141	783485	803799	963577	1075653	640152	964183	663786	915883	898295	741152	840605	646421	745937	770523	700060	551996	953214	695736
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	3896020	2232944	2600979	2453970	2179581	2882398	2873695	2771011	2082739	2404418	4109399	3070804	2714440	2390613	2701542	1988392	2144416	2461667	2407616	2670245	2323089	2367475	1956386	2615443	2541970	2572447	2251722	2756222	2029059	2203054	2807158	2559839	2239916	1924577	2184551	2179312	2617682	3087608	3746935	3028789	2460124	2634378	2497143	2798576	2714479	2993202	2152711	2207473	2385017	2262807	1741941	2556039	3460464	5876095	2217780	2785283	2861746	2475576	2507219	3264430	2952476	2333105	2429197	3116030	2923254	2725733	2830560	2207563	2786269	2003177	2291988	3246362	3526298	2634638	2527128	2602807	2467795	2555398	2440407	2596053	2263056	3232982	2006791	2428870	2363769	2227081	2180177	2474238	2381298	2706234	3395529	3858820	3407774	3138550	2399983	3472484	2425569	3160948	3613473	2344547	2851914	2748354	2331544	1715319	2744690	3053095
N-acetylmethionine	1247530	861514	890175	713993	956975	673681	1342533	1219643	2158058	1408333	1408285	935329	985916	1100721	1135371	1094625	927174	642465	583887	1131289	638256	1380427	1687187	937774	1010547	1493741	670033	1356405	1367239	846106	1231659	921916	722645	803965	749184	1462123	1410418	743447	1134728	934601	809514	1290823	1467606	1547253	1227772	1449711	1251444	1255447	995651	736431	988248	787398	1400699	1677524	1038383	1143486	1814754	1469102	1365564	1628289	2718123	2173412	2024518	1011414	1467583	1322053	1934528	863050	2114788	1373833	1167283	1309117	2146355	1586050	666707	1416914	1086055	1960449	1751989	204845	1814041	1897304	1254995	1310290	1399637	1588303	1580989	1744600	1951479	2023688	1127723	1898056	1197034	1306370	1815391	1910204	1579918	1756413	1949652	1272207	1547191	1422221	1377134	1794155	1633959	1241583
N-acetyltaurine	1694449	1125115	2270138	1699006	1232775	1528309	1442946	1781274	1018314	2124102	2329229	1958094	2375496	2123327	2379597	1415841	1769752	2331232	1156129	1576728	1782603	2716990	1455920	1450563	1671411	1416903	2004049	2291340	1603455	1700938	1092899	1134252	1761877	1405248	1223823	2346363	2160604	1542300	1906835	2081725	1589323	1357303	1673159	1957345	1306970	1590337	1688312	1651757	1855770	1748473	2097817	1522338	3050207	1723365	1219275	2106454	2138238	2133769	1214816	1286224	2456789	1259734	1457387	1813659	1782049	1739167	2085668	1672138	1555266	1767892	1381324	1219043	1442041	1496397	2434659	1231781	1346643	1247487	1949145	1744939	1288664	2344567	1719390	999844	1224420	1612160	1597360	1271835	1974756	1582974	1692356	1839292	1841136	1795004	1348309	2427737	1930449	1936566	2135155	1845560	1548657	1481600	2175995	2004150	1452913	2049272
N-formylmethionine	2627795	2366777	2825563	1588059	1896271	1751592	1987404	2195578	2268829	1685933	2548368	2165011	1919427	1845077	2151746	1473104	1790349	1874832	1412555	1919001	1790579	1435930	1471626	1556992	1794922	2013035	1496472	2028807	1664902	1714338	1898810	1641373	1406255	1653215	1305699	1471729	1871878	1675642	2151680	1711439	1583430	1740667	1789397	2016130	1757474	1868791	1342205	1602101	1869716	1854611	1203307	1916305	2622962	3240392	2363093	2840224	1870144	1893868	1728470	2224890	2238845	2363544	1632995	2121698	2155983	1516921	2124931	1846626	1619352	1711418	1734039	1766611	2175879	1862358	1311168	1552846	1656978	1288225	2241983	1251410	1695039	2627318	1703750	1509672	1564467	1549151	1770398	1473156	1572405	1976759	1657066	2333140	1692346	2224242	2066715	2138740	1853664	2256252	2166360	1504896	1933064	2011223	1683181	1208851	1994385	2193431
S-adenosylhomocysteine (SAH)	161868	65847	31787	44417		81549	85929	75145	61372	92466	88145	57297	66831	53021	72048	79158	73189	40644	56334	101640	73243	121102	111584	40106	51871	61238	84374	89610	65410	60813	70016	51979	35709	44277	55489	88870	94113	73507	81646	74773	58002	64504	84544	86728	66091	77857	79708	55185	47167	44042	48490	56662	74543	201993	68715	71008	85913	74509	85195	84284	109586	76107	92421	96758	68743	58566	98924	54023	96727	64293	62138	84191	82878	115395	84451	139145		110410	53554	78710	66275	82139	79886	72187	88986	100209	90541	109822	83570	107537	97408	89472	76584	63063	81400	83331	73722	93714	81165	78298	65384	72126	53777	107091	103617	47278
S-methylcysteine	5640527	5254730	1714011	895830	1992809	733941	1071699	3740427	7589381	3757591	6233806	4353346	4646343	1198485	759847	374767	549241	721076	628097	1834441	1256886	3554222	5192282	614880	793022	502019	498170	811214	1018375	798650	566791	648526	1246858	697272	527244	1138409	627191	773891	546624	764364	1069437	1032152	504082	1667926	751015	964192	479930	2661368	4063488	1373070	1053142	1333070	1213615	490865	8016678	3377947	864221	399331	435365	690121	1073098	1523304	638648	484311	2043803	622878	2067740	586200	383352	536288	570723	5915837	500838	1288711	752714	2566454	1184830	500239	611974	3605390	744974	3875567	894636	486981	460421	2281841	864595	1088445	17129884	881610	612298	771851	783799	4580847	1222559	2097167	3139757	2164111	4493342	755700	677085	541520	599458	737279	7441694	1580186
1-carboxyethylphenylalanine	682667	516385	400022	332440	372968	399530	642254	437070	270407	437416	673611	526439	474117	411561	506433	356684	462876	399013	244298	298181	174129	468687	654834	332941	145971	603715	300452	206893	479640	203583	421171	251325	495259	264910	357241	186578	350969	521195	651128	507411	165709	674972	245010	311402	419545	304597	435189	340420	390700	183550	350863	636757	459044	1297302	655053	640835	350412	797367	195399	395843	570465	260686	343141	394406	372693	497424	477711	442705	545052	492398	316690	439327	728457	227346	534623	1526829	275311	286719	580380	567474	207090	1004210	201018	183673	273568	481989	406183	289940	593772	567487	607543	554814	491368	572594	1028118	631079	542364	342885	1034395	515109	609247	298359	354765	291220	1219375	575619
4-hydroxyphenylacetate	777833	284341	307139	240978	292299	198914	291843	690105	581580	1111073	711296	871482		265021	976080	942304	602956	262509	207841	118979	181629	394223	666294	156912	224566	116453	120018	439332	363044	252185	367954	175432	550371	340595	186134	283861	303995	1513309	599277	274669	264911	188525	192300	1399144	338662	283903	140814	253878	543838	369572	148392	457500	694229	295484	285166	262735	322393	661838	231622	234297	618683	194068	587364	186433	1196760	353219	194959	299105	647953	710610	192646	173713	162578	202170	520848	298248	145454	523495	313878	215035	296341	362839	244527	190225	124418	239291	479418	247318		420002	949548	592167	255609	334772	204096	223649	247592	229027	635415	157014	418743	361859	978121	460648	295232	311868
N-acetylphenylalanine	334883	353687	347987	361843	297224	268133	306524	319930	311908	377820	358026	373102	376180	690106	525661	356966	505336	471765	272674	310013	209360	322260	331952	315179	249214	418617	345300	335512	387766	213408	296222	257525	365612	375737	315606	381222	307138	425210	458496	293380	256457	397055	202839	342123	283296	263494	359478	285623	334912	231713	351244	386347	270403	459471	403080	374066	307870	551696	257398	266688	317844	288621	277315	256853	242117	353251	347685	247033	363823	409439	360337	333616	341146	227496	386419	799936	719031	403676	570051	434932	297835	480751	170460	308970	320264	317237	460491	374268	797116	282929	353092	388294	265953	330887	374272	298657	537733	342638	409595	576033	557655	308045	296574	305139	388881	497895
phenylacetate	254404	176245	374425	100861	280347	164492	134205	168262	236074	767049	882389	131047	582809	163260	1443893	1879738	644607	291282	428081	166931	395543	655698	503780	74886	523206	339548	271572	1015648	453855	437031	724604	208739	313682	240014	323208	442146	688375	584931	388099	191075	494472	387039	119163	161360	301186	752561	399541	174668	79574	372744	263663	303588	1539360	841827	376726	369920	99341	434935	471381	287699	124617	274195	538395	106378	1763613	368863	440011	1728194	1010210	1230718	100421	507392	173417	98301	392276	219215	73364	126286	688444	771814	875874	1975834	691196	277819	218436	168862	462550	221713	65770	326302	535576	457770	181971	223545	1333903	201711	174654	120254	268022	342841	154680	201820	866940	321162	450327	912766
phenyllactate (PLA)	1671973	1421648	1983787	1548846	1922436	2068050	1563082	1388768	2236372	1885019	2235303	2220179	1794826	1262464	1404821	1515898	1416946	1762300	1203548	1369578	1058679	1645899	1845059	1329738	858029	1736761	1094000	1519419	11138210	1468581	3293312	1785759	6447377	1271866	1111443	1269144	1218054	1299400	3855507	3280254	783602	2237579	1132938	2030781	1573430	1946988	1112423	2005816	1972984	856887	1382523	1345586	3027487	3647518	2135599	1934318	2147783	1695761	1578609	1365783	1530088	1879233	1444542	1479468	1951842	2143444	2603404	1826297	2123541	1683759	1672099	2756689	1923043	1387280	2103734	8830367	1236448	1146108	3020682	3708936	1295316	4445083	1146323	1412876	1260506	2483345	1218167	1260707	4356409	1760561	1547868	3491055	1596424	2473912	3578511	1908031	2857829	1820601	4016388	1536304	2591020	1440045	1561076	1086623	2399329	4588700
4-acetamidobutanoate	915638	630410	754155	492316	597382	845160	559918	825910	453896	1155993	1110946	662947	606762	487600	776302	536685	486657	437794	659003	574177	454370	689877	574832	316368	440189	721384	430452	405300	513517	379012	567594	460340	493756	440167	391737	407452	705691	589668	719790	629559	522358	573798	501997	879161	441990	669479	587399	691469	591800	833229	463805	683413	798065	578017	584888	561016	587551	775520	552958	490902	654103	488846	530668	994126	745990	516336	592825	555550	516132	508825	521207	817684	657803	432990	571704	638110	496403	464393	649581	401589	363201	903466	308396	477088	401006	482875	522359	527444	363969	545914	667537	760045	607619	759237	616830	642486	434421	784834	732733	484525	598628	534610	690083	454979	780433	758012
acisoga	257630	172237	368827	162711	178222	256769	411321	402832	223661	244714	526359	287659	504902	389390	172833	89067	164102	299740	137242	249700	346648	165675	218599	446701	337051	185745	443399	342162	353761	264814	386267	530333	246928	280439	369743	313480	329578	380627	486423	280131	433645	336361	279072	292011	380568	572152	208617	125004	137163	271664	346644	321478	302205	198993	289238	258645	434543	197025	210795	436404	250738	194437	195501	325062	272807	449639	399926	143205	104002	184831	293241	174531	422518	304276	155944	226514	381831	318274	454816	477737	413887	548198	313377	351077	386946	145503	165442	344366	256387	249166	321723	689907	263585	249289	351026	189031	219845	320637	425628	236361	271066	341983	272841	226629	593255	555285
3-indoxyl sulfate	7601878	61084620	56482912	42248764	16702379	22627654	38827760	92533280	36723256	42393272	114657208	45932248	48405340	34860056	48196672	95221808	39377728	29107230	40236224	29981138	24377108	40262964	36452592	20655000	51958376	19384992	43651100	22689646	34758524	35248016	34937668	37142976	38431716	45111080	19351218	44147364	59043272	42633096	60688020	40270904	32797550	18633590	34496432	24220080	33650816	43112716	26908608	16300536	37143224	42817080	37442156	22378578	82531000	51157152	56381416	37847008	33143476	23297570	20493196	62423412	70778992	51849228	26675562	44117564	73293760	68501464	31585176	28465836	51504592	49913252	11162466	43654268	32800446	11742054	16068580	13770256	9439252	47521968	16102144	36030460	31421212	77201056	35964008	17968864	22823354	25207630	53957088	48481840	14187204	17929462	55228640	67847912	16796872	30743628	24848244	30819310	18219126	20070562	44521492	20951648	10173798	63966688	81464896	36190632	27493616	87937008
5-hydroxyindole sulfate		46412	72525					113076		57564	124947			42041	47624	138431							54858		104648				95180		43077			37437		87084	60154	69450	127918	45001				40014		65325				103769	54387		86906	68436			50326		35502	164400	84907	55209	72223	119022	92537	80294	56652			110379			45524					50294			45244	96739					105491	45562			130948	237920		39211					39319	48118		113805	261369	69726		133479
5-hydroxyindoleacetate	74476	50045	141411	84608		145242	123157	87265	63410	112552	203875	135487	58302	104825	113708		129353	120325	77072	125630	114851	51762	54810	68271	101663	91765	35864	86232	149742	86197	207335	95778	84110	133479	70751	60110		83456	93849	63898	95475	80920	101450	169404	53627		110234	147929	103365	63019		61555	85840	138089	88136	100416	111038	443031	146378	97162	109962	95220	110041	153305	61641	124634	94478	45230		70702	110782	73365	65859	73677	78413	75089		52622	85792	66176	84965	74053	121412	80212		56363	101006	75795	110202		90425	115477	91199	99577	48424		84295	112295	112053	104944	62878	46989	71130		115992	62574
6-bromotryptophan	566238	1067531	980967	1108713	1350624	1409640	1243263	608781	718644	1172709	1223705	1399609	639250	1081082	1150339	671828	1337246	1348514	1000564	1291279	633157	731565	1410570	863531	454414	867938	869906	1047659	681876	794539	597942	722841	742868	703855	644179	753251	745069	1404790	1091936	741993	601349	533945	816695	814114	850036	483925	1001634	963189	1428970	368948	579533	460707	621670	904249	1050812	1018064	1167570	1045642	1179048	1180240	763640	740123	1068224	927732	851561	1055300	1068253	594408	1026483	978766	1234288	1090731	1305973	551996	959491	928085	623542	811433	805679	347436	1026095	702446	731342	628083	671456	766291	725413	743682	730549	741481	1525839	1045998	651512	778620	584235	1034626	766825	961962	687770	1052284	913729	1458163	507916	374788	577120	879842
7-hydroxyindole sulfate		117339	64118	182161		62405	66662	239273	64087	138427	280788	47775	88907	101904	151636	130357	137302	54472	52264	207949		51614	148523	74776	206828	60401	93902	186147	198147	52646	76141	83833	172392	128957	41772	234567	192151	164083	272469	150481	66945	27933	164460	118315	99726	80837	79539	52165	83505	199545	66216	73131	110862	99591	113859	119364	374409	58420	96219	355394	259289	65261	92406	215210	216993	179687	87564	111265	63137	324204	45002	62353	163365				31439	180283	109354		268153	227519	51600		62311	107644	314484	173827	50870		227969	415977	48158	89464	89934	187186	152641	149592	49589	104693	46711	580974	301384	117339	101811	158451
C-glycosyltryptophan	463818	427261	466518	429342	494940	473573	392243	500778	357899	508443	759115	552861	510916	427580	542009	414937	432342	492987	434586	561920	485926	503204	464759	454209	448138	419434	353647	471526	427592	426540	400901	372695	371957	420864	427136	482610	515671	461284	564613	500431	434538	391321	592991	571426	504926	535498	389141	440648	329839	440182	362416	533441	621561	568863	415630	493794	559543	516644	476747	467222	672678	388839	483091	611106	581199	405324	522085	346468	453817	457994	491036	515509	571162	464840	473649	401419	411248	498796	481675	362217	429096	567299	434312	392391	407110	440787	505542	526262	395628	596186	575782	663378	510181	546091	431291	698113	483915	580389	597046	384466	470838	499267	458998	337992	661329	511195
indole-3-carboxylate	243487	61470	70786	56078	65661	242342	65923	68899	153732	91261	98112	60125	54379	74072	205601	129090	115738	98759	86478	36001	71528	145441	190198	49590	64106	218561	55866	502523	55596	134980	158579	71554	72584	46214	97876	64083	60547	65057	80036	144229	51845	116026	72399	65163	31343	80010	111355	56506	50922	75473	40020	145899	243191	269606	67228	70430	83795	107608	381245	76310	76507	82093	99414	80305	40570	58590	70933	312712	249051	249002	67259	102413	48786	72687	194827	48695	44675	49781	275313	64398	180661	276208	238364	116088	107160	103141	52198	78653	64789	58041	67862	89552	141681	48797	157442	39508	60548	56606	59073	135302	64525	63163	74921		130566	109605
indoleacetate	4766776	1356928	2354775	3543379	1588028	8340331	3118750	3133856	10190245	6344433	3303335	2289307	977603	1732900	8998851	13564944	6983698	5031721	5210842	851958	2243606	2550352	7696959	1899097	1229253	9272390	1321809	6977688	5603702	3063083	9331854	4030201	5989276	1364288	7164006	4047456	6064298	11015733	7859182	7899365	1951467	3450469	2459803	13569761	1344129	5651068	2868964	712924	2227117	3475760	765789	4042755	12733085	4087703	2589223	2827256	12306851	17832152	4453833	3529944	7448794	2022582	9323918	8457873	1882095	2321253	4915926	3301155	13251694	8165321	3360168	4084207	3169991	5743230	5082187	2436229	1067498	5757319	3925988	1753558	4200308	9924366	2366407	3213242	3684172	2388533	1672186	5919546	3909172	7834041	10847422	10865482	14932751	3852303	3576949	3470574	1329825	5540577	9828511	6828509	5107460	3524810	18042750	1699371	3666419	2877669
indolelactate	5528311	5029021	9772624	7106020	6439470	13192591	8100387	3283197	5109586	6380811	9566240	10297007	3280764	6477167	5967481	4230471	5821428	6933441	5956345	7226313	5001549	4036429	5618396	6750918	4292041	5730371	7597360	5809480	13009514	5481952	8295134	6027524	6955489	6698221	5275187	4549625	5209670	5922281	8142862	5548923	3726942	5743708	7182184	8074058	4424387	7811640	5991000	7699305	8805268	2651711	5878652	5190668	5293674	11975345	5065810	7865116	5353988	6056736	9006895	5623882	3990851	6924713	6164691	4963248	7643447	6861022	7522319	3531006	6429303	4526302	5939623	12016015	6348662	4852448	6833377	11027045	6015380	6346567	4989789	6682328	4936356	7750642	4946325	5572975	5131765	8304139	7090774	5862514	9341855	5055294	6515828	8163869	4960986	6691412	4780608	11885868	5251363	6364819	6105724	6220867	5781998	7965862	3872459	5776124	6831750	8300914
indolepropionate	2800113	25474534	38547552	52380624	26627564	19128330	23366924	19655338	13918372	30940124	15215014	4392030	23501992	7778417	15002185	2552335	7137159	16174365	21733272	18484952	9549867	4509345	6744105	18423800	30907660	4428059	22443696	6302974	4144403	1162232	7152059	12136219	8683963	1824535	12796962	11875382	33490718	23250642	6239360	5199269	19916088	26966598	10388006	4568511	2158558	1649065	13531261	12580476	22577078	29924040	10107985	24617746	4706953	1404226	15128237	23433516	32505886	2615378	3711823	2865143	4415140	15624970	7921327	8414282	17977116	11582704	11917068	2466731	5224280	8707647	6788843	29465528	12363065	7833293	10112618	5431811	9497068	4634243	3535878	8622515	1383260	7622176	1504541	10682895	15156707	3591752	4504497	2616329	38441924	38343720	17687884	1583202	14978136	21584678	6656271	17610460	30858458	2167452	2985485	10348113	13132326	9381417	8932544	2323254	4545135	5288215
indolepropionylglycine	52962	318145	357789	362714	378202	211146	421419	150792	156799	312527	248224	70785	319770	288425	140046	42103	110313	454726	373371	374595	409328	73200	62568	272963	861956	46438	208645	92602	88114	19736	142510	189189	225690	49528	214159	177465	536215	262824	291853	113628	540086	371764	232575	85439	34776	33574	242603	176045	471431	389943	151915	501200	46631		115267	137096	105173			51937	68779	238414	85030	126562	255307	165052	302016	22342	41884	125965	218701	509232	171573	323718	205655	76642	334594	104844	41682	30369	23758	85408	29353	210032	180084	122753	77421	65207	769486	644586	205056	59163	239220	405378	56055	247345	412614	35861	61574	196524	210215	154323	91111		147716	77601
kynurenate	295148	175212	506416	224116	565816	482127	401017	171673	250300	375172	790226	600590	281126	953536	230638	251973	419323	461487	280363	402417	637784	227223	226305	451712	343056	252046	350864	360731	411034	331090	534825	430321	257528	430122	240077	287258	363993	503848	413493	357394	247330	198945	985833	661049	484313	886355	218505	521408	317852	468489	280772	232921	605374	697940	383538	413468	460727	400833	425381	401592	181709	360404	372588	446322	436600	366408	448624	200474	248827	161119	406905	426808	298473	404552	297759	301799	486782	295937	300414	569533	415995	243472	313276	371302	240323	292675	560534	512478	429765	325086	368886	705352	259287	438056	177822	615816	303174	453220	305016	315585	399857	381270	180949	250091	366104	337452
N-formylanthranilic acid		137489	127199	87526		77594	157461	139545	115264	102121	281734	319906	111563	107135	721035	274753	180127	169621	151436	62346	141572	111037	184350	92175	185811	90451	209296	213433	167006	95735		227444	119338	101076	116468	167487	152894	1845832	266441	129520	138462	69039	119963	91972	192283	133152	149099	144449	320067	136622	82773		448263	248716	393492			136326	190928	134529	76514	181326	94521	163628	246968	164943		1173980		128302	249376	97131	74918	73477	122135	215472	142742	148576	207458	216122	430360	263781	153920		175269	163902	122910	178784	109681		1777166	150607	95078	112937	76399	159323		111987	104460	215414	89207	290815	128983		87811	197535
1-carboxyethyltyrosine	87680	80197		59003		61278	93928	68566	43956	49668	114840	75084	54957	51765	105502		111018	55306	47682	41705		60887	97583	49647		109687	46383	26263	93574	40043	42641	43537	68563	53780	63982		42309	84264	105294	105415		86841	35631	56122	65711		60045	61776	62319	35387	37640	111774	72537	196693	81287		52077	95348	18106	48393	113854	33911	45896	51134	65403	79700	66165	82201	82508	83811	51996	66875	105477	36395	70631	78526		49448	113844	75651	31064	133982	29924		49290	83995	81911	45392	63409	82344	69783	77230	76391	69687	178110	92860	81037	63087	139504	73659	62474	48258	75026	44028	102666	63659
3-(4-hydroxyphenyl)lactate	8478142	7764570	10377050	11037049	8858277	15233008	10710025	9663761	8343481	8548222	16384505	14774024	9816337	8951683	10806663	11107103	12016768	11835843	10763178	9963370	11535004	11055874	8315026	11210606	6170276	12870684	8003047	12251041	11935995	11154182	10184416	7954278	9867069	9757991	8387390	8292928	9661888	8990149	17698156	9568845	6849036	14295770	9629557	13341178	10215231	15673676	7130612	10484137	6714471	9407415	8662432	8658200	17198858	16114439	10632302	12485608	11878898	9078134	13332842	9228247	10400394	10352986	9399777	9674250	10032362	10199883	10251964	6242906	14869764	10261193	11895232	15959425	12470030	11184545	13242600	12964794	8342005	9415472	10598717	11047570	9958075	18878676	10078843	7620122	7511545	10061281	10966453	8964159	17094542	12700340	9254183	18192592	12315374	11912299	14784740	13713257	12982226	11432178	20851764	8761268	11880223	8553272	12827777	9686684	8199526	17690038
3-methoxytyramine sulfate	47671	25857	52508	35150	31633	49611	66025	59745	83912	64026	104584	86736	52662	38723	75004	85450	44857	55261	49577	66511	37159	47030	40013	64686	36289	43497	43868	62399	72899	49089	61953	42150	53179	42133	51377	23193		53509	50686	26863	59531	54951	59971	81244	55354	54424	61171	71023	47279	57212	51697	57764	86842	52475	29605	43358	35344	79006	36094	65522	68936	80476	59444	56239	66231		33184	70437	45011	66903	74581	52846	61407	34590	42994	49403		57579	59586	52481	54617	111862	59965	46889	56674	36018	34831	36015	22926		58922	46397	37290	63148	70035		45910	49680	93667	93413	59160	47925	57166	48686	74176	74185
4-hydroxyphenylpyruvate	539816	349922	274048	403588	471314	257135	333312	273602	476104	399812	749519	729312	396931	363017	615355	465930	845595	523475	405556	349404	299385	523848	415087	372242	228123	829207	119983	432463	656032	372982	473825	461619	641146	400653	315359	192875	522484	675003	693730	466921	302829	653763	255583	522788	623536	398792	435394	462075	397772	272309		474577	532859	687300	605225	511651	328317	551575	262463	393054	774868	393899	279267	196093	389590	625773	604701	396766	573386	655709	656242	665439	444972	367322	302567	330156	347121	220513	933278	127545	329177	1096461	241077		371277	615771	489243	385301	717735	323261	389393	480423	519406	517071	626545	289572	534502	224799	942494	431922	436714	419977	674826		414615	637659
dopamine 3-O-sulfate	547304	248668	458642	341191	415635	536511	568302	371793	599673	459976	814037	673240	392467	580101	854228	452084	443555	598632	375794	514295	377541	489006	338095	350610	869633	657066	416604	414199	765000	758327	886211	516039	1001023	513952	531868	344218	256767	565357	553619	369261	589828	630613	343128	728992	505714	619824	571710	568910	635141	553131	640958	830278	502494	731113	352823	535366	254389	4224887	312758	445221	400017	542605	370496	629821	535249	275053	364256	466071	523695	418866	633914	463624	503846	300962	528555	468343	502668	367436	446464	365815	445525	705939	589357	562420	362185	523383	584372	499848	234946	284882	469643	483601	392052	825525	618347	412536	586657	363449	767952	603011	652117	343160	693542	646586	716107	537753
dopamine 4-sulfate	168776		72949	65796		149225	117239	49369	147461	111609	237905	174920	106908	113366	231707	107365	93121	175128	96015	83590		203739	81688		205146	157182	40182	127152	185135	210283	195679	139332	341687	104549	131786	70681		113483	447891	153245	186327	132329		513456	106003	186694	157623	127940	133030	118529	84832	184635	196527	203394	173533	99701		1144666	58730		68906	186871	103955	224879	121264	46723		112568	128075	113711	171167		100207		80874	91466			115025		81292	212640	138332	171820	49015	109712	170825	132158			96225	124608	184789	227444	195818		1338576		204658	158019	101551		132329	139514	201584	182585
homovanillate (HVA)	88654	73213	76564		72016	90952	142049	329056	72328	74695	158399	158405	99850	86512	122555	49415	74511	55561	99227	83341	54392		73288	92223	52710	70008	72598	123800	111981	63630	50444		72076	76652	77148	74401		93090	68373	68345	75735	79208	66762	62037	52593	94681	55628		157381	86490		95884	297036	92424	91924	83622	87717	101916	73527	82668	160353		67001	114582	172322	77987	70799	67558		97818		68928		69340	74043	60898	73108	80872				113403	45193			99436	71314	54481		97583	68327	50886	92300	59509	95993		77963	86131	91285	46494	132580	64345		52816		109633
N-acetyltyrosine	91470	121269	177547	151982	163578	90952	82272	120964	110859	114589	124855	134745	116173	138716	141310	139997	216822	134003	122136	112404	81043	116532	108346	160226	98593	240438	158535	176463	185387	73656	236295	158555	152058	165926	203863	211811		177113	170856	86208	116487	133432	104385	155205	126999	106579	133272	153726	106997	115218	162445	250609	67301	157639	138042	147917	91718	111615	71575	82740	136976	107869	132957	89003	70821	138112	140742	68538	149125	203028	206157	171718	122994	91742	133174	146252	129359	176622	324884	101453	105261	167131	62813	155378	131201	148129	273677	189042	292687	115033	111845	160793	101596	117272	145204	107720	179736	135915	177159	152377	212428	107394	195243	125711	137135	155796
N-formylphenylalanine	108995	116233	135183	70815	92557		118592	92787	70254	140037	139849	216286	143645	199964	125660	116879		91693	169818	141882	76060	150155	273067	133830	150079	106085	170233	62599	141139	78408	202028	87096	173805			138008	127492	136534	74146	128314	187470	181669	124099	131323	98568		102462	55116	135902	76008	185026			162361	173193	242021		194360		118838			134275	122232	168617	97422	105658	82524	74082	63779		220233	141401	122881	240459	472695		112053	160471	270423		180527		81479	160012	166140	112462		172745	158861	125337	77454		221610	100673	115211	272970	191777		219085	221974	145625	115974			156194
p-cresol glucuronide*	284472	241626	1581028	153162	1132333	297297	140242	215460	735288	257419	1994770		527308	329018	2672423	3700336	378299	373160	892680	25849	899296	1731086	422508	89868	529405	434169	809654	3144916	258958	1361296	1273301	618207	276107	681303	701948	204613	739496	133807	494212	492504	239560	574302	267566	37411	797655	876321	572285	333246	724168	518994	91993	644301	914136	1472772	247304	446789	124683	854608	238944	356856	179426	155280	136828	51205		345409	362463	5065667	1878148	911825	86842	379681	124135	124974	694220	103876		38098	1193140	2189244	1108881	1555931	2246307	236881	254111	86746	768836	362535		423185	173508	435162	511659	46894	939423	326973	64846	80140	180635	349324	74120	435805	971611		619467	2581672
phenol glucuronide	55998	64693	85573	46380		59268	53743	362227	41874	99530	474900	106767	116369	39377			64139	56710	82266	27024		75546		64022	73677	37149	47774	514752	42324	58601	59730	45660	42822	118119	37587	42062	91757	35165	161494	94114	50508	42693	35194	32575	54880					59268	59843	78132	89283				53409		33267	49189	330150			58037	61859	76273	80352			48432		33977	49945		94501			100656	62244			70579	147905			40015	49603	75674		56404		103356	103450		71483		20841		43755		31275	42186	29098	59268		59032
phenol sulfate	82317368	89101160	164531136	97234888	48514408	177494160	135335824	184286496	64963344	134481824	235680656	160466608	115869000	81364016	126755464	70393048	96559264	97308616	122531456	73541104	52520900	76235928	42578336	76028200	87455704	76859448	93376896	234617312	102461128	46709068	166696032	107142184	113125288	106372768	98776128	86811560	123576120	90692208	142136288	108421712	79485144	85202096	55339520	75946816	55468148	42716304	62226936	56154568	127691440	95563488	291162464	181572768	65234352	50652740	76416976	118705592	127289184	78389040	100995376	75207584	209757088	45107776	60160976	83871584	60755428	103160744	132688568	134089544	76180424	71484160	67738560	86574944	101563672	57710468	95072864	35434456	90627656	94881816	95378136	39735304	57502632	88478560	92809320	91257008	95333696	113459696	88556880	81332072	99360912	117968640	93251080	111922104	161456896	57316940	62410272	55977024	53726420	70420296	74129560	69159520	72853200	112175296	141061392	278325440	62270368	126120448
thyroxine	711376	674410	832221	636921	825513	371261	718204	727016	1113131	591599	533838	929861	984749	460371	910666	752477	661997	742840	588480	768705	702415	760078	719485	865671	628365	541756	843241	928826	859695	658628	713388	725484	556040	615166	745801	670114	592095	860837	692127	610623	851351	963771	640376	829939	508929	479073	754570	901606	536634	651888	806405	840914	924701	557394	583751	670072	728187	778996	377173	695666	658048	1020857	591764	883138	1038762	850959	496832	748467	688889	713287	719228	667909	836701	911629	669867	614660	704483	870051	480005	651789	908830	995981	648228	743272	770426	759162	642331	783257	627001	658760	716293	725851	631290	969158	894192	745970	855199	764043	563472	747717	652220	565549	554694	817816	1093812	849476
tyramine O-sulfate	909057	451689	787220	186377	576083	141333	200498	197797	79189	436024	531863	649008	373865	38571	561176	33351	97504	54685	45814	102394	38219	88753	1498809	67691	42877	57530	138693	28503	1550594	99213	298551	151050	1299252	158039	162510	71982	129721	135156	272227	120320	963750	190209	61227	230419	103699	98655	74078	815140	661951	28440	58649	153922	174230	126089	427159	468892	72919	211200	187122	62971	362319	76004		71307	73770	164942	198981	105199	126089	119587	130032	88413	119295	48014	110378	89313		49482	170630	162561	54527	450457	309917	252670	195695	170431	465616	246643	106079	339695	260802	268125	130928	2680505	246805	137284	351043	116149	446065	119221	112209	219222	236990	132517	2158657	231752
vanillactate	183784	97070	118953	84447	125645	123316	188435	160163	138225	128955	298994	280033	136603	126513	148877	112959	77231	137494	133964	176053	126180	158667	129160	112209	128748	119283	80599	116128	89827	115397	159082	156523	107337	104630	107484	86952	91200	111173	240355	127867	105745	115615	118067	177204	121052	213501	132105	117449	145192	168212	135162	136513	246078	174383	160603	152045	168712	148924	123998	186183	132681	86553	103165	167263	188728	105080	95589	111829	129900	103682	123265	179136	139071	112628	150245	94909	105601	109751	138905	145060	130640	312319	122784	133384	128193	118664	146612	118122	160306	76147	124926	210405	181344	156907	144485	160824	113520	160448	253554	130995	115852	94642	197045	195591	192149	233561
vanillylmandelate (VMA)	745893	445400	543437	387569	457733	461153	483401	660232	363340	496704	831451	512988	461168	555020	511075	393679	311981	410444	543314	363326	410939	455099	344725	376674	304886	509298	221556	382944	298319	302310	425709	450377	327531	395248	454953	290351	433662	424764	600477	381109	426415	355395	384676	368337	297449	314307	320281	358799	436418	343976	210471	700845	697148	642197	488928	444393	450817	460262	343493	446580	466943	361963	422887	506158	488781	395078	590695	394208	432266	373714	375661	583666	416352	462170	366047	333145	377929	292947	539440	345294	297581	509130	245441	402069	356808	661570	463392	386986	245685	389040	411524	433916	405536	389505	343424	598819	264229	453547	391294	336206	373535	389070	332712	261078	388469	662610
N-delta-acetylornithine	4924805	5741263	3244327	1206656	2724738	2331475	3610750	3328291	7087460	4508189	12584050	6210867	5320989	878192	3345451	2175007	1340127	2982313	1492295	4584147	947793	6412591	5192414	428588	1638367	644615	633702	276174	1328351	624579	1522923	1150439	1860649	448260	959074	686710	1921216	1459653	2880074	1863747	1294890	3106122	1940579	2308357	1343162	1439992	814939	2661207	4414513	1937432	729900	1508985	3095785	1645382	10147170	7433322	948007	803496	1270038	2451019	1484387	3276829	973068	3291204	5289884	1396678	1422327	2434484	1780231	745968	2244070	11722454	3213714	919697	1924363	2362143	3308513	276714	838474	1468045	357307	10227679	290488	1541660	825622	1895047	602643	1050752	7564669	1716785	1303086	2604114	2737623	6970063	2585263	7982301	4382235	1994540	6141452	1050538	1184023	1027400	1713520	403311	5927388	7469513
N2,N5-diacetylornithine	305997	131842	179157	116377	175341	105517	124458	250373	215042	233185	271246	223292	228643	131724	107027	51504	131100	138042	133996	252174	135039	255381	177312	103120	131622	99420	87540	111435	154447	90597	112208	103415	97190	94669	169315	156988	92586	154830	196762	76530	126386	106890	101352	223468	120849	169193	123341	164176	200982	161893	84514	249221	106292	155191	169221	242732	117400	60903	79815	118539	190573	126232	116162	71869	202776	138512	203844	88553	67160	171375	185929	499820	149150	114736	206526	112465	227349	83541	110236	327721	137507	416351	68166	97118	109707	101142	74360	202265	885910	86034	173113	244735	116480	266380	74890	250903	289860	326477	295816	114567	119648	111070	215707		549306	291202
1,5-anhydroglucitol (1,5-AG)	134424032	135396432	218724464	167665248	133047392	132833720	94369984	132785200	62510148	131239408	241382960	169209888	161688944	217237840	198803680	77253536	157755744	166627872	104581968	79377616	194025632	147442816	121200024	112412696	141159696	173851104	107354920	165118336	168234032	245940480	98229800	139361776	222667168	158984752	102910368	159257344	193694928	96554176	153453072	177990768	120255472	85422632	271635328	131262112	185994032	293086656	142456816	151912672	160917568	99424392	144642016	100628448	228190272	116043456	136246064	227488240	154558544	132534800	114702304	91146760	136207952	69870120	117117728	133879792	147768864	151037504	280685824	165652560	122384448	144168336	153622656	125824520	81833288	218906032	157340320	127155104	202360240	105202784	167590160	152327664	141139392	167904016	249662080	113502440	135476144	255674288	172691712	103623776	167184336	159870304	107157616	119910704	152967120	161167840	77405760	256468672	143456368	246653104	243621664	165294176	151592992	168080176	162264016	148878896	109754880	164339744
oxalate (ethanedioate)	52146748	55366324	74625880	56920468	79638944	67087320	57863440	58095288	38529428	72424560	80725704	71929504	68044712	64470828	61338064	55381436	57440796	60192304	44124348	58417028	61066444	46330316	43195396	23448298	41187088	20872924	39818316	44292972	17737732	20210922	59019752	50585380	39545020	16115002	42775928	53054088	22578474	32601406	14991173	18837638	46992696	14368208	17031504	18017670	19622542	15361304	21869712	37961524	70760384	76548744	28312926	17355124	11188279	10854833	52848560	70179128	17607922	33011950	55851512	27535862	23115028	12226793	44411304	13132497	32691868	20765104	8759854	11055153	18095092	16541819	15102588	13101081	16296885	20529238	12925421	20568000	59429556	13447716	13814858	31223844	24883156	7995959	13029351	43243680	27227460	17808982	12881271	43496940	20150760	8870532	13234486	9427103	10768548	13619387	8432633	12328350	9456130	17604020	11249771	25046546	10401062	31850998	12952871	28042012	12503682	7637452
pantothenate	4831698	4269225	5239171	3504301	6958859	6471525	7570627	6487845	4586120	7522322	8616729	7269038	6759533	7000353	5334344	3184046	5018866	8141247	3563079	6450627	4689372	6089558	6615293	3803139	4962765	3993325	5173038	5680581	3659856	4306159	5884452	7313929	5240690	3643392	3783938	4595855	5439110	4270782	6068832	4286366	3648745	4251518	4652046	4860193	3373579	2670271	4541708	5854039	6052314	5475996	3644807	4101196	3090336	3552282	2869231	5097474	3751148	3764916	4156406	5242735	5456983	3256902	5867058	4084932	5672320	4434531	4631272	4189339	3420336	5210367	5204522	4156512	5078856	3334796	4095705	4960637	4445570	3878222	4142909	4719226	4378706	4975613	4270489	4806754	6093668	5262766	4914236	4296208	5253203	4110108	4718743	5295349	3257073	4154755	4525229	4916259	4000397	5074733	3642195	4326419	3490983	4584936	4476203	4034856	4810783	3443568
gamma-CEHC	776746	982442	960178	627372	829985	2070478	1857803	1591560	682012	786681	1382184	1839214	1490914	578252	860060	419214	1041348	1051465	2437540	328135	573615	1276152	570947	591690	678893	1008678	835028	997437	942235	603132	1050955	983934	772012	456002	885269	854362	656784	485319	1067555	403565	734235	935390	376649	342291	419680	750652	1154094	832314	775213	696372	522174	1242782	869192	718679	1659001	1072371	534462	640941	280548	552093	757693	1289582	455033	749371	829088	617588	945427	968763	471968	407915	786223	1407962	987428	668059	1206378	716852	361542	388951	390950	1144497	436195	1067780	536546	998965	818975	969813	916399	723107	3295660	974579	358822	855151	1155072	1959941	837188	801552	446849	718255	881442	873483	1008725	400621	1232626	452425	1217232	834498
pyridoxate	1652256	2131572	4070310	1714830	2747189	3039629	3050795	3386160	1285202	2873773	2885608	2549421	3798920	1955819	2765092	1971530	1539054	2503015	2601869	1516279	2477101	3401855	1118726	1208232	2437800	2155691	1714554	1933248	1504481	850955	2848829	2286943	2126301	1001578	2496104	2151005	3485405	2151491	3556946	2181197	1960486	2593549	1307229	2140701	1173095	2047070	1806689	1600968	4356102	2215868	635377	2437273	2178924	1839906	2665343	3012796	1923327	1860147	1427728	1271008	1514146	1147362	1701551	2267132	1998293	2815210	2037411	2893185	1092171	1010846	1371186	1435844	2750369	1850358	2146577	1227566	2354605	946558	1439114	1463488	1265105	3603405	506901	3083906	3807759	1896116	1427523	2698073	2401365	3271125	1897813	3886427	3100044	1971033	2157866	2350480	1625989	2241439	3198875	2204583	2266023	1700216	3957432	913220	2123000	2659313
2-methylcitrate/homocitrate	1300011	891476	941350	1000933		968328	1156934	952055	660944	1168715	1333785	1147108	1079733	906641	806514	945584	689476	891453	1083785	1037022	684704	1041898	948604	896420	1031462	814122	994987	1129432	624001	621299	1110573	1055995	1054360	862743	1227091	780383	756110	869763	1213444	849496	925754	832280	714728	911807	928517	1104238	786247	865218	1067747	754852	773163	1328901	1254307	970910	957028	1063416	1127332	728980	735532	1059321	1062233	731259	875500	914542	1128977	996780	1127758	707763	758234	956894	913763	1273899	795292	612395	851894	655912	860218	689177	908445	1235161	792415	1562072	507977	799303	1038739	813881	812031	1146065	1272240	613678	836888	1236128	1065788	1136082	828790	939747	1102710	764747	1167419	652907	824101	959315	934096	693513	1271062	1158461
aconitate [cis or trans]	17590092	17197790	22349898	15366869	18182452	20358408	24760256	14422903	15494826	20062532	19460310	17666036	19461562	20893422	21498778	13833284	23896922	18674166	17878332	16166818	24272888	17367008	14926452	17770128	16770080	21325958	17548154	18219342	16984584	22760046	20913568	21504048	18814370	15921221	14387983	21596518	21311998	24216584	23108242	14961148	19405830	17448102	15680956	22056354	19393084	17457088	20228482	18588084	19523854	29097372	15962344	17064750	26913250	25170760	19176524	24241252	20836124	24166066	25231916	20674254	13607020	21374970	25989454	18757480	19460754	22836626	19405442	19025008	20096414	22215636	16126519	23247858	18892966	22710106	18213466	11324201	16727214	15742243	21744368	17375564	25439270	26458220	22213794	15422272	15727167	17455162	22715632	15629726	27086532	23649020	28355632	23295612	24518138	25219682	18796306	23705968	17570098	23414196	19947760	25960234	20124336	23560206	19086008	19410692	20140650	17383232
malate	46750388	39065912	41864064	30675484	27567158	39976024	53816720	42287944	37838448	45952464	40046160	47095728	46527812	43127860	56672084	34321008	29859012	27081592	29668040	37926492	54666420	41240532	51173620	51789572	27927980	59138020	30733212	43384236	35009508	41475240	39214688	31021198	32369470	27698234	25411818	39684268	39224060	51249084	44456564	32433942	35401144	42877384	45722676	48052520	44816684	52343684	45887748	33688576	40435844	36645940	40342100	32708704	49804884	62312984	38201488	49394476	58412296	51344572	47178828	62384528	54060600	44490068	60137628	46857648	47354304	45555244	47725944	56296480	51573140	41264232	32691392	48695292	41927732	79919816	55513880	48086212	29940048	64422160	50620640	48639652	47830372	55311496	50690848	41885888	37849548	43346904	43836096	39762480	53184480	49680764	53650584	47231308	41389124	62216612	44402344	40723772	47207828	65505524	50728780	44041576	39662480	52039524	38078192	48624492	51256888	33466402
16a-hydroxy DHEA 3-sulfate	753866	4222481	3405022	1720483	2039089	7784670	477226	438301	808112	394000	3015333	772187	4816159	2485892	2723103	367175	372551	1359064	155369	50847	5914926	9663353	674801	215356	2433880	2041433	311276	3603025	248947	1993333	418521	769453	157466	49153	410590	2018722	3517625	790703	2231759	1295895	1447941	226074	204370	3929069	5958890	2084667	136230	179976	1707917	528394	65509	586863	231988	1022156	4693863	3507324	2507055	1940796	7551975	545464	321964	661602	553927	1109417	703831	2833147	2920529	2031262	559011	320486	1025737	252695	59028	6696572	8053732	402492	1812158	158041	2012597	365048	3108616	241679	2586654	462279	1255603	334820	63121	549594	2149435	3511244	704840	2269158	1070197	1465734	274829	107136	3368144	4089963	4349329	128589	158910	4053158	380052	63258	824053	201424
androstenediol (3alpha, 17alpha) monosulfate (3)	163239	213925	137885	248604	68437	508977	340501			183618	130409	425290	67882	121959	48252	233866	163944	309154	99002	38545	420510	109504	87230		357466	92912	59886	1383007	115456	793367	274034	321978	52388	102271	240803	851919	129201	98498	92685	121234	40129	36369	97142	143677	482008	355915	72727	165170	109225	140193	85060	85227	153465	185349	245619		293743		417106	226784		16310	273919	195649	399960	125884	99283	47990	187131	71769	102551	66998		600051	110344	165428	546776	25252	67661	56890	1402965	37204	563063	288266	275095	52187	78135	310490	783861	110017	130572	149346	190161	29504	25369	129679	57768	506918	79093	96766	90946	204758	136060	59792	69837	66778
androstenediol (3beta,17beta) disulfate (1)	2279297	2662645	2539133	4594688	2064173	9605188	1296642	333501	75876	1012928	4532512	5763095	1329051	1405497	801106	1727447	622408	3191337	434046	52460	5187490	3593165	2469700	113997	8661747	871997	287301	24397472	267013	7998379	1605366	1888267	418083	178853	2789308	16789944	1565750	620893	1158764	1338442	404354	102413	527797	1938050	7342769	4162507	170087	870380	2640859	347384	54550	982468	380978	1955053	2340989	2195024	5860220	1660862	8080498	1057457	149414	79224	968572	1478467	4102505	725390	958650	835109	921843	308190	1350229	708078	15533	4759711	2282700	2044450	7387380	100841	1155902	493185	16191890	230932	8501824	1875239	2040671	682873	209407	2660619	13976839	1773146	633914	2187990	893255	462393	199739	732059	1805055	7945790	1926868	102185	562382	4156771	419729	105416	1303739	264305
androstenediol (3beta,17beta) disulfate (2)	965872	3055835	2088534	1888611	1527644	7693814	1065670	508749	353540	776558	1975160	1287677	2751887	1824729	1172625	427658	330820	1552587	466342	181144	5463198	4734541	630518	415351	2362831	1163507	350195	5397993	468605	2607628	593425	1054564	185353	153531	1069338	5761976	1236142	907944	1667687	1172981	1014588	276353	216597	3213378	4083274	1432031	282397	348691	702426	695914	94504	617408	486444	927594	3479715	1920533	2421941	1095045	6281887	899199	371967	414642	872199	1137035	907870	1781512	1509868	1010967	422602	262951	622780	509636	175544	5774409	3577931	277427	1477338	296536	1107298	499225	5550741	271226	2817827	617521	1285034	310600	231592	1156748	5618227	1263169	848831	1715995	975227	963777	361565	147909	2514056	3830918	2136016	310798	311859	2381734	461599	171489	668377	227461
androsterone sulfate	419784	505038	207361	2300318	472366	1800546	653326	37727		594654	460898	3036768	164108	624005	158047	540306	305902	1105852	304464	69926	1381031	344070	206660	41518	1507186	361306	36077	6320474	151440	3433734	433014	455542	65828	114588	235498	12330553	486761	337836	293573	426237	155009	23762	289276	477409	1161818	1138954	269735	622540	702920	275545	67464	97676	361499	375299	711941	84991	2425155	273031	1353102	512971		93132	820425	736060	3095381	288921	490537	126879	359404	154610	372798	249978	35787	2348000	329415	555056	3272634	32032	259805	55748	7442007	81535	2126031	617611	407012	75187	59017	242938	11423479	567320	367337	496061	881858	124258	47119	483019	206209	1389631	404733	263825	482291	1219915	263470	101830	126186	128288
dehydroepiandrosterone sulfate (DHEA-S)	2465424	4378898	4035047	9330966	4001417	12200500	1562576	193542	355352	2198823	4404660	7216944	3311132	4262560	3002308	2799099	1705549	5588034	1829943	135060	13380607	5461389	1590006	260538	11355276	4163825	367595	38097976	820214	16233407	2338571	2981826	479361	365009	2017451	40640304	5142171	2620652	3816834	2568369	1460992	224059	1235299	5732070	11833390	7857634	679437	1636405	10251095	1356347	243758	867937	805027	1789901	5051420	1517724	9760547	2830392	10416522	1332193	89944	746971	2889158	3041049	6525566	4064330	2702911	2426007	2682174	1543164	2150357	1813756	98160	16137453	5108531	2226656	11914005	239245	3110871	391923	40967408	290440	14417914	2634669	2611801	483487	355859	1944745	42039764	3254970	2492129	4542606	3599561	964592	127282	1621075	2409940	11848368	3675902	518695	1128138	13528054	1002596	377418	1267088	399770
corticosterone	294033		73304	32698	69312	128163	150164	187445	81853	181951	106520	275215	796041	454315	45545	219847	81366	94448	63736	221999	96389	105507		281552	52592	24205	214452	53785	200151			52049		61769		27085		33775	179495		45470	68760		223971	29415		27592	470284		137041	185212	22152	756831	134752			75863			162987		183067	109243			555894	123284	175206		42148	39329	38080	34161	35982				268571			49659	14941	92638		41717		71308		172843		170112	160107					221105				88368	43679	232989	78667	52581	37498
cortisol	3454117	706150	1540287	1319011	1896223	2200040	2362559	1995863	1782066	2274625	1733616	2603167	3130712	2113812	1545491	2046614	1349135	2236363	1384304	2556929	1308146	1904887	1400136	2548536	877992	1152266	1720437	908605	1910020	535698	723920	803098	412154	1056298	627218	626605	569727	929390	1761901	807872	1354225	1411539	784296	1488089	974282	945371	1343633	3676552	1079690	2112773	1912089	1327639	4003483	2855632	646470	780777	1580749	804487	915659	2602869	730318	2278500	1474172	1049316	857797	2753840	1520045	1848433	957304	1150954	1230245	957196	1890925	802965	787354	878576	1039034	1513946	915241	525131	905543	960701	1130474	603439	910426	512831	1111778	792877	1127554	618947	1439216	1501247	835636	836919	719255	1176333	1725580	803069	1312364	723063	1802866	1188167	2405501	1748342	1403975	1655526
cortisone	664161	291093	439043	568662	660692	606469	525770	456664	295309	513126	490174	602489	565679	457290	321861	382286	566261	666124	439220	474823	478878	376714	343182	620624	244563	326679	328199	527120	317980	368864	227922	302854	139972	394117	235416	335783	210609	212277	403429	311929	441730	292001	406041	363315	297751	308644	351898	707743	280055	577568	363722	371319	634942	628589	212267	249135	358449	297790	307494	428994	200490	523826	459214	333744	285990	579036	466148	237964	313893	361382	287510	300194	458100	252775	273102	244700	328952	309638	198266	137149	380905	209420	315908	141087	269890	166175	277217	237741	425470	318299	283595	289776	328208	205263	199724	440807	248398	271033	293240	251745	437064	374361	458140	495651	325026	400779
tetrahydrocortisol sulfate (1)	120927	83136	81926	83745	233267	215101	199101	105243	93163	161907	158853	140950	109555	95880	74559		33813	94536	34484	100800	68037	91046	103294	231311	20154	71380	61891	65367	80961	99824	41312	66704	70161	59346	51027	34218	42505	89155	71945	33218	30594	44625		54584	61852	54998	49190	68389		87267		92316	400352	126076	79077	48679	111358	108882	122424	190822	66802	156968	123360	88445	69361	63627	52038	84509			18376	20473	59919	61152	35774	39401		104976	70278	55612	72754	128602	79037		40005	82669	43223	41211	40565		121312	83374	24023	37615	42024		51979	49559	55023	48706	31267	32797		53482	74985	162305
14-HDoHE/17-HDoHE	267019	187414	187050	185122	113268	1100514	843940	610164	536601	1829923	1224429	800906	862564	625228	286457	449321	728580	793052	194034	831875	1824278	704903	932534	496578	759254	510798	892354	1751361	875545	684226	226218	468431	125862	527173	454030	1756391	1309176	352290	68296	214868	424280	290251	1001384	1883777	832270	785893	1809063	1085486	476287	259380	1954235	353330	667825	1157687	267462	962418	1078927	2440144	1117894	1524917	1861580	1085482	3228408	1664805	1379719	795463	1068225	490155	1360753	1244255	1070491	609516	280135	1110653	619083	530350	310564	2616893	765783	3107687	3487096	1156870	2075252	1574992	1121111	1229697	3093447	3712898	1614475	2735048	851210	674152	502549	2126978	677324	652742	907019	1480624	919027	1265417	406333	1210703	860983	5640931	2304241	363616
12-HETE	14946867	4113984	15650649	15999972	8294737	26363224	25024236	31995118	29587274	76724216	56859236	38584096	31352364	18746912	4875931	16902386	19980780	20567032	13017063	13596610	31001960	31826676	40433908	9038069	12117067	34461076	23802586	62015544	37503176	16470997	19936012	17635176	10243477	10710351	21266214	48120044	58603620	15824826	7525710	13807898	8148476	31432696	25174050	28739364	13077954	41655332	52239996	34476732	11737692	5446878	50104564	22758778	23665016	22333470	15728499	26539394	62611668	118615888	31429852	39331232	89545360	34532776	70976624	55834748	30938572	20467032	49407040	5453141	62069900	38936140	52144344	35767636	6653351	51200736	28548078	20381086	25571646	26601484	40042076	28170502	98662320	40197680	33054024	42040428	39103724	45433544	54364020	104953680	64518984	101258200	25747816	40106008	17746922	25733414	31940868	30791130	20905190	33263526	52191480	38881540	8072015	14432664	26339942	55543168	78857480	27963920
12-HHTrE	5736749	1354864	3210752	7454974	2069589	7880835	6732702	4101768	4230616	14804530	10333289	15259186	11422038	3608860	3066349	4006852	5769656	3894981	7144413	5210230	5317047	13415176	3668122	2959078	4191570	6422844	11696589	19242952	13660945	5109314	10320107	7688247	5365197	1345644	5026279	4805107	15463155	8206231	3270087	5954056	4173813	10390511	1758561	7414712	3892472	7788562	6464082	8488391	2399692	2104512	8158191	6330966	6300298	6731144	5015822	5861758	17058220	19175420	8418642	8652370	9396780	6130761	12775101	9885611	4033695	4172217	7931867	1494282	12012318	11071153	8213478	10426374	3115943	12267342	12480732	4712577	9438877	5159848	13930010	4743569	22872254	11533407	6274061	10873170	9212251	10890076	6300165	14713087	12599495	21695034	7898471	9199649	5872973	8603520	7561687	7238289	6647844	5562155	10165567	7387842	2219163	2666173	8669102	7025527	8874225	9566332
thromboxane B2	1356973	353444	1323292	3030291	608988	2972482	2969001	1859330	1561608	4902907	4952093	8664383	5216998	1263395	914582	1716742	2041865	1469668	3002431	2122425	1618182	4886950	1046378	923173	1901532	3278950	5641444	8179102	4994671	1999780	4693109	3117854	1948340	365100	2139640	2568481	9062516	2906085	922895	2054477	1358600	3632449	661361	3441838	1403720	3580312	1584490	4173108	797892	627053	3305436	1974787	1873412	2252069	1806267	3245521	9459192	7220966	2877416	2838266	1967244	2064977	5100538	4976845	1512001	1959381	2987114	376924	5517259	5249000	3707599	4552468	936315	6243995	3697390	1808077	3512213	3062536	8086272	1427340	10146579	4264073	3722226	3706285	3854861	5775541	2213941	6607831	7510387	8907211	3224586	5177956	2959247	3592438	2592837	2133835	3202588	2700416	4550553	3643987	659400	696491	3128681	2747943	3104370	4092321
N-linoleoyltaurine*	107807		138277		128848	166669	129246	61826	75182	122780	203144	232335	209723	145274	187904		173491	479133	93820	113970	661622	118651		129550	99330	101704	72009	288733	97025	142255	271523	191046	42371	173794	210188	127599	97174	75911	135900	192502	98907	48916		250697	158803		104693	95147	87202	453256	92591	186666	308186	85744	117620	97652	101043			123143	58919	233951	133571	167887	161471	109258	88971	196142		54689	126605		122075	387208	93635		69298	111206	127676		241452	100991	66475	172470	70081	84100		129994		98624	73996	83494	121907	64162	28755		154404	117906	62532	102036	85712	101333	91948		95052	
N-oleoylserine	106496	177030	198954	71939	205311	242849	109718	125317	133127	97738	248908	181562	239527	146643	259656	149304	175850	289748	104185	175895	142080	94132	101511	133011	165985	163252	197036	257676	209147	239965	246052	209815	138280	154749	186530	307772	159853	185614	177016	186393	225252	123534	265789	207454	219216	307531	152954	79207	148183	123339	214770	168489	242464	170964	163424	197083	157267	137259	268644	185316	168850	206613	160568	261941	253073	187896	133126	214298	116759	155519	186867	124301	133247	208648	129360	106829	120619	121377	153773	181579	226669	160886	227899	218326	241056	266443	97220	174442	146527	143838	160615	119516	140614	165732	117100	123231	213745	202059	148068	145384	128940	254790	126566	228681	179481	138220
N-palmitoylserine	315603	454219	524152	278111	409935	638286	302376	286712	328570	259724	265717	318705	330350	426570	564816	297533	536385	555846	360617	367588	351232	229707	318354	209543	196017	423503	399434	555909	476695	721110	322001	393723	463879	363945	531199	408855	442881	554398	611478	535946	587611	559006		442707	397135		391176	166843	393833	244103		452588	308085	405141	479186	604913	388271	390868	514053	306513	462836		385412	425166	400374	385400	310764	436252	417886	494829	332220	386761	358555	473666	366165	320961	319633	240515	315808	403879	376757	473325	412660		498253	581309	288772	373994	406732	459878	534524	446592	500274	432783	342529	419574	505922	609264	384955	384701	250680	502295	348747		316776	344507
N-stearoylserine*	68938	114225	120963	90672	162057	145909	77909	100274	102735	57880	87095	111596	99861	92934	185590	119095	145036	179371	133201	108722	143164	42463	71404	72019	117412	111011	121076	138855	156249	187068	202834	152022	160899	116654	194481	193887	67442	150500	144271	141096	187399	111106	185231	155937	143763	203166	118576	57785	133291	85813	102800	170521	135403	121742	124336	160320	118349	167773	160771	82220	174585	129427	132929	155989	202841	132130	93902	167762	127174	136131	107609	120747	94854	170779	96327	76962	94343	90490	83571	117036	142888	125689	188958		191614	282194	82267	153319	115850	84618	150277	118757	151428	173646	86134	153401	148283	192424	155954	124303	111009	204700	124221	126694	121699	113212
N-stearoyltaurine	167519	88463	234111	76126	273818	246902	155451	95988	80218	165774	166516	106157	141526	109618	137801	81271	189870	329283	95676	122362	177926	152691	128262	90642	105522	95287	111842	236890	135372	145715	93048	109979	67949	224594	137855	127664	127488	122145	136488	156116	108524	71145	131919	281096	92885	87777	115918	189821	110903	163614	179814	110658	144348	150183	139810	151644	233672	243473	269745	148204	197100	141069	184812	140045	132103	116277	66484	105748	126540	112244	63918	56043	108612	115918	57585	74873	117407	88190	121641	125040	300666	92438	112437		66163	110721	76849	119230	103271	108960	71048	67977	112435	110902	36233	258087	128852	99366	74640	96953	110172	124314	109599		122309	99195
oleoyl ethanolamide	196878	213097	330524	98636	332009	347171	253774	193250	259792	247013	491772	398615	659004	279673	213486	143415	267761	614314	106607	353188	590727	218622	85861	227265	419063	136225	186720	365717	147742	253103	336775	341820	157203	439482	191873	379070	159040	152649	137873	240953	324749	172535	544171	356220	366405	828328	166801	281226	190452	538470	323178	201673	759707	451118	221148	242800	165662	184623	392002	386729	180432	486759	308222	564181	627852	334702	173693	425084	48694	204400	296413	77359	186516	524926	159009	109264	190738	159875	270030	432929	480272	191731	332625	404515	172695	301020	195182	251337	271508	156719	144311	132606	171947	155883	136197	180609	241268	434836	208926	130813	163913	260570	168921	459288	302383	228473
hexanoylglutamine	146326	61203	140001		162287	205526	82469	82963	433867	58967	199457	189149	265619	172500	63935	124229	113661	166381	39214	120557	1593440	88545	47010	416543	163869	84689	42483	42593	65883	148459	83392	248671	55595	48777	48570	303830	169149	229354	41257	42229	193299	41180	326828	68851	291528	1264394	146925	75776	30001	1646979	298299	75556	2059961	383117	306446	98072	340550	104372	751953	270862	71948	248210	78763	129955	148539	115038	63027	118923	161666	84162	67692	26614	126083	706526	106511	71373	123033	232710	162938	295969	366065	185218	165687	114458	49473	35653	47591	206359	63226	126228	124522	104624	42734	283695	74426	136804		147008	37006	80676	89896	54062	41483	279858	272647	176514
hexanoylglycine	65854				78053	71856			86283	42506	103894	62961	118057	112798	36228	40631	72268	118137		93714	1013905	74646	33408	112159	104775	38997		15934	43064	134285		153381		58706	31634	76533		71601	67548	41611	93564		100944	57373	125562	289264	87688	44786		170718	82258		177108		108214		68173	79281	105785	82781		145300		153803	59865	54125	51151	50971		71625	106916			474747	28759			112086	41500	62085	166355		182420		34130	90560	57435	165489	49612		65484	131687		99821	62367			62707		51092				128992	111249	72459
N-palmitoylglycine	342114	369599	444029	151091	395597	608937	312563	302629	312823	285065	481956	481292	614284	408966	391005	190400	502752	995072	206752	445855	823578	304438	230010	228258	423481	252740	362110	482680	246733	530720	352411	353593	192798	401234	334453	367999	205365	350103	404704	497916	362027	236838	430935	485493	404093	467370	319194	225513	272890	442986	385451	347972	444930	282558	444637	332406	330568	282373	479566	363349	275287	467821	300602	627590	539823	335842	268983	386933	226198	359061	464650	205801	264350	690391	246292	174025	206491	240591	387122	295675	485651	335226	419416	361836	267664	480990	204405	394845	246945	210140	237848	250475	377367	395251	225356	190952	424631	367906	249769	313141	205872	325277	229740	305736	403451	271589
propionylglycine	995551	993170	730064	457440	559464	1038183	532226	1152302	1470168	608527	594266	632183	806718	340962	876640	476472	391431	1355501	630119	940499	1016605	555125	572840	353208	765879	607666	729341	1115890	362794	366841	1169188	487673	564026	255143	959902	238346	1107126	357261	967505	402912	512194	307357	1039331	368752	229869	436944	543821	281953	994132	357983	463006	1125329	225144	348388	446553	488543	252479	721336	301810	306271	759924	853122	290876	304229	538052	338663	568212	682646	539154	582716	686561	954520	602431	717155	691673	373493	506785	311695	1043390	534803	299534	740068	482725	472597	758343	489895	468358	653936	923991	498468	434807	771205	1196699	408000	303739	793061	826560	205742	960231	495071	1013207	441685	502715	453253	679468	336068
N-linoleoylserine*	68467	151474				209519	76030		151069	65177		166048		88853	249064	66493	152491	147092	82796	97664	104475	27081				146264	187059	148436	164002	234073	316617	191915	141937		224641	187475	96493	136529	128862			122167		191047	186761		112385	39102	176684			160255		157298	161565	95879			77463	64021	137977		182023		103279	116554		298809			98586	103407	130677	199072	120462	110276			80201	135495		142024		210648	243042	250160			110376	131640	174759	128721	151418	178144	113606	132668	152315	225100	155507	132681	103640	193802	133855		98513	
N-acetyl-2-aminooctanoate*	402475	520491	322779	210942	406809	271587	308361	195423	572325	376710	966654	957010	492580	377573	683280	229722	511422	188167	742183	312294	122995	279225	224986	439703	246900	297242	359387	274720	399802	564123	315815	358748	368646	419718	410847	354845	361671	343358	439439	468867	205705	207038	332022	430078	849368	423876	353129	295988	401446	159726	729059	230888	351693	486280	356442	310825	627273	520487	315426	668594	528511	325033	392554	315216	227993	974308	581103	444051	362062	202105	205414	868271	336365	333489	656443	363268	749358	252804	311399	753038	703868	537939	385881	314785	206914	434294	480805	412539	213570	288501	488497	444582	182697	348495	443996	255842	328633	430940	222904	443454	527530	484607	383199	392507	497807	632413
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	10663659	14413189	23143230	7410411	39243068	33702620	30478798	16430839	4147250	26784580	28875070	10992190	13443335	12312243	13676114	28094460	22541276	27419188	21205166	9835828	10795283	6092108	11001033	4197771	6200386	8677035	7110339	13739918	8187621	5275556	6372045	4169497	7978367	4754447	11189787	11869651	8030138	9394387	13435428	13691848	6348801	3826453	15505002	15080053	8800097	10026359	9319731	6903323	19706218	16149947	3537859	5996233	28448154	23764792	17253744	23371992	8526884	29108738	18813058	11487102	12038547	6246482	23484588	10445337	4003905	10118996	5701734	7621888	35781384	11491606	9972955	12059507	11205039	7715284	4865552	17904714	3677104	9028724	7500957	7827252	11229502	8144163	6362366	7119280	2924731	3066960	5222567	9310280	3759545	4363338	10767990	9243628	6842019	8420202	3189904	10654419	2494405	4980340	6007050	5473494	7406517	24978092	7171668	2170644	1519731	7127198
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	3030817	726985	939784	1447142	2283965	3083605	2919514	1063792	1169194	5183024	1413243	1039525	1276599	499357	2345850	3175021	3060595	4433087	2369286	6387428	1150734	917176	1665007	2619273	9782724	3258310	4131774	10230793	7933328	4390110	1598312	3223066	1741177	17114892	5774599	1960498	2025932	1367755	995126	2012812	3755534	540971	2551958	29749508	5143512	551765	4237735	1390360	4223151	980530	18552108	2764266	2726171	7175503	781651	1666256	1363312	2829525	5942794	3180844	1594205	2282925	12953956	2911078	1116026	927475	2610841	3246937	5309524	4596537	1778985	3820765	10593030	1222280	1437835	2469369	4188909	12980612	3057163	31620062	7671605	6350169	2112560	1079585	1798467	3257273	9485261	3452668	743707	2031310	1751345	1240925	1851270	5260102	2205729	2509202	9083135	6578596	913257	2131950	3778897	10251680	1931016	19153810	4953305	4210655
3-hydroxydodecanedioate*		67730	285312		223185	372239	112822		132811	160021	358613	106703	802557	35919	63561	262957	70827	209633			1979512	158808		515975	327122	276082	74395			160759	73932	191993				35964		243835					147771		334731	1648389	79578			3030175	236858	27865	3207991		196402	130131	722725	192184	407412	96429		345613	90295	630443	248336		37432	134102		99482	66099			813507					148227		223613	117366	71238					82908			81568			447667				133662						304158	127747	
azelate (C9-DC)	695165	625072	816310	613817	505599	633105	910967	631820	859679	1308642	1224656	719685	966868	1020710	2007144	671699	1038631	814424	635612	457281	327764	1081281	633327	685831	574350	1174668	642585	563737	1010273	502010	1175150	816460	890700	363789	488148	928285	774351	976751	998616	1323512	627275	852220	410341	762514	1265113	995952	1916577	685905	921809	446749	796972	635225	1818201	719146	795955	492569	383165	804135	335215	329597	458855	738819	437688	1475688	729083	824644	1033838	565645	271925	606065	1365544	1548978	585345	600528	889010	543471	1893119	607985	679744	1068105	656340	1503989	435871	627384	778246	1091628	995054	611833	480882	1115270	793941	929016	552989	1057634	1300893	615060	1828766	695978	1313580	1591046	660165	442204	596050	422058	1051415	1570999
dodecadienoate (12:2)*	903219	1359328	2565518	798035	3451233	3618817	1383663	2501249	5372470	1923272	3946771	3285538	12273019	1518848	2086671	2817524	3277059	3480035	1824923	2928627	5101091	1892418	1270285	3961577	3210804	1407660	1601944	2005364	869517	4379609	1011163	2803638	1818169	3308289	1821481	3225098	2021594	2147761	1261162	995990	3497853	803554	3315615	1829339	3269330	3589302	2067135	1577096	952851	6523970	5107013	1179004	5102708	2945213	2619755	1488941	1598275	2386415	3082836	2503520	1585865	8966691	3814199	5143811	4289241	4715113	1654691	4564623	1135700	1624997	1932633	820586	1497142	4594455	948422	877769	1647370	3270540	2072876	4177469	2947863	1495388	5800542	1670046	1609132	1670241	2935336	4180097	1507383	2474971	2602539	2864484	1438518	2062830	800152	1603558	895377	2705206	918097	1961795	1263759	2851475	1269706	6629930	887908	2710115
dodecanedioate (C12-DC)	359687	451003	827075	265457	655276	996237	671732	315404	545350	676521	1048795	553120	1482052	352692	490543	502073	566747	678880	520018	411580	3842632	606313	521972	851983	791207	843123	612855	235676	221988	499512	929430	462513	943177	302505	476854	293945	488341	1678688	502054	460506	360376	468226	302771	551284	708420	1545971	649231	390401	515881	3824202	1122224	529191	3413896	539212	962513	522406	1161060	677822	1148240	395093	187671	963610	481006	1367581	508558	471206	284871	511570	639372	571132	449333	835794	634184	1539703	358448	172221	369118	348213	613703	713336	654820	703019	503778	474051	408034	862763	579871	422318	176885	484934	1036421	290333	580726	1143989	672178	459930	314602	409565	431481	332191	244192	273469	374491	615962	935435	348595
dodecenedioate (C12:1-DC)*	375474	309364	720892	313460	594091	422521	344446	185914	306433	319084	483954	371406	1241920	129876	302560	226741	192805	457684	171051	279257	2090180	307593	280191	378617	1163040	450476	412757		216287	1331481	1583641	985639	2321407	488044	1450771	335115	412832	561155	2202082	1181995	369347	1052012	208263	734827	478578	881802	865723	364626	204774	2813195	784573	2233950	2271926	275326	560245	340717	746870	507849	860837	253608	87957	806568	174416	964524	347572	364636	344325	361492	286722	597205	243434	221593	185257	879143	153360	102919	202921	182344	389523	275939	307819	238745	210045	345819	157066	1530812	858741	542787	118507	285961	360157	364936	375087	413694	852994	134699	238726	637882	206112	356241	991881	149678	206812	485594	320640	919148
eicosanedioate (C20-DC)	1147714	447385	390900	445847	588259	577767	573785	448717	747071	505318	2358964	1965171	556283	892825	475049	1089436	870852	547026	850473	1102180	672446	924149	502665	1544235	1019034	836262	1129012	730335	941389	1061184	838879	1101410	530088	564410	192956	381779	441937	867122	452494	432437	722306	1315179	808174	1882628	2122082	524835	639031	1358479	432716	962384	1062801	237471	912530	1011009	817081	394309	1232442	1024982	1295167	1940135	1086981	1632684	1059268	757288	668436	432563	701257	469553	1508585	328067	511193	918222	704026	777379	661050	428384	1621488	971252	1321541	1566661	1507344	347601	924972	628349	299843	1168771	1476059	303311	501680	1277166	1896111	690765	392227	1299666	1034878	589192	1087904	789661	349689	1098715	1097005	628274	490747	775343	738701	200028
eicosenedioate (C20:1-DC)*	2128572	778651	424973	841877	597383	1070224	163033	783499	1412011	649413	1283985	2042416	632395	700922	430840	570337	306290	630257	707194	1546420	335811	887241	831817	794183	1462262	730722	772687	606491	770009	1365537	858674	553896	1166582	1083202	563121	287553	921087	1008703	1237924	904839	464075	1843651	528579	1959153	1255122	383303	943470	2430122	430437	332573	830791	864859	656562	1774989	677656		655099	1049630	1019160	1295348	1117656	1704847	657161	861802	1469823	574634	1083344	502885	886651	537439	531085	987514	1757718	641639	941384	887901	1179991	648501	855661	1013878	901793	613087	1302244		871000	1993169	1506917	505159	844502		2049157	1457465	1184706	770853	1652023	632764	1944687	1792973	615998	1090804	2265909	536792	1099891	617785	625028	567503
hexadecanedioate (C16-DC)	1375368	1052931	1547944	731146	2102317	4401241	2471674	853820	1073341	1346324	2844627	1988905	3936927	1408878	1539921	615591	1180680	1682558	1144943	876170	10527437	2554053	877792	1579454	1868276	1559629	1129487	767428	856451	1581584	1983650	2119219	1708506	802754	1393630	1125495	1113798	3202327	1326877	726407	1912327	1236437	1804343	921694	3452159	5440913	1702694	1023637	820933	12058907	1332791	1270706	7663871	2146574	3629329	1567417	2937953	1978659	3614051	946021	569671	3003517	1349340	3480287	1662194	1599973	1323083	1386039	1065116	1397040	1278653	1437908	1858861	4144442	1499491	680355	1459627	946799	1710467	2755642	3443119	1613143	1478826	1478227	1378632	1501660	1426808	1598199	577293	1543895	2413775	1305914	1465261	2870770	1549915	1537124	500726	1277625	2077355	1019807	949277	855860	877985	1048401	2241771	1004843
hexadecenedioate (C16:1-DC)*	585618	521585	630939	505380	818424	1373381	1040265	382996	487441	514482	1403375	1100612	1414301	908144	739252	669202	752048	718999	922905	494427	4838093	1140504	357149	1071922	850658	889126	630169	501026	503124	782853	1320222	1283134	1067854	442656	937265	751795	901726	1913825	1097504	434305	720350	1250880	579710	784081	2064577	2367208	983191	570378	362467	4058216	784958	580790	3465617	1100484	1241960	647223	1969650	1017555	1392467	764846	530057	1473188	485664	1369578	756742	753507	722433	494898	766971	634081	745476	731952	1123392	1802901	1026813	429048	1066249	583001	807628	1400854	1214159	614177	546116	882526	823269	909732	1174102	942492	383713	914030	1660819	721398	701236	1218584	931036	505018	575816	685633	989084	891800	906775	373903	611917	648006	824864	504683
hydroxy-CMPF*	1904720	302799	1082976	1022791	522709	1146525	890688	533572	2292376	1832172	746384	710310	716864	473173	852318	1561726	2052036	2137762	1036825	2755941	640244	729722	693622	1875737	5002537	1097184	3401014	10804382	5133488	2603110	2399984	1741108	2113283	11669877	2022192	2841028	781162	792033	484715	1397962	1944817	440784	963888	5972123	1266189	235975	3598453	1257517	1337854	556078	13534432	1726795	935279	3048137	339708	1030546	838219	576960	2386035	1419164	607331	3809528	3824162	1221089	999356	583779	1302913	1052872	2274944	2514074	1761390	1829250	5049012	685235	896660	973120	3721534	3447136	964138	9594788	7999674	1769789	2392796	2144137	1923253	2368561	9906990	2122011	2096510	839744	976684	632700	1253069	2798499	693491	1362241	4931457	2293507	367309	3140603	3274854	2131025	869951	14830026	2348057	1585034
octadecadienedioate (C18:2-DC)*	1035225	771370	1471466	852533	2671142	5820333	3892030	626518	835843	1243567	3912119	1715313	1731324	2874718	2709481	944813	1645862	2191507	2060478	1397278	5249045	3759107	822043	1054724	2094354	2348285	2061869	513565	1593792	1815303	3118372	2945815	2870978	881705	1600435	1111570	2030207	2069864	2280403	1073499	1488162	2087600	1434355	1166395	6943415	4008793	3215844	1777380	1031259	7835566	1412862	1263436	4664838	1613535	3753046	1224279	5830205	4133751	2126024	1458574	286827	2402021	1138010	2731709	2771130	1730960	2323626	1240043	868833	1507224	8087421	3162384	3016687	2012778	5080155	4321509	5683585	561965	3259286	4626242	3022294	2062234	915905	2871204	1768352	1478039	7311695	4712398	1015106	2706049	2132415	2151520	1677148	2370895	2040784	1644407	1210676	2025018	2779883	3572774	1716843	498641	1520045	2048170	2961576	1603024
octadecanedioate (C18-DC)	1083853	591150	1082778	535594	2375420	2698722	1311924	697087	1183604	1239135	4061590	2057777	2886626	1678091	1167262	809870	1586438	1944481	1286402	526677	3586357	1932399	956436	698200	1581438	1352403	917147	673970	691795	1838290	994611	1546083	919917	833030	706272	1427539	1399126	2135481	698714	719553	1329104	508803	1550997	1853615	2734491	5066097	809212	1121006	818923	5802669	1412005	688326	5972448	1643218	2020279	1222563	5438446	2404576	4739225	1944264	982829	1032717	2209777	2397587	1513212	1679428	1279112	1292062	1973968	899745	943286	1402521	1219771	1259572	1480941	712611	1371768	859951	1416491	2077634	4141445	1057060	1233297	1181817	648967	1272522	1231761	1104477	590416	823034	2438803	1299281	1307247	2714977	859220	1680741	299584	965725	768429	542952	759455	1148794	534758	1526518	1348538	977012
octadecenedioate (C18:1-DC)	9877046	7001838	11930169	12020140	18436564	40803104	29087648	8357201	8514729	14861268	31147396	19675772	21548768	19463164	19424682	6686631	14577724	15872306	19676416	9935633	26415890	37919940	6354580	7837814	16366355	20175754	15302335	7341278	15128159	13560316	17346360	24081512	28929228	9336391	20976480	16918662	13321967	32905846	20076324	5660712	12775778	27362844	10184036	14780527	44046912	36745296	32343024	13834314	14349427	38768492	15054737	15795252	35627188	18354732	26623190	11057766	30598434	22603314	17616538	10409354	6007438	21587776	12833499	18318986	17283978	26695824	23295760	12701622	9051299	10468705	18806106	11807075	33752460	13320380	27800240	10093097	18969408	4458633	19035622	35396564	19212380	28890646	8010483	21725508	14310515	21350940	18028658	25059576	11240285	20106354	19606144	22770170	22242404	26559856	17245956	19503150	8676494	21812272	34318900	21751048	24948820	5614843	26887502	9460768	25406022	17619222
tetradecadienedioate (C14:2-DC)*	204170	187176	446816	98011	411643	356372	149431	280161	211029	185778	365839	355217	1365984	214353	246563	245280	118329	248840	141357	305695	1859411	197899	173629	435073	228521	169243	102643		78954	320456	194999	602531		127889	183424	472786	288480	381263	158885	209756	453975	75532	212890	176823	525403	2265625	151411	139033		1758806	169307	98535	2054027	320633	388376	307682	1066216	236990	725925	445104	154239	568440	221900	544676	479537	549156	140027	465425	220412	136756	128899	77234	161951	1138558	134472	124972	243007	247202	224814	164075	411151	235155	472226	207062	183601	97019	139829	414864	10614	209465	311893	255694	136970	189903	106354			442719	192146	159532		164568		365725	115644	294445
tetradecanedioate (C14-DC)	624250	481655	608335	292808	997566	1352654	560118	471378	404601	478841	933773	708041	1918094	417234	534037	387905	409481	661766	361282	510545	9586852	595869	423677	1146805	898442	656216	249835	263357	191418	456927	636107	590174	461071	230879	323277	260120	510816	1504373	418358	337119	607750	513698	596746	397264	1267337	2829917	520011	286742	306656	6510307	434765	281930	6225801	870710	1000041	657446	1724323	892811	2413369	509270	328732	1778655	600371	2521369	738305	696902	297633	640182	610690	776693	470634	832655	621524	3860531	442634	226792	438987	661492	695655	646755	983761	495970	579734	524692	397641	521791	519069	782340	204080	399019	1131229	281106	612012	940130	493232	439884	256313	490160	588592	315457	288202	303282	285262	435173	662944	432742
tridecenedioate (C13:1-DC)*	403316	105742	186693	74038	562892	1290847	352382	248128	444128	812770	672926	599640	681844	249103	265609	353662	260864	511479	222792	547526	1217579	224146	218424	455808	392122			246370	201701	1235980		170724	159808	863137	130179	391435	178276	571136	86466	519466	506770		384063	271745	508313	492788	207880	117994	173845	1215003	216881	122925	1863629	1173542	504152	252358	1701147	398807	2668446	1121804	291019	544436	762125	2080812	773966	805000	224830	311023	434181	284492	230328	265562	349239	566983	91362	124120	326136	353190	591170	381452	670212	292645	906133			185722	422890	406497	357150	215295	461833	710396	272376	699051	191289		119222	576138	214245	110250	181965	332614	67579	709290	98144	528186
undecanedioate (C11-DC)	129874	107485	130520	87371	95011	133435	169056	126287	114317	191743	254528	230395	130756	119440	243257	78658	169879	127397	127511	91554	206956	164486	116660	104637	144463	209965	76575	114077	112078	171282	398454	194018	238675	115902	98959	145114	145361	170418	139439	182365	165884	221479	81164	233656	164117	147210	180831	164674	124536	267682	166265	173325	221602	173955	190017	152701	110675	143882	105951	72683	102825	160890	98240	173169	94146	167089	145294	100836		234392	230076	232134	162268	130666	246032	109452	155368	113049	175908	385462	120698	256681	123707	181453	145991	153541	225700	110345	76912	109422	213409	120400	99949	210751	256120	125625	219745	100639	185014	198138	185024	97336	90325	115620	123498	149398
12,13-DiHOME	183723	165863	270527	121286	242889	531595	845114	330076	336325	396584	834964	432758	652819	873344	1077896	1117664	815554	1096395	198105	576560	658032	716424	254565	671875	449624	778713	506338	144654	526352	554629	417559	497662	693890	1004132	167755	291579	272995	302272	276104	1554660	263905	538016	1047390	547666	2115802	1549354	1289553	544856	364937	1069951	1032695	231919	659808	1027028	218440	244263	81219	1527331	249593	272202	89720	1226188	438858	1291708	355369	852698	1489036	479306	208353	179223	447174	1410756	422191	563376	752030	271222	254060	405454	158764	1016859	393445	510862	1144733	455853	313318	689709	713309	414834	127653	452634	490900	641582	955700	399793	746123	443411	944060	1113466	391409	475881	420649	314936	364539	1522014	629364	562183
9,10-DiHOME	597007	292736	214425	375293	312307	591045	440015	841487	1266371	743140	3763626	1822627	2136431	6210883	5080009	2163733	4843348	4328219	403538	1316279	1124393	1124690	511197	1901768	1582216	1931866	687476	422110	662312	737757	413852	934612	1618137	2016953	449485	1056038	261953	698129	745653	1996834	989354	972379	2090613	942968	13609938	3270545	4701140	1475943	621206	3052586	715214	420886	2883374	1681116	621071	217553	299294	3930940	642818	1145542	204205	3473047	881023	4933137	725489	1505620	3096773	1420678	213628	306156	2405496	1285490	841116	2057569	1878180	729951	464004	1089934	385747	2106206	1260885	1092396	1036904	530419	435972	1859182	1170552	973849	228235	542578	759360	1779782	2333007	545133	893132	745044	3065863	2651140	925140	723492	789185	647250	764522	1867787	485138	1865770
13-HODE + 9-HODE	1743392	2094082	3172450	1517014	1935222	5140403	3348254	4328155	4925594	1808785	7592668	4146204	7107770	13651223	18466624	6322562	12572915	13119537	1774437	4018941	6106413	3213306	2239482	7567475	8486370	4599013	3710768	1022292	882131	4119005	1904411	4903936	3400826	7023304	2948532	4257880	1911644	3606017	1691270	4431742	2247187	4480318	5935391	2847649	20578728	7402926	6282958	2655442	2058091	8970785	5489717	2394959	7519145	4938356	2269329	2019251	951968	11336918	2638169	2578126	1727516	8488508	3257443	12618958	4159919	3192807	2856253	3648456	975223	1726856	5188257	3950873	2662747	6734746	4924743	3685832	1798257	4770415	1894342	5526959	3051789	3321424	7634182	3337031	4171132	12465946	7520060	7225121	2044486	2107990	3781365	4627935	3935874	3380510	3396594	2009281	3535019	5694504	2699008	3215358	2209020	1793475	2446770	6991706	6402952	4457917
2-hydroxydecanoate	3645256	5516033	3764358	1452062	4159355	3696013	3079955	2828798	6784380	4334939	11820835	3109309	6238002	11944610	13969693	7402217	13316170	7899428	1989597	2540919	1617836	2746960	2735686	3469984	1857957	4254936	2349351	1416292	2574627	2911405	2375692	3850493	2313459	2127931	1606585	3039140	1525839	2802970	1840931	6560816	1425058	3275027	2825139	3081648	21771760	4169718	8715174	7054186	3365809	3196713	4491353	1217648	6254596	3200493	6473760	2567153	1002221	7102748	1226765	1659922	1095918	7097546	1934211	8388401	4417630	7028628	8256345	4047041	1450341	2107048	3399278	4288117	2545023	2552033	3459808	1998622	2199647	1664683	1146925	4978923	3594911	3413893	3021449	1999271	3051072	2963381	4038194	2371544	1390023	2883175	3629480	5086044	6137606	3674478	4557723	3342520	4187166	4837195	1982469	5206417	2811028	1524828	3521367	3462838	3691560	3289937
2-hydroxynervonate*	789375	755010	1049521	593746	1118586	1621745	964458	905273	785681	752263	1025028	692426	1066035	1122132	1231797	228633	1343554	1793297	559785	1039160	1195373	1059963	719529	806228	946850	552824	786335	1069115	443418	986326	749668	749480	477465	742861	631888	952269	627048	777657	608039	568914	1099281	839108	661172	740487	1252379	1068883	788215	536801	604145	815786	1505872	670632	1919460	624069	836263	714534	1411854	687577	1198002	872928	823848	1013178	861892	1271821	934452	628133	537961	1328242	713711	780450	693123	434339	779685	696003	554231	550887	744464	759767	961458	904743	1535405	815037	841055	641392	463363	991139	366029	639028	864130	555137	796642	441227	434255	1121977	396463	582175	405971	821284	433774	711980	356666	716912	546115	1107480	826244	674681
2-hydroxyoctanoate	307559	457615	276719	208224	198458	410946	378900	303772	635582	410714	1707677	616781	483584	615520	804901	435195	635945	479813	229795	300999		296821	252973	280563	228490	273324	317485	209061	382403	351446	292848	361017	467184	309930	225069	289592	231000	237344	391045	770697	122512	468632	348011	476255	1372663	476317	552580	329909	306169	189659	540374	185023	862752	443486	594309	243879	314830	552582	254415	400565	392821	439934	257988	688761	577807	544301	765396	438779	341670	207659	581317	798112	520421	148227	624821	704876	695966	223547	347049	606545	222636	574614	306960	501848	230394	515624	374196	240085	173544	289706	231272	560765	306596	338936	1056889	308772	550703	571893	359116	610327	351506	506827	341965	269365	355607	745980
2-hydroxypalmitate	24090474	25015376	23015174	15432219	24678042	42341600	23549966	20199562	17724846	22820218	28643484	22662390	29208772	18219970	28905888	19839566	26219390	34863516	14075258	25846474	24378434	18487484	17528828	18718214	23383740	15409753	18678116	34592828	18224084	31188416	18501732	20207420	16313409	33013040	19869324	27432672	16996888	20348364	17140936	18627696	27204332	17912778	21676282	20044240	20401708	27132730	25518904	19218032	22492076	26462656	27765594	19367168	31918876	22420784	28317492	17125254	20889986	24291330	43366028	17397116	19442026	32530498	30036692	25283880	30074928	19453182	15285040	26050934	16614137	21062268	16946924	12368894	17418304	15194099	13819368	16414195	16595152	14835232	15495747	22139224	35285032	17242004	28012950	14947335	13587110	23398668	16509299	22103450	19401180	17303964	24957512	15191610	15349327	19725880	14955699	17803736	18499620	26200994	18161892	18999310	15589025	28240360	13359405	25471920	18238144	19130388
2-hydroxystearate	6268921	7023915	8150310	4547275	8001598	12169058	7106880	6423254	5032054	8231475	8260919	7001278	8258344	5708382	7364009	6098589	8833960	11317959	6144899	6550627	7704697	6837788	4883225	4428451	6784883	4579610	5457391	10675726	6923139	9338797	6520707	5897439	6071604	9277134	6692101	8699910	5984650	7584361	5385485	5066524	7648693	4572538	6921399	5789985	6194686	7429720	8942305	8165923	6790163	7965865	8811707	5566136	9060623	5549392	8027437	5407522	6318709	6954375	11061996	5899215	6011102	9986518	10876412	7719180	9233346	7292173	4395014	5685394	5663802	6385849	4564863	4058776	5353166	5273953	4742461	4922258	5412032	4850047	5011165	6090732	10821826	5942784	8879131	5118637	4207789	7600262	4682664	5934001	5541725	5360002	7684815	4327875	5233726	5355926	3429684	7991953	4987014	8444883	4968444	7152005	5051737	9189965	4729899	7488114	4975802	5485278
3-hydroxydecanoate	1353755	1880275	2620463	988821	2349798	2842514	1677927	1705267	4858682	3233572	5673057	2265156	5865409	1748102	1817168	4851647	3550217	3285997	1137006	1483890	3296240	1900593	2469357	4618064	2247006	4770056	1309296	1122108	775272	3581405	868996	1170982	2122814	1741631	1218652	1816546	1367633	4752252	1756874	923102	1877040	1041442	1729051	1863136	1987446	3200100	2164678	1003811	2454635	6246026	4538827	1253609	10811960	1890319	3263163	2007226	1399188	1653365	2193609	1222659	1216219	2930138	2227516	3624339	2422592	2818417	1665057	2865320	2452187	3840547	1592459	1157273	2078051	2151698	864876	521081	793916	2543823	3031524	2607743	2514507	2918601	3452586	542605	699084	2209478	1912222	2498194	1277530	1695864	3375734	1685041	1220397	6308938	1791680	2851777	967920	1477943	1219157	1791058	959201	1595903	524609	4459690	2956333	2128198
3-hydroxyhexanoate	461471	552949	818321	392248	496556	1345236	417888	615793	867417	957643	1322306	664311	1032166	463194	749452	684601	746379	726341	429506	558949	880432	579114	767262	711651	583601	946168	484784	409031	255774	1432837	374081	501494	535508	469038	411374	583615	681166	1457479	415887	315673	580085	528509	543854	739955	665792	1285453	615550	399837	488376	1751832	701279	407501	2927973	825464	1060621	776459	1870922	1198867	1565395	597415	473694	536859	823323	1123032	814482	743035	528247	904355	887184	692749	398467	441789	1032500	648527	257507	391577	290634	429774	703150	1074001	977729	898598	878250	334278	282157	584308	563626	595874	367282	583284	1359396	586167	706667	1444112	870155	1199323	477119	438155	533170	533394	386877	591903	228578	696204	784768	687759
3-hydroxylaurate	895637	690865	1577346	583238	2219834	2513345	909298	1202279	2239655	1400340	2793044	1527760	2829301	1338151	849749	3297639	1989122	2536756	794057	2235057	4269493	598100	997882	2367789	2218549	1745871	989544	1228146	286577	2566586	429095	1020106	568499	1738299	663698	1297073	666948	1188145	567339	366740	828118	595954	2587621	785482	1614325	3381513	1118709	841533	1286216	4916898	3469340	624742	2614175	1877106	1677908	912875	824973	1097616	1862639	1689163	1189677	2109630	3439265	1838726	1863631	1275359	1174643	2173204	938216	1410123	1055261	265794	1213777	2048948	298582	167227	725241	1691871	1430408	3147274	1834505	890392	3116455	605686	447577	1164619	1651739	1573420	1561858	755400	1606497	1104975	739397	2114608	582878	936048	426184	2423014	644916	705572	508125	2068621	237618	6123101	1224701	1071493
3-hydroxyoctanoate	1382314	2753664	2672490	810590	1735853	1961340	1648085	1182379	4080470	3982822	4936499	1733770	3543725	1056314	2057170	2940172	3197234	2143473	791033	1247973	1471937	2413936	2422493	2672924	842991	5665492	1741323	548411	833456	3129493	789544	1056124	2313281	1003514	1396739	986393	1711285	4829207	1639572	911475	1381517	748931	769029	2774355	1512267	1273798	2493786	1155714	2355835	2377512	2662597	1232767	9002201	2104606	5257338	2477294	1828489	1512183	1217220	953157	643347	1548608	1599278	3798444	1763717	2199787	1362506	3328410	2189724	3728804	1379247	1145383	2883678	1181401	758918	597902	389375	1014598	3727507	2174798	1619508	3940097	2893323	453426	659184	2023977	1410226	1704787	797029	1908181	2980724	1510647	1190534	7023546	2186021	2226923	1493463	951909	1537291	2212634	1106343	1177087	525979	1789161	2991980	1929679
3-hydroxyoleate*	3065866	2316025	3866694	1284605	4446178	7589643	3571412	5316922	3160434	4388317	5931914	5851634	4264881	3975439	3043302	5601612	5270301	7293843	1178368	12320143	14508522	2479237	1006634	5588664	6488209	1972440	3922347	7886322	2212383	7438204	768365	3373292	1116608	5479546	668337	3757595	1198511	3895902	1631724	2726348	4835080	4531226	4770710	17613760	5952880	6331234	3647901	6888780	3366286	20260222	8464787	2109024	6192446	2969766	4061815	1399075	3948793	3467513	7199326	4150279	4203654	6174728	14498818	6938688	6529938	3476359	3031743	8026639	4167411	1904877	4860569	1944721	2796987	6715620	1307879	738153	5429700	4364852	3337182	7624255	9015096	2102210	7237830	2704073	2186629	2866714	3501183	2334106	3415191	2428810	1364663	3593356	1701669	4049395	988686	3715834	2795094	4068747	1271405		5005853	3852807	1416883	7902761	1285261	2383294
5-hydroxyhexanoate		182254	83645	212463		236344			102052			131675	165734		352183	197040	203127	180418	379479		173478	176163				95654	184483	287193	134072	193684	171071		125589		233988	175303	170179	185885	276517	116793	157874	375887			184031	226316			181842	235020	119576		321378	234614			270626		135980			117714		190978	84819	216169		348657		203131		271326	163941			141485				254033	196170	191086		182048	166188					208817	159349	102699	168844	196138	398841	255938	188886		297349	139035					159852	115621
8-hydroxyoctanoate					181832	249324	173229	264168	299605	252683	320345	331906	135301	258939	379012	258922	386952	295181				237919	351797		307491	284820		136206	445930	285200	154688	293828	162873	133353	157525	336066		238836	460770	251016	169046	303254	377743	258922	156067	266852	366741	286430		238597	116482	120086	125501	217835	175464	244094	312332	309102	376444	228924	425024	293716	261266	366369	291927	212452	283058	226960	304872	278607	320744		408833	273848	448770	280390		376513	224714	332919	195976	388723	228259		249429	205335	474749		126145	245684	273398	258905	211161	282450	455700	394348	231471	195771	332715	540405	277234	410464	239909		290026	130781
alpha-hydroxycaproate	169223	354395	183644	296242	259807	160319	205095	224441	372669	262116	316543	280584	287515	443950	232061	226963	271926	249217	140208	178488		291277	193386	242143	223689		362260	214406	261044	270779	250969	241536	187566	123515	136987	214814	87388		244698	300723	98206	250841	230818	254812	292913		275193	200474	197765	229575	289252	117541	273808		269437		325409	130653	186805	262528	253737	228348	101550	163194	280193	216201	236569		259010	171483	230499	293796	123242	189576	214282	323557	347079	283911		314999	271812	239756	303091		119964	297731	301953	101424	198846	182642	237409	204483	231137	220995	314410	87276	297801	377580	185137	199191			191372	161457	237263	202291
glycerol	5410535	4896399	4687063	2455452	4739414	4233257	4678663	4744986	4708938	3031659	10087620	5542174	11242442	4074260	3041254	4346428	3646953	2791975	2594593	6473293	12320562	3100030	4844709	9431282	7291581	3223128	5980060	2830408	2685272	5694852	3042259	4946553	4717539	5704989	3200177	5642269	3995840	6354248	2856001	2431218	4105696	3797997	14717127	3069087	4586463	11522451	4747814	5797143	3674502	17818804	5816900	3330220	12473730	8070900	3965089	4016218	2484392	4934923	5856177	5057281	2559963	11642670	5999860	13230867	6134324	4226338	3728780	3214353	2404026	2541723	2338581	2996292	4283653	10017379	3769594	3911261	2619021	8203726	3593669	12758270	3682530	3309249	13330157	6043944	3996083	8475515	7017875	6023935	1720106	4354980	5065953	3310421	3323683	4445564	4987487	3993797	2248218	7084902	2299975	3467142	3269853	4837097	3837071	19495510	9783183	4725639
10-heptadecenoate (17:1n7)	7681428	8600103	17566374	4817671	15417494	30685210	7457122	21729964	8017743	11742811	30471046	13933418	63852248	10832452	9706366	21359652	10339723	21956912	3667086	36023172	52649892	3617491	10975651	21530058	26121224	3854415	6426552	14338875	2176022	13239245	3514720	14501529	3734785	23353994	6562048	13641286	6509804	17192808	3851368	6450357	21568822	4754154	61686668	13042225	14284740	51287536	9611102	6294139	11034161	66434404	9120818	2802404	87049792	28883430	7397747	14595126	5880954	6613820	50799168	15665483	6804601	44311824	36380096	105640648	28447536	10947320	4354222	25219164	10952243	5724425	4373084	4201077	10069188	46194844	3262691	4805148	2453690	17757800	9411468	22224280	29066750	11229433	35292972	12249314	10707206	8886932	13229985	32687676	4987314	4002540	16772662	4827895	7418665	6277380	2828922	12068117	3265867	23345226	3796382	5011425	4811372	24797252	5954116	26663174	7415471	20981954
eicosenoate (20:1)	22824794	20060760	30440182	7841631	25113136	38842092	23515008	19856152	26803220	24727752	46161408	25979164	75700816	29285080	32896284	33062112	37220316	55647788	7384909	61738148	94142672	21811148	16549034	39448048	62534244	17229376	29052840	33742584	12552763	31125584	34400400	83463584	11719884	41415144	16324387	61106964	17066562	21926308	9700613	11650111	36527280	14628614	76754120	31058716	65356504	63969280	32512594	26519546	21179254	159290928	35540808	11049404	98562000	46995344	29561920	64629256	19738014	27281010	70217640	43680708	18803442	76805456	48382208	90792024	60287748	20201592	10794274	54134336	15107994	11534633	17519630	6734998	22864912	92420232	19523018	12278826	13133115	28331196	43896168	70838704	84085536	25874376	50970692	43503928	35207576	40814356	27039008	47452580	43011224	16357810	24354512	12945677	11350842	20848768	10763529	21461600	15660779	51198232	11800402	21734184	17162834	29836804	20331300	67703856	28815728	27683184
erucate (22:1n9)	1895045	1944480	2146762	789277	1778689	3186929	2027386	1567536	2039745	1920645	3200908	2084026	3551947	2766300	2722618	2175151	4254373	5149076	743632	3798765	4903328	1964149	1392146	2332604	2582543	1683602	1981302	2553900	1191016	2314133	2627958	5443270	1160058	3447408	1367194	3596084	1369333	2072567	1012106	1192936	2553462	1445891	3844632	2883887	5289934	3672510	2387583	1724719	1897133	6198866	2906718	1067703	5892460	3111155	4610839	35634432	1625590	9226624	4875128	3442092	1737673	3898586	2743995	4798773	3800481	1679300	1033071	3372390	1133904	1063703	1638008	707904	2165619	4328397	1648867	1416755	1239630	1684283	3738923	11204178	6051154	3874699	2843519	3636685	2757882	3076210	1889928	2784547	3491865	2003083	2024275	1064204	1307652	2935401	2664580	1292316	1783515	2935449	2594233	1989405	1254201	2209927	1322877	5066151	2289080	1906712
myristoleate (14:1n5)	8529357	7114914	12416498	4956767	17236122	24063008	5878991	27437278	17153896	8231671	31511678	13575775	62512620	13156008	11592313	24768500	13993260	17139572	4643479	32276776	85814864	2905123	8572039	24984300	20227130	5064511	12516453	13198118	1871084	24417202	3289341	22325884	3456668	21180914	4689938	14113063	10205545	20464396	3574488	4361182	14711688	4071410	74211264	19553482	24007764	81300008	9840342	8035552	10827785	75445712	26256120	3109585	62235472	64651916	8058706	8749568	6678361	4917643	37618432	30357282	12423615	34783480	36575136	80212232	23679608	14490948	9074186	34746504	13579157	8081354	7905910	3994986	11769220	85049984	3482435	2578038	2305028	21831224	12622746	40566140	22274854	9038568	62020788	13513447	23361066	7206827	18744620	28367438	8578830	4295290	22028342	8544925	7849052	8338339	2999218	12722702	5063629	42968964	2675361	4570694	7373223	32476518	5455059	76716064	6218012	21756130
oleate/vaccenate (18:1)	1547665920	1968064128	3047550208	448206976	2937006336	4132442880	2137570432	1901652864	1943302144	1788507264	4319003648	2386738688	6036976128	1701992576	1357843456	2846481152	1947004032	3555474176	488256032	3849623040	6020402176	1612145408	1539480576	3792882688	5066994688	870976256	2426602496	2059812480	622576704	3106434304	2217553152	4456834560	842491904	4469200384	1028967744	3728424192	1088727040	1594061312	539063424	670913856	2815957248	540744256	6751870976	2181571584	3432924160	6102256128	1981974912	1697381376	1637926016	7478265856	4024753408	516515744	7375203328	2651906304	2650617344	2249316352	750500352	1896313728	4564793856	2364508928	802420160	6260141568	3206166528	6911023616	5008889344	1193109632	631219776	2714148608	814750848	574169600	935267904	298237184	1526477824	5133526016	1027336384	736924480	700537024	2690841856	1998420224	4375908864	4485453312	1331549312	5715420672	3360809472	2273768960	3887582464	2754170368	4343031808	1949358976	767415936	1875611008	949524032	632965696	1867331712	477116832	1141971200	731626880	3843937536	581564608	1161285376	1029130176	2069485056	977408768	7100400128	2673933824	2336831232
palmitoleate (16:1n7)	65762352	90302152	153929888	37966428	156286080	218305456	62882296	294584320	90533320	71556760	399560992	150006336	966575744	115932416	95771768	213264656	72287784	142313488	26631528	303324288	876329472	35243884	90124112	428603104	405597632	28112312	117756320	177280960	24313988	253063728	43835684	333862752	43299496	311252800	61648620	246274336	100011904	128913152	35019364	77371304	297492320	53691628	1061755840	149702368	274534624	1012704640	86778248	63524336	76583520	1010872320	151569616	26323994	1037442112	326586336	60951872	118830768	55785628	61042384	434358336	213778464	67719480	460859712	246166528	1179175552	440255168	99759936	46560400	286580864	77215952	38134084	23303832	26598718	57659676	867066240	32889022	27414296	30273784	383664576	95089632	552584576	385684064	89713080	782238464	296806016	301305536	99692440	222180880	534220736	35790492	53682212	154296944	81752800	54289116	49710780	24265938	72351560	44704712	535453280	30400492	45161924	55205728	190374176	73575464	727016256	68307432	293128896
adrenate (22:4n6)	9753541	14057380	15731482	6215861	14055129	15336207	9868816	16090673	10174785	10321662	16853600	15269639	32789334	16879134	13816401	11809818	13491818	31443448	5601964	15941614	51543500	12329267	9233321	14608087	15155605	9908616	10619972	25389558	8189590	14862800	8063294	19139552	7526293	19799350	15985047	44368592	14964414	12278834	9159722	9395471	12867337	8559196	66412708	11207878	12943207	35015892	17980570	9572717	9416819	54265264	10691413	8619520	32333216	10662344	14399114	12337944	14744734	12522357	15991356	12531036	13576241	25647906	23648760	36607024	23722010	12447506	10409987	22981160	5086725	9271770	12336423	6632691	10375502	32428104	8573846	6283770	9236070	13942178	15491232	16844288	36717716	13690013	22288386	14238373	11893099	16163425	9342600	24676032	10665812	11068151	13713194	7550514	7576274	7939256	8271595	16952388	8126486	17625894	8347740	10732399	7804632	17414130	8457081	16403156	12552339	12846066
arachidonate (20:4n6)	171089504	203987760	205972096	132618640	176011648	249619120	186253952	195284192	203982208	261705456	245977312	257322656	308408224	215283648	220149952	160456608	285516096	366513792	128956200	237218544	352001280	196264224	163507264	134966208	204025680	185696528	213964720	582704256	272157248	268049296	210374752	314331296	164822256	291401664	292959040	336834624	281915424	177079408	174429168	165546896	201599264	211059584	324782784	235656944	176312784	315002656	261820608	195812368	148780640	266087856	388876032	209687504	284032960	145383120	254227440	219428112	286782336	310832832	241490032	191942752	228226992	360518976	360961312	338768576	317190592	190897248	182850800	245457024	187548432	200865312	185792528	141783536	139649680	312856672	146255328	96360392	207084240	174354192	211699280	309170784	531801376	220446048	317301952	225640304	233801056	342527264	201649760	357983264	280412192	260161808	189736224	172849536	145638000	165491680	132246512	252204512	189332704	304487040	195369056	233580928	114602808	206912720	186096896	306450560	249624304	199050000
dihomo-linoleate (20:2n6)	14991726	16554821	27652250	8867061	27941700	27842000	15079130	24924240	16794950	17666830	30606508	27663696	65120656	21332630	22194658	21989722	18660876	37631124	8812080	36896636	70505224	15107657	12494300	28398866	44549084	10912409	23333548	38546128	10893187	23436316	19214010	38839964	9716436	33761980	21858260	44488448	25563782	17915002	11764004	14137617	31570882	13373955	58861540	19157324	26566294	56705020	21854862	15217938	15305419	109330272	25455516	13745554	64679668	21162734	17469618	18860386	20694420	16582438	31647266	23675210	16733946	52003384	33425310	66780756	43081492	23716584	10679995	45823020	13093922	12098029	11765224	5792957	14966828	57003404	13395752	7768318	13803878	25124454	19377296	41321220	64772640	24307822	37631172	36287620	24927992	21538584	15939533	46008200	26059696	22059798	23937814	13045651	11490126	11464284	8844159	17867996	11010287	37317660	9215726	16889282	9503107	23814786	20204768	49694992	19110890	19907298
dihomo-linolenate (20:3n3 or n6)	29903858	45850736	42786576	15929416	41561900	49131204	27032390	29686438	23634136	41760652	41159124	40998136	55375884	34902744	45227824	30167620	40686004	72225472	17372256	43580052	71797512	15484650	23515892	22768074	41585924	14803565	24510274	52606872	31211562	37583736	22767730	33882948	26535886	43411116	41314040	54694956	28796080	22602564	26415686	27444216	34363700	22110648	61154852	32588566	33938340	46330040	36559140	21346818	43037100	70594088	28287308	22898740	48813140	26770682	36550172	29865916	31101592	39489648	42229316	26609534	28470978	56072608	66733040	56787452	47519920	33202148	20870612	67752240	24645954	35175068	17665198	14249116	25546380	39765464	11386310	15867793	22878080	21674940	24781714	23103770	57204956	30064292	50743072	26948638	25651558	33595264	24223988	51028832	36572112	23550130	27721180	15507871	19177958	19056652	9567894	41086764	20778300	52303984	21686886	24971228	14095731	56049372	28504234	44368028	30023316	21229558
docosadienoate (22:2n6)	734713	806881	1010161	402382	936162	1214740	675169	1006268	657529	712526	1191706	1152082	2146659	849987	971540	699660	808560	1408230	380606	1454924	2700177	767276	495716	1123412	1181095	519228	789687	1431945	468308	942982	936735	1811177	439959	1135029	850205	1498255	917635	813355	496701	634890	1259833	685884	2085553	792433	1437689	2260638	836894	616906	588810	3885122	769495	522719	2778772	1134555	877945	914019	965887	1223345	1544531	1134029	750852	1819679	1212258	2318420	1578619	892581	478507	1694673	523209	520498	527080	286971	633042	2329116	609295	372788	526374	918932	1000961	1891883	2633419	1116220	1268970	1279467	1080261	1069840	535774	1710712	1174059	840975	961153	532866	521210	572558	455350	776048	538835	1411845	458214	695580	459508	852432	730145	1482155	815943	923443
docosahexaenoate (DHA; 22:6n3)	15175091	20041366	22365898	7631147	31403186	39366144	21708340	14479970	13797874	22110708	22152770	24480884	38945836	18643412	25780458	22267100	32060728	62449700	8524089	33913420	49679376	10416045	10904576	23739982	52621012	10527515	30507728	67021116	38388620	44465324	15145107	40288056	14136020	85651696	25319796	39850856	19741666	17255024	7704536	10823665	34669712	10112057	50127148	54692220	26984358	29128498	35506756	18599942	21558150	45326880	89730936	14890402	32184666	18634742	21479404	40297572	16382484	32959002	38742384	26552738	13156107	44962748	57630704	44099268	38478828	17598440	12662645	34768096	14664338	17255800	12994144	6754728	18766912	33342386	8029789	6261728	18372802	32953464	14548079	73219424	62507088	22231964	57441488	25491484	23590236	33786116	34753152	33331050	19741212	23859958	21378414	8873310	10618304	36041104	10745248	24112088	24037434	37466196	10933133	24619206	12632437	43731152	16590868	154676128	24475432	17416280
docosapentaenoate (n3 DPA; 22:5n3)	4024531	7864463	6908807	2668710	8113486	11287912	4332086	7717138	4931261	10230139	10564630	7035353	18744358	5805249	7867190	7479907	8475765	21110196	2669467	13233128	12444630	3255880	6157075	7107332	12030918	3434430	5055750	13462578	5094514	8960259	2711515	7232351	4221490	15466209	6899763	7309259	4028316	4919298	4001971	4883944	7190248	3624406	16754365	13231510	7283391	9992083	5028974	4183199	6998865	20221636	11183562	3185880	15773358	5831125	8996763	7947820	4490361	6443969	11267018	5157981	6018343	14728558	19747748	14201477	10617480	7308389	3086055	11230307	4808813	4393625	4013634	2246551	6035102	8266931	2518236	4211368	3184388	9111382	5023644	10900940	14585575	7027364	11416709	5197423	3725191	6796387	6567120	10681258	3830501	3330127	7049133	4043822	3519405	5700309	2638279	7117422	4825373	7869281	3654995	4730915	2390437	14364198	4464093	17872590	5483862	6012257
docosapentaenoate (n6 DPA; 22:5n6)	5473019	13727047	15427577	8166958	19977308	18013346	9771215	10717358	7100574	11347876	16838792	15051873	30532226	18749826	15402401	10992574	16434998	23498900	8137153	12402947	28972566	5750792	6555640	15342944	11072826	7361584	8989880	33442600	8024280	15450237	7337567	15600395	9471614	14606271	13436274	25357598	13971072	13623729	6950161	8534973	16922670	13349651	30957514	6510622	11558191	21997746	16283252	6813168	11294574	20236622	8299651	10153477	25750576	5689440	12372477	10751254	16919508	11287788	16143586	12522226	7948241	17483360	16971290	29493756	21647856	14467349	12485888	21514838	9405164	13833430	7354341	4979991	6625051	21719088	5373865	3937573	5311713	12737895	10190060	9120929	34588312	11396813	19110388	11449536	11554545	14729460	7273641	18580506	13171155	12580122	18125750	5291956	7724817	10280857	7584913	14805550	4025323	17005768	8759388	13445509	6253398	15103904	8412644	11575633	11475904	11628360
eicosapentaenoate (EPA; 20:5n3)	5158417	6023946	4187536	3195463	3790232	7220875	5104991	7355664	3361467	12510537	8697903	5042320	8165657	3887645	6060821	6011984	7086471	16632030	2443686	11739556	10577303	2743646	7080206	3397189	9441927	2306954	5495654	5607668	9832753	5346118	1264458	4637229	4262919	13800396	3921227	4428753	2254737	2444228	2994909	3340996	3136071	3552955	6839154	27139908	19676734	4353774	4697766	3021186	10235829	14867460	15237330	2573626	6861627	6351862	6311129	9838430	2867370	6651008	6325058	3505855	5308081	8142013	19091272	6808258	6185144	4163759	2687985	7827316	3645464	5384733	2874375	3092822	4979734	6384527	1603082	2981796	2549343	6337934	4567048	39310108	6532203	5789782	9006600	2694321	2885713	4042793	12928055	7055423	4157387	3293422	3179169	2539481	3011483	17477662	2373256	4881897	5564569	7710695	3292961	2953691	1788314	14668838	3557525	18629412	8255181	3778819
heneicosapentaenoate (21:5n3)										47782								83253		87988					161446				33769				41724	154875										522641	727158					46217	110275				68996	381700		182181				51027																67456		701670		89311	124400				135218			31308				253125										409648	53985	
hexadecadienoate (16:2n6)	1847844	1565233	3275119	1136292	3238472	5585659	1797266	4796252	3812526	2341992	7025477	7900421	12519494	2995552	2471743	4541938	2513354	4959964	1404605	6377015	14156893	1488705	2481045	7241076	6851007	852328	1866620	4252737	685943	4301410	2324851	4961714	2027603	7180874	2697395	4844200	3227537	3836549	1377442	1617574	5352652	1022010	12820064	3312887	4444870	9837819	1880675	2014811	3849043	15253784	3488719	1618039	12104783	5258138	1574746	5452001	1790719	4305331	6843940	4275752	2031503	10869722	6805722	15236449	7610579	3293398	1737232	6434858	3631180	1414560	1282851	933894	2113570	10893599	1105163	943941	1229737	7315026	2227655	6934186	6273158	3323380	10506359	5597894	4869856	2569602	6288247	8642485	1517003	2546873	4655223	2321956	2059832	2046387	1044943	1499474	925882	4750944	1356466	1545448	1211238	8631292	1659929	12676715	2071763	3886935
linoleate (18:2n6)	721306560	1009117568	1095800832	361890656	1298077824	1713750272	941267136	1047869696	1050987712	874106560	1919450752	1299047936	2946806784	921573824	974365312	1150335744	1113635712	1735274240	407638816	1900555392	3596545024	798219712	659705152	1962501760	2608182784	527346144	1088461056	1252658304	551437952	1500116736	1222745856	2341917184	750635456	2771504384	1013876928	1590285696	889054784	956006912	580657024	582962880	1594163200	518168416	3826075904	1080912768	1861537152	3753163776	1212439552	869611456	826462272	5062743552	2174745088	611912960	3820685056	1257423232	1094637440	860753984	553308544	943133888	1816255616	1033958144	488020800	3370100992	1862400512	3855693312	2683194880	669604032	506541920	1920692096	411956064	382992096	489648384	324979136	911293696	2964054016	640265408	438357184	557035136	1607177984	992219392	2762132736	2012491136	976825280	3039910912	2085418880	1615630848	1817027456	1722509312	2554346240	827648320	725885376	1072257216	731615104	552725824	784044032	302656288	582246272	565943296	2219540736	453733664	784539712	606974656	1091255424	838276864	4491009536	1012951552	1215076992
linolenate [alpha or gamma; (18:3n3 or 6)]	32053436	41458952	47156084	17598076	60110608	63601048	33646636	62919204	57983044	49335176	141987520	86414696	168731056	30651514	23931106	43939072	25382038	60284264	11411876	94157424	175002560	36052736	56660892	99782336	190287088	11875220	82854936	39596444	16838108	57197300	61956820	115797440	42812996	120472024	43412312	55683904	31237086	38807560	16086988	17631162	57257128	17108556	165574096	56085028	55483092	141486688	39205444	31344904	60034192	298344096	70046600	27598286	158839040	53608488	64269932	64143892	14359637	28695454	66129984	39849768	19355174	144308288	85149080	190874736	103189424	23742162	15950593	61309004	19283236	14861298	11099996	11389532	31221444	133856816	13214897	11741690	12769740	90222968	23427800	169913904	76483624	43043476	145192064	95795512	78860208	87717840	123392088	150293392	61216328	24307638	51672588	24326940	22640058	53798640	8404887	27468474	15671218	89380040	18151768	19378090	18885402	57347312	26667746	179903040	70599104	56771452
stearidonate (18:4n3)	422000	334506	442395	437616	343775	963301	447957	1695782	862777	1010763	1681881	1323137	3046484	613396	471257	661517	574585	1643663	214396	2122854	3458057	267863	971695	1546604	5227756	200727	1066661	915339	272172	1149299	175587	1127464	856258	2820698	540884	741973	173303	542295	179147		919651	282851	1821867	1878926	2830729	1351640	393301	330291	1530925	4039811	997481	306536	2257796	765055	1047551	7420147	259408	2192225	1246165	697992	505667	2146467	1429260	3106525	1652092	555005	331692	937407	319153	661017	303038	363247	413977	2219199		223054	166300	2027343	530304	3597128	1386926	1387399	3078079	832300	805149	968611	2463631	2243028	807737	775177	911033	306790	537669	3018374	609676	410740	306124	1457079	848083	379586	243563	1757714	311354	5265351	2051347	844783
tetradecadienoate (14:2)*	2092953	3723467	6230184	3138647	8514403	8017528	2901982	6291707	9145439	4070966	11276527	8002597	21301578	4569081	4519792	8795377	6519754	8721032	3261114	7788778	27400342	3374642	2448916	12628042	8236690	2593063	4807362	5536406	2735871	13163175	2285489	8992848	4111444	10528955	5524500	8021922	5591320	4698180	3951048	2069670	7977014	2796408	15413506	5611802	10354405	32398300	4612619	3441436	2823953	25809736	18642150	3402758	18031666	8837658	6046550	2923197	4635625	4159768	7821208	8433383	4163973	13750472	11941004	15527173	8812475	8406328	5711122	13019286	3228431	5419130	7593850	2242159	4885748	19928810	3017294	1546065	2390122	10024778	5852346	12276365	8115682	5623539	22905966	4877435	5797740	4645427	8851174	17094484	6252151	5934315	6701494	5742782	4278988	5156053	2396338	2943045	3168787	8834283	2733912	4095585	3919751	8317827	2469010	42680952	2841469	6724840
arachidate (20:0)	19686610	18945044	26998680	12423404	19422890	34817584	24483218	15131265	26495440	21858732	38678500	21564302	26562768	28500956	25909976	27277496	42571472	51014044	12572766	25520554	30152544	26355934	19788372	22329434	31904340	19858652	21327652	24469668	15886259	25159532	55119304	63758160	19774154	33507698	19047068	38688304	13580551	22447398	16966894	14940347	24029458	16481765	44232564	29935084	54421100	36888660	29871206	23056102	22606018	48291360	33315622	16264931	51481792	20626982	28119286	27386584	18707916	41521252	49788560	30133836	17143132	40146892	22440230	46304720	43389676	16974444	14132274	27118994	12225032	15071263	27122938	12895188	21037780	35257312	24512694	20736106	21494728	16715881	43179856	30755728	51907040	20803074	30530686	37764484	28640448	57674120	24175338	27232428	51932128	16879036	22187172	14002124	18032430	29040614	14437960	18484662	22511346	24460650	17316288	24758024	19735050	18093288	18148196	40460088	36630808	19779994
margarate (17:0)	30475588	25957320	53004024	19946480	47288148	87000344	30374266	45752508	32173924	39687540	67960400	45362000	80146872	31909090	26388740	51880468	39295140	72583816	19471750	85079920	101310720	20004362	36033304	40691744	61634788	19884280	26529524	51252828	15209573	34847172	25048028	45396840	17616906	64710372	28274798	48693892	25672082	55193096	18930836	24719356	48334464	20641884	103937472	41273200	36968256	76755168	35844140	25718540	41716316	122022016	33255032	17374432	132341600	54679936	31884230	37068052	24328958	28421852	113789768	36648648	32004650	120194288	88025568	143831632	74578320	36350272	18666696	59256340	37770932	24806532	25784172	17730938	39975216	81157456	17757748	21402168	14968418	36012988	33138166	42383864	96899880	37045716	58006876	37608856	29893754	42446736	33194886	65149832	46936340	19184286	56824840	19779298	35517316	29312760	15413191	43323328	16888944	48982936	21689044	24040404	22557502	58239604	25567328	58383252	34559356	43228416
myristate (14:0)	95678320	95796336	139941360	52625180	122632056	274559040	105651792	181553792	113234960	98292408	231553808	131677584	341898624	106710952	86548368	166633968	97735376	167022800	60055360	295992576	447700000	63478420	117605304	216342656	229397760	74443544	97709496	125589864	44776476	163805968	36867640	113978544	49515932	282109952	71632392	105709472	81160560	261554864	56175508	76942368	157198848	68527544	453369216	147416032	150303440	378024768	98465176	91213960	127308616	467137408	154603360	47838132	499077504	287593184	92916304	123588176	66504712	73159184	376913312	162238832	109783328	452276192	282004768	763489472	258720320	101062744	65530144	183103680	117670264	56625984	56020372	59241208	140752736	392863392	57096344	48991432	29480424	197535312	98484536	203096208	217294464	88645536	356654656	97018408	126725656	167321664	194904256	274464160	70669456	46898024	223394016	79375816	148813680	90418416	45365676	127072672	58663544	215301312	53679608	68457080	72512512	224144720	78094496	312732576	133386816	183221056
nonadecanoate (19:0)	4209513	2417156	4429989	2361140	4380953	8596278	3623703	3660366	3947098	4606675	6125666	4379982	6195529	4275602	3633060	5024015	5476133	7551068	3003531	7166360	7879188	3229618	3636841	4056865	4690472	3454383	3098918	7297833	2800501	4163310	7913023	9019809	2789124	6478121	3922046	7712764	4053012	7969597	3161801	3984117	5968683	3153004	10909787	5406303	4527828	7256529	5046243	3311198	4576710	10015541	4472947	3034336	12515017	6800219	3362825	4434262	4094951	4710439	15131395	5397061	4875766	10216295	8690518	11642318	8173958	5016044	3210085	6296187	6516974	3925883	4195018	2896295	5494044	8337735	3209019	3134367	2257491	3780554	4725145	4802494	13113321	4572210	5266411	7338574	5095744	4873729	4286210	6391842	8324520	3684711	7935815	3037166	5234021	4339227	2472657	6802823	2844465	4987261	3369693	3998308	3236172	7350401	3693645	6426544	3911664	5203936
palmitate (16:0)	2073810304	2606561280	3228924672	999177344	2845640704	4699578368	2635598336	2207775744	2298110464	2258270976	3864002048	2799807232	5188918784	1806349696	1685761664	2570115072	2063082112	3641063680	1004062016	3745947904	5358082048	2046054272	2300954368	3770352384	4485105664	1374702976	2652718848	2396498688	1285874816	3525830912	1851082112	3406561280	1365479296	4686700544	1559348224	2892183808	1325931776	2093475584	1186623104	1452538624	2785576448	1275678336	5183285760	2220784896	2878384384	5042739200	2211834368	1908751232	2212478208	6435319296	4340584448	1111447680	5566559232	2692882176	3235630080	2477357056	1382437376	2002696064	4043504896	2191243008	1453368320	5859639296	3226693632	6554525696	4411310592	1610790144	1138928640	2964670976	1261733120	1273751168	1361858048	895933568	1876022784	4452621824	1254914688	1160573952	959497472	2793702400	1899415296	3913030912	4031276544	1688345344	5387081728	2720284416	2223425024	4724423168	2931859200	4182430976	2315407104	1222848896	2252847360	1365933440	1318635904	2659371520	1137208448	1517280000	1302189696	3608184320	1300659328	1655808896	1342069504	2297874688	1533230464	6178502144	3472649984	2279958784
stearate (18:0)	1302080256	1094685824	1481633664	762876992	1399437952	2135795200	1332516864	1119040000	1183090048	1288358272	1752457344	1333138048	1955467392	1125021824	1051864192	1250164352	1258175360	1990454144	837079232	1794199680	2484096512	1209149952	1002264000	1221153920	1731696000	870989760	1196371200	1588849024	921911104	1427972480	1396527488	2059144576	861334080	1614512896	1011054976	1930823296	1109016960	1341286912	841180352	881191488	1296239104	800211968	2513003776	1880528128	1559728512	1929308160	1269851392	1248593792	1277449984	2817278464	1564355584	806124544	2394275584	1571129728	1356128640	1101329280	1020125056	1082705152	2475057408	1478295296	1134697856	2433793536	1957967616	2275557120	2022593152	1089755008	778662016	1716208000	1035913088	918612800	960764288	847501760	1307759360	2049030144	944292928	765330752	710780160	1053749184	1334247296	1650875776	2231389184	1110941056	1879549696	1544250112	1226525312	1788859392	1235753344	1812778112	1474497536	917375744	1378694016	892179776	1064660288	1174365952	813985088	1270236800	975230208	1618311680	879259776	1160979200	1229947008	1555732736	1164461440	2126004352	1322954496	1159300352
1-linoleoyl-GPG (18:2)*	282368	329580	230557	135930	257470	490916	252071	187819	144594	233864	395563	302878	478411	153461	379999	194731	231750	349859	95985	191478	271312	270376	157225	218988	368787	279962	263551	266436	211150	366341	289585	384420	241540	341462	294526	231794	260806	190004	233038	146738	322472	192549	259551	184553	273529	215331	193658	261089	195264	272152	247460	262319	493553	276022	255110	234275	230848	289941	330426	193177	135182	298902	193998	516019	436964	141518	147776	283095	144506	109652	152933	111723	205984	334390	264730	346815	148489	156555	316776	250285	189825	203592	424177	267968	246006	582735	253505	252579	164938	337226	210029	155192	171981	276883	165695	172534	242805	223707	240421	182385	215085	159912	228633	223632	379539	197464
1-palmitoyl-GPG (16:0)*	438703	647279	356998	221134	276747	617168	405750	267158	273328	371260	387389	325975	307275	241660	629603	344758	456937	589389	164268	294934	247452	380257	372454	211503	305655	390802	501990	409195	400923	426704	272570	329769	248237	376370	299930	259813	224320	262186	275990	311232	313789	344010	267758	290526	248242	209709	253039	278073	351003	198643	342139	225979	267427	252410	538102	462598	339803	302215	353497	278048	298298	405431	291609	412079	433122	179973	208493	301245	268992	222073	228833	286188	224374	251626	397046	387937	139248	215968	407354	306729	295879	325455	502792	231527	224306	773342	312640	224669	464880	305187	245700	154783	317751	557649	198655	300263	502363	233283	330736	279378	234388	228464	242887	255792	518281	196015
1-stearoyl-GPG (18:0)	131915	211194	259362	121184	141808	277643	108707	91229	85655	182372	175888	158689	90991	153489	294079	209124	165449	308915	108217	167906	120016	148432	190820	93223	89181	114024	174251	178374	135864	138373	112105	137361	105469	171182	133054	112541	104421	74956	211126	98342	93139	158770	207026	255195	135916	94785	146889	136542	190867	84606	53559	107853	87268	117485	100989	205423	161799	147407	170834	148378	201124	139134	192342	212662	217707	68795	116653	132681	160508	156724	110235	132113	158615	73747	143161	186313	67056	103214	172399	118366	125412	202277	170440	152442	137133	428048	164145	172246	205091	169818	119390	60337	133165	163097	98865	249026	205744	127089	233540	105586	138014	112269	95974	119294	214983	111157
10-undecenoate (11:1n1)	2970381	1857876	3760650	338176	5967023	8372808	3663479	3172042	4612159	10459065	6660292	1585784	7379911	4370195	1063138	6191582	7838988	4535424	2383068	4369506	5089076	2748291	2780703	1978930	1123448	1218928	991984	3442808	1822617	3218600	741270	2128822	817493	3584180	1389076	3050146	2081771	5685924	679227	2591030	3578798	479802	5666530	3799065	4171345	3202488	3288721	1825137	3561995	5493282	2256768	325096	7947961	8499865	6976677	4009588	2796604	4013833	9326737	5504371	3781131	3339773	9727988	8245985	2900759	8392122	4018512	1147361	5954992	5115480	1492683	1031256	3210890	3663819	1132578	1606529	1329684	2572787	2578006	3595988	6993725	2668548	4029615	1706094	1157623	495265	3514985	4028919	330286	1829756	5852329	3418677	1301320	3243417	924655	4727357	1014714	3256711	995868	2571535	1515129	9128564	1316479	3070504	606852	3690297
5-dodecenoate (12:1n7)	1780485	1394386	2762879	1055510	3200591	4005746	1347864	4030667	3324392	1622122	5049107	3548921	19435794	2383809	2360591	4245912	2560617	3271682	1181283	4220262	15428048	921634	1317979	6169425	3813463	1370750	2060153	2804982	113013	6280037		4241052	1129299	4396345	1263595	3982772	2662003	3796832	963489	1110496	3965447	895895	7658483	3395346	4419427	14014024	1937777	1578990	1436157	15135367	4256015	803324	14154404	7796889	2270488	1429858	1630136	2210819	5526205	4385298	2492030	7706920	5541998	10762480	4042828	4686251	2040610	6044662	2579903	1859832	1347759	901376	1918758	12020628	867279	265701	1619484	5443213	2424297	6484225	4610264	2016710	14245319	2181812	2735509	1682494	3667961	6808177	765027	2323485	3857074	2015189	1779667	1790108	897742	2198132	1077430	5383013	807060	1484804	986244	4878185	1296879	14157712	1108104	3732122
caprate (10:0)	12408353	13072751	17651502	8803023	17332704	21957162	11034238	15257897	30765770	14307257	26677206	15907819	27880582	11939473	11543407	29046118	19854342	17928934	9557538	18300948	28623740	12444218	17022358	23633046	12883328	25046438	10947853	9687639	7938659	28319940	5196709	10771156	11867268	14530788	10249669	10651575	10866516	66989044	7205553	7537332	11378291	8481263	21158564	19621350	11984972	29717266	15910616	9119789	14837411	24470288	73213208	9499370	27428954	27209608	22602184	12747205	8399640	10289648	22229504	13678414	12016791	31421156	21712206	32611526	18412458	18463324	10837364	17021396	32363164	26623360	11242722	12248642	30527728	25487594	7450850	7294099	5346133	16162874	16129041	13069928	17767830	17196068	36261720	6780896	9110429	19721086	14722871	16275005	9960268	9322217	35380652	10006294	21775986	41614540	9032057	44822328	7925957	12743516	9140640	13200252	8172056	23142868	6648892	57708240	33517696	13709690
caproate (6:0)	4123298	4480469	6585289	4248540	5147875	4936455	3996473	4258952	4911801	4302211	5003308	6150521	5394247	4616714	6788175	4753594	6759017	4813726	4658539	4602502	4780408	5199795	5799863	4495347	8216548	5659708	3746624	4336565	4212122	3607014	4873776	3625988	4966806	4364511	6092051	5489997	4438570	7001279	3380115	3663584	4950116	5563049	5156674	4369247	3824789	6096638	4461847	7104844	3780812	5567509	5328988	3491978	4599228	6277693	5516536	5905872	4932219	4747310	5052930	4312473	4948627	4871409	4848324	5871638	4659689	5919600	9270491	5372066	4335339	6790493	5575894	6273002	5285941	5652008	5458026	3515195	4543029	7922089	4707981	6031034	5502494	4752355	4580479	3765451	4483203	6211141	5534054	7046826	6302785	5229484	8205489	4111815	4150211	7011891	6983898	5533317	3731906	5124214	5601027	5413916	4154454	4885758	4160331	4872320	5431408	4228192
caprylate (8:0)	13395214	20012788	17729604	8273406	17721698	10745537	9757978	9141534	33032808	14433639	20321232	12130721	14150386	9527345	13024861	21685664	22879608	13881289	6334991	9971642	13540222	15112226	16832200	23858054	6461532	26744932	9036530	6076543	9963412	25736060	7966493	8426041	14105762	7039685	10064876	9786050	10570812	52749796	7767012	6770682	10816675	8829461	7778251	11552783	12992154	12718115	15529989	7957684	11455900	12543635	43248212	12848671	21575742	17403272	29543332	13361530	8323541	9010664	8346816	6849362	6577173	13188207	10126631	18773692	11425298	12509971	11586483	14729442	19741188	38490460	11888773	9339083	20821170	12032627	8964320	5810423	6014009	10796672	18240640	12343695	10770647	21005318	20871304	4857547	8488054	17674942	9705682	11523866	10862549	11913959	23708696	9441619	11849283	43886432	12824523	20959680	8940945	7997629	10577270	14806395	6707706	9557433	8482200	28046462	37209900	13917645
cis-4-decenoate (10:1n6)*	2863637	4972247	3678890	2079811	3454729	3616374	2981742	2967937	10617620	3504346	7603675	5317534	9278616	3016432	3720295	7741646	6858203	5634374	2229029	4481943	12835904	5383112	2769523	9658494	3682995	5598767	2583269	2185516	3673021	12141696	2800997	5016255	8448842	4470452	6746284	5797777	5221708	8370398	3973817	1755322	7890687	2229502	4000358	3243494	4741456	6403720	5539044	2722111	2457076	15060224	18171398	6727420	17217766	4290900	8303648	2988160	2441237	3937487	3406592	3427336	1639466	7906923	4842441	7775000	6345925	3709515	5624914	9095756	2429640	5871249	4271186	1831329	3774776	11439141	3009569	1236681	2500455	4934750	6829089	6539277	3836018	5995148	11446425	2199824	3071560	4288167	4397974	8594153	2760475	7495287	5270857	5794904	2559558	8214380	2707114	4184720	2752339	4111313	1824572	6276640	3204539	3875838	3440935	23440740	6523058	7031542
heptanoate (7:0)	3586379	2280666	2818330	4072543	2576294	1589078	1637279	1273225	2852860	2881745	1188637	3888904	1117251	2489392	4437861	2631656	5723467	2767933	5503563	2164900	1539292	1869416	2702574	1404171	1598916	3468403	1432655	2471712	4474152	1127163	2468370	1381671	3562187	1540435	2911115	1939834	2800276	2401463	4338974	3215324	1990226	4469290	1931706	3509982	2794325	1867707	2144453	2220915	2218724	1533980	2211989	3320646	1883366	2589949	2951596	2655636	4525873	2067250	1425402	1647639	4760169	1033760	2359409	1351627	1574464	4085654	4901466	3315582	1609659	8957774	8313022	7817939	2796166	1652243	2708355	963970	4258871	1567373	4697899	2425254	2329594	2965605	852273	1509191	1762584	2997624	1725085	1138720	6570906	3087865	3587756	2662763	3172025	3473941	7330319	2409824	2411046	2016966	7137656	3790352	2262604	2193373	2076346	1951689	1307904	1686639
21-hydroxypregnenolone disulfate	263228	356361	421817	631522	1111221	919287	218940	140763	163135	278675	299288	211687	545026	268559	456752	145610	134813	346602	194844	83897	666070	420776	369151	258284	417426	292932	121289	1098082	172262	453637	225660	199358	174073	79750	186849	878634	178321	300153	384459	181587	166987	59807		325830	360684	321684	77759	158442	171906	155695	34622	197690	331128	250330	313411	379510	548601	669028	736482	205320	121919	210717	334397	315664	144141	392974	193350	346433	157704	101513	105011	170348	53413	741961	326360	132007	310868	163745	153813	109159	853023	77435	360371	165642	172231	221639	75884	156448	733774	194132	313640	359990	156543	158572	83326		256904	307338	363754	74301	87038	388826	117847	56235	174454	127887
pregnenediol disulfate (C21H34O8S2)*	6203961	7142718	8302225	4534173	8646704	11757488	6182229	4304955	1639556	4078452	9476201	4924826	8067381	2568959	2942648	3327168	3392435	3969430	2886619	1291414	9867226	12946080	6067887	6014748	8779102	2931866	4265124	38743084	4754543	8913563	4480472	10739410	3991349	3768467	8748742	17044914	3057745	4563862	5089470	3397510	1535577	2503820	2912037	7743962	19578560	6581040	1372417	2178325	1169944	2668710	1682233	7272579	7178504	7199040	7466603	9465933	6943602	6083307	11699279	5177158	3090168	1758906	5608670	5391697	4179643	5395356	2936693	2449151	3177710	2159982	2671189	3015918	785300	13058139	9291676	5028202	7154956	5063515	2658705	6939848	30878296	2222620	10089617	5169816	13753481	5213681	4377986	17051370	16383398	3451817	5234129	7288564	2441127	1660210	9010630	2100879	7834459	15860916	4519093	1092106	1247893	4563490	2262379	2438216	5411488	3367773
pregnenediol sulfate (C21H34O5S)*	1902323	2076751	4024101	2302922	7029943	7230007	3011696	1544435	966803	2737796	3303513	3199033	5121706	3166875	1105564	1922709	1603497	3141247	2127291	693473	5627386	4828529	2194603	2819949	2688588	2432284	777066	15277200	1830789	3377011	1222696	2450022	915692	1180484	1752915	7569059	804063	2506605	2328479	1488528	1042575	689311	566805	2063093	3438035	2552730	1034473	2003720	1662694	2721663	677375	1598177	3100324	1777215	2330517	2079186	1446051	2408625	4067638	1528397	449194	2813179	2571732	1366556	1166989	3356672	1618383	1186643	1387576	999266	802262	1065334	387114	4457816	3676935	1304338	1850838	1612755	1193024	387026	14765045	500432	2615244	762049	1224789	702682	821711	1353512	6967215	697454	2752876	1937962	1335936	469759	535701	630330	899321	3118028	1068266	774314	639606	2350565	962767	1101921	1162489	775548
pregnenetriol disulfate*	1678397	2135455	2160991	2662138	4145763	4570474	1748930	748386	571099	1323333	4624230	2492988	2913816	1222203	1176720	1296547	1268802	2100032	485565	508129	3526159	3273541	2969821	1657755	2953814	1144235	843921	9101405	780224	3188027	1350781	2384059	1406404	609399	1928454	4675830	1544792	1192417	1979937	1253652	600748	509259	802632	2531774	5350488	1743460	572420	608577	419955	757039	292421	1347346	2479316	1724218	2528933	1711824	3173411	2474136	3545548	1638399	578334	580472	1816503	1542285	1769486	1983747	983046	872612	1215959	698603	935741	458735	302529	3760158	2531147	2004112	2932055	1093851	907576	1004587	7767319	877019	3537606	1256097	2626030	2366304	623246	2504752	3997168	1487878	1268534	2323391	790208	597165	1240668	560957	1792346	3871996	1530484	321604	415058	1772157	524778	391171	1685798	1093062
pregnenetriol sulfate*	1161328	1198059	1635657	1953596	3820303	3507642	1498904	506956	484206	1562490	2264866	2622135	2546641	1641510	753541	1042519	1024846	1908816	471725	428859	3234024	2564286	1798861	1105151	1458243	1539845	290797	5417128	523645	1847495	495597	1200987	625846	331643	858174	2962475	688778	829873	1175719	767246	447243	292687	264586	1297402	1843726	842751	464494	983147	1040637	1013411	162437	719286	1433629	1032466	1408776	1034092	1297456	1521421	1720434	1035974	203004	1096059	1561176	557351	1061038	1773847	782649	671908	901351	639382	464610	255231	280662	2420492	1981374	1140770	1202703	503226	910432	167337	5417364	332624	1447852	411039	899253	687471	208779	647850	2894517	512777	790560	971235	652211	247038	259180	240422	698561	1399378	469097	263766	371116	1518335	449100	212640	740410	477547
pregnenolone sulfate	856013	742035	925319	1261712	2580143	2593603	988455	629944	465831	1321210	831720	868018	2572763	1224591	487500	477588	576161	1024296	643174	225927	3035342	1890202	760469	1210102	967026	849566	534882	4247299	996000	1065956	256881	534793	202559	325016	470525	2016549	110952	1282266	1467388	348146	428684	235952		880151	808259	668614	296696	619921	664160	1519712		657123	2914250	563169	735568	529079	1014903	1071722	887736	568075	142212	1836666	979892	662300	327884	1696671	649187	579828	329549	424150	264121	488941	129017	2271786	1041284	258529	644858	668848	425266	100026	4981981	245815	1075475		352669	181042	274163	371600	2761718	105869	1733149	1000692	388062	178541	108827	94506	610151	751513	587267	288051	205843	906248	658449	254146	415237	368538
cholate	1092430	2101459	924101	832760	944024	739819	894513	1372216	859103	592687	1166540	961270	888780	839779	1200178	448159	616959	507307	1153878	431155	292930	1787005	2830618	430060	339366	6753311	304092	1195506	2868345	8833567	2532822	1953442	4456641	1381756	759515	476078	508188	620669	667412	549817	918269	21122272	311806	7792607	1254216	796564	3116682	606734	7062148	331956	6567013	1623211	266198	770627	2664854	3495110	2962484	1212002	301554	674549	717854	982706	696879	824971	1143518	965201	5347647	83515640	2181391	952034	1355271	4201007	1158822	528761	9215506	33868200	743710	232040	1720182	12898356	1300104	1198306	14510702	7761782	2933253	2786289	37255636	393444	4751351	1472125	326110	511420	1069001	9651016	79031320	1058590	11405618	1988853	3233894	12360302	23542348	377462	73116560	1935142	2050581	1888557
glyco-alpha-muricholate**	475538	440080	175978	95214	420318	140673	128819	332386	841077	275735	1301450	461862	783241	566094	167810	62670	340062	136098	283783	223905	75922	891903	234533	92488	110720	752341	105883	133411	365722	84595		139528	289207	113298	118584	41391	228630	495017	417066	106534	214086	796411	66073	331120	369403	66460	535496	231369	265805	58606	410114	377206	157043	342316	968681	1069950	95759	547247	21944	90456	213490	671583	57468	59425	121628	281852	505653	216592	416679	432881	426933	295528	708147	228189	596247	102726	159131	91124	675954	842653	105737	189658	316724	213339	238590	341005	476888	166725	271553	265032	206709	254325	257568	680522	492611		367452	70910	358658	515996	344289	103718	303534	621526	285814	267113
glyco-beta-muricholate**	1007644	3497101	1095850	546910	789656	586002	218866	2281803	7913026	655117	6908073	1113998	7393464	3575790	2130045	121047	2361848	744946	1222532	715909	71489	4877224	1202550	499877	732139	10003650	456391	170200	982524	233008	496651	989483	3054206	314262	431356	141361	1202923	3155938	3191088	940715	2270998	6171840	377878	1454869	1736564	512447	4217925	376807	699508	194937	1058472	2969108	848428	860929	7224048	7617625	230603	1331894	114231	181137	2173848	7903133	106994	548023	347071	4155481	3900332	2016787	609890	3163204	2124364	1027732	4924522	325789	4578254	304549	552184	669734	5075066	4116445	222869	981258	885688	1316053	1913484	2119646	1890674	346802	1075789	1150312	888495	1968911	2181778	6720810	7036317	669734	1787664	421535	3542488	3519451	901546	268546	1629423	1598411	1646926	1544954
glycochenodeoxycholate	72169344	54934552	42076192	34314212	147223184	52122248	53640080	55462104	45334852	68052104	96948112	99783104	71967296	154486032	30730146	80443056	54801348	45307680	51402736	16875132	16432495	127727464	42878096	18130184	16707388	94022272	18534744	3960514	70585248	19852728	19494844	16610310	67672024	48243040	69513504	25475836	28496186	110087872	48487304	23066842	30119378	79955088	22848592	53368004	83901928	47683168	38100512	49028964	85653232	5755672	115819200	52467544	23338390	47701380	89117472	147045616	30047346	142407856	16229616	10808319	20837734	130910168	25587788	12284594	40357660	28850710	85722248	10314858	160124064	109955912	106746640	98846760	77569680	32397254	115238784	40827096	37783928	8944547	97544584	102046600	21976142	84846472	101488768	41826812	29877104	70554192	119586064	78713528	69727696	49047176	38089912	46386380	40351352	128730640	33700784	29882738	49312312	15396124	90272056	37338800	53955748	59450240	62565936	122806600	91450048	108697928
glycochenodeoxycholate 3-sulfate	5713710	2350849	1620090	720166	6025011	1474740	1399908	1096809	2637095	1693162	12312335	7487658	2241174	6354931	796193	513060	4801949	4418849	2411476	2239209	2330255	3688573	2802617	922712	1841233	2431058	4555078	1959334	1807601	1380584	777487	1178369	3609093	1421818	3879747	446293	2571522	8300996	3881689	1092814	506752	6984292	2158332	3199075	13946332	823959	1719040	797430	1598890	1237815	5362107	2733236	2891189	2515070	6769437	8304294	1112038	5314238	555916	949929	1683819	3859960	690042	463363	1277238	890887	2939164	1303566	4558927	2265434	3513474	2150946	6898292	4757897	2939731	1293763	1472291	742058	3295019	19201388	1558179	1262728	3670455	2012024	2855173	3494158	5630802	5764071	2236935	3684392	5409330	3291512	1997102	3223361	5087069	1956863	2650397	2168845	3015136	1081785	1918834	1038586	2909943	7754661	1876230	2305296
glycochenodeoxycholate glucuronide (1)	982659	1072089	202249	279171	394805	727601	198568	264358	886117	1102089	1342510	883179	662575	868531	442109	189831	465579	377960	466542	425656	137532	1121718	324211	287205	857394	948350	236438	79494	732269	749343	1151696	1785832	651076	368329	970386	124802	312582	516462	501230	255022	205092	477417	473679	919174	869829	352919	1206310	254189	703841	133950	852860	457284	263070	770750	3497916	496383	156583	475361	127932	75009	185775	713065	491730	279150	676095	485574	780726	297795	388500	523639	408914	400746	1125418	261516	1978062	546894	640066	214662	807318	1897424	119085	368347	459108	1737969	2472116	635009	893268	1212519	498077	521309	433178	667484	655257	777593	1385339	542801	1055865	233245	656996	884246	428792	288654	375639	735620	711434	336178
glycocholate	63191016	22688732	14448944	23678818	55086456	24288916	23523428	39115912	41181616	42003108	58750228	25837244	30881932	34861672	15575842	23238452	21828868	15990842	22704570	7227359	4021060	69144800	24452700	8345751	7148060	48118892	6194021	2901462	32292730	3531199	4814851	11330664	31877682	13237312	9310415	12469823	13501790	62492908	18140184	8699602	16251686	68011352	5921520	19816242	34817052	12503059	33441268	30541564	33520158	2299118	24654626	36810076	12916931	44209652	51845784	105917472	27020120	73018488	2487644	4099149	12927912	74212856	9225695	13935748	12565396	16877476	17676782	17853530	45317824	53623612	56592484	48007576	39699632	10530640	49725408	22349112	21003708	3834089	59067292	71218336	8236217	47040448	38204456	36399124	24065246	33668576	43468524	12795314	42451204	26090050	24894596	20358270	18679412	108700016	26958688	10227101	24624126	6101033	47013912	33704612	48471552	12934367	37557244	35959384	76566528	44190056
tauro-beta-muricholate	261459	275898	269578	169332	239805	220594	30131	377483	3867895	103031	1401640	102612	2250784	856280	377752		1579756	185841	266156	306315		650947	85530	316025	109007	571229	103963	98120	386809	45544	37572	191280	540442	75878	88726	25438	797156	3068809	1427687	180693	701898	1138796	132342	510555	707159	46988	894111	217465	78493	15497	375380	1705151	540870	436016	1100214	4513096	107156	715905		24636	257476	2770462	12830	199397	30055	1449769	1710940	942101	215920	2524362	1355149	317427	2217974	95423	563999	45434	118658	545065	588500	1099553	67373	151475	341121	232614	436145	452157	381166	142302	254027	678808	871344	663638	463541	1577446	2601504	273287	681070	132937	621052	922432	403032	47911	344606	716263	678313	580874
taurochenodeoxycholate	6712296	1240813	1240731	2561554	9834931	5775400	2817452	2167762	6546840	5537440	4153094	3395494	5465121	12697909	2647986	3380341	7654972	3392895	3075585	1731174	950770	8736276	1021648	3417773	969604	3533594	1631741	493122	10786290	1280284	441545	855276	3434526	3044681	3597674	2054217	3524434	22296404	5112190	1086534	1697642	4787397	1604243	5858075	13119763	2239011	4259704	7954434	5206244	330686	7323922	4767192	4113670	6667472	7058632	17981630	3770967	14983420	1729323	628814	591105	23751896	4565784	1074098	2177764	1978234	10050915	3337335	10676528	26532852	14531382	7849692	10004598	3707412	6429055	1303287	3091777	2067737	5202243	9444052	1615733	6053133	10355227	894917	2372508	3293784	4811895	7736490	6100047	5897594	7969545	5058650	2831352	9829821	4212826	2554287	8130298	1764107	7008741	3034369	9088060	4685002	4615828	8520933	10120959	20167312
taurocholate	5609906	452193	537689	1621730	4952204	2268402	1436208	1584701	5278813	3485195	2394697	807186	2357799	2726662	1072900	1228825	2935577	1117934	1058082	618086	236577	4305477	410702	1239605	299488	1454046	430959	179158	3809692	231738	128811	493417	1683152	602179	382678	923824	1876847	12373211	1902382	416953	609465	2978814	396659	2012130	5942547	595643	3508520	4319866	1935092	84517	2258903	2918083	1862048	6608838	3791588	18502132	2571535	12450579	292271	193893	430907	10925496	1237208	963460	641141	1323514	2138147	2640966	4084591	14363731	8438634	3677249	5657573	712260	2123620	674897	1807523	645027	2610691	4886140	553873	5008468	3173580	1299340	1599763	944798	1690043	1346434	2731067	3918540	5166531	2412721	1243204	6982563	2682471	881687	3594243	600521	3503220	2811787	7104703	981865	2363599	4349536	6358996	7566823
5alpha-pregnan-3beta,20alpha-diol disulfate	354615	633662	457939	560861	967798	1260120	444037	285766	130664	381131	694952	386814	595502	255994	243220	153386	326115	399866	263313	114860	1333414	1099780	226781	776063	1042140	488198	443612	1429235	844716	858425	556581	658673	273256	351330	411356	1821988	341459	1170350	563191	234560	436863	222103	173399	595572	1316099	816304	299595	159794	86203	390033	327436	569612	692000	325954	725802	552271	912837	831778	1051176	365526	202153	251151	556487	681108	464765	508428	403967	197480	236082	446764	356797	278815	65336	1804227	868067	269417	910326	907069	385015	753218	1361877	264554	754921	835273	1355036	291136	327435	1319778	2393413	461516	1308211	1066567	337106	496439	552841	242705	719005	1133826	871269	402040	175498	398051	372879	344979	299771	345850
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	47309	146798	122628	147334	462396	363233	126304	56553	60020	95832	163218	116430	203514	176475	71772	33382	83747	165090	91442	39220	528175	233088	43269	201404	195983	224409	43609	417319	122628	171794	85247	68167		59994	57357	533178	42519	450949	162745	65835	168751	41150		138435	131790	201011	116269	108283	115121	176985	68021	83155	121156	38462	157088	31634	115666	168950	182453	55349		255219	101070	87954	85559	201465	159152	61636		125369	76208	72261	21932	547573	240114	60587	97473	154030	117890	53532	435354		122628	82246	82829	32235	40435	109472	619895	37785	512638	205936	122748	118147	34427		61666	117011	146381	184828	61733	141823	110655	76137	36832	34185
3b-hydroxy-5-cholenoic acid	36848	59593	58342	50095	64150	117242	111796	66326	162542	83225	73976	68273	113610	64428	69118	65657	164121	87289	103555	78970	75036	88888	40976	90235	85055	151802	40004	112694	106709	153569			63928	86918	49013	215549		113947	57537	63215	81747	75606	58605	80552		180426	139192	114989	54756	95181	84476	56349	53544		105337			43576	97353	93193	48954	146134	63013	41869	88954	49307	96932	137414	68162	107976	84310	84476	79406	81516	111837	49880	73603	88017	105817	191981		66191	105745			65983	82951	76707	182982	63165	74341	74991	70184	62195	70583		75488	55256	140425	132414	81124	66936	95881	87284		
glycocholenate sulfate*	5888192	7038410	5286831	3891245	6589386	9278636	8520395	4539926	3671698	8229619	5316389	4973801	5256246	4872335	3351776	3795559	4731492	6344976	2846122	6806715	4555383	6676610	4180741	6312661	6475095	6893691	3877232	6724633	8375229	10803428	4134864	7141834	4280593	8229349	6376361	5308675	4495216	4414009	6102577	3651347	4454244	5312741	5260855	7515529	9475793	5841528	3957849	4039968	1027972	4515116	5282671	5429492	7730903	5187978	8267150	6443843	4661308	5336810	7011052	8330108	4075489	4490273	8727048	4554334	2869868	3451612	4489991	2149863	3301482	6016338	5737557	2721710	6130415	4718736	4754675	1428833	7609944	5788798	9353669	5514436	5252895	4850740	10101264	3387716	6986486	5260826	11384938	8232541	6246865	6553051	4704132	6928463	4101524	3909593	7406087	3910410	9655851	6930664	6737801	3974617	4064860	3426448	4023713	7515282	5017196	5341666
glycodeoxycholate 3-sulfate	3796615	2357397	679886	1111850	669401	481746	486032	745498	501907	2198194	5734551	4124242	2642365	1470072	924313	201184	4088643	1277945	3095800	688771	304531	1897270	1928291	258780	4506478	3025331	1479138	335413	1304552	1142412	2799728	4395462	3228691	731885	1490078	960192	562779	1998825	1266069	816961	460767	2308731	1633716	620465	4904530	1032515	3719797	607879	820327	513143	761449	2319592	2527640	3150123	8330939	4216766	755612	896547	112127	333318	1519674	3358578	714893	1059995	1596198	2635872	1223275	1156207	1051903	3467701	744839	1658843	2336054	835890	2880539	673401	2331647	429950	2665548	6645178	751830	1217736	931239	4511473	6605982	2110396	2789279	1252399	3660504	1197468	1362884	3874240	3493200	2153178	4205492	2794516	681914	1468825	2894314	2027687	1625651	464237	1729818	1311029	1798309	1769294
glycohyocholate	1296827	418031	144095	172754	841723	323460	349168	193649	1443286	634495	2171223	1299493	630141	1554141	162903	129682	1034751	306314	775358	658382	277942	1049784	380562	131227	184826	441290	307071	272250	858624	206295	47973	152751	611615	281514	197657	94121	588375	2050883	1182178	105147	327875	929347	276800	827250	1120989	83578	764156	563542	448097	78058	957031	1023652	282860	690732	1087423	969351	135502	1042441	82088	224199	159054	985796	138530	59126	210996	335330	943992	122376	1291784	983055	1315540	810454	1698536	505658	485702	112391	372288	173127	522636	1214938	211349	252830	1115695	192541	278782	754911	795792	273133	516928	527312	707088	428133	346478	1096836	239973	258935	659599	190437	265396	825606	809876	193533	544994	2487960	633501	478640
glycolithocholate	416947	4488544	2133248	381427	2069591	650150	1791479	616163	512215	4284485	1901515	614602	3311451	535551	6173418	1107304	317882	186923	609827	459255	174679	3161765	517841	46320	241108	4505217	176340	114692	801661	201714	1873106	586442	694119		1178843	954308	170311	836492	591572	210000	454674	585260		78956	305622	291026	1521770	457971	4921816	308680	554422	897917	48804	554967	2437962	2241224	59037	276871	226506	298505	440402	1092230	215318		593812	756695	752989	106406	617861	3003413	231320	1562840	494620	140865	1461863		245133	54191	6785724	902124	429922	3287235	208524	857841	504415	484696	737427	336213	856725	256733	175417	370779	437603	264535	331113	431684	379716	82369	2291563	1114536	470985	898931	240687	263637	2456659	311656
glycolithocholate sulfate*	12506948	20857300	13716808	3568044	16236168	4813297	6137999	3685463	2889414	13356169	94850488	7718495	50963360	16325610	7375706	7702277	13006455	10167516	14601791	7580485	7067222	29497830	6044451	2843793	18784930	13700117	7806619	2713084	5325509	7908929	9431784	14110201	8058424	1753527	29363952	7292505	3176638	17322402	16443352	4528954	2446594	17890738	1326346	3065977	18632014	12264335	11271337	2101005	6505484	6959466	6256916	8540749	16660234	15262990	40993908	41364460	3607949	2234099	3075168	2537017	3262949	9939766	8570810	4134015	7563010	6991469	7704783	6168240	8516888	17456884	6314549	7741487	13792549	7107081	13396366	727076	8547290	1976829	34034884	13753658	7918218	16418764	3934269	11537689	22184390	6062248	11367105	22035536	9774459	5909849	11882131	35034416	20781142	5120197	16926768	7884297	5470975	5803599	28175452	11395922	5134950	1970501	3536265	4205760	13087737	10845920
glycoursodeoxycholate	2949044	4624686	549874	854882	1544809	827443	1263175	2821909	1622589	4139280	1020883	6646173	1808810	5338028	440458	1635757	552193	1160227	3145384	965753	382349	4189762	2765839	1453226	836645	2877784	809925	318024	3017838	1265007	821153	2033699	4923293	4120755	2768311	960329	725748	1882710	1016338	735152	1660287	2911664	2441148	2574871	3258750	1817048	3197199	2108788	4044835	286852	7587473	1297396	298794	569361	4039732	2001392	1491441	4981103	429522	546156	717926	5127540	1017016	986307	1971807	1137637	5681712	181846	7452826	4973622	4771482	3209683	1627610	1239897	4038027	1441107	1349452	558934	2505791	3591763	1171841	493244	3089180	3764906	1012776	3123692	10973601	1865600	2787873	1215059	534257	632179	2411279	7832754	970494	430943	1128965	327843	1228233	2231162	3605328	2375747	1803949	8114152	941814	935856
isoursodeoxycholate	101886	891535	408711	101243	532909	288941	449842	2083437	839338	729466	352087	778541	439103	286902	165629	220455	77504	141728	797936	947305	186072	272078	968896	952787	649521	256417	1373093	367387	215373	812686	577168	400620	858552	781680	379231	169221	92136	213986	117896	325858	273084	175500	370589	159284	137820	106604	257479	403202	635310	741848	1034143	263002	170356	117049	987314	329871	65441	162218	176342	328294	463543	289635	482317	48047	1412708	187782	1228567	145944	204800	152579	73278	389624	117713	140028	300599	171765	158998	657127	189015	571230	184243	326151	268804	200266	127385	247185	899069	172912	354034	49188	66380	168015	1966698	134863	200750	131208	71358	76554	169960	242785	398203	1079841	217448	926992	88968	113458
lithocholate sulfate (1)	596410	786640	1598069	56947	1078649	789765	644604	607658	159272	1840217	1119238	167049	3008909	681965	1503052	1662539	691684	345601	1185309	594882	417485	1317283	312764	565592	2512921	804810	1647071	440190	296953	1659666	2250015	1900230	91247	106457	4091387	1583056	219327	410339	756095	247107	202830	397488	315046	46682	580267	2184486	625290	119336	261191	1326105	307128	1325787	2181463	3272907	1352594	1083145	91714	227793	418117	340267	346737	617178	2269237	160627	2087630	404434	1226284	371853	347933	1021451	161376	437941	239936	221742	1035872	40778	1462281	281272	1701884	1786417	1047946	1776953	351891	2499933	1511419	232364	959196	966827	1222806	244893	220727	2273430	891765	81044	1867672	717759	270977	653681	639132	271511	141789	465912	368203	120269	2184614	965547
taurochenodeoxycholic acid 3-sulfate	538749	76442	25034		280004	120669	91115	21273	289472	161106	589057	256011	350431	556680	31628		552561	257516	147193	454490	223060	239501	37775	167135	70217	69156	438041	415248	303293	114447		72222	208681	64598	245546	29968	233671	1919553	396889		24131	305741	121424	410214	2713960		113441	150092	81092	107955	229425	274436	412368	346425	470976	901304	157551	561120	40018	54563	35560	607145	100532	31535	51538	52564	350350	253682	288788	508626	589139	149444	1096231	710914	80486			149691	205990	2567450	138862	101555	448792		260516	176768	418155	636832	202851	470124	1108343	288104	122877	201875	592616	75945	569067	372029	112328	133126	405927	93069	270537	603983	173355	252240
taurocholenate sulfate*	1076223	330967	444246	500582	1865161	1115280	632240	163270	297685	1794545	742925	566944	755383	1154643	500202	830454	1538039	1508269	330778	1417572	1228330	1249363	315208	1278555	647285	800591	588950	972012	1294974	1137513	272765	599725	681588	1090853	1013793	937391	1885741	1816241	1133466	393564	697409	572623	1824641	1181049	3062152	1050063	1144566	872165	214543	734309	1685916	630131	3357754	1822339	1586245	1416234	1328930	1898532	914344	681476	143095	1345781	2308037	641630	273862	891025	744721	329630	748715	2161424	1177986	270808	2002377	1133791	651580	67202	1210500	1368997	815829	671268	1953405	836002	1004221	391226	608509	302091	859966	2160400	576083	1807234	2174493	1781216	487263	959398	611741	1059412	1135789	580907	945608	718847	1237651	601031	523055	1543791	702810	1213740
taurodeoxycholic acid 3-sulfate	267930	63244		71867	22136	35392			33129	162503	183138	114124	124737	98134	54782		499003	73054	131120	82395		91823	27331	33352	201588	56041	98134	35371	176900	57450	45560	231619	104140	23816	88995	102716		477709	89713		17239	74508	75424	50108	684630		262875	101546	55696			171921	286322	418576	521153	318849	67081	76917				268648	87197	58920	50591	207387	110562	79734		410468	103068	128838	275628	55555	89977		119906	98833	74126	404068	43159	62890	71746	136712	418166	56837	83872	138750	244967	76431	274250	327088	213886	90099	395029	210268	75859	162932	62614	156956	234084	39977	97487	41835	138120	111217
taurohyocholate*	120490				80294				203674	79764	99821	61052		100985			84852			75772		111546						57483	179531								57100	609311	140651					153023	162504		149715	185871			156539	150190		81223	79866	164919		226601				192181					138048		155439	526892	335661	149679	324317	62002						170895			216337						54860	71764	170628			92900			110126			149643	242212			311250	72016	
taurolithocholate 3-sulfate	1497288	681545	867817	369163	2441339	415402	383412	105328	154608	1542094	5696273	582232	3368814	2201485	438389	886032	3405824	1399236	889096	1098469	820469	2699015	206690	351862	1256310	662634	747333	281275	652868	579630	329339	892134	479747	73276	2474732	957766	1186818	4036594	1572510	282176	210808	1100910	447374	342844	5648223	1205613	2311722	297795	782598	605061	1525498	820000	3875061	3362434	4734608	5772041	432516	573231	216964	91500	69054	1406695	1441623	295249	420816	939207	1418349	765528	1742861	3763217	1220511	625584	2705730	633639	1008891	94445	1134751	385196	1481996	1323367	1339865	1739757	299434	870825	1366667	202546	629402	3400983	969352	1143366	2764650	4818263	1248664	540881	1365926	1415654	996687	827033	1797395	1383699	1055547	203693	220729	526579	927583	1755834
tauroursodeoxycholate	69134					21869			34557	106891		49620		150116					44434	21061		63062		69551		42467			123719				62628	68431	37830			138263				35095	29316	76392	182425		85008	79670	96848		130021	21327		24206	96734	37227	45142	149932				231791	38102				227505		113774	307834	253511	78180	51721	36046	55596				47207	98718			102028			36590	139237	48885	49314	28053	22129		31898	151524			39137		19519		174887	57740		113931		38240
valerate (5:0)	2860662	1815358	3108654	2445658	1967092	3516267	2491838	3060338	3391969	3233841	3600599	1271644	2610143	2618891	6597142	3348395	2862297	3028266	1891750	1969892	1444328	3591883	3802032	1944845	2461678	4168154	1526166	2492954	3459637	3029461	3385900	2091857	1410301	906625	2139870	1844022	2279959	2435040	2428487	2519199	1659099	4769185	2299425	3011813	1697371	2330043	2573084	2527084	2701262	2019664	2659088	2423560	2094331	4938582	3599198	3199664	3469502	3842477	3436162	2603092	5331154	3145809	3165854	4054375	3106862	2973831	4481717	5927982	3237582	6250068	6196898	5251951	3421556	3187541	4101436	2195154	2405904	4242880	3568454	4209845	4150204	4615953	3161301	2388209	2971471	2747910	4726622	2504772	4633483	2798067	5392575	3906403	3469003	2765967	5228669	2571247	2803642	3802573	3943005	1987318	2535496	4138120	3441263	2836029	2952593	2619156
3beta,7alpha-dihydroxy-5-cholestenoate	1334956	1026244	936325	747798	2746305	2031632	1236744	1254186	1402202	690202	624421	762184	1590116	1152563	664116	762528	662262	1553301	1093319	1446795	1562500	1364987	751936	2150563	1788280	1139385	779336	1541548	1112001	1689420	706972	385897	931258	1095999	2422028	611006	1208662	1339666	1206771	1316142	1080471	1177331	947613	1593435	1106079	875651	674191	1074490	715428	1359816	661795	817207	1366379	1895780	908918	815526	830483	1488815	1963608	1249671	880060	1309332	650933	1253500	587491	582042	687973	846015	1000839	710866	1510389	1035614	1321802	627811	1909796	404192	1366659	1831194	1099003	1281399	1624303	484111	1708101	850288	433551	760812	1003406	2219987	533574	1376471	1233161	1689709	1439357	741787	1324944	1199354	1094701	1606998	558341	812374	1604484	901852	1144720	819755	790734	659236
3beta-hydroxy-5-cholestenoate	673284	747187	1141130	565729	1388661	2329173	1483200	636563	699048	1284698	956998	943069	1469926	883268	960838	1013473	1024116	1981579	731929	1388446	1682855	1025554	657170	996767	1312786	1034842	735615	1708385	936106	1692877	448803	568993	664433	1085717	1156022	1070453	949849	764960	1013802	1076272	1031484	778204	988020	1089390	1026502	1393761	661765	1302990	709750	1541054	944066	629468	1588162	534092	1094691	833076	773191	913933	1709161	1097317	360935	1367403	1146892	1171609	959420	737229	592511	775145	906284	811033	906727	633808	948391	1447992	803395	468603	1299290	903694	952240	886370	1875765	479325	1501282	454189	388307	955364	686354	1254357	785319	882549	775383	1000463	784931	470152	537350	664200	740587	996319	571265	616397	718437	918401	704427	1045265	585553	598317
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	3928944	10229808	9592818	3309094	6645163	5338486	3628906	10453067	4428183	4043464	3633257	6073502	7644867	3696599	3170435	3338324	3859145	4223279	5530096	3667512	5931512	3778091	3945134	4732241	5106260	3852712	3266823	4907287	2984469	3537309	3191723	3136217	3594875	3826089	6399055	3967571	3515919	4847323	3806704	6059886	3041363	3458976	4859071	5100209	2786167	3928069	3050429	4364609	5064829	5801646	3131157	4084189	3594152	4432867	4294304	5605852	2057216	4234218	4157653	2969290	3906063	3642156	3493325	3118133	6750827	3529255	2755282	2313702	2785263	3278713	3624749	4600385	4635162	4564728	3071699	3711293	4695031	3991441	3573530	14218814	4149685	2647577	4020514	4115316	6555351	2371113	5423358	6517462	3765990	3923965	3381784	4018389	4789193	2699649	5235444	4390972	3676613	4149294	3092824	3314363	2961566	3550422	4383141	4896334	3499130	3203746
hypoxanthine	18898862	27246046	13300722	9129374	14132960	16691354	25857236	39075860	15232798	21443314	45938936	13464424	24941442	17181478	29909344	29134770	7219516	11402427	7468223	26262626	21004054	29215982	46756260	22873050	31709528	21880602	19604106	40403372	26283522	20368978	16675360	14419817	11123478	37635128	19301052	38967688	17983920	21555996	12786036	19241186	22160198	22508264	37364736	23815812	20391668	26936382	22181276	25097546	21140968	21226026	34188268	25306974	22366834	20570992	24378616	19342736	16710075	25034432	39123816	21274424	43308804	28766930	27604826	45996840	28849742	21857626	19668508	22879464	30449368	4034760	7844412	19330126	29685190	38611300	24282446	31957488	23076530	44731240	23219544	17901776	43701156	18460130	33491564	18290270	20109706	18497362	40654472	30593616	6778326	28582952	23725214	32748886	23897018	19797094	26904262	37358116	27135992	36824268	21576514	22262726	28796294	24560380	28019958	33068416	40514220	16128478
inosine	1438516	11150873	1941811	8604267	15167744	1435149	3444051	29031476	599449	2915353	50560036	526179	8344387	1807103	3486713	6291462	654060	10861744	437074	207415	716811	808723	1408358	942383	11915429	564108	808903	12823525	2457372	1945290	1032167	1821791	2365845	151211424	3334518	9266445	544704	450290	1171084	425856	1824249	1499928	5051800	985494	4413130	3407247	853205	7727416	7970200	9784284	10615415	25064204	1641103	225288	1153290	1708264	986917	5032610	6142045	3151490	7392811	4409462	2794120	15726016	2187695	1290260	7635487	4667576	3739913	748009	3817982	1079310	1996067	3728446	1015916	2342576	4379352	713380	842140	3240885	34196556	120574	9567802	1154356	224879	578620	25839536	827351	1495555	3061453	541541	2170052	12920366	1483653	875738	9403616	4399119	4146653	1462600	566232	3707115	1940357	14667856	531005	11638734	735705
urate	279601024	231232400	284804992	175376096	189820288	204284208	267185072	250608976	130937792	253536960	291775200	266788896	212422304	226437696	198884480	157174416	106624776	164314352	110692856	204266176	226784000	287680928	192766848	178816224	217615600	121517488	198604160	274048448	193420384	182033472	206919248	200899536	204768368	148862208	192623456	218625664	213764192	167466960	212820112	157039232	162107024	140134784	246496176	200898736	177830736	249234096	196057648	168018816	192895376	299221024	128308272	192473120	267542832	232788368	287620256	288551936	243452304	231956400	185833984	289126848	212555232	98919496	201005648	241846448	256059344	150789136	203510704	199186976	125390320	119453680	119816296	114195176	205798176	178945216	197050176	107352968	206850816	143423296	216267392	220907248	253618832	305400512	192499536	185966896	175129472	183783248	157920160	218550720	215021840	197857360	178144784	224503504	138706368	216043504	151203424	251211360	173649616	222261840	257584096	198797408	175310560	202632864	240798048	145638928	243538352	228535648
xanthosine	140838	81803	78580	121232	87438	152342	138551	142378	81396	127352	200473	148417	129525	144631	115235	53096	105207	97607	69555	97102	128896	85304	113289	93300	155180	132839	78747	148478	133276	130424	123408	45198	86734	172314	100965	134427	120988	74668	115967	68098	92499	129347	227848	163799	149699	174802	114084	129561	127490	74116	117673	148613	175259	155691	85236	62957	131186	134214	158389	104120	186403	133245	138593	170187	156809	124198	167419	133390		145914	138888	109150	135703	124464	132261	152035	99872	107396	152428	163979	186407	184675	114249	116822	90634	105082	190331	118821	125342	221908	138837	127866	140285	164383	146855	189036	144249	160109	196651	135425	109327	105953	89507	212370	307564	130074
N6-carbamoylthreonyladenosine	162385	143081	146930	159611	156825	203254	149312	150759	148007	152664	210237	185816	170297	148275	180274	188544	139555	158496	149996	146606	148275	171407	154319	162909	166601	126990	93923	128595	122812	132000	164207	150488	149561	125159	112351	136133	168616	158824	216785	168966	146314	180676	203263	174829	172213	238132	130644	128161	136422	151860	90010	142578	259256	199406	132113	167754	229029	170517	202133	204977	162288	141171	144108	221590	189562	140580	150266	154075	143130	143862	131104	144728	167828	164788	159436	158406	125574	147896	187156	176742	140527	229964	137226	121200	163720	153601	155059	132714	133827	200235	171335	215532	160660	180745	192309	190529	169908	182164	219620	140059	168792	165911	132286	84664	160993	192158
N6-succinyladenosine	177773	123683	149202	132196	106333	127187	131837	131117	150024	186119	207070	173512	126718	76454	160527	115695	141620	98807	130355	159085	125285	144400	207394	123401	94031	93231	116580	125430	112185	123267		129917	132353	106524	137656	139734		159082	174331	108704	130667	121757	218841	138249	128770	177471	131463	88126	128231	133038	85832	165459	209444	228655	110984	99925	134564		91499	137767	263015	139654	183575	186775	143520	124188	100830	169261		168426	105126	138239	188156	130771	127246	212677		104577	171556	160812	104645	191101	107949		157197	138686	162920	120307	107521		160034	137997	153624	149990	188562		101496	172426	115178	121302	126096	137294	158543	98517	170280	181130
N4-acetylcytidine	101236	122345	83683	105602	36224	86173	113385	103009	125128	216172	168405	127000	89615	88230	104042	136107	52819	56821	92338	80403	43687	262627	105966	187261	132115	58105	128921	55759	69698	67431	97446	55959	148550	85316	74070	48105	210343	102809	138984	105234	94557	120277	136609	107991	117021	83355	56092	117371	56563	170322	87323		115794	100350	82762	86427	134942		88851	160989	148789	69890	145093	143348	111166	80942	75627	103331	64231		47231	89515	111660	83781	166737	274480	133142	161490		28684	69395	63075	82773	95276	68290	131419	145869	60096	47186	219285	95473	120391	97734	110141	105074	83024		56203	116892		99758	73582	139888		45702	86590
5,6-dihydrothymine	334440	266519	378796	364115	274395	384719	320227	330861	112523	212911	274640	272794	309652	246270	413440	267207	308078	294044	168908	346520	405235	269317	221091	315626	320612	223407	369244	478944	221357	256372	289857	261923	180206	397409	238222	324171	381802	431436	451670	898304	317367	310850	819520	418566	291531	383124	307321	295349	219520	297865	262227	283617	263886	319526	134964	424332	399134	232251	529216	517396	393081	431934	269902	554877	268842	284050	314763	212953	345075	279504	343267	273597	444258	425536	360330	206331	272991	390695	338108	258925	232818	261404	372334	288626	286952	263213	512721	190471	289652	375184	266564	407419	903568	308694	368719	306534	424479	389597	188785	297218	452054	369710	327623	273014	254383	237552
2'-deoxyuridine	481080	535212	236826	364207	277061	425736	489315	487283	418461	575462	403633	196566	350203	327501	323433	462233	340948	252874	274381	318102	296341	317724	882419	447074	398314	533203	225924	422597	374069	416225	457026	281960	174618	253422	383728	413893	301919	277687	289163	212827	369167	409316	470472	432744	446464	505016	424246	420514	396465	249016	348807	355778	244232	148133	403354	358424	440987	335086	691780	545371	464596	453937	543195	358911	380492	327346	494350	379569	519195	472550	386330	627799	842386	903274	417169	993600	368851	503336	401165	168774	486683	419877	313466	427096	312119	229079	470749	422993	373610	417216	357632	462943	355006	393879	376663	388577	405061	506533	264734	380457	531267	546368	416285	411358	501081	354099
2'-O-methyluridine	122868	127851	81533	111327	92754	174970	85216	135093	188493	125770	306034	146894	166219	114572	143688	130935	88401	105201	91495	139653	104419	180717	119043	120225	145968	108085	76502	133151	126578	148965	108095	67430	68755	171599	157044	124224	90708	77547	143745	83608	207054	185879	191878	166574	232007	188750	104818	101647	147758	78299	102776	85460	140240	136754	135049	107587	142213	117911	173011	126382	142618	164817	89718	158434	145091	112423	172716	127342	100843	94648	135056	123021	157780	157284	133506	148422	140934	126732	150128	99197	94207	172664	160396	84729	108105	101711	231745	222823	112136	137387	68325	156821	66544	243600	242756	134090	271282	247955	278026	111026	140213	175168	96155	120715	140003	128157
3-(3-amino-3-carboxypropyl)uridine*	97922	93980	117187	87005	83381	104770	86877	106249	79023	79746	136728	107751	77715	80804	82516	96105	74505	87979	76846	93128	95856	89373	72811	90469	78320	74833	59202	90111	86322	78090	111841	83712	85248	70338	74704	77851	99367	100283	129952	95840	89741	94581	93716	103934	99438	143137	74004	68575	33102	88597	72809	95502	133698	120241	82687	122454	118743	90914	89547	100749	114945	69095	88384	117532	110683	79879	100055	42509	79417	75913	79610	81982	110533	84672	90789	74553	77574	78993	93317	83255	80852	133370	81669	63793	86298	77685	79965	80833	69825	119710	92390	142479	90284	103281	92174	94214	107894	98000	122781	76977	95864	75645	87309	42909	112460	119868
5,6-dihydrouracil	237227	109761	138244		137395	89622	111562				278263	171096	136385		145378		158947	138861	76060		164513	154212	98865	181182			154718					82465		216196		326888	137866	77584		196506	154447	187398	207181	192493	104969	486986		189037		155126	123494	147299	214727	169310		251739	132062		206477	144805	117525	84656	128301	145193	99680	100572	127264			209814			180107	393485				79770		184605	195154	174880	269139		364426	149755	137007	197847	147540	201349			147654	160507		143836		236494	125853		98943	263774		153531	277020	152738
5,6-dihydrouridine	3744774	3735640	3996100	4104113	3570633	4264738	3953996	3919846	3876613	5415912	6503851	4490209	4242381	3371841	4507252	3563344	2987383	3728257	3509649	4459265	3912327	5643099	3631604	3101746	4059536	3441899	4027078	3349925	3571978	3501106	3823597	3764984	4723824	3006939	2969630	3093561	5106579	3969628	4783380	4655842	3940888	3663385	4265798	3980208	4917582	3885162	3833888	3535247	2572868	3510435	2917037	2976978	4342765	4550700	4324164	4325788	5067721	3276577	3059027	4599688	5147455	3124802	4805853	4588230	3830699	3203005	3389839	4154571	3768442	2836376	3276223	4088645	4261551	3730128	3873120	3502229	3947693	3543917	4721699	3304269	3216538	4588778	3145254	3883412	3570235	4223191	4398528	2681581	3465781	4597299	4347949	5214405	4416176	4892174	3542745	5003632	4063183	3821289	4769551	3794241	4624426	3917714	4157630	2719070	2884688	4498746
5-methyluridine (ribothymidine)	1220555	1319696	1260300	1140471	1304328	1416272	1195787	1277346	798807	1505487	1532635	1143313	1225865	1160234	1089608	976672	1082953	1117759	789656	1037115	1018713	996785	1017871	705748	1164928	1008750	933616	1192622	1149873	929600	1237788	993463	686297	1130855	794262	1072636	842276	1004951	891692	712750	811001	901620	1072102	1128911	754815	844963	986153	870023	760859	1337574	750050	739132	1061576	896989	1238393	1216094	1019775	987339	1070669	1076672	1049068	993315	1178885	1035090	1082755	841213	1023413	497187	1036555	970550	898423	944764	1206944	1122517	915151	806331	1109231	764956	1113773	779407	880058	889330	861088	912953	867484	875064	1163144	859584	1180085	860882	984107	984616	696882	1060945	792908	1012926	957598	1019614	841220	1188541	1028724	1213625	1063366	677592	835550	767459
N-acetyl-beta-alanine	1461672	1028860	1245061	890705	1195080	1441805	1230975	1627170	1256878	1122346	1463013	1153502	1235043	1179667	1200403	1248436	1067514	1363114	1080275	1224997	1232195	1771660	1325129	962317	1259494	757526	1185587	1100820	945056	1035086	1015310	872896	834214	1092544	936602	1037942	1000800	1123880	1239375	1202573	1211386	1599028	1160767	847077	741070	1028619	947984	884605	955461	1472362	1272987	1092301	1429906	1498136	1161003	1512734	1296262	1479541	1468820	1092260	1704353	1168524	810208	1645587	1363819	1133566	989466	1306509	1046231	1308084	1009812	821317	1595434	1179744	1374831	1382544	1083926	909186	1289327	1388312	1143123	1984515	909121	840166	874817	1019274	1282845	877459	981696	1074540	1313099	1120812	970625	1213058	2004191	1283291	1147527	1249409	1310109	1177277	1068582	1142789	1123697	1054852	1332487	1491126
pseudouridine	14729989	10737230	11598309	11601282	10483431	12311879	11085849	14082435	11227617	13060635	18607562	12739473	10859858	11838158	12579070	9691127	9503946	11665627	8821239	13100701	11413689	14239623	9786572	11469815	11063916	11380023	10469108	11809810	9781575	10270157	11388874	9742880	9893009	11206978	8688682	9617896	12888744	10735631	14244225	12087748	10383350	10913478	12441925	13413107	11807245	13121784	8722021	12511528	11688524	14175866	9493509	10361778	15056623	13412688	11185673	13229852	13143134	12104555	11637880	11708805	13658831	11234989	11924954	13568533	13013009	8246734	12294047	11850872	10953576	10578371	10441550	10641538	14976225	10295215	12548546	10472507	10463882	10026889	12954759	13628993	10217801	13707846	11431283	10661486	9373907	9862216	10874105	10183168	8865437	12652044	11790081	15037779	11376114	13006055	9826238	13063473	11068431	14959401	13428958	8544901	13069382	11077493	12544779	8918886	12122448	12906271
uridine	37499476	28472412	29123700	20418314	26371114	32655852	27918386	37795568	29341878	38032968	44401572	27036058	30916880	27074612	32064872	30019452	28826180	29421632	16354300	32168424	34019832	34699096	39683984	25862754	29204116	22314622	25249498	34638868	27860362	26207476	27512732	23139538	15370542	32399448	19241966	32638354	25204788	22015436	15490062	18764302	25023438	26872516	32854120	28125460	23854088	24175824	27028726	33820648	30900816	25925602	30015846	24922322	23195480	31289802	36832412	45322876	27201490	32066644	30064790	26943052	38293800	23824932	33879588	34232860	29022276	24990590	27309402	28699422	31695790	32137236	29961590	22547510	28903746	33445380	25660156	32152574	29085140	29490038	24796118	27049608	37475456	29549702	31002866	28048490	26764846	26673578	33790168	36529052	30181254	24683680	21241388	24687588	18017760	36446796	23746772	34032904	27806708	31591498	25184636	26948598	27510972	35761416	25189758	30366462	43693012	19961130
glucuronide of C12H22O4 (1)*				29479		83838	136883				86774	15687	17052	82102	216844	23334	41935	117411				96558	28011			81376	37194		36864		70623		90381	12903		43869	34318	34974	58135	594348		147533		66885	272279	66975	215652		42462	24602	46920			152083								37027		94605	29995	84371	187013				29496	323123	112903		114856	47693	75669				33390	68522	23653				28836			31246		91788	153908	34827	130254	80868	228402	66084	74383	89432	68799				37654	56118
glucuronide of C14H26O4 (1)*				36240		46607	64565				110968			58974	126583		24812	60640				53275				40767			46184	16382	59447	49719	68860			22136		22101	32927	465365		159682		74159	397668	72051	170445		29550	32850	26044		65213	93564								45912		87678		61110	132960					305212	42217		106800						33241	44110	25227			59346	26446					58032	106161	15844	125392		230188	39778	57318	86303	40188				17939	37305
4-hydroxyphenylacetylglutamine	238092	74380	116113	57248	61276	47736	67301	113123	116585	117570	198504	138472	97998	84145	210024	289767	80011	86109	128666	48400	45426	84916	111872	27010	123410	62565	33526	96046	62854	57720	81393	45069	117367	49559	49983	63769	99908	162655	129545	90787	73275	54397	60724	311654	116405	72586	43060	74020	113767	54207		56348	108022	165036	96676	170212	48749	105521		47966	69587	58176	80474	31762	135631	74041	57385	105561	160273	91260	50998	110078	23108	39682	73145	27810		97912	92299	87550	73057	138600	93122	47572	62495	74782	93837	79493	105403	145580	158654	129102	70312	96674	98892	70814	159834	87913	95750	72449	106873	84483	201064		95698	83952
phenylacetylglutamate	90536	15502	51853							87922	218305		87110	35163	127448	267791	70325	33413	132898		45554	88563	49860		109481	34693	42374	137255	38015	105703		58696	25052	72835	43442	97435	60295	86592			52801			94883	113716	152404		33672		51320		41996	135084	300411				131170	56333	58102		26959	103967		112657	60273	45812	203488	95105	132775	50164	103930		13979	45078				94603		182275	112107	157065	29452	39049	41413	89642	114137			85281	229969			81862	73169	65813	243150		37876		44593	174537	31870	83742	75499
phenylacetylglutamine	29763468	11267714	19370276	6719201	15860505	8063604	8481222	7562669	10895814	20702248	43375960	5011902	31770062	13657309	50047380	74015160	25222390	16017662	27936912	7507418	23497398	30459164	16946494	4434529	34182244	17932362	16189793	25088932	18025038	28595298	29215538	18875828	12712769	14558806	16569860	26779704	33643964	24981150	20536954	18708640	16612728	10988695	11918250	22921842	21060470	48816008	18979662	12760727	4771500	25369138	11797218	16661186	36617980	70523392	21334322	15837011	7244359	28410608	20478394	19137868	5501480	13038013	18882140	6918191	43537188	23010410	21084354	64398536	48971164	37361496	7499330	23452964	6392814	6630396	20431154	6180734	5359286	8937543	46188392	33642832	29747278	64957440	37533308	15019902	19463942	10046754	22860042	20908638	3850036	22947954	26979488	41714624	13454509	6094285	26448332	21266334	30929638	14052588	16250643	16238225	11872124	10833007	48249836	13093470	29017218	29791072
isoleucylglycine	311129	866147	727676	354631	529790	487273	558649	609584	418156	514601	807676	629719	861922	348672	485941	417883	616451	412883	344166	178494	265631	86203	80350	813929	616755	639569	243913	539420	785387	526696	452140	568855	430718	799470	467064	824006	598746	217291	401043	298870	575952	417689	388581	1033825	614454	460712	463928	833742	510263	697507	762486	654880	876696	311494	623462	581131	345660	423833	464948	558417	560612	695503	767087	361290	785235	693387	599359	672563	601565	705826	527420	569385	622609	382069	263293	297659	559145	151803	497544		765991	359847	479334	352340	249296	389177	544468	445674	852836	682190	287084	635419	654335	702300	431910	729214	491736	598416	517284	517957	506644	554772	779617	444135	831232	537015
threonylphenylalanine	33802	56655	68033	46048		40612	48589	74667		45468	54059	70231	98090		88832		93598	78336		52705			56644	78237	54039	64594		51836	95639	78682	131270	57041	46064	85104	102968	64650		31576	18858	17807	60304	21305	56857	100390	25933	66033		149617	115361	121220	24028	81286	69278		66617		17371		42914		27168	100058	61571	24029	45677	89532	41070	59161		74871	50933	55515	162836	56269		67033					53812		52532			54958		35811	103020			39175	26622	62238	28076	88153		49853	16919	29638	66349	94619	75302		57353	
valylglycine	193714	828483	808613	300703	671545	142175	418757	347847	220091	329636	511698	427638	810838	153329	374064	246917	501286	461779	213602	76725		54534		865693	519821	534640	125585	369598	601132	406358	362194	613040	449641	798596	379695	579496	274114	150547	229774		548985	205922	221896	1083934	438175	313153	311880	723040	573232	614863	488213	634992	672747	105137	306414	419214	149341	268403	274238	348350	213874	469401	494292	58145	451353	572401	499774	493550	562137	628616	454030	457680	344295	86747		85811	406151		362604		723797	229884	283610	157400	85297	179096	278870	187431	685610	419230	77482	510778	561384	618049	174096	719856	478683	418489	302165	463802	418920	495579	872719	180431	653413	399523
Fibrinopeptide A (2-15)**	3326482	2613065	2632291	1238117	3714264	1184739	1443832	1370088	482728	1055803	2762788	1404248	1476555	421897	3652845	2336700	1767545	2880681	695432	429758	377035	559009	552011	1705383	2147740	1677186	466089	1242375	1867117	1120931	1223678	1689495	2035188	3099150	1569298	2178910	608993	861870	927824	1089747	681248	1218801	1215390	797508	1567078	1702607	743771	2490043	3049188	1454378	2166877	4999536	3216693	968366	2111802	1415899	482113	1720100	1609584	1264600	1064316	619639	1195458	876741	956021	1390530	564622	5066905	2262530	2270552	2157276	757044	2503206	972622	474496	1224204	1601939	251215	1839948	287350	1905939	1799151	507328	472565	566809	1010931	782815	524642	2649649	654549	489997	545616	1274628	502488	1777309	1404108	546773	857625	3712394	860155	677140	1930186	1248397	303731	3019985	2214451
Fibrinopeptide A (3-15)**	1561217	756804	822650	155932	551680	397502	188827	246404	55920	403442	776412	181525	253612	93020	1064025	673213	139098	655650	82366	82089	115404	70952	109409	343018	456733	220234	130061	271167	342251	241216	225735	402332	412106	741986	315547	399195	186307	278747	142957	321210	115423	203963	220002	86726	248007	803141	136305	497849	787532	229673	488806	1162817	804974	338945	621060	519630	69660	265082	523181	127845	265346	73682	316089	111064	98403	231000	141747	1056807	712459	208895	547622	85963	551825	307519	55315	200117	363698	33089	289240	71159	363983	750445	132236	70368	147741	294515	204111	78876	471112	198986	85431	84101	393191	86841	308865	217728	63322	135814	2043347	125469	133933	557792	232246	63471	915613	914386
Fibrinopeptide A (3-16)**	1013649	1178838	1098064	454391	768656	540777	526765	524726	574384	284397	600619	364202	1125729	135377	1008103	456582	520408	362424	280287	50720	93761	226642	133748	1031036	1281595	619301	122115	227305	528995	347800	598822	505441	503418	411203	449920	503839	270271	202374	151265	154809	336906	565418	292773	243328	206405	331453	166893	797170	647890	458677	840431	1486647	610079	301521	870382	701886	221135	337300	852930	695370	512747	242272	182079	183620	428314	917649	314449	874153	505296	709303	515725	296511	721757	261829	230804	636925	914464	149241	810562	235236	424680	479059	139614	138768	132072	190265	144524	179574	751428	289904	76964	178009	197476	276787	921946	311452	454487	369567	792315	285683	422864	443362	494434	84121	667816	859063
Fibrinopeptide A (4-15)**	381035	187318	138794	81247	189118	140001	109013	156163	112520	72845	175381	73419	280052	23766	206977	173653	184937	200331		45009		29404		199234	150704	94827	27745	72958	206543	54672	222183	122318	112627	227213	118957	125434		57015	52084	73396	67117	140293	90794	94097	124430	213327	60007	188243	133410	115169	260887	354067	227069	88323	172806	114613	27726	118862	134878	143328	128646	50828	98507	45674	73882	155506	55287	264512	151555	212905	147188	45253	317994	84952	30388	99738	135559		293129		182777	213024	44201	48663	42477	84366	54237	81474	114417			84359	140206	55883	276784	119385	144658	118923	468558	127199	153656	152467	146103	34082	486841	247541
Fibrinopeptide A (5-16)*	936460	1728029	1266933	1183543	1449762	706824	778257	634707	819521	296733	733505	357296	1531048	161826	1088975	544513	979307	548400	350587	49032	74977	208537	99948	1577212	2170561	884005	159682	352116	908921	638006	946224	943700	737125	787783	732528	841179	413803	258981	213261	211251	549597	807556	558326	333562	312151	472775	179414	1285917	928542	805777	1099462	2405179	821785	212117	1284450	816049	475993	734468	1257793	851906	678343	383574	256740	355672	652367	1085186	424310	1216757	879758	1305946	903101	455622	933125	330487	397364	982799	1530632	138773	1029921	241587	760173	681075	214303	210019	163393	241713	182602	208844	1436834	525342	111425	304828	387439	444456	1448142	577036	787792	735003	792433	476528	670239	658730	742547	86346	1210799	1022115
Fibrinopeptide A (7-16)*	157641	491328	197892	177429	286516	133256	192069	102323	144480		159860	39532	306379		242515	94719	157600	149537	29333			42962		280855	440530	151775	21821	76139	207397	124029	172863	242846	93223	181680	106349	123655	70800	42707		21430	110305	82065	78969	64419	70667	62998	18919	340725	196262	209216	179870	415496	166053	23712	359552	120410	66323	175669	279266	197658	110414	89371	49134	47101	103721	117537	58549	284066	185264	224133	205987	59898	192737	59419	87255	284051	277984		167668	45290	218305	87375	36373		15667		33670	31055	152133	101226		32051	43407	68550	206499	97775	172595	157559	68407	80293	121009	170746	231606		300629	114586
Fibrinopeptide A (8-16)**	274346	583003	321898	105936	335719	125105	215530	106781	96885	63770	277403		387519		239112	157957	37212	213824	43795			40465		300396	404210	111391	52018	73766	153247	138198	128552	266230	86023	172549	94589	108353	109119	44682			85945	92636	111337	46629	73217	37967	41182	401699	166145	306559	264635	281318	210458	39963	492498	258045	24292	259298	283874	173547	104257	152560	57357	45650	76646	94120	140567	208466	278203	108086	160724	79450	164045	144418	72362	807890	449086		79031	86993	160452	34794							108392	102941				76077	107959	85010	89103	157131		46947	67811	136977	340619		308421	50057
Fibrinopeptide A, des-ala(1)*	3059847	4533596	4354650	3755975	5471601	2248925	2870666	2534634	2481206	1255962	2500501	1945201	4083107	809293	4244694	2065427	5305574	1876285	1463358	343259	473880	1322617	757869	4365563	5252165	3894234	785241	1404959	3396425	2205486	3208524	3089703	2782183	2641107	2420938	3619764	1439865	897909	971656	871442	1475005	2558818	1810497	1462906	1163252	1373607	863153	4056422	3745258	2366343	3423187	7647942	2887573	1158785	3897279	2414033	1607022	2778846	3573572	3573368	2328125	1523718	1256134	1587992	2304388	3647802	1280706	5095706	2525921	6801258	3070206	1679120	3154160	1280997	1908758	3074945	4186500	691269	4776636	1002963	2628928	2297110	974314	977943	751397	932162	1008829	1044182	5678679	1753979	735363	1133326	1082276	1391892	4652461	2296145	2323347	2158195	2430351	2041479	2261234	2460403	2343835	597786	3289782	3308515
Fibrinopeptide B (1-11)**	9664572	6867437	8088473	4302307	5619014	7955910	6981349	10692310	9645405	7724401	10141898	8676482	11671498	4943931	12597190	9305145	8365826	11783124	6781596	6837040	5679008	8364307	7826573	6633882	6150318	5470690	5325229	12010193	7370032	5818883	6321674	6300056	6471505	10116928	7355578	10564524	6887750	6011164	3840572	5047208	5459135	9037005	6226355	7218693	6551834	5344096	7435803	8922425	6170203	7307902	10782038	10660213	11199643	9755474	11158872	7056354	5980897	8414709	6985596	7238657	8402394	10690023	7998598	6939397	7413503	6834450	5641504	7840186	9176787	6294365	6846717	6007858	9099033	7623580	6832066	15808918	6154575	6014003	5723523	6869353	9267330	5600108	5961695	7180007	6429749	6979077	10430258	10890818	8609725	6133770	5137387	3700885	4259301	4268139	8927428	6893468	6276111	5903317	2900437	8630781	5187915	7758648	6026404	8206429	10518670	4748447
Fibrinopeptide B (1-12)**	2510428	1449405	2178476	1307499	1482314	2055332	1069154	2537873	1704801	1999089	1701996	2314708	1728954	1338434	2116669	1744329	1852680	2264678	1290829	1140491	1205322	1952148	1200241	1536690	1840188	1358636	1335672	2118525	1305992	1218660	1491281	1477308	1307209	1905860	1320159	2783655	1755181	1239441	753596	751059	1112628	2335603	1202642	1607218	601728	1016850	1328516	1899899	2134497	1697459	2292103	1663997	2068947	1633909	1905868	2347622	1206816	1140216	1711957	1318031	1724557	1336728	1699679	1176493	2516539	1426292	1396203	1599972	1615068	1355853	2097648	1337265	2124231	1267132	1787996	1462319	1636016	890278	1460052	2128744	1816969	1593146	1129017	1422649	1295309	1074024	1488191	1602136	2685645	1592123	833175	829818	761226	1388586	1808437	1324016	1670556	605930	975400	1861511	1791123	1492432	1300650	1015524	1605054	1236804
Fibrinopeptide B (1-13)**	1696691	6654155	3420534	1703850	9293871	401286	3034114	1054444	2486780	1041701	4075925	458666	2710294	816904	2418840	3681108	2700551	3112072	3200654	127594	24841	124505	327104	2018893	3239487	889947	218084	1402112	3493249	1421931	2136698	1774235	1262806	4315889	1272591	634736	1379897	2602799	579607	1260991	2546911	688391	1266455	1927756	5982547	899969	1015818	6934653	1298024	3679910	2727888	2494138	1242245	345940	7453325	1176004	808536	8254169	1381708	1520324	876255	3497814	924922	865319	468882	1611283	1491747	2680994	4510883	2694479	2379392	3285318	2757910	1585182	644625	5463054	3086509	159701	1029047	405808	2862386	201521	269881	586598	240658	435779	1053142	460036	595423	1977677	1309197	1017612	1826017	1420396	994108	1415300	1549784	6627421	396452	1416346	923283	1214755	3962505	334535	1572153	300820
gamma-glutamyltyrosine	81874	254129	239939	195604	204753	323286	201470	241289	221962	208724	425192	360922	335661		388964	195813	272724	289012	279518	216725	226152	232717	230175	265093	182684	337669	194095	142315	215499	217088	213589	230042	290476		276743	193395	292630	382049	295121	252091	202521	263086	252925	344209	277947	239280	214155	149261	254493	159899	131372	300560	250333	297516	355292	276260	182701			150153	295137	134616	199053	180743	234190	292097	219084	228430	383088	217164	251770	318883	309844	219448	323116	245024	185926	290894	322895	107480	199291	281172	183256	197100	185914	289089	270841	213156	284004	354000	228297	347475	430857	243350	200987	392775	323107	238903	320375	230457	256879	208629	364906	178744	91764	282216
gamma-glutamylvaline	197050	309561	321734	259299	241731	258300	223156	219267	247943	218880	458876	373370	324460	251601	296858	255098	245432	269451	212646	316401	269638	243040	193566	272180	194132	285839	166357	215742	258698	254313	283193	187425	195677	251527	240328	302568	272786	315725	246962	215330	191466	161027	320479	359157	256702	243189	235476	196379	332253	183381	194458	259980	258645	335357	427645	355334	206219	189889	255852	269549	192818	239307	260448	198113	334571	247226	246922	258438	364672	246232	254150	315603	280319	224704	313769	231098	210844	262952	219743	126493	321507	249130	267893	226384	190363	224415	286112	327664	430883	336150	272516	291501	322446	342060	128369	473351	305050	251125	259956	262782	215721	326724	218185	296163	363090	178587
glu-gly-asn-val**	2812572	1460927	1477183	1517671	1736269	1445025	2605298	3691656	2087761	2168372	3153589	3727016	2251237	2448629	2812781	2573300	2983575	3745406	2468277	755388	642210	1154971	1625803	1739672	1321154	1880006	841349	2423718	2263929	1542660	1537670	987783	1411646	3856508	2440454	1688400	1240231	1809879	2663202	2008318	1570163	2796587	3017042	3648587	3615939	2268658	2470276	3565498	1697264	1967967	2720870	2184472	2336446	2230660	1995705	1537791	1790997	3264364	1197702	2728937	3199085	2662853	2489073	1314262	2607061	2522887	3631985	2367608	2664252	2369470	2327731	3560286	4252513	1598052	1458372	3129925	1302624	583998	1415568	737765	2426972	1227125	1480024	2575219	1305356	2242387	1877506	1978500	1635747	1453739	1395990	2436872	2189447	1667599	3525115	3645230	2411300	2090477	2610392	2505999	1557231	1845879	2083011	1981830	4571587	878673
2-ethylphenylsulfate	190418	86022	61788	185887	114103	59424	58252	81922	23349	133910	118249	85407	63593	257161	357776	156731	239852	167298	33415	38368	157085	177358	14055	42975	141495	185598	88084	59035	100462	32700	140001	112015	323863		92427	286564	95113	163942	614325	210727	74130	78519		125977	101261	36617	338430	107430	143574	51001	39090	160318	63575	64195	34856		28855	98097			19936	92642	56517	52595	64256	19768	232674	123913	92078	158238	213547	34872	57416		129705	91713	28776	26213	108415	142737		349879	15906	43714	106739	111564	60583	105529	103358	115952	94130	75912	211683	115545	101034	39580	174953	66990	178402	263247	97418	19319	182747		114239	175295
3-(3-hydroxyphenyl)propionate	130450	640232	773108	313103	232702	3005158	2965940	3712422	833007	3518729	308365	985310	454014	274795	491348	79897	142006	662922	1146594	192251		120361	943794	336786	939202	164303	2195712	975715	238915	121713	4096837	2317054	2217477		1233978	218895	797952		171192	225562	436872	286385	537651	599875	260492		141701	268603	2952682	563657		692210	209933	189767	319730	169197	1500827	984467	110734	140035	1094953	334745	393875	352940	1843057	144111	485692	529483		600871	153243	635669	571553	407620	693748	686444		556687	339880	222999	90673	161414	127387	542744	188369	277225	513385	415409	371362	572225	350785	57241	871413	512284	98602		98634	751028	222312	204413	2022299	777484	2684696	254548	206389	445161
3-hydroxyhippurate	615284	1991197	3815257	140341	484809	2244170	11929975	6579170	425423	6490306	621085	2041062	1596276	527451	1680263	578814	403962	2119140	4385626	580096	550792	673028	984097	459802	1713443	627111	3131697	875481	182744	74150	6275687	1834357	5949666	145047	2172390	508356	1638422	1103048	211747	625669	2327620	237206	1130379	623848	424388	107191	331966	721719	4634051	582357	24703	1259931	384411	2266750	2219115	1367802	981726	1941554	387865	315467	2758403	589901	583258	256938	4772759	1429725	712813	870925	975127	564066	532077	759501	1155206	863210	950019	602532	765131	575714	1313653	295464	138773	678796	196544	1453055	220928	701225	1061508	310364	774411	860729	1140480	74390	3120597	1270245	97536	353621	84992	902904	217708	470184	5808582	1415238	3079127	146472	266075	1064174
3-methoxycatechol sulfate (1)	307939	509241	547154	1119478	515021	436311	3968789	1272983	249005	596184	683880	6696073	243838	352292	281730	137175	207766	835578	364847	566908		119841	230472	361435	387316	75283	2094670	1101091	145285	192800	323625	245356	1371411	208147	330525	411275	112806	564365	646961	273942	109967	203765	1699448	1132829	921970	239066	269203	346366	767570	609160	737018	204789	2119349	87884	2361343	1608238	213304	337425	39188	67567	210413	205942	601525	256530	267795	117752	535729	168029	179995	253494	582949	214285	248560	253442	364125	220058	292179	73637	148514	439058		845696	96005	91684	79681	530729	448114	477506	335319	196373	270749	1986115	487111	497601	625866	470577	808439	1879443	640048	973687	356339	669352	716099	584543	333265	328007
3-methyl catechol sulfate (1)	1628205	427963	736090	1702869	703360	2542272	4665310	363451	335528	763799	1230047	581268	248333	1419690	2499272	907984	983227	1033473	281291	595067	163587	585777	381744	565756	1164466	760277	943583	562964	1070991	1119791	1177644	993462	2315748	585464	613879	1922240	491071	684345	3650090	1056295	467353	939574	151451	954242	1173293	342520	3902708	678231	995019	1302668	820542	1224886	613436	727117	394512	448664	204732	1458302	75740	125637	233573	1473659	552508	706607	605219	2988496	2605625	1084293	994220	1026322	1736886	246182	712193	339559	1675656	785480	546165	111228	774306	2554702	169264	3729039	195254	586973	941917	518498	1696323	2075853	858776	856566	1272763	3750303	1278562	928579	1411509	432423	1388338	1868117	1744855	3826185	1290197	11131789	2865197	905048	1214056	1522931
3-phenylpropionate (hydrocinnamate)	3374097	7498770	13587057	4728809	8341631	13282139	5114363	7176336	5739423	4172096	3553742	1449825	10541947	1790893	18101242	6021010	7068071	10040798	15800690	2887664	5382300	10257099	5286212	5082070	7853258	11427308	13459896	20723258	2278268	1970460	10554376	4042262	3361230	875515	10444850	6981073	15046629	6404565	2985699	2687803	6974841	11575711	2256705	1191316	2800429	2416676	6075367	5224797	5018241	5757672	3566106	11368547	7043250	6526035	10225471	14218224	10539184	4160592	5419194	2053124	2549399	5774564	1472988	1484434	8610868	4187380	7011809	15077581	8817393	11115182	2543593	8237401	3134182	3449122	12373046	677099	4124702	1529602	7392685	12865659	4287444	10001606	3194900	11214985	12378200	3784171	4853557	1849507	6684928	9126401	12737364	2019176	12080769	6521111	7550129	3991130	3542677	1789976	1388595	5201071	3342235	5155989	16073267	4056636	3882657	4820269
4-acetylphenol sulfate	106051	102962	71776	656981	103124	158155	406974	240516	719395	206074	193263	114534	75505	4755562	6804810	1526880	2760152	1537476	81499	97161	45613	282487	70148	31977	203668	109691	62259	294515	388049	54020	709677	229422	391698	41297	896801	363264	104763	191671	397798	424787	418118	157185		160947	55833	58468	179516	136466	264203	660120	58570	217170	77999	143942	156365	247733	136948	3593539	87983	196400	149766	63960	184943	120846	59780	98136	134274	290801	107430	471352	793244	376292	134965	67535	413524	271531	3602328	24005	406269	112561	32423	711626	16568	573414	142727	246064	104977	164385	831821	88811	231815	212160	249798	351441	415534	90464	255406	135515	688479	2048950	93714	263143	277634	62277	297950	2490725
4-ethylphenylsulfate	1476992	674301	1688751	2646510	1650613	1791688	973509	2059295	1083477	1655697	1638521	845828	1738095	3800742	3177656	2401149	4089005	3829145	1586910	439652	702730	1811404	1058607	1573971	4195871	1346749	1089604	569764	1702121	741708	849633	540314	1291330	396580	1600764	2878655	674077	1242618	1961919	962911	1238169	2016225	706808	2032969	396961	681741	4470892	1342674	1268188	3380393	373018	3408502	1205815	1512070	884082	1297088	929473	1361060	983705	164385	1798113	1784277	1638511	851114	672554	4167029	1988808	1412809	1902513	1876354	1665925	1669682	1067178	2112403	7643586	2441049	2752687	636457	719073	860929	674271	1927795	931216	1275543	890026	885360	1230882	888473	7683879	722063	1181483	886705	1835269	1240344	581837	3149827	2297064	809040	1547918	1497040	849789	1950310	4871380	435661	3148004	3092125
4-hydroxyhippurate	1260021	938123	814944	1210480	593065	728063	1310007	2283230	2445239	2517783	2569517	7242278	1044917	1858328	2580243	727210	1280776	1172757	1386152	700437	405918	1321178	1289976	340726	1201228	887548	1076777	885768	1388325	751480	2425780	1148214	2282050	979180	1009074	1060073	1578206	1489475	2404384	2113358	1057691	744598	804357	1112147	1608543	548726	756385	743032	1924255	436518	622776	1625312	798377	1087721	1511083	1637669	2832738	2661902	2892368	3976930	3107638	618972	3511430	690344	2893308	539677	1051624	1292122	2193388	1511294	1326976	4832274	1174650	527869	1333451	2252656	1063397	380052	2748894	1640219	359732	1877011	706969	861738	699547	2307502	1518916	1386906	1358369	1679896	827280	2090600	1762488	1820163	1360385	1178401	1040337	1532554	2258187	1134760	1186344	2188757	1178616	672281	1591891	1653838
4-methylcatechol sulfate	31066714	6889068	89619336	4618765	8463996	31368054	52671336	19259140	13742710	139172848	55873152	229517	27979640	37853848	25447012	34413012	4633023	22798608	118466240	43198268	8553760	29413984	20212820	3848045	54597064	13331496	82489192	36386968	3855033	7961583	14117629	8328580	71274320	10832535	22969544	5002083	17107434	122033112	7405382	12281884	16729383	26846398	1684004	5138033	4317073	10900054	10307437	6884549	121927872	38660060	4307119	58596824	22547306	50896296	22523846	15320745	24265200	45589472	6311945	11219393	18365224	12656780	16314251	25169916	1489149	10727074	31787562	33878996	24762180	11704407	7423832	29567884	23304956	2013327	11721482	3237392	16327396	4719953	46304720	66846776	17032814	21998780	9911519	14297730	10597892	9892157	23858520	8114538	1560810	25071754	57771184	6124909	65187792	9448816	8968047	3457054	33843480	5050180	5997440	17991884	4960146	67684648	44745580	904870	5306606	21633354
4-methylguaiacol sulfate	426097	122796	3197508	133872	208865	571768	1167742	708902	220369	5019965	3632574	20092	343068	867633	782823	1026580	147459	333008	5481431	484182	113388	617593	547912	43799	987976	181316	2552523	1355708	185565	261983	501697	170903	4032404	446830	923787	210194	402714	5002544	455642	334091	177812	323872	98205	71958	151614	238003	419559	143096	6021662	836687	217608	1305914	460576	1784042	280355	355443	278324	1758569	97499	499156	619653	152682	758345	539315	37682	148612	709698	1429746	621141	272954	227260	630504	326299	47948	269664	92895	186341	41117	738792	1851302	693296	450831	264629	289461	154447	215999	578433	334121	36365	654245	1474175	250732	2480555	161859	314230	78211	272821	150630	239349	339466	144733	2038952	823437	74816	131303	352984
4-vinylphenol sulfate	17753070	17452772	74174560	69902456	15017858	38551452	41621928	54952712	142373504	51739656	33970428	67019884	39498712	204148784	268954688	199698112	187236864	137618720	57195848	21378954	14546196	45545464	15660423	15627957	45617028	39779176	20778642	33508554	59270676	9589742	272059520	150908448	24765274	15683653	34725252	19955026	31797724	43029316	73815136	16838980	37868528	43694284	25959512	31679234	18961106	17650310	64473088	11468563	43616844	131371832	14986716	47291536	17076110	20056542	20688850	34587148	65949552	167795328	20815408	39546944	64018800	25978430	71727104	54542716	20290748	31402518	29044560	68472048	31913620	21598426	44332308	46045612	23574430	75889200	124722112	67641168	203440176	19184418	11008769	15089332	11381830	31780362	11667044	148270800	73382264	75123752	151010848	36004796	59417844	28784542	99430184	39367520	66282176	26462872	44529776	58353744	77581328	81773648	32022544	91399184	25887822	43069104	110106360	35610076	44526928	101121880
benzoate	4437633	2780382	5648137	2961048	5207082	7767391	5947486	6290094	4950377	6190755	7638088	4703992	4498094	5543042	9031743	5984146	7893029	5328415	4776934	3947082	4987108	6079648	9927341	3582018	5573978	6469211	11033147	4738554	6465138	5854899	5770331	4660074	5484312	2567245	13373889	6624069	4874987	3929838	4793451	7909520	3842384	7421889	8515657	5101838	3133191	6311306	5253107	5223243	9465488	4066962	6049768	2286262	5080025	7719352	6773589	6284131	14875524	7642147	11709706	8072775	19039672	11585472	7688086	11231920	7711449	5269574	6655158	6326122	8870575	7879372	8061991	10097100	8371502	12571109	8134884	8963357	6580718	10649423	4333366	13236455	10563251	10418666	8210114	6973782	6852643	6761948	15667021	5408819	6768122	7653222	11116271	9162638	4686838	9609583	11858015	8211478	5896753	7125117	13183089	11411820	6390979	9770867	6367584	6703194	31611852	4520997
catechol sulfate	12155804	12133302	38162856	9852112	22151918	54005388	42819816	53350072	12473463	16601859	9676349	30469224	24197954	12909753	39236272	10425105	17546370	25467840	32191838	14881977	11987117	17464436	6960800	16218126	36547776	16586958	27709078	34496432	5065863	2977280	36883324	20971600	22658238	4513773	33178926	16597527	39931076	16023286	19658214	11799040	25302384	16693285	14577124	8653554	9515725	3688034	11711884	10892254	32579846	30447586	4763582	43355940	11647742	8020732	16365356	49777148	18901316	21530362	7100088	1866981	20707484	9925449	4357220	5879205	39366804	8670045	27718156	17292434	12994777	9255764	15863024	15983525	15507863	7863010	25707590	7305312	33459344	10581368	12959033	10755955	13891205	22229228	3345119	42119236	42084944	22019206	11236729	5991599	28298564	34331632	17904064	9324353	53076412	12934879	15397851	14237572	7871629	24529972	8927681	16338688	14600570	19004954	26943686	6185205	6855333	7962936
guaiacol sulfate	1628742	2352358	6529843	1829949	1968829	8486015	6619005	8158747	2662145	5326936	3195860	4816041	3498743	2720932	6532887	2257934	2464651	4570974	4643885	2287186	1538516	4308337	2057677	3005119	6149321	2281040	5764075	30467234	1364709	828828	8933694	5298842	5352220	993389	9774346	3343699	5809362	4493464	6785469	4245151	2540221	2542727	2356129	1486128	1343010	626899	3085833	1733177	14504655	6895969	469883	6112532	2110043	1830544	2260636	5484536	3508328	2950945	1077312	558037	4178531	1205434	2302591	3225266	6462402	1995788	5298608	5135968	2750794	1724052	3484167	1987351	4469441	1595729	8102165	1875658	4570728	1661719	2177053	2528077	3831148	4597218	853748	6954477	6795264	5209731	2407671	3410280	2663439	6273913	3966082	3812888	20067846	1674667	3063576	2580690	1195701	3466855	3402844	3145953	2289751	9402530	6168143	705721	1366250	2074366
hippurate	51480740	49120036	82315624	26408314	60388264	96167256	88125232	74478872	30666442	53182480	144288848	49442136	140306256	28002222	121592344	51003400	46500640	83892600	135495632	46876880	80233584	84058576	40103016	57535652	156863600	73485304	109068160	159401728	15395375	20548832	79435640	42159388	44952120	12861698	142275424	68302544	126779576	80656904	34085444	29971750	75962704	96856400	47424492	30534310	36964352	56114816	42537320	54904716	60368848	113727240	24672508	113485264	111355456	84326536	97609232	130286728	53795584	38584680	50111164	24835008	34456236	45063944	24107630	26198966	157405056	46773204	68823840	98653208	68684480	75066592	31191478	63643024	42405612	50675720	90074736	6709438	86277840	26922566	79672384	64163032	116498760	95269920	38235772	194845200	171351488	51187676	61422400	29498464	62799604	109679240	97955016	27289730	114932200	61756460	61430080	54672828	41128860	26311586	16351054	41051492	53910060	242946864	118606536	35258476	36666644	58383232
methyl-4-hydroxybenzoate sulfate		89129		86422	54906	26496	70674	64140	1493749	56298	92331	3803926	45975	78889	1904537	26782	83473	52205	41421	40276		27185	208607	75863	183392	13999	106861	107783	124109	499053	24355	21635	74609	508339	24775	191763	2329447	62610	49373	82349	151011	72017	21983	78182	86528		62340	311479	4711217	103165	1734478	42971	39454		376163	34177	37965	79839		33046	2058520	1104017	150333	44701		22005	57622	3670603		135960	45706	75154	138310		55700	1334468	28391	29362	37354	76793	26631	52805	285788		54774	104444	829144	62156	75359		36150	48690	68400	152614	81050		92927	75904	39826	40731	13903	483927	526925	86528	63531	35154
o-cresol sulfate	2144825	1173433	1142928	1856761	1003293	2159504	1689769	2039056	1437461	2416117	3069381	1686283	917127	2214904	2795445	1882653	2018784	1876650	822716	1424282	2048318	2186791	2614028	867723	1938930	2345975	1474835	1055688	1862437	1193187	1805691	978986	1826931	1119834	1182035	3278395	1713360	1897913	3944700	2327306	1054219	1922176	2478249	1603870	958155	2369030	3430295	1485868	1561269	1238721	1766541	1176966	1603679	2532601	1687621	1634188	3502307	3716040	2414416	1620972	4272762	2235285	3240754	3166220	2506442	1440786	3287647	2280565	2638066	3592685	3107261	2303016	3334462	1908372	2619717	2381619	1876385	2093013	1972153	2383789	1652807	3852857	2127602	2099588	2252730	2868262	3722231	2265951	1822397	2975203	4476202	3636870	2169649	2917135	1952269	3835325	1896601	2887128	3016920	3274980	1508113	19151614	2677965	2713300	2568724	2190964
p-cresol sulfate	295427680	180682480	323213728	215931040	181956352	311627328	161252032	98636440	235787312	276237664	474088928	8930750	349637440	246768976	610592768	708252800	376969664	366417632	366928096	134736752	274170848	527601888	284611872	136811680	463320832	491106976	299141312	701257856	321822048	395493088	484705600	338954432	247582016	227458704	417749280	245880784	376550848	218144144	375793920	428437984	218898768	274333344	130870296	57568480	298135200	319044864	429085632	235567136	225855808	391159328	65102592	539226816	389947712	626784384	243129632	222513104	199858320	346070304	257368848	243243600	89742240	202612784	256675968	107136160	11241020	261613472	293713056	848626496	494018048	617407168	252873184	329826272	173485216	114303048	408397728	96517944	65029580	108957704	551781312	327636096	350884128	718795648	397837152	295739936	350595584	204852832	297717280	263122368	93613632	253936464	323303200	570286848	422170336	97794248	427478176	366278176	134681936	277705888	205033968	340572832	111067952	350915232	721613312	11535754	421727712	459127840
propyl 4-hydroxybenzoate sulfate												93543																		166866				200632			110909												84554		83072																	103951								98816							110909				624557																			
1,2,3-benzenetriol sulfate (2)	58491	33883	52990	80070	70102	58491	154135	77384	32770		68012	1728943		36234	36505		20382	54999						29355	19507								54715					105451					63992	65829	85814	112586				68133	22816		1066665		511831	73121						29744					20038				28061									34020						20580	37226		21589			122890		47203	35611			216935	30320					20486	65059	67314
2-aminophenol sulfate	199376	189932	159801	71211	109229	342059	400280	153998	248174	234883	819676	255126	158634	160019	260560	287434	309318	205716	418060	542941	65347	131299	125687	342703	374655	260946	169565	155659	294030	389358	226454	216820	155861	332583	152134	100624	119471	102038	275627	212219	65778	175002	188628	422225	159431	114494	263907	151615	197436	160349	729074	297343	350241	173573	187324	174025	83110	174635	212641	137283	102718	161947	53090	112488	81141	173477	238036	87510	315850	163743	224676	161578	220136	75783	236153	106388	177664	191027	194261	183495	61258	243415	197965	100954	117459	110299	393091	125915	179027	183425	188401	141226	241562	237448	215824		330564	178012	211169	325849	250263	89108	180842	323824	305232	213292
2-methoxyresorcinol sulfate	54400	96018	185760		40133	44604	147564	62875	37333			1130656		78562	263400			31764									105690																52516	40487	101644	109523		71637			81804		307898		531045	244138		61012			36522	20574																	26891	127967		112919												25812			33204	192423	44740	48561	30920			34142	66015	66689
2-naphthol sulfate	1300071	805933	515121	4505897	1710050	419401	555335	741527	305800	8133026	1111481	679920	581482	1242226	2417204	337423	3840987	915043	725976	1738854	210470	576958	258516	571860	2963804	609213	813782	2304966	2511415	617385	1237058	485273	3060485	364376	2002316	2990216	664304	2918642	6738183	1396218	1277782	1964847	2571623	3917390	2655250	689151	2027634	751405	4917576	6721924	326477	913461	537384	380981	256586	223492	2531648	536653	306500	522972	365920	557941	4618709	1247578	266995	391709	1189823	997457	471113	3111173	1089583	751865	1719459	424220	659826	667371	1701530	666283	305582	407514	1874660	1252895	310949	970458	621489	2596978	540903	1757674	1935359	511422	2603478	2995761	1390419	502831	741688	2601661	1711928	2970880	1081411	1714974	980538	2690621	4854156	291117	329714	601262
3-acetylphenol sulfate	45133	37600	91160	71995	25398	81901	235810	105164		230777	52209	37480	26281	74361	151560	38323	38229	65599	93065	45905		77326	43425	16669	77521	35066	73083	78714		18038	218926	94011	317877		119396	87210	76279	101076	284851	68735	50749	47022		51112	17664		104315	41092	163341	67892		98190	35287	63420	65887	57612	56030	108407			62265	32453	33971	16195	65725	26078	91709	29279	85314	154651	71211	37246	31119		34189	15586	56158		67124	58856		120499		44542	45167	183731	65611	80807	37900	40644	85656	161889	131720	67160	29616		49428	97582	85627	138117	109255	65963	310670	35244	37704	75331
3-hydroxypyridine sulfate	988675	729789	1039139	1062393	916440	600540	811869	219696	2260710	691071	559577	326470	453929	13712603	13766258	6347732	10492593	7783154	1026739	467674	337637	1169065	566044	333712	2213240	347543	1092828	572301	1359293	1042834	3904557	1145091	2971221	405726	1072350	4775435	1775247	1130453	2551677	820844	1214386	1048033	119927	738146	310962	479371	862216	681615	477263	5250281	535702	1500098	508393	579402	824687	1766984	389243	8385181	161893	271305	295812	563590	346708	371842	883836	800350	3509361	1120013	1199910	2911211	3131327	1257025	804854	308103	3167641	705333	7167988	132865	3481030	4625998	575284	4016636	320913	1250648	749731	1132189	1268273	733689	1310851	1224073	1226958	6648649	911050	1769957	5347275	1147641	1641323	4559286	2978871	5931833	1578811	380661	4096236	677574	2189441	4652938
6-hydroxyindole sulfate	185769	1985056	2005290	1455811	390847	739830	1128180	4077873	1179085	1418346	4422369	1511852	1931614	1199609	1947145	3329936	1373784	1019147	1467760	1185241	805778	1555884	1309058	487905	1704613	633899	1586275	739552	1148838	979030	1108284	1214708	1145895	1450580	652471	1911011	1988926	1336542	2465926	1372560	1149387	590701	1200903	665028	1025819	1762206	980083	419697	1007038	1593043	1069012	667285	3259559	2096656	1925687	1400972	1476157	680287	570538	2377894	3026120	1853646	798057	1853800	3097469	2659130	1185917	1136025	1417923	1836372	435463	1325468	1132584	329712	613018	467120	303037	1512033	559602	1180328	1152737	3942009	1074338	620239	952264	963329	2402131	1999288	482392	579493	2075024	3265638	595902	995423	881455	1110491	500322	557044	1537339	877831	430555	2180895	2691342	1466771	902829	4028232
methylnaphthyl sulfate (1)*	32888	18894		1316383	105474					860005	57820			92327	68409		1030068	56484	53217	267163				31046	584258	15105		1103298	406031	44760	126313	14163	795629	29147	1074505	208962		657778	1762204	121364	49677	1062400	556795	355400	370098		108611	30923	367278	554166	43330	118470		12321			633067	43570				32640	580463	92237			191502	39128		1148141	134336		278817			36658	508309		15100	21171	790703	63071		57712		738812	69747	1002664	124795	40902	600388	1427983	101159	37031	337036	741360	221536	340149	138699	68925	34078	195826	500574			44610
methylnaphthyl sulfate (2)*	800281	256260	58638	845609	1084778	213835	317915	355564	174589	1340016	692270	279192	239062	844920	820631	116294	877682	746919	301621	360971	217043	198049	173638	334530	724660	225822	391331	1069348	684265	315401	616225	227273	653688	192271	376283	1059339	174588	603539	1843497	403484	655851	603148	306208	1315022	837415	310192	1682987	353891	653809	1563072	191191	303238	416204	262471	176211	31278	651261	611367	212108	313828	225495	224231	983662	547853	213206	268193	537815	403981	116697	722255	467502	252401	406649	240267	233285	279017	416174	343387	190258	178845	746667	605772	170775	567838	334546	548303	209954	446980	794664	85421	533204	1210810	426257	360002	199732	428401	735025	820369	457354	1295456	437926	460285	1372555	144918	143797	305227
O-sulfo-L-tyrosine	1763723	1656485	2251385	1659596	1324576	1985900	1623737	1510189	1034405	1544506	2752856	1766553	1492146	1316686	2001777	1337136	1376332	1422132	1818662	1309207	1438177	1884075	1231274	1332333	1478428	1252197	900433	1314009	1542915	1252311	1776397	1390810	1072202	1412595	1246639	1724797	1845855	1660213	2298957	1767913	1353074	1341925	1989575	2333035	1258943	1873598	1110071	1364133	1546501	1240510	993275	1602535	2680083	1506318	1585028	2071633	2245013	1563822	1407035	1746998	2586387	1097263	1679476	1759469	1877430	1285798	1746610	1780760	1834102	1994130	1107124	2206441	1627347	1192274	1623437	1155417	1469861	1125917	1605950	924635	1188484	2153419	1489206	1462334	1191424	1416733	1344192	1388276	1336661	1849012	2057184	2334690	1868201	1691458	1374222	1978247	1619415	1527585	1593637	1335626	1281468	1973416	1620333	867034	2144332	1698134
perfluorooctanoate (PFOA)									50940		54152	64698			113566								138330			127574	60865	70496	44710	57851		73639				39564						88397		45644			56163	29800	91682	26012	28705	53899	54144						42706			50905						95103								158522			156912	34996	58379		40345		78059	38013		47999	39918					46822			51068	47117	23416	46849	30564	101088	39861	30498	60039	41953
sulfate*	186218736	132398768	174896432	119739080	172042816	149884688	136972272	162203072	113961616	148341456	192235376	128673024	156334096	100453976	173888304	173306272	150199792	120325696	132259496	126641176	173825792	174159184	135725600	130197648	158372368	149850592	162754144	152050144	177088080	144102000	137827200	130305200	167267120	148878208	163305936	207775680	142505696	169316592	160920416	142675088	159072752	181918832	146882224	159886816	146845984	133823072	131586432	139935728	118172784	126219848	170527072	184409952	178793168	235844416	176761552	200853392	134417360	198949952	142634128	129246120	157278192	139833744	158000016	163784352	148563488	163823728	127480128	155032928	178694000	173841152	137756880	156335152	169564256	163921488	142446128	152155872	146600864	133291976	162166576	141050752	153934960	190877152	138519552	128194872	123272992	166901376	134389040	164739792	171918528	125930112	162261024	163231680	144524064	172743456	126614648	199944592	126275112	153014272	158765184	139801248	182629360	143535824	129884720	141581648	166981888	172712992
2-hydroxyacetaminophen sulfate*									6152111						2999355																																	5176706	19851684						643847							4306364						15956287								10224387				667404															306503							648610	229268			
2-methoxyacetaminophen glucuronide*									989029						959277																																	757515	3384222						235520							398500						4726126								712658				156715																										
2-methoxyacetaminophen sulfate*									708034						730334																																	1130614	6147443						395899							466496						5799517								4503766				328521																						109211				
3-(methylthio)acetaminophen sulfate*									16426840	45295					3981496					116146																											97119	1324369	6667802						1817578							8087323			1371275			612234					232158			20265172				1557659						315391								640881	279293							506374	109257		396055	
3-(N-acetyl-L-cystein-S-yl) acetaminophen									427710						534537																																	680251	1806218						86340							521608						1027647								1778796				323251																						69517				
4-acetamidophenol		77320			73866				34030428						7125956												23925																					10354052	40696000						3743736							27946080						147850720								52103492			99053	1488013									439673						1473390							657967	191072		317049	
4-acetamidophenylglucuronide		82770							54916060						16200681					21635																												9486377	64105180						3329902							39564888						74710800								62692352				1121063															1317857							1281387	72237			
4-acetaminophen sulfate		48881							67933368	5619					3714559				108481	8719																											6904	3213947	13519824						1701657			1831				68421320			125954			21469786		84579			4806			155275088				573820						149910								107008	3814145							625930	144231		136172	
salicyluric glucuronide*	74079	64620	59926	88904			92667			84308			47789	51275	63709	69211		81548	99793	90293	26372	61977	53302	70001	138933	81664	91896	60081	83175	43600	45849	68503	70788		38744		110214	94132	83236	118916		81338	44982	71457	44767		107627	84534	104738	43852		78514	75542	56168	68461		111493		45241	103642			48366	74591		86770	41816	45642					105336	62850	104322	99298		85429	151947	111661		99657			88528	206453		68969	75123		40129	97683	175321	78007	70902		102810	99103	86371	137165	104514	79100	75173			121063
metronidazole												21567124																																																																																														
N4-acetyl-5-hydroxysulfamethoxazole*									1313916																																																																			10037293				61111															196368											
N4-acetylsulfamethoxazole*									2239148											654148																	654148										26302																					44241								103879832				8370200							15273								654148											
4-hydroxycoumarin	33631		273663	60318	161800	504922	352505	195750			1323459	40551	451475	39792	280878	439882	615686	311443	285679		348330	80429		540272	893746	169325	282706	215469	569165	349322	109500	314623	54060	75702	96432	601290	436180	453300	297202	42570	529569	597446	184177	13590	325279	326667	882058	242720	161805	2171440	162922	83639	1358401	113080	149374	202085	596757	258211	949359	432203	70731	274646	39203	54938	939435	199895	162612	658486	171800	355189	104023	75852		45441	142279		123119	200875	143810	268358	250497	487965	203594	319564	974295	185059	340463	76860	295880	439504	590341	127537	145092	157544	1030701	563408	144525	135555	116187	305737	206931	407638	1522474	377881	44330	242344
1-hydroxy-2-naphthalenecarboxylate	70067	59949		85792	62955	47089	39337	67922	62614	57107	68262	49116	56509	55658	416059	38379	63778	89271	60847	24187		33406	37857	54021	29023	60341	77361	70091	61290	50609	83002	45157	75719	24976	57107	123218	42713	60992	127733	64472	111419	45327		39123	67167	66310	78286	60084	35991	78624	35642	49826	132065	59018	55461		96067	56077	44316	38915	55225	42939	54708	92394	50721	47078	87792	193153		79043	61920	72431	31798	51030	31485	43200		72063	52307	85026	47772	133128	40257	44366	46261	71133	44373	42496	132890	47597	50296	111552	69519	91688	40051		33497	90067	97155	64120	66311	27239	82715		46396	122792
2,6-dihydroxybenzoic acid	18379978	6341968	24865238	13251579	5714806	16549734	32959494	38379980	9409164	27829992	40262940	55273520	23964324	10221980	18065038	5565567	9924970	16117564	17129462	7961929	14647454	17359520	8889303	9016170	17977540	20932638	16603921	18018944	11146711	5860649	10666259	15147137	16461792	6100005	20320078	20336118	21501904	13665233	22769648	5770798	25825336	20993298	13016256	11703195	10678447	13517686	17384610	4084465	23095214	21084610	4825718	30562968	17576578	15374025	11146501	23275734	21154376	8620054	5777762	8697139	13403649	14474721	20100222	16631214	30438020	13068300	25096768	15390625	8185775	6167696	12193464	12591422	14859252	23698138	18753690	7495700	25960216	6247534	9323115	17246484	12932595	31739940	3751839	11889330	20389056	11851343	10593932	14726562	49716060	38092868	20378530	26743776	30286728	31320106	20148502	20672000	7807165	35383996	16816814	30009722	19531468	21743456	46055460	7842504	18338772	20509930
hydroquinone sulfate	92116	91521	233995	157899	109000	456639	320741	796319	342451	205295	580375	565950	191486	263180	341672	157287	482756	265472	279026	134407	41129	178611	115680	98192	229683	157647	96075	1573875	816385	95358	2171119	408433	443050	329369	126794	252076	261035	158821	256470	334309	125778	128878	134066	280892	92306	79526	148783	105394	407905	277332	337772	267042	287011	169792	446076	371836	375242	284328	240404	169123	1118744	170635	243537	263898	183493	201389	227211	420692	205367	235477	263569	457871	346878	124904	540583	321311	321359	160853	347773	238626	42935	409876	201188	332882	172679	363095	608859	274261	214102	360357	354146	394570	358026	156996	371288	68431	101390	163454	500795	315826	166833	305413	318371	241033	153238	471211
(2,4 or 2,5)-dimethylphenol sulfate	443610	252451	231331	555685	282779	196771	187597	237753	146998	430356	338485	185900	173368	463063	548635	287831	368765	297087	98260	153725	87180	289964	134581	199681	341572	227538	260360	264945	298617	149373	387141	284379	743232	106160	206559	761436	325057	474490	1442955	541103	192871	265019	158677	296073	210798	176567	1034020	272409	388463	236226	142176	344600	243763	260213	159444	118682	154386	327041	99991	84967	199742	270098	259199	240624	222043	101764	786095	381491	381040	494566	558445	117095	224959	144220	449184	288646	172882	149044	283033	427492	117678	690494	99328	257300	296602	276916	251053	242457	362486	390464	427910	512157	570248	377224	251458	233936	387650	282358	499205	719510	309997	167389	617120	134246	449644	417050
4-allylphenol sulfate	11211877	68821080	95949632	61184036	257831152	133682808	182550448	75266896	7958869	67283208	315298688	70786416	131917680	85365416	20998924	14094537	25441356	141784976	3019734	31563050	15948723	32291256	13803358	809518	1323912	598078	979152	2111972	776127	193319	1362940	2079940	1810326	246247	1312705	15325271	395799	949095	2040466	1091385	8174376	553754	648346	3695020	2106622	1588681	1995567	9867456	53752208	85938448	181278	1172464	2153597	630971	43583816	47590360	557041	4983669	8343415	373596	455929	642623	1283418	601116	207654	702878	431126	361162	600093	632989	871633	499956	134966	392632	572023	520250	370248	482278	516715	1534107	788165	1726981	278079	1764892	1881026	2777135	529523	858058	2114520	145604	1027959	870730	3195094	394073	300063	667860	471266	308101	1438964	2010061	625644	1234218	2782284	113692	1391242	6690990
4-vinylguaiacol sulfate	514818	463812	787915	1359138	301216	402520	839757	2533737	1998756	667873	1092990	546598	265952	5908165	7581399	2492226	4220355	2517642	541549	1045795		677255	325817	46573	970115	584593	216305	556487	2232253	261896	13239034	2962201	2512858	216569	869894	895196	518288	849809	1954348	527033	293803	563113	144852	500388	408637	281781	2654950	433554	1363855	853280	499438	1101157	110484	578151	933663	1207923	2633259	4412396	565531	1280137	2610868	608097	1524664	623492	628789	478908	2031890	2481909	1833592	2616772	1432846	2479167	729052	1418312	838240	441121	4568231		789376	1767367		2242678		3718649	1524887	5696277	4263275	2084243	1298571	2069688	2589215	8895956	1527830	1067725	1099179	1067307	2992591	4658253	2710096	1672121	1487584	1547237	3812381	1045882	1103100	3831131
acesulfame																											79569		72593			42727	111562																		19597																									49468																				159704										
cinnamoylglycine	668201	1287365	1305453	463184	998849	1562365	735858	1179301	518169	409841	938696	372592	5146622	515143	2355822	1137386	558014	2927927	1597767	2238769	19102494	719504	406409	3025801	9754494	733003	2552966	4457273	389719	1097180	1732443	2383853	360831	264856	1278644	1467109	1449409	680992	814831	294352	2131686	1074894	4541108	595604	2622390	5797426	1038760	983268	723590	11980997	936269	1548593	5383332	580953	693638	467652	712474	349459	1334861	443235	377156	2848470	254336	1249711	2416756	615549	893638	3643902	676772	778659	627058	729951	549945	7050806	1395965	56734	948098	831323	1189549	1586862	1985643	1257974	3268645	2367470	1646072	1174884	1633256	1584452	1114220	1418181	1443072	595528	1539945	668799	375647	602635	786185	1685686	231090	788615	954687	818318	1172640	4214824	600916	922704
eugenol sulfate	159802	126120	58064	61398		47265	134518	473208	109828	90045	59747	84398	33275		38015				68909	39448	22505	258781	66878		276647	125725	476944	153787	226028	361776	380655	334742	1586216	181828	1075312	118720	40343	227230	800061	612122	25990	1243831	59849	783323		447160	713947	56227	439283	188573	354700	1696510	400270	266367	549235	278505	80341	1175972		46971		45431	81176	1085668	39016	18438	95779	180149	166022	949113	320095	74316		158106	366367	113688			187329	113949	25196	1327609		50502	45807	281735	532344	1051643	112338	33723	96912	111993	463675	262987	651171			145435	829127	278978	662060	505814	676436	590872	202866	1788847
isoeugenol sulfate	567773	82255		468233	177276	31435	54239	99368	38910	130668	147937	35636	22232	164727	274545	163020	110207	120674	44378	78863		122525	51247	20678	95557	122987	67130	132473	165098	84829	283694	116365	533724	83686	1344892	327978	210602	386845	991908	213949	82339	220251	59511	239229	111280	89572	1180419	321955	188099	92125	189648	153330	66733	183204	62649	27379	52485	132302			56217	187702	56520	134832	197531		971247	307049	218348	308091	356057	47336	150499	61805	135937	177046		24245	181284	783786	43820	976295		131322	233429	129193	145911	178478	128158	233370	244499	534466	414507	304823	157096	96051	374351	474635	470370	384582	596313	63897	299242	88133	99812	444283
methyl glucopyranoside (alpha + beta)	533487	691221	1442658	921171	1404782	580730	1231745	1368775	322158	905535	2120192	1693446	1697867	910831	800555	325831	787554	1370134	534481	372744	600824	1121774	450481	1034016	2147522	244277	1557701	357119	212726	176087	1077988	1391899	372877	221310	1103572	483598	521836	437558	506732	216271	332623	664031	416966	486818	520437	616120	227415	208522	876691	1228607	2980335	888648	538355	558609	629140	749812	400612	178229	234271	202786	394601	329510	201728	194790	1337641	356733	429931	262189	202197	417543	317328	351627	262894	368927	398249	308896	650729	701505	243798	381914	214783	428171	195446	1028039	642059	819173	213530	1153577	347212	459099	397068	348757	533869	320013	292982	226692	384977	803265	692089	225687	130083	210606	561965	479481	1016724	394113
N-(2-furoyl)glycine	233956	151802	137549	87440	111204	266038	370076	75630	171142	169606	194945	118111	134831	654663	890413	184860	278180	213000	42592			556734	210145	41518	144116	126798	381899		132377	130541	329516	205922	427545	71920	84133	187359	91487	104101	376249	167945	95899	130670		89567	74372		176170	151998	280065		212492	199374		97601	164797	178193	85504	434649		110216		122735	71170	78013	168161	102818	504831	87080	90743	398797	373235	95632	81182		297899	120966	479681		644377	798860		1132533	65912	115702	82446	259903	530661	167737	72171	130195	199165	1314013	129562	476250	824584	169011	252379	930666	1186674	591439	324373	56196	378422	75675	752332	603197
pyrraline	57996	61867		53184		45365	85085	32693	320395		395288	104631	47168	1145809	1630817	296125	1014925	854445	65984	134255		136662	73352	200699	20565	88280	124197		133328	101081	144235	235055	50348	111820	59105	30321		45261	51861	35825	26615	181500	36906	226848	59136		145479		80159	30918	176237	125121	39015	340296	39454		32543	311331			54531	173410	48279	135107	77722	74425	156714	142026		70276	345224	45317	107514	114815	573740	236762	610620	70222	49924	87610	236154	183337	142166	32154	49976	41931	309904	37582		17177	131774	48350		87829	215958		496828	68729	46211	1180152	226255		40633	115657	86316	368350
saccharin																														620021														734676																																																														
syringol sulfate	225556	47234	24752	132263	41857	18793				95949	130647			79498	110632		76067	79235		25199		69075	29767		32387	33235		194558	61180	91222	221591	122489	178842	29456	50481	221752	66123	163102	560118	122926	34143	47895			23843		204065	139769	360878	41446		72172		31888	59608			161022				146575	53228	52121	42188		342928	73945		236423	221885				76766				120884	302864	14509	385493			95538	55985	51840	57477	47326	94682	115128	239803	84671	290112	202761		106891	176178	242215	532127	153990	116932	151558		120532	225465
tartronate (hydroxymalonate)	5403593	5716400	7375747	5417436	6551460	7086244	6013546	6567780	4981807	6545546	7183945	6963129	7098706	6688609	5792215	4896715	5667584	7130665	4213107	5893293	4846161	4429594	5194076	2694537	4094879	1647336	4683941	5960597	1689252	2387276	5282675	3903415	3320984	2438550	4106677	5214462	2119674	3140320	1633333	1858112	4083243	1531359	1611308	1619130	1642735	1418799	2299359	4190767	6306641	6243555	3465596	2124578	1465846	1161474	5353052	6002846	2623935	3526718	5493435	3145863	3316694	1817190	4234353	1728469	3396194	2294208	1150351	1219458	1720772	1980358	2094345	1403008	1683325	1992232	1168784	1920700	5531856	1356440	1998059	4147638	3261850	865507	1778246	4524325	3168069	2328444	1828343	4485504	2563807	838795	1499140	926313	1371546	1566968	904961	1234616	1224293	1770739	1317364	2847074	997677	3166397	1224417	2918290	1816090	1037673
thymol sulfate						46461	38837			123628				93114	57859		51002									36712						21367			80887	155453			151812								107817																141373		136905		105346			282547	106642			167922					63114			78378				14618			137741				170289	79076			123798		78100	122613			32204		70223	
2-hydroxyfluorene sulfate	418727	224896	118097	775583	1335278	213870	304252	246644	110946	1313511	406380	202006	177663	451869	776325	87373	994918	520946	246775	490363	120159	184291	126652	328792	546492	173575	272045	1148450	622677	202363	419319	176229	813980	119873	482076	965286	141347	574473	1686635	234080	410470	568747	307931	1731591	875996	253213	1244321	228356	562076	1737152	153008	142947	289911	171420	159992		534073	661033	160788	295857	96007	137193	1145986	418429	95079	129216	349218	174696	69735	901218	322108	232561	343798	147585	192039	192811	305062	344033	112172	118445	1095385	236306	120649	455292	167908	575034	99343	369300	695856	82209	444203	974063	261037	166960	260232	300703	816982	640519	180079	1034430	172220	446464	1350710	104240	99989	147091
1,7-dimethylurate		42114	549187																								168796		76986																					676335																440565														233940																		152713								
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	SUPER_PATHWAY	SUB_PATHWAY	COMP_ID	PLATFORM	CHEMICAL_ID	retention index	MASS	CAS	PUBCHEM	CHEMSPIDER	KEGG	HMDB_ID
N-acetylaspartate (NAA)	Amino Acid	Alanine and Aspartate Metabolism	22185	LC/MS Neg	100000787	620.5	174.04079	997-55-7;997-55-7	65065	58576	C01042	HMDB00812
beta-citrylglutamate	Amino Acid	Glutamate Metabolism	54923	LC/MS Neg	100003271	530	320.06232	73590-26-8	72715786	19992713	C20775
N-acetyl-aspartyl-glutamate (NAAG)	Amino Acid	Glutamate Metabolism	35665	LC/MS Neg	100001612	575.3	303.08339	3106-85-2	5255	5065	C12270	HMDB01067
5-oxoproline	Amino Acid	Glutathione Metabolism	1494	LC/MS Neg	1021	738.5	128.03531	98-79-3	7405	7127	C01879	HMDB00267
N-acetylthreonine	Amino Acid	Glycine, Serine and Threonine Metabolism	33939	LC/MS Neg	100001274	821.6	160.06153	17093-74-2	152204	3841173		HMDB62557
histidine	Amino Acid	Histidine Metabolism	59	LC/MS Neg	355	755.9	154.0622	5934-29-2	6274	752	C00135	HMDB00177
N-acetylcarnosine	Amino Acid	Histidine Metabolism	43488	LC/MS Neg	100004046	1235	267.10988	56353-15-2	9903482	8079136		HMDB12881
1-carboxyethylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62558	LC/MS Neg	100020427	2628	202.10848
1-carboxyethylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62559	LC/MS Neg	100020425	2663	202.10848
1-carboxyethylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	62562	LC/MS Neg	100020423	2008	188.09283
2,3-dihydroxy-2-methylbutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	57547	LC/MS Neg	100010869	787	133.05063	14868-24-7	301941	266858		HMDB29576
2-hydroxy-3-methylvalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	36746	LC/MS Neg	100001541	1800	131.07136	488-15-3	164623	144317		HMDB00317
3-hydroxy-2-ethylpropionate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	32397	LC/MS Neg	100001170	975	117.05571	4374-62-3	188979	164207		HMDB00396
3-methyl-2-oxobutyrate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	44526	LC/MS Neg	100000936	1465	115.04006	3715-29-5	49	48	C00141	HMDB00019
3-methyl-2-oxovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	15676	LC/MS Neg	100000036	2064.2	129.05572	1460-34-0;51829-07-3	47	46	C00671	HMDB03736
4-methyl-2-oxopentanoate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	22116	LC/MS Neg	100000551	2170	129.05571	816-66-0	70	69	C00233	HMDB00695
alpha-hydroxyisocaproate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	22132	LC/MS Neg	100000706	1840	131.07136	10303-64-7	83697	75520	C03264	HMDB00746
beta-hydroxyisovalerate	Amino Acid	Leucine, Isoleucine and Valine Metabolism	12129	LC/MS Neg	1442	1027	117.05572	625-08-1	69362	62571		HMDB00754
isobutyrylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35437	LC/MS Neg	100001590	1420	144.06661	15926-18-8	10855600	9030891		HMDB00730
isovalerate (i5:0)	Amino Acid	Leucine, Isoleucine and Valine Metabolism	44656	LC/MS Neg	100000708	1564	101.0608	503-74-2	10430	10001	C08262	HMDB00718
isovalerylglycine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	35107	LC/MS Neg	100001452	1950	158.08226	16284-60-9	546304	475516		HMDB00678
N-acetylisoleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	33967	LC/MS Neg	100001276	2325	172.09791	3077-46-1	306109	2081100		HMDB61684
N-acetylleucine	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1587	LC/MS Neg	1082	2400	172.09791	1188-21-2	70912	64075	C02710	HMDB11756
N-acetylvaline	Amino Acid	Leucine, Isoleucine and Valine Metabolism	1591	LC/MS Neg	1084	1704	158.08226	96-81-1	66789	60154		HMDB11757
2-aminoadipate	Amino Acid	Lysine Metabolism	6146	LC/MS Neg	381	639.2	160.06153	542-32-5;1118-90-7	469	456	C00956	HMDB00510
6-oxopiperidine-2-carboxylate	Amino Acid	Lysine Metabolism	43231	LC/MS Neg	100004499	965	142.05096	34622-39-4	3014237	2282737		HMDB61705
N6-acetyllysine	Amino Acid	Lysine Metabolism	36752	LC/MS Neg	100001734	1059	187.10881	692-04-6	92832	83801	C02727	HMDB00206
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	62805	LC/MS Neg	100020893	1156	177.0227
N-acetylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	1589	LC/MS Neg	1083	1787	190.05434	65-82-7	448580	395338	C02712	HMDB11745
N-acetyltaurine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	48187	LC/MS Neg	100005466	800	166.01795		159864	140553
N-formylmethionine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	2829	LC/MS Neg	194	1543.8	176.03869	4289-98-9	439750	388809	C03145	HMDB01015
S-adenosylhomocysteine (SAH)	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	42382	LC/MS Neg	197	1832.4	383.11431	979-92-0	439155	16788012	C00021	HMDB00939
S-methylcysteine	Amino Acid	Methionine, Cysteine, SAM and Taurine Metabolism	39592	LC/MS Neg	100002749	880	134.02812	1187-84-4	24417	22826		HMDB02108
1-carboxyethylphenylalanine	Amino Acid	Phenylalanine Metabolism	62566	LC/MS Neg	100020419	2844	236.09283			19276386
4-hydroxyphenylacetate	Amino Acid	Phenylalanine Metabolism	541	LC/MS Neg	144	1361	151.04007	156-38-7	127	3881560	C00642	HMDB00020
N-acetylphenylalanine	Amino Acid	Phenylalanine Metabolism	33950	LC/MS Neg	100001256	2597	206.08226	2018-61-3	74839	67404	C03519	HMDB00512
phenylacetate	Amino Acid	Phenylalanine Metabolism	57745	LC/MS Neg	100000011	2150	91.05535	103-82-2	999	10181341	C07086	HMDB00209
phenyllactate (PLA)	Amino Acid	Phenylalanine Metabolism	22130	LC/MS Neg	100000774	2208	165.05571	828-01-3	3848	3715	C05607	HMDB00779
4-acetamidobutanoate	Amino Acid	Polyamine Metabolism	1558	LC/MS Neg	1113	894	144.06661	3025-96-5	18189	17180	C02946	HMDB03681
acisoga	Amino Acid	Polyamine Metabolism	43258	LC/MS Neg	100004541	2297	183.1139	106692-36-8	129397	114601
3-indoxyl sulfate	Amino Acid	Tryptophan Metabolism	27672	LC/MS Neg	100000467	2222.2	212.0023	2642-37-7	10258	9840		HMDB00682
5-hydroxyindole sulfate	Amino Acid	Tryptophan Metabolism	52914	LC/MS Neg	100009042	1928	212.0023
5-hydroxyindoleacetate	Amino Acid	Tryptophan Metabolism	437	LC/MS Neg	71	1510.2	190.05096	54-16-0	1826	1760	C05635	HMDB00763
6-bromotryptophan	Amino Acid	Tryptophan Metabolism	62503	LC/MS Neg	100020414	3565	280.99311
7-hydroxyindole sulfate	Amino Acid	Tryptophan Metabolism	52915	LC/MS Neg	100009043	1765	212.0023
C-glycosyltryptophan	Amino Acid	Tryptophan Metabolism	48782	LC/MS Neg	100006379	1777	365.13542	180509-18-6	10981970	9157171
indole-3-carboxylate	Amino Acid	Tryptophan Metabolism	38116	LC/MS Neg	100002185	1710	160.0404	771-50-6	69867		C19837	HMDB03320
indoleacetate	Amino Acid	Tryptophan Metabolism	27513	LC/MS Neg	100001034	2200	174.05605	6505-45-9	802	780	C00954	HMDB00197
indolelactate	Amino Acid	Tryptophan Metabolism	18349	LC/MS Neg	100000463	2286	204.06661	832-97-3	92904	83867	C02043	HMDB00671
indolepropionate	Amino Acid	Tryptophan Metabolism	32405	LC/MS Neg	100001083	2795	188.0717	830-96-6	3744	3613		HMDB02302
indolepropionylglycine	Amino Acid	Tryptophan Metabolism	54917	LC/MS Neg	100010863	2926	245.09316		7677842	5990843
kynurenate	Amino Acid	Tryptophan Metabolism	1417	LC/MS Neg	98	2224	188.03531	492-27-3	3845	3712	C01717	HMDB00715
N-formylanthranilic acid	Amino Acid	Tryptophan Metabolism	43549	LC/MS Neg	100004561	2150	164.03531	3342-77-6	101399	91624	C05653	HMDB04089
1-carboxyethyltyrosine	Amino Acid	Tyrosine Metabolism	62564	LC/MS Neg	100020421	1846	252.08774
3-(4-hydroxyphenyl)lactate	Amino Acid	Tyrosine Metabolism	32197	LC/MS Neg	240	1379	181.05063	6482-98-0	9378	9010	C03672	HMDB00755
3-methoxytyramine sulfate	Amino Acid	Tyrosine Metabolism	44618	LC/MS Neg	100004634	1722	246.04416			21233674
4-hydroxyphenylpyruvate	Amino Acid	Tyrosine Metabolism	1669	LC/MS Neg	1141	1690	179.03498	156-39-8	979	954	C01179	HMDB00707
dopamine 3-O-sulfate	Amino Acid	Tyrosine Metabolism	48407	LC/MS Neg	100006361	1556.2	232.02845		122136	108936	C13690	HMDB06275
dopamine 4-sulfate	Amino Acid	Tyrosine Metabolism	48406	LC/MS Neg	100006360	1511	232.02848		123932	110461	C13691	HMDB04148
homovanillate (HVA)	Amino Acid	Tyrosine Metabolism	1101	LC/MS Neg	117	1649	181.05063	306-08-1	1738	5323114	C05582	HMDB00118
N-acetyltyrosine	Amino Acid	Tyrosine Metabolism	32390	LC/MS Neg	100001104	1680	222.07718	537-55-3	68310	61606		HMDB00866
N-formylphenylalanine	Amino Acid	Tyrosine Metabolism	48433	LC/MS Neg	100006056	2360	192.06661	13200-85-6	759256	663938
p-cresol glucuronide*	Amino Acid	Tyrosine Metabolism	48841	LC/MS Neg	100006191	2420	283.08232	17680-99-8	154035	135751		HMDB11686
phenol glucuronide	Amino Acid	Tyrosine Metabolism	52747	LC/MS Neg	100006679	1800	269.06667	17685-05-1	87235	78692		HMDB60014
phenol sulfate	Amino Acid	Tyrosine Metabolism	32553	LC/MS Neg	100001510	2156	172.9914	937-34-8	74426	67018	C02180	HMDB60015
thyroxine	Amino Acid	Tyrosine Metabolism	2761	LC/MS Neg	1094	4808	775.67944	51-48-9	5819	5614	C01829	HMDB01918
tyramine O-sulfate	Amino Acid	Tyrosine Metabolism	48408	LC/MS Neg	100006092	1565	216.0336	30223-92-8	153005	134849		HMDB06409
vanillactate	Amino Acid	Tyrosine Metabolism	54910	LC/MS Neg	100006129	1625	211.06119	2475-56-1	160637	141152		HMDB00913
vanillylmandelate (VMA)	Amino Acid	Tyrosine Metabolism	1567	LC/MS Neg	1111	941	197.04555	55-10-7	1245	1207	C05584	HMDB00291
N-delta-acetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43249	LC/MS Neg	100004523	858	173.09316		9920500	8096135
N2,N5-diacetylornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43591	LC/MS Neg	100004575	1367	215.10373	39825-23-5	65977	8573834
1,5-anhydroglucitol (1,5-AG)	Carbohydrate	Glycolysis, Gluconeogenesis, and Pyruvate Metabolism	20675	LC/MS Neg	100000580	802	163.06119	154-58-5	64960		C07326	HMDB02712
oxalate (ethanedioate)	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	20694	LC/MS Neg	100000841	603	88.98803	144-62-7	971	946	C00209	HMDB02329
pantothenate	Cofactors and Vitamins	Pantothenate and CoA Metabolism	1508	LC/MS Neg	1024	1498.7	218.10339	137-08-6	6613	6361	C00864	HMDB00210
gamma-CEHC	Cofactors and Vitamins	Tocopherol Metabolism	44876	LC/MS Neg	100002094	3843	263.12888	178167-75-4	133098	117455		HMDB01931
pyridoxate	Cofactors and Vitamins	Vitamin B6 Metabolism	31555	LC/MS Neg	100001121	2185	182.04588	82-82-6	6723	6467	C00847	HMDB00017
2-methylcitrate/homocitrate	Energy	TCA Cycle	52282	LC/MS Neg	100008929	575	205.03538		515;439459
aconitate [cis or trans]	Energy	TCA Cycle	46173	LC/MS Neg	100001359	580	173.00916
malate	Energy	TCA Cycle	1303	LC/MS Neg	409	615.6	133.01425	6915-15-7	525	510	C00149	HMDB00156
16a-hydroxy DHEA 3-sulfate	Lipid	Androgenic Steroids	38168	LC/MS Neg	100002126	4240	383.15338
androstenediol (3alpha, 17alpha) monosulfate (3)	Lipid	Androgenic Steroids	37209	LC/MS Neg	100002027	5180	369.17411
androstenediol (3beta,17beta) disulfate (1)	Lipid	Androgenic Steroids	37202	LC/MS Neg	100001992	3740	224.06182		87120982		C04295	HMDB03818
androstenediol (3beta,17beta) disulfate (2)	Lipid	Androgenic Steroids	37203	LC/MS Neg	100001994	4065	224.0624		87120982		C04295	HMDB03818
androsterone sulfate	Lipid	Androgenic Steroids	31591	LC/MS Neg	100001073	5022	369.17411	2479-86-9	159663	19988780		HMDB02759
dehydroepiandrosterone sulfate (DHEA-S)	Lipid	Androgenic Steroids	32425	LC/MS Neg	100000792	4745	367.15846	651-48-9	12594	12074	C04555	HMDB01032
corticosterone	Lipid	Corticosteroids	5983	LC/MS Neg	272	5040	345.20713	50-22-6	5753	5550	C02140	HMDB01547
cortisol	Lipid	Corticosteroids	1712	LC/MS Neg	356	4710	361.20204	50-23-7	5754		C00735	HMDB00063
cortisone	Lipid	Corticosteroids	1769	LC/MS Neg	273	4575	359.18639	53-06-5	222786	361685	C00762	HMDB02802
tetrahydrocortisol sulfate (1)	Lipid	Corticosteroids	62793	LC/MS Neg	100020848	4276	445.19016
14-HDoHE/17-HDoHE	Lipid	Docosanoid	53034	LC/MS Neg	100009278	5296	343.22786
12-HETE	Lipid	Eicosanoid	37536	LC/MS Neg	100002167	5326	319.22786	71030-37-0;73837-14-6	5312983	21509475		HMDB06111
12-HHTrE	Lipid	Eicosanoid	57393	LC/MS Neg	1261	5175	279.19657	54397-84-1	5283141	4446265	C20388	HMDB12535
thromboxane B2	Lipid	Eicosanoid	17807	LC/MS Neg	1308	4526	369.22826	54397-85-2	5283137	4446261	C05963	HMDB03252
N-linoleoyltaurine*	Lipid	Endocannabinoid	61826	LC/MS Neg	100005814	5505	386.23705
N-oleoylserine	Lipid	Endocannabinoid	57664	LC/MS Neg	100015641	5600	368.28063			21466990
N-palmitoylserine	Lipid	Endocannabinoid	57659	LC/MS Neg	100015640	5557	342.26498	58725-46-5;474943-14-1	6453686	4956046
N-stearoylserine*	Lipid	Endocannabinoid	61822	LC/MS Neg	100019957	5777	370.29628			15545488
N-stearoyltaurine	Lipid	Endocannabinoid	39730	LC/MS Neg	100003240	5782	390.26835	63155-80-6	168274	147194
oleoyl ethanolamide	Lipid	Endocannabinoid	38102	LC/MS Neg	1137	6450	324.2908	11-58-0;111-58-0	5283454	4446574		HMDB02088
hexanoylglutamine	Lipid	Fatty Acid Metabolism (Acyl Glutamine)	54907	LC/MS Neg	100001733	2780	243.13503
hexanoylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	35436	LC/MS Neg	100001527	2900	172.09791	24003-67-6	99463	89859		HMDB00701
N-palmitoylglycine	Lipid	Fatty Acid Metabolism (Acyl Glycine)	42092	LC/MS Neg	100003686	5580	312.25441	2441-41-0	151008	133100		HMDB13034
propionylglycine	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	31932	LC/MS Neg	100001150	960	130.05096	21709-90-0	98681	89122		HMDB00783
N-linoleoylserine*	Lipid	Fatty Acid, Amide	61823	LC/MS Neg	100019958	5492	366.26497
N-acetyl-2-aminooctanoate*	Lipid	Fatty Acid, Amino	62059	LC/MS Neg	100020204	3943	200.12921		95555	86248		HMDB59745
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	Lipid	Fatty Acid, Dicarboxylate	61871	LC/MS Neg	100020004	4000	267.12379		194501	168762
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	Lipid	Fatty Acid, Dicarboxylate	31787	LC/MS Neg	100001178	2800	239.09249	86879-39-2	123979	110498		HMDB61112
3-hydroxydodecanedioate*	Lipid	Fatty Acid, Dicarboxylate	62915	LC/MS Neg	100001454	2252	245.13944	34574-69-1	16663321	13628081		HMDB00413
azelate (C9-DC)	Lipid	Fatty Acid, Dicarboxylate	18362	LC/MS Neg	2029	1276	187.09758	123-99-9	2266	2179	C08261	HMDB00784
dodecadienoate (12:2)*	Lipid	Fatty Acid, Dicarboxylate	62276	LC/MS Neg	100020478	5146	195.13905
dodecanedioate (C12-DC)	Lipid	Fatty Acid, Dicarboxylate	32388	LC/MS Neg	100001102	2990	229.14453	693-23-2	12736	12213	C02678	HMDB00623
dodecenedioate (C12:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	61864	LC/MS Neg	100019972	2700	227.12887
eicosanedioate (C20-DC)	Lipid	Fatty Acid, Dicarboxylate	39831	LC/MS Neg	100002951	5200.9	341.26973	2424-92-2	75502	68030
eicosenedioate (C20:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	62923	LC/MS Neg	100021105	5095	339.25407
hexadecanedioate (C16-DC)	Lipid	Fatty Acid, Dicarboxylate	35678	LC/MS Neg	100001614	4615	285.20713	505-54-4	10459	10027	C19615	HMDB00672
hexadecenedioate (C16:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	61862	LC/MS Neg	100019975	4380	283.19148
hydroxy-CMPF*	Lipid	Fatty Acid, Dicarboxylate	62277	LC/MS Neg	100019794	1516	255.08741
octadecadienedioate (C18:2-DC)*	Lipid	Fatty Acid, Dicarboxylate	61860	LC/MS Neg	100019982	4676	309.20714
octadecanedioate (C18-DC)	Lipid	Fatty Acid, Dicarboxylate	36754	LC/MS Neg	100001615	5043	313.23843	871-70-5	70095	63283		HMDB00782
octadecenedioate (C18:1-DC)	Lipid	Fatty Acid, Dicarboxylate	61861	LC/MS Neg	100019978	4875	311.22279
tetradecadienedioate (C14:2-DC)*	Lipid	Fatty Acid, Dicarboxylate	62918	LC/MS Neg	100021100	3148	253.14453
tetradecanedioate (C14-DC)	Lipid	Fatty Acid, Dicarboxylate	35669	LC/MS Neg	100001613	3985	257.17583	821-38-5	13185	12630		HMDB00872
tridecenedioate (C13:1-DC)*	Lipid	Fatty Acid, Dicarboxylate	62919	LC/MS Neg	100002199	3051	241.14453
undecanedioate (C11-DC)	Lipid	Fatty Acid, Dicarboxylate	42395	LC/MS Neg	100001617	2440	215.12888	1852-04-6	15816	15037		HMDB00888
12,13-DiHOME	Lipid	Fatty Acid, Dihydroxy	38395	LC/MS Neg	62	5137	313.23843	263399-35-5	10236635	8412123	C14829	HMDB04705
9,10-DiHOME	Lipid	Fatty Acid, Dihydroxy	38399	LC/MS Neg	179	5180	313.23843	263399-34-4	9966640	8142232	C14828	HMDB04704
13-HODE + 9-HODE	Lipid	Fatty Acid, Monohydroxy	37752	LC/MS Neg	100002196	5275	295.22825		43013
2-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	42489	LC/MS Neg	100004089	4840	187.13396	5393-81-7	21488	20195
2-hydroxynervonate*	Lipid	Fatty Acid, Monohydroxy	61698	LC/MS Neg	100015638	6345	381.33742		5312783	4472208
2-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	22036	LC/MS Neg	100000743	3736.8	159.10266	617-73-2	94180	84994		HMDB02264
2-hydroxypalmitate	Lipid	Fatty Acid, Monohydroxy	35675	LC/MS Neg	100001579	5511.2	271.22786	764-67-0	92836	83805		HMDB31057
2-hydroxystearate	Lipid	Fatty Acid, Monohydroxy	17945	LC/MS Neg	1239	5695	299.25917	629-22-1	69417	62625	C03045
3-hydroxydecanoate	Lipid	Fatty Acid, Monohydroxy	22053	LC/MS Neg	100000997	4634.7	187.13396	5561-87-5	26612	24790		HMDB02203
3-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	53230	LC/MS Neg	100006367	1725	131.07136	10191-24-9	151492	133518
3-hydroxylaurate	Lipid	Fatty Acid, Monohydroxy	32457	LC/MS Neg	100001112	5175	215.16526	53941-38-1	94216	85026		HMDB00387
3-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	22001	LC/MS Neg	100000773	3446	159.10266	88930-08-9	26613	24791		HMDB01954
3-hydroxyoleate*	Lipid	Fatty Acid, Monohydroxy	61843	LC/MS Neg	100019966	5508	297.24351
5-hydroxyhexanoate	Lipid	Fatty Acid, Monohydroxy	31938	LC/MS Neg	100001148	1267	131.07136	44843-89-2	170748	149280		HMDB00525
8-hydroxyoctanoate	Lipid	Fatty Acid, Monohydroxy	21239	LC/MS Neg	100000956	2300	159.10266	764-89-6	69820	63018		HMDB61914
alpha-hydroxycaproate	Lipid	Fatty Acid, Monohydroxy	37073	LC/MS Neg	100001723	1920	131.07136	6064-63-7	99824	90191		HMDB01624
glycerol	Lipid	Glycerolipid Metabolism	15122	LC/MS Neg	1254	758	91.04007	56-81-5	753	733	C00116	HMDB00131
10-heptadecenoate (17:1n7)	Lipid	Long Chain Monounsaturated Fatty Acid	33971	LC/MS Neg	100001278	5555	267.23295	29743-97-3	5312435	4471860		HMDB60038
eicosenoate (20:1)	Lipid	Long Chain Monounsaturated Fatty Acid	33587	LC/MS Neg	100001335	5950	309.2799		5282768	4445895	C16526	HMDB02231
erucate (22:1n9)	Lipid	Long Chain Monounsaturated Fatty Acid	1552	LC/MS Neg	1087	6355.6	337.3112	112-86-7	5281116	7924	C08316	HMDB02068
myristoleate (14:1n5)	Lipid	Long Chain Monounsaturated Fatty Acid	32418	LC/MS Neg	100001198	5346.9	225.186	544-64-9	5281119	4444564	C08322	HMDB02000
oleate/vaccenate (18:1)	Lipid	Long Chain Monounsaturated Fatty Acid	52285	LC/MS Neg	100008930	5655	281.2486		445639;5282761;5281127
palmitoleate (16:1n7)	Lipid	Long Chain Monounsaturated Fatty Acid	33447	LC/MS Neg	452	5475	253.2173	373-49-9	445638	393216	C08362	HMDB03229
adrenate (22:4n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32980	LC/MS Neg	100001193	5678	331.26425	2091-25-0	5497181	4445971	C16527	HMDB02226
arachidonate (20:4n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1110	LC/MS Neg	229	5535	303.23295	506-32-1	444899	392692	C00219	HMDB01043
dihomo-linoleate (20:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	17805	LC/MS Neg	1231	5730	307.26425	2091-39-6	6439848	4944228	C16525	HMDB05060
dihomo-linolenate (20:3n3 or n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	35718	LC/MS Neg	100001739	5596	305.2486	17046-59-2	5280581	4471954	C03242	HMDB02925
docosadienoate (22:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32415	LC/MS Neg	100001182	6034	335.29555	7370-49-2	5282807	4445934	C16533	HMDB61714
docosahexaenoate (DHA; 22:6n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	44675	LC/MS Neg	100000665	5525	327.23295	6217-54-5	445580	393183	C06429	HMDB02183
docosapentaenoate (n3 DPA; 22:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	32504	LC/MS Neg	100001181	5571	329.2486	2234-74-4	6441454		C16513	HMDB06528
docosapentaenoate (n6 DPA; 22:5n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	37478	LC/MS Neg	100001580	5624.5	329.2486	25182-74-5	6441454	4945614	C16513	HMDB01976
eicosapentaenoate (EPA; 20:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	18467	LC/MS Neg	2050	5450	301.2173	10-2005-9;10417-94-4	446284	393682	C06428	HMDB01999
heneicosapentaenoate (21:5n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57658	LC/MS Neg	100015797	5514	315.23295	24257-10-1	11998573	10171040
hexadecadienoate (16:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	57652	LC/MS Neg	100009394	5398	251.20165	28290-73-5	13932172	13628094		HMDB00477
linoleate (18:2n6)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	1105	LC/MS Neg	180	5535	279.23295	60-33-3	5280450	4444105	C01595	HMDB00673
linolenate [alpha or gamma; (18:3n3 or 6)]	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	34035	LC/MS Neg	100001337	5450	277.2173		5280934	4444437	C06426	HMDB03073
stearidonate (18:4n3)	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	33969	LC/MS Neg	100001229	5395	275.20165	111174-40-4	5312508	4471933	C16300	HMDB06547
tetradecadienoate (14:2)*	Lipid	Long Chain Polyunsaturated Fatty Acid (n3 and n6)	62850	LC/MS Neg	100020343	5292	223.17035	39039-37-7	5312409	4471834		HMDB00560
arachidate (20:0)	Lipid	Long Chain Saturated Fatty Acid	1118	LC/MS Neg	893	6240	311.29555	506-30-9	10467	10035	C06425	HMDB02212
margarate (17:0)	Lipid	Long Chain Saturated Fatty Acid	1121	LC/MS Neg	891	5731	269.2486	506-12-7	10465	10033		HMDB02259
myristate (14:0)	Lipid	Long Chain Saturated Fatty Acid	1365	LC/MS Neg	519	5440	227.20165	544-63-8	11005	10539	C06424	HMDB00806
nonadecanoate (19:0)	Lipid	Long Chain Saturated Fatty Acid	1356	LC/MS Neg	892	6068	297.2799	646-30-0	12591	12071	C16535	HMDB00772
palmitate (16:0)	Lipid	Long Chain Saturated Fatty Acid	1336	LC/MS Neg	424	5618	255.23295	57-10-3	985	960	C00249	HMDB00220
stearate (18:0)	Lipid	Long Chain Saturated Fatty Acid	1358	LC/MS Neg	439	5872	283.26425	57-11-4	5281	5091	C01530	HMDB00827
1-linoleoyl-GPG (18:2)*	Lipid	Lysophospholipid	54885	LC/MS Neg	100009227	5516	507.27284
1-palmitoyl-GPG (16:0)*	Lipid	Lysophospholipid	45970	LC/MS Neg	100005717	5570	483.27284		3300276	2548639
1-stearoyl-GPG (18:0)	Lipid	Lysophospholipid	34437	LC/MS Neg	100001462	5816	511.30414			21403138
10-undecenoate (11:1n1)	Lipid	Medium Chain Fatty Acid	32497	LC/MS Neg	100001197	5085.8	183.13905	1333-28-4	14891	10771160	C13910	HMDB33724
5-dodecenoate (12:1n7)	Lipid	Medium Chain Fatty Acid	33968	LC/MS Neg	100001232	5224	197.1547	2430-94-6	5312378	4471803		HMDB00529
caprate (10:0)	Lipid	Medium Chain Fatty Acid	1642	LC/MS Neg	888	5090.7	171.13905	334-48-5	2969	2863	C01571	HMDB00511
caproate (6:0)	Lipid	Medium Chain Fatty Acid	32489	LC/MS Neg	926	2713.7	115.07645	142-62-1	8892	8552	C01585	HMDB00535
caprylate (8:0)	Lipid	Medium Chain Fatty Acid	32492	LC/MS Neg	932	4362	143.10775	124-07-2	379	370	C06423	HMDB00482
cis-4-decenoate (10:1n6)*	Lipid	Medium Chain Fatty Acid	62873	LC/MS Neg	100002796	4890	169.1234	505-90-8	5312351	4471776
heptanoate (7:0)	Lipid	Medium Chain Fatty Acid	1644	LC/MS Neg	925	3670	129.0921	111-14-8	8094	7803	C17714	HMDB00666
21-hydroxypregnenolone disulfate	Lipid	Pregnenolone Steroids	46115	LC/MS Neg	100001999	3935	245.06711	1164-98-3	134595	118625
pregnenediol disulfate (C21H34O8S2)*	Lipid	Pregnenolone Steroids	32562	LC/MS Neg	100001993	3868	238.07747
pregnenediol sulfate (C21H34O5S)*	Lipid	Pregnenolone Steroids	32619	LC/MS Neg	100002067	5000	397.20541	1247-64-9		13465233
pregnenetriol disulfate*	Lipid	Pregnenolone Steroids	62921	LC/MS Neg	100021104	3504	246.07493
pregnenetriol sulfate*	Lipid	Pregnenolone Steroids	62922	LC/MS Neg	100021103	4749	413.20033
pregnenolone sulfate	Lipid	Pregnenolone Steroids	38170	LC/MS Neg	100002129	5100	395.18976	1247-64-9	105074	94802		HMDB00774
cholate	Lipid	Primary Bile Acid Metabolism	22842	LC/MS Neg	136	5165	407.28029	81-25-4	221493		C00695	HMDB00619
glyco-alpha-muricholate**	Lipid	Primary Bile Acid Metabolism	62065	LC/MS Neg	100020213	4734	464.30176
glyco-beta-muricholate**	Lipid	Primary Bile Acid Metabolism	62066	LC/MS Neg	100020214	4762	464.30176
glycochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	32346	LC/MS Neg	1628	5236.1	448.30684	16564-43-5	12544		C05466	HMDB00637
glycochenodeoxycholate 3-sulfate	Lipid	Primary Bile Acid Metabolism	52974	LC/MS Neg	100006641	4820	263.62819
glycochenodeoxycholate glucuronide (1)	Lipid	Primary Bile Acid Metabolism	52983	LC/MS Neg	100009264	4806	311.66583
glycocholate	Lipid	Primary Bile Acid Metabolism	18476	LC/MS Neg	342	5163	464.30176	475-31-0;863-57-0	10140	9734	C01921	HMDB00138
tauro-beta-muricholate	Lipid	Primary Bile Acid Metabolism	33983	LC/MS Neg	100001250	4774	514.28439	25696-60-0	168408	147312		HMDB00932
taurochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	18494	LC/MS Neg	1629	5250	498.28948	6009-98-9	387316	343282	C05465	HMDB00951
taurocholate	Lipid	Primary Bile Acid Metabolism	18497	LC/MS Neg	1648	5150	514.28439	145-42-6	6675		C05122	HMDB00036
5alpha-pregnan-3beta,20alpha-diol disulfate	Lipid	Progestin Steroids	37198	LC/MS Neg	100001988	3962	239.0853
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	Lipid	Progestin Steroids	37200	LC/MS Neg	100002014	5060	399.22106
3b-hydroxy-5-cholenoic acid	Lipid	Secondary Bile Acid Metabolism	43507	LC/MS Neg	100004182	5205	373.27482	5255-17-4	92997	83950		HMDB00308
glycocholenate sulfate*	Lipid	Secondary Bile Acid Metabolism	32599	LC/MS Neg	100001989	4750	254.62291
glycodeoxycholate 3-sulfate	Lipid	Secondary Bile Acid Metabolism	52975	LC/MS Neg	100006642	4875	263.62819
glycohyocholate	Lipid	Secondary Bile Acid Metabolism	42574	LC/MS Neg	100004083	5020	464.30176
glycolithocholate	Lipid	Secondary Bile Acid Metabolism	31912	LC/MS Neg	100001064	5357.1	432.31193	474-74-8	115245	103116	C15557	HMDB00698
glycolithocholate sulfate*	Lipid	Secondary Bile Acid Metabolism	32620	LC/MS Neg	100001657	5011	255.63073	15324-64-8	72222	65188	C11301	HMDB02639
glycoursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	39379	LC/MS Neg	100002911	5033	448.30684	64480-66-6	12310288	19973534		HMDB00708
isoursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	57577	LC/MS Neg	100002488	4809	391.28538	78919-26-3	127601	113205	C17662	HMDB00686
lithocholate sulfate (1)	Lipid	Secondary Bile Acid Metabolism	62526	LC/MS Neg	100020823	4811	227.12
taurochenodeoxycholic acid 3-sulfate	Lipid	Secondary Bile Acid Metabolism	62890	LC/MS Neg	100021093	4809	288.61951			24850141		HMDB02486
taurocholenate sulfate*	Lipid	Secondary Bile Acid Metabolism	32807	LC/MS Neg	100001990	4750	279.61422
taurodeoxycholic acid 3-sulfate	Lipid	Secondary Bile Acid Metabolism	62889	LC/MS Neg	100006644	4850	288.61951
taurohyocholate*	Lipid	Secondary Bile Acid Metabolism	42603	LC/MS Neg	100004084	5000	514.28439
taurolithocholate 3-sulfate	Lipid	Secondary Bile Acid Metabolism	36850	LC/MS Neg	100001658	5027	280.62205	64936-83-0	440071	389078	C03642	HMDB02580
tauroursodeoxycholate	Lipid	Secondary Bile Acid Metabolism	39378	LC/MS Neg	100002912	5025	498.28948	14605-22-2	9848818	24539842		HMDB00874
valerate (5:0)	Lipid	Short Chain Fatty Acid	33443	LC/MS Neg	1136	1718	101.0608	109-52-4	7991	7701	C00803	HMDB00892
3beta,7alpha-dihydroxy-5-cholestenoate	Lipid	Sterol	36803	LC/MS Neg	100001611	5275	431.31668	115538-84-6	3081084	2338764	C17335
3beta-hydroxy-5-cholestenoate	Lipid	Sterol	54805	LC/MS Neg	100006370	5398	415.32177	6561-58-6	165511		C17333
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	Lipid	Sterol	36776	LC/MS Neg	100001609	5288.1	429.30103	115538-85-7	3081085	2338765	C17337	HMDB12458
hypoxanthine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	3127	LC/MS Neg	171	1291.2	135.03123	68-94-0	790	768	C00262	HMDB00157
inosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1123	LC/MS Neg	361	1602.1	267.07349	58-63-9	6021	21241953	C00294	HMDB00195
urate	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	1604	LC/MS Neg	1134	757.1	167.02106	69-93-2;120K5305	1175		C00366	HMDB00289
xanthosine	Nucleotide	Purine Metabolism, (Hypo)Xanthine/Inosine containing	15136	LC/MS Neg	100000299	1075	283.0684	146-80-5	64959	58484	C01762	HMDB00299
N6-carbamoylthreonyladenosine	Nucleotide	Purine Metabolism, Adenine containing	35157	LC/MS Neg	100001415	2164	411.12698	24719-82-2	161466	141829		HMDB41623
N6-succinyladenosine	Nucleotide	Purine Metabolism, Adenine containing	48130	LC/MS Neg	100001664	940	382.10043	4542-23-8	165243			HMDB00912
N4-acetylcytidine	Nucleotide	Pyrimidine Metabolism, Cytidine containing	35130	LC/MS Neg	100001413	2040	284.08881	3768-18-1	107461	96702		HMDB05923
5,6-dihydrothymine	Nucleotide	Pyrimidine Metabolism, Thymine containing	1418	LC/MS Neg	158	1637.8	127.0513	696-04-8	93556	84456	C00906	HMDB00079
2'-deoxyuridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	1412	LC/MS Neg	536	1586	111.01997	951-78-0	13712	13118	C00526	HMDB00012
2'-O-methyluridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	57655	LC/MS Neg	100010896	1831	257.07791	2140-76-3	102212	92343
3-(3-amino-3-carboxypropyl)uridine*	Nucleotide	Pyrimidine Metabolism, Uracil containing	62924	LC/MS Neg	100001426	1369	344.10993	52745-94-5	171198	149669
5,6-dihydrouracil	Nucleotide	Pyrimidine Metabolism, Uracil containing	1559	LC/MS Neg	1125	1120	113.03565	504-07-4	649	629	C00429	HMDB00076
5,6-dihydrouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	61833	LC/MS Neg	100001425	1119	245.07791	5/4/5627	94312	85115
5-methyluridine (ribothymidine)	Nucleotide	Pyrimidine Metabolism, Uracil containing	35136	LC/MS Neg	100001446	1778.1	257.07791	1463-10-1	445408	393058		HMDB00884
N-acetyl-beta-alanine	Nucleotide	Pyrimidine Metabolism, Uracil containing	37432	LC/MS Neg	100002102	773	130.05096	3025-95-4	76406	68881	C01073
pseudouridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	33442	LC/MS Neg	821	1100	243.06226	1445-07-4	15047	21403010	C02067	HMDB00767
uridine	Nucleotide	Pyrimidine Metabolism, Uracil containing	606	LC/MS Neg	535	1457.6	243.06226	58-96-8	6029	5807	C00299	HMDB00296
glucuronide of C12H22O4 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	61874	LC/MS Neg	100019984	2590	405.17662
glucuronide of C14H26O4 (1)*	Partially Characterized Molecules	Partially Characterized Molecules	61876	LC/MS Neg	100019986	3200	433.20793
4-hydroxyphenylacetylglutamine	Peptide	Acetylated Peptides	55017	LC/MS Neg	100010850	1650	279.09864
phenylacetylglutamate	Peptide	Acetylated Peptides	52925	LC/MS Neg	100009045	1570	264.08774		11579826	9754592		HMDB59772
phenylacetylglutamine	Peptide	Acetylated Peptides	35126	LC/MS Neg	100001417	2330	263.10373	28047-15-6	92258	270643	C04148	HMDB06344
isoleucylglycine	Peptide	Dipeptide	40008	LC/MS Neg	100003169	1992	187.10881	868-28-0	342532	303621		HMDB28907
threonylphenylalanine	Peptide	Dipeptide	31530	LC/MS Neg	100001125	2322	265.11938	16875-27-7	4099799	3313819		HMDB29068
valylglycine	Peptide	Dipeptide	40475	LC/MS Neg	100003641	1506	173.09316	686-43-1	136487	120256		HMDB29127
Fibrinopeptide A (2-15)**	Peptide	Fibrinogen Cleavage Peptide	62809	LC/MS Neg	100020902	2120	653.26621
Fibrinopeptide A (3-15)**	Peptide	Fibrinogen Cleavage Peptide	62808	LC/MS Neg	100020901	2419	595.75274
Fibrinopeptide A (3-16)**	Peptide	Fibrinogen Cleavage Peptide	62811	LC/MS Neg	100020903	2786	673.8033
Fibrinopeptide A (4-15)**	Peptide	Fibrinogen Cleavage Peptide	62810	LC/MS Neg	100020904	2570	552.23673
Fibrinopeptide A (5-16)*	Peptide	Fibrinogen Cleavage Peptide	62148	LC/MS Neg	100020274	2850	601.77795
Fibrinopeptide A (7-16)*	Peptide	Fibrinogen Cleavage Peptide	62149	LC/MS Neg	100020275	3258	508.7453
Fibrinopeptide A (8-16)**	Peptide	Fibrinogen Cleavage Peptide	62812	LC/MS Neg	100020905	3944	903.46939
Fibrinopeptide A, des-ala(1)*	Peptide	Fibrinogen Cleavage Peptide	31548	LC/MS Neg	100001323	2535	731.31677			21403111
Fibrinopeptide B (1-11)**	Peptide	Fibrinogen Cleavage Peptide	62815	LC/MS Neg	100020912	2389	411.48897
Fibrinopeptide B (1-12)**	Peptide	Fibrinogen Cleavage Peptide	62814	LC/MS Neg	100020910	2366	661.25311
Fibrinopeptide B (1-13)**	Peptide	Fibrinogen Cleavage Peptide	62813	LC/MS Neg	100020908	2482	696.77166
gamma-glutamyltyrosine	Peptide	Gamma-glutamyl Amino Acid	2734	LC/MS Neg	1102	1240	309.10921	7432-23-7	94340	85142		HMDB11741
gamma-glutamylvaline	Peptide	Gamma-glutamyl Amino Acid	43829	LC/MS Neg	100001126	1072	245.11429	2746-34-1	7015683			HMDB11172
glu-gly-asn-val**	Peptide	Polypeptide	62917	LC/MS Neg	100021107	1000	416.17868			16618843
2-ethylphenylsulfate	Xenobiotics	Benzoate Metabolism	36847	LC/MS Neg	100001809	3416	201.0227
3-(3-hydroxyphenyl)propionate	Xenobiotics	Benzoate Metabolism	35635	LC/MS Neg	100001624	1980	165.05571	621-54-5	91	89	C11457	HMDB00375
3-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	39600	LC/MS Neg	100002122	1687	194.04588	1637-75-8	450268	396603		HMDB06116
3-methoxycatechol sulfate (1)	Xenobiotics	Benzoate Metabolism	48763	LC/MS Neg	100006375	2163	218.99688
3-methyl catechol sulfate (1)	Xenobiotics	Benzoate Metabolism	46165	LC/MS Neg	100004112	2790	203.00196
3-phenylpropionate (hydrocinnamate)	Xenobiotics	Benzoate Metabolism	15749	LC/MS Neg	100000010	2860	149.0608	501-52-0	107	10181339	C05629	HMDB00764
4-acetylphenol sulfate	Xenobiotics	Benzoate Metabolism	44620	LC/MS Neg	100000711	2375	215.00196		4684006	3872009
4-ethylphenylsulfate	Xenobiotics	Benzoate Metabolism	36099	LC/MS Neg	100001756	3580	201.0227	123-07-9	20822574		C13637	HMDB62551
4-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	35527	LC/MS Neg	100001423	1475	194.04588	2482-25-9	151012	133104		HMDB13678
4-methylcatechol sulfate	Xenobiotics	Benzoate Metabolism	46146	LC/MS Neg	100004111	2665	203.00196
4-methylguaiacol sulfate	Xenobiotics	Benzoate Metabolism	48418	LC/MS Neg	100006105	2978	217.01761	756760-43-7
4-vinylphenol sulfate	Xenobiotics	Benzoate Metabolism	36098	LC/MS Neg	100001755	3320	199.00705	2628-17-3	6426766	4932200	C05627	HMDB62775
benzoate	Xenobiotics	Benzoate Metabolism	15778	LC/MS Neg	100000008	1750	121.0295	65-85-0	243	238	C00180	HMDB01870
catechol sulfate	Xenobiotics	Benzoate Metabolism	35320	LC/MS Neg	100001605	1906	188.98631	4918-96-1	3083879	2341024		HMDB59724
guaiacol sulfate	Xenobiotics	Benzoate Metabolism	46111	LC/MS Neg	100004208	2344	203.00196		22473	21078		HMDB60013
hippurate	Xenobiotics	Benzoate Metabolism	15753	LC/MS Neg	100000014	2106.9	178.05096	495-69-2	464	451	C01586	HMDB00714
methyl-4-hydroxybenzoate sulfate	Xenobiotics	Benzoate Metabolism	48429	LC/MS Neg	100006116	2873	230.99688
o-cresol sulfate	Xenobiotics	Benzoate Metabolism	36845	LC/MS Neg	100001806	2796	187.00705		11615528	9790277
p-cresol sulfate	Xenobiotics	Benzoate Metabolism	36103	LC/MS Neg	100001315	2890	187.00705	3233-57-7	4615423	3806480		HMDB11635
propyl 4-hydroxybenzoate sulfate	Xenobiotics	Benzoate Metabolism	48460	LC/MS Neg	100006264	3971	259.02818	162338-10-5		48063224
1,2,3-benzenetriol sulfate (2)	Xenobiotics	Chemical	48762	LC/MS Neg	100006374	1709	204.98123
2-aminophenol sulfate	Xenobiotics	Chemical	43266	LC/MS Neg	100004322	1677	188.0023		181670	158022		HMDB61116
2-methoxyresorcinol sulfate	Xenobiotics	Chemical	48445	LC/MS Neg	100006184	1863	218.99688	1446269-78-8
2-naphthol sulfate	Xenobiotics	Chemical	62520	LC/MS Neg	100020515	3658	223.00705		74428	67020
3-acetylphenol sulfate	Xenobiotics	Chemical	48693	LC/MS Neg	100004326	2477	215.00196			16230535
3-hydroxypyridine sulfate	Xenobiotics	Chemical	48448	LC/MS Neg	100006098	1595.5	173.98665	1955-23-3		16232314
6-hydroxyindole sulfate	Xenobiotics	Chemical	48698	LC/MS Neg	100006260	2498	212.0023		122198196
methylnaphthyl sulfate (1)*	Xenobiotics	Chemical	61872	LC/MS Neg	100020005	4117	237.0227
methylnaphthyl sulfate (2)*	Xenobiotics	Chemical	61873	LC/MS Neg	100020006	4163	237.0227
O-sulfo-L-tyrosine	Xenobiotics	Chemical	45413	LC/MS Neg	100005384	990	260.02343		514186	448617
perfluorooctanoate (PFOA)	Xenobiotics	Chemical	62071	LC/MS Neg	100020208	5130	412.96642		9554	9180		HMDB59587
sulfate*	Xenobiotics	Chemical	46960	LC/MS Neg	100002528	616	96.9601	14808-79-8	1118	1086	C00059	HMDB01448
2-hydroxyacetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	33173	LC/MS Neg	100001791	1674	246.00778		86290013	34448632
2-methoxyacetaminophen glucuronide*	Xenobiotics	Drug - Analgesics, Anesthetics	33161	LC/MS Neg	100001795	1633	356.0987		14367271	52083351
2-methoxyacetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	47031	LC/MS Neg	100001793	1949	260.02343		86290014	34448633
3-(methylthio)acetaminophen sulfate*	Xenobiotics	Drug - Analgesics, Anesthetics	62567	LC/MS Neg	100020827	2265	276.00059
3-(N-acetyl-L-cystein-S-yl) acetaminophen	Xenobiotics	Drug - Analgesics, Anesthetics	45721	LC/MS Neg	2048	2094	311.07072	52372-86-8	83967	75765
4-acetamidophenol	Xenobiotics	Drug - Analgesics, Anesthetics	12032	LC/MS Neg	1383	2173.7	150.05605	103-90-2	1983	1906	C06804	HMDB01859
4-acetamidophenylglucuronide	Xenobiotics	Drug - Analgesics, Anesthetics	15736	LC/MS Neg	100000043	1400	326.08814	120595-80-4	83944	3239926		HMDB10316
4-acetaminophen sulfate	Xenobiotics	Drug - Analgesics, Anesthetics	37475	LC/MS Neg	2049	1792	230.01287	10066-90-7;32113-41-0	83939	75741	C06804	HMDB59911
salicyluric glucuronide*	Xenobiotics	Drug - Analgesics, Anesthetics	33384	LC/MS Neg	100001332	1463	370.07797			21403117
metronidazole	Xenobiotics	Drug - Antibiotic	57642	LC/MS Neg	100015878	2339	170.05711	73334-05-1	4173	4029	D00409	HMDB15052
N4-acetyl-5-hydroxysulfamethoxazole*	Xenobiotics	Drug - Antibiotic	62107	LC/MS Neg	100020244	1745	310.05031
N4-acetylsulfamethoxazole*	Xenobiotics	Drug - Antibiotic	62106	LC/MS Neg	100020243	2489	294.0554		65280	58771	C13061,D01601	HMDB13854
4-hydroxycoumarin	Xenobiotics	Drug - Cardiovascular	37445	LC/MS Neg	100002049	2470	161.02441	1076-38-6	54682930	10254753	C20414
1-hydroxy-2-naphthalenecarboxylate	Xenobiotics	Drug - Other	38140	LC/MS Neg	100002394	3930	187.04006	86-48-6	6844	6583	C03203
2,6-dihydroxybenzoic acid	Xenobiotics	Drug - Topical Agents	63042	LC/MS Neg	100020837	2575	153.01933	303-07-1	9338	8974		HMDB13676
hydroquinone sulfate	Xenobiotics	Drug - Topical Agents	35322	LC/MS Neg	100001604	1395	188.98631	123-31-9	161220	141624	C00530	HMDB02434
(2,4 or 2,5)-dimethylphenol sulfate	Xenobiotics	Food Component/Plant	62533	LC/MS Neg	100020519	3474	201.0227
4-allylphenol sulfate	Xenobiotics	Food Component/Plant	37181	LC/MS Neg	100001868	3805	213.0227
4-vinylguaiacol sulfate	Xenobiotics	Food Component/Plant	48442	LC/MS Neg	100006126	3354	229.01761
acesulfame	Xenobiotics	Food Component/Plant	48569	LC/MS Neg	100006203	1581	161.98665	55589-62-3	36573	33607		HMDB33585
cinnamoylglycine	Xenobiotics	Food Component/Plant	38637	LC/MS Neg	100002253	3127	204.06661	16534-24-0	709625	618829		HMDB11621
eugenol sulfate	Xenobiotics	Food Component/Plant	48715	LC/MS Neg	100006171	3782	243.03326	95480-60-7	180632	157181
isoeugenol sulfate	Xenobiotics	Food Component/Plant	48997	LC/MS Neg	100006089	3893	243.03326			157181
methyl glucopyranoside (alpha + beta)	Xenobiotics	Food Component/Plant	46144	LC/MS Neg	100005864	1070	193.0718
N-(2-furoyl)glycine	Xenobiotics	Food Component/Plant	31536	LC/MS Neg	100001086	1525	168.03023	5657-19-2;5657-19-2	21863	20549		HMDB00439
pyrraline	Xenobiotics	Food Component/Plant	48428	LC/MS Neg	100001767	2304	253.11938	74509-14-1	122228	19980286		HMDB33143
saccharin	Xenobiotics	Food Component/Plant	21151	LC/MS Neg	100000870	2000	181.99173	81-07-2	5143	4959	D01085	HMDB29723
syringol sulfate	Xenobiotics	Food Component/Plant	48454	LC/MS Neg	100006256	2395	233.01253	52904-67-3
tartronate (hydroxymalonate)	Xenobiotics	Food Component/Plant	20693	LC/MS Neg	100000840	610	118.99859	80-69-3	45	44	C02287	HMDB35227
thymol sulfate	Xenobiotics	Food Component/Plant	36095	LC/MS Neg	100001757	4410	229.054	89-83-8		10709958	C09908	HMDB01878
2-hydroxyfluorene sulfate	Xenobiotics	Tobacco Metabolite	62528	LC/MS Neg	100020585	4372	261.0227
1,7-dimethylurate	Xenobiotics	Xanthine Metabolism	34400	LC/MS Neg	100001399	1578.6	195.05236	33868-03-0	91611	82720	C16356	HMDB11103
METABOLITES_END
#END