#METABOLOMICS WORKBENCH araskind_20200226_054131 DATATRACK_ID:1931 STUDY_ID:ST001325 ANALYSIS_ID:AN002206 PROJECT_ID:PR000902 VERSION 1 CREATED_ON March 10, 2020, 1:46 pm #PROJECT PR:PROJECT_TITLE Obesity and Poor Diet as Susceptibility Factors for Secondhand Smoke in PR:PROJECT_TITLE Childhood Asthma PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Investigating Overweight/Obesity and Poor Diet as Susceptibility Factors for PR:PROJECT_SUMMARY Secondhand Smoke in Childhood Asthma PR:INSTITUTE Johns Hopkins University School of Medicine PR:DEPARTMENT Pulmonary & Critical Care Medicine PR:LABORATORY McCormack, Meredith Lab PR:LAST_NAME McCormack PR:FIRST_NAME Meredith PR:ADDRESS 733 North Broadway, Suite G49 Baltimore, MD 21205-2196 PR:EMAIL mmccor16@jhmi.edu PR:PHONE 410-955-0036 #STUDY ST:STUDY_TITLE Obesity and Poor Diet as Susceptibility Factors for Secondhand Smoke in ST:STUDY_TITLE Childhood Asthma ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Aim 1: To investigate the effect of SHS exposure on asthma morbidity, systemic ST:STUDY_SUMMARY inflammation and oxidative stress among inner-city children with asthma. ST:STUDY_SUMMARY Hypotheses 1.Increasing SHS exposure will be associated with increases in asthma ST:STUDY_SUMMARY morbidity, systemic inflammation and oxidative stress. Aim 2: To determine if ST:STUDY_SUMMARY being overweight/obese modifies the effect of SHS exposure on respiratory ST:STUDY_SUMMARY symptoms, inflammation and oxidative stress responses among inner-city children ST:STUDY_SUMMARY with asthma.Hypothesis 2. SHS exposure will be associated with a worsened asthma ST:STUDY_SUMMARY and increases in systemic inflammation and oxidative stress among ST:STUDY_SUMMARY overweight/obese children compared to normal weight children. Aim 3: To ST:STUDY_SUMMARY determine if diet quality modifies the effect of SHS exposure on respiratory ST:STUDY_SUMMARY symptoms, inflammation and oxidative stress responses among inner-city children ST:STUDY_SUMMARY with asthma. Hypothesis 3. SHS smoke exposure will associated with worsened ST:STUDY_SUMMARY respiratory symptoms and increases in inflammation and oxidative stress among ST:STUDY_SUMMARY children with poor quality diet compared those with better quality diet ST:STUDY_SUMMARY inner-city children with asthma. (Diet will be assessed by dietary inflammatory ST:STUDY_SUMMARY index, healthy eating index, and additional serum markers proposed in this ST:STUDY_SUMMARY application). ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS Ann Arbor, MI ST:EMAIL mkachman@med.umich.edu ST:PHONE 734-232-0842 ST:TOTAL_SUBJECTS 185 ST:STUDY_COMMENTS Low-income minority children in urban areas often inhabit an environment that ST:STUDY_COMMENTS has excessive pollution and these children are at risk for obesity and poor ST:STUDY_COMMENTS diet. Secondhand smoke (SHS) is a common exposure in homes of children in ST:STUDY_COMMENTS Baltimore City and approximately 50-80% of households have a smoker. Secondhand ST:STUDY_COMMENTS smoke has been associated with worse asthma outcomes. We hypothesize that ST:STUDY_COMMENTS secondhand smoke exposure will be associated with increases in asthma morbidity ST:STUDY_COMMENTS and increases in systemic markers of inflammation and oxidative stress and that ST:STUDY_COMMENTS these responses will be exaggerated among overweight and obese children compared ST:STUDY_COMMENTS with normal weight and among those with poor diets compared to better diets ST:STUDY_COMMENTS among children with asthma. #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS SU0037394 S00041738 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QAS3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041738-P.d 20190909-EX00973-A003-IN0029-S00041738-N.d SUBJECT_SAMPLE_FACTORS SU0037395 S00041739 Sample type:Sample | Gender:female Batch=1; Age=6; CHEAR Sample name=C-1QAX2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041739-P.d 20190909-EX00973-A003-IN0029-S00041739-N.d SUBJECT_SAMPLE_FACTORS SU0037396 S00041740 Sample type:Sample | Gender:female Batch=1; Age=6; CHEAR Sample name=C-1QB25-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041740-P.d 20190909-EX00973-A003-IN0029-S00041740-N.d SUBJECT_SAMPLE_FACTORS SU0037397 S00041741 Sample type:Sample | Gender:male Batch=1; Age=6; CHEAR Sample name=C-1QB66-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041741-P.d 20190909-EX00973-A003-IN0029-S00041741-N.d SUBJECT_SAMPLE_FACTORS SU0037398 S00041742 Sample type:Sample | Gender:female Batch=1; Age=7; CHEAR Sample name=C-1QBA2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041742-P.d 20190909-EX00973-A003-IN0029-S00041742-N.d SUBJECT_SAMPLE_FACTORS SU0037399 S00041743 Sample type:Sample | Gender:female Batch=1; Age=9; CHEAR Sample name=C-1QBE3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041743-P.d 20190909-EX00973-A003-IN0029-S00041743-N.d SUBJECT_SAMPLE_FACTORS SU0037400 S00041744 Sample type:Sample | Gender:female Batch=1; Age=5; CHEAR Sample name=C-1QES9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041744-P.d 20190909-EX00973-A003-IN0029-S00041744-N.d SUBJECT_SAMPLE_FACTORS SU0037401 S00041745 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QBM6-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041745-P.d 20190909-EX00973-A003-IN0029-S00041745-N.d SUBJECT_SAMPLE_FACTORS SU0037402 S00041746 Sample type:Sample | Gender:female Batch=1; Age=12; CHEAR Sample name=C-1QBN3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041746-P.d 20190909-EX00973-A003-IN0029-S00041746-N.d SUBJECT_SAMPLE_FACTORS SU0037403 S00041747 Sample type:Sample | Gender:male Batch=1; Age=7; CHEAR Sample name=C-1QBP9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041747-P.d 20190909-EX00973-A003-IN0029-S00041747-N.d SUBJECT_SAMPLE_FACTORS SU0037404 S00041748 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QBX1-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041748-P.d 20190909-EX00973-A003-IN0029-S00041748-N.d SUBJECT_SAMPLE_FACTORS SU0037405 S00041749 Sample type:Sample | Gender:female Batch=1; Age=8; CHEAR Sample name=C-1QC16-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041749-P.d 20190909-EX00973-A003-IN0029-S00041749-N.d SUBJECT_SAMPLE_FACTORS SU0037406 S00041750 Sample type:Sample | Gender:male Batch=1; Age=12; CHEAR Sample name=C-1QCC7-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041750-P.d 20190909-EX00973-A003-IN0029-S00041750-N.d SUBJECT_SAMPLE_FACTORS SU0037407 S00041751 Sample type:Sample | Gender:male Batch=1; Age=6; CHEAR Sample name=C-1QCL7-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041751-P.d 20190909-EX00973-A003-IN0029-S00041751-N.d SUBJECT_SAMPLE_FACTORS SU0037408 S00041752 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QCP8-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041752-P.d 20190909-EX00973-A003-IN0029-S00041752-N.d SUBJECT_SAMPLE_FACTORS SU0037409 S00041753 Sample type:Sample | Gender:female Batch=1; Age=11; CHEAR Sample name=C-1QCT9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041753-P.d 20190909-EX00973-A003-IN0029-S00041753-N.d SUBJECT_SAMPLE_FACTORS SU0037410 S00041754 Sample type:Sample | Gender:female Batch=1; Age=8; CHEAR Sample name=C-1QD64-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041754-P.d 20190909-EX00973-A003-IN0029-S00041754-N.d SUBJECT_SAMPLE_FACTORS SU0037411 S00041755 Sample type:Sample | Gender:male Batch=1; Age=6; CHEAR Sample name=C-1QD72-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041755-P.d 20190909-EX00973-A003-IN0029-S00041755-N.d SUBJECT_SAMPLE_FACTORS SU0037412 S00041756 Sample type:Sample | Gender:female Batch=1; Age=5; CHEAR Sample name=C-1QDC6-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041756-P.d 20190909-EX00973-A003-IN0029-S00041756-N.d SUBJECT_SAMPLE_FACTORS SU0037413 S00041757 Sample type:Sample | Gender:female Batch=1; Age=8; CHEAR Sample name=C-1QDR3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041757-P.d 20190909-EX00973-A003-IN0029-S00041757-N.d SUBJECT_SAMPLE_FACTORS SU0037414 S00041758 Sample type:Sample | Gender:male Batch=1; Age=12; CHEAR Sample name=C-1QDW2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041758-P.d 20190909-EX00973-A003-IN0029-S00041758-N.d SUBJECT_SAMPLE_FACTORS SU0037415 S00041759 Sample type:Sample | Gender:female Batch=1; Age=7; CHEAR Sample name=C-1QE63-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041759-P.d 20190909-EX00973-A003-IN0029-S00041759-N.d SUBJECT_SAMPLE_FACTORS SU0037416 S00041760 Sample type:Sample | Gender:female Batch=1; Age=9; CHEAR Sample name=C-1QEC5-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041760-P.d 20190909-EX00973-A003-IN0029-S00041760-N.d SUBJECT_SAMPLE_FACTORS SU0037417 S00041761 Sample type:Sample | Gender:female Batch=1; Age=11; CHEAR Sample name=C-1QEL5-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041761-P.d 20190909-EX00973-A003-IN0029-S00041761-N.d SUBJECT_SAMPLE_FACTORS SU0037418 S00041762 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QEW1-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041762-P.d 20190909-EX00973-A003-IN0029-S00041762-N.d SUBJECT_SAMPLE_FACTORS SU0037419 S00041763 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QF13-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041763-P.d 20190909-EX00973-A003-IN0029-S00041763-N.d SUBJECT_SAMPLE_FACTORS SU0037420 S00041764 Sample type:Sample | Gender:male Batch=1; Age=12; CHEAR Sample name=C-1QFF7-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041764-P.d 20190909-EX00973-A003-IN0029-S00041764-N.d SUBJECT_SAMPLE_FACTORS SU0037421 S00041765 Sample type:Sample | Gender:male Batch=1; Age=12; CHEAR Sample name=C-1QFK6-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041765-P.d 20190909-EX00973-A003-IN0029-S00041765-N.d SUBJECT_SAMPLE_FACTORS SU0037422 S00041766 Sample type:Sample | Gender:male Batch=1; Age=12; CHEAR Sample name=C-1QFV2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041766-P.d 20190909-EX00973-A003-IN0029-S00041766-N.d SUBJECT_SAMPLE_FACTORS SU0037423 S00041767 Sample type:Sample | Gender:male Batch=1; Age=12; CHEAR Sample name=C-1QG53-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041767-P.d 20190909-EX00973-A003-IN0029-S00041767-N.d SUBJECT_SAMPLE_FACTORS SU0037424 S00041768 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QGD0-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041768-P.d 20190909-EX00973-A003-IN0029-S00041768-N.d SUBJECT_SAMPLE_FACTORS SU0037425 S00041769 Sample type:Sample | Gender:male Batch=1; Age=5; CHEAR Sample name=C-1QGN8-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041769-P.d 20190909-EX00973-A003-IN0029-S00041769-N.d SUBJECT_SAMPLE_FACTORS SU0037426 S00041770 Sample type:Sample | Gender:female Batch=1; Age=11; CHEAR Sample name=C-1QGV1-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041770-P.d 20190909-EX00973-A003-IN0029-S00041770-N.d SUBJECT_SAMPLE_FACTORS SU0037427 S00041771 Sample type:Sample | Gender:female Batch=1; Age=11; CHEAR Sample name=C-1QHA6-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041771-P.d 20190909-EX00973-A003-IN0029-S00041771-N.d SUBJECT_SAMPLE_FACTORS SU0037428 S00041772 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QHR9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041772-P.d 20190909-EX00973-A003-IN0029-S00041772-N.d SUBJECT_SAMPLE_FACTORS SU0037429 S00041773 Sample type:Sample | Gender:female Batch=1; Age=12; CHEAR Sample name=C-1QHX5-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041773-P.d 20190909-EX00973-A003-IN0029-S00041773-N.d SUBJECT_SAMPLE_FACTORS SU0037430 S00041774 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QJ27-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041774-P.d 20190909-EX00973-A003-IN0029-S00041774-N.d SUBJECT_SAMPLE_FACTORS SU0037431 S00041775 Sample type:Sample | Gender:female Batch=1; Age=11; CHEAR Sample name=C-1QJF3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041775-P.d 20190909-EX00973-A003-IN0029-S00041775-N.d SUBJECT_SAMPLE_FACTORS SU0037432 S00041776 Sample type:Sample | Gender:female Batch=1; Age=12; CHEAR Sample name=C-1QJN5-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041776-P.d 20190909-EX00973-A003-IN0029-S00041776-N.d SUBJECT_SAMPLE_FACTORS SU0037433 S00041777 Sample type:Sample | Gender:female Batch=1; Age=12; CHEAR Sample name=C-1QJT2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041777-P.d 20190909-EX00973-A003-IN0029-S00041777-N.d SUBJECT_SAMPLE_FACTORS SU0037434 S00041778 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QJW6-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041778-P.d 20190909-EX00973-A003-IN0029-S00041778-N.d SUBJECT_SAMPLE_FACTORS SU0037435 S00041779 Sample type:Sample | Gender:male Batch=1; Age=10; CHEAR Sample name=C-1QK34-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041779-P.d 20190909-EX00973-A003-IN0029-S00041779-N.d SUBJECT_SAMPLE_FACTORS SU0037436 S00041780 Sample type:Sample | Gender:female Batch=1; Age=12; CHEAR Sample name=C-1QK75-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041780-P.d 20190909-EX00973-A003-IN0029-S00041780-N.d SUBJECT_SAMPLE_FACTORS SU0037437 S00041781 Sample type:Sample | Gender:male Batch=1; Age=10; CHEAR Sample name=C-1QKF2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041781-P.d 20190909-EX00973-A003-IN0029-S00041781-N.d SUBJECT_SAMPLE_FACTORS SU0037438 S00041782 Sample type:Sample | Gender:male Batch=1; Age=10; CHEAR Sample name=C-1QKJ3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041782-P.d 20190909-EX00973-A003-IN0029-S00041782-N.d SUBJECT_SAMPLE_FACTORS SU0037439 S00041783 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QT68-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041783-P.d 20190909-EX00973-A003-IN0029-S00041783-N.d SUBJECT_SAMPLE_FACTORS SU0037440 S00041784 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QCB9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041784-P.d 20190909-EX00973-A003-IN0029-S00041784-N.d SUBJECT_SAMPLE_FACTORS SU0037441 S00041785 Sample type:Sample | Gender:male Batch=1; Age=10; CHEAR Sample name=C-1QLB0-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041785-P.d 20190909-EX00973-A003-IN0029-S00041785-N.d SUBJECT_SAMPLE_FACTORS SU0037442 S00041786 Sample type:Sample | Gender:female Batch=1; Age=11; CHEAR Sample name=C-1QLP9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041786-P.d 20190909-EX00973-A003-IN0029-S00041786-N.d SUBJECT_SAMPLE_FACTORS SU0037443 S00041787 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QLS2-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041787-P.d 20190909-EX00973-A003-IN0029-S00041787-N.d SUBJECT_SAMPLE_FACTORS SU0037444 S00041788 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QLY9-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041788-P.d 20190909-EX00973-A003-IN0029-S00041788-N.d SUBJECT_SAMPLE_FACTORS SU0037445 S00041789 Sample type:Sample | Gender:female Batch=1; Age=9; CHEAR Sample name=C-1QM57-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041789-P.d 20190909-EX00973-A003-IN0029-S00041789-N.d SUBJECT_SAMPLE_FACTORS SU0037446 S00041790 Sample type:Sample | Gender:male Batch=1; Age=9; CHEAR Sample name=C-1QMF0-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041790-P.d 20190909-EX00973-A003-IN0029-S00041790-N.d SUBJECT_SAMPLE_FACTORS SU0037447 S00041791 Sample type:Sample | Gender:male Batch=1; Age=5; CHEAR Sample name=C-1QML7-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041791-P.d 20190909-EX00973-A003-IN0029-S00041791-N.d SUBJECT_SAMPLE_FACTORS SU0037448 S00041792 Sample type:Sample | Gender:female Batch=2; Age=11; CHEAR Sample name=C-1QMS1-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041792-P.d 20190916-EX00973-A003-IN0029-S00041792-N.d SUBJECT_SAMPLE_FACTORS SU0037449 S00041793 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QMU7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041793-P.d 20190916-EX00973-A003-IN0029-S00041793-N.d SUBJECT_SAMPLE_FACTORS SU0037450 S00041794 Sample type:Sample | Gender:male Batch=2; Age=5; CHEAR Sample name=C-1QN07-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041794-P.d 20190916-EX00973-A003-IN0029-S00041794-N.d SUBJECT_SAMPLE_FACTORS SU0037451 S00041795 Sample type:Sample | Gender:female Batch=2; Age=9; CHEAR Sample name=C-1QN49-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041795-P.d 20190916-EX00973-A003-IN0029-S00041795-N.d SUBJECT_SAMPLE_FACTORS SU0037452 S00041796 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-1QNQ5-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041796-P.d 20190916-EX00973-A003-IN0029-S00041796-N.d SUBJECT_SAMPLE_FACTORS SU0037453 S00041797 Sample type:Sample | Gender:female Batch=2; Age=9; CHEAR Sample name=C-1QNS0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041797-P.d 20190916-EX00973-A003-IN0029-S00041797-N.d SUBJECT_SAMPLE_FACTORS SU0037454 S00041798 Sample type:Sample | Gender:male Batch=1; Age=8; CHEAR Sample name=C-1QP21-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041798-P.d 20190909-EX00973-A003-IN0029-S00041798-N.d SUBJECT_SAMPLE_FACTORS SU0037455 S00041799 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-1QP96-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041799-P.d 20190916-EX00973-A003-IN0029-S00041799-N.d SUBJECT_SAMPLE_FACTORS SU0037456 S00041800 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QPB6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041800-P.d 20190916-EX00973-A003-IN0029-S00041800-N.d SUBJECT_SAMPLE_FACTORS SU0037457 S00041801 Sample type:Sample | Gender:female Batch=2; Age=9; CHEAR Sample name=C-1QPH3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041801-P.d 20190916-EX00973-A003-IN0029-S00041801-N.d SUBJECT_SAMPLE_FACTORS SU0037458 S00041802 Sample type:Sample | Gender:female Batch=2; Age=7; CHEAR Sample name=C-1QPQ3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041802-P.d 20190916-EX00973-A003-IN0029-S00041802-N.d SUBJECT_SAMPLE_FACTORS SU0037459 S00041803 Sample type:Sample | Gender:male Batch=2; Age=7; CHEAR Sample name=C-1QPV2-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041803-P.d 20190916-EX00973-A003-IN0029-S00041803-N.d SUBJECT_SAMPLE_FACTORS SU0037460 S00041804 Sample type:Sample | Gender:female Batch=1; Age=7; CHEAR Sample name=C-1QQ12-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041804-P.d 20190909-EX00973-A003-IN0029-S00041804-N.d SUBJECT_SAMPLE_FACTORS SU0037461 S00041805 Sample type:Sample | Gender:female Batch=2; Age=6; CHEAR Sample name=C-1QQ79-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041805-P.d 20190916-EX00973-A003-IN0029-S00041805-N.d SUBJECT_SAMPLE_FACTORS SU0037462 S00041806 Sample type:Sample | Gender:female Batch=1; Age=6; CHEAR Sample name=C-1QQ87-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041806-P.d 20190909-EX00973-A003-IN0029-S00041806-N.d SUBJECT_SAMPLE_FACTORS SU0037463 S00041807 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-1QQD0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041807-P.d 20190916-EX00973-A003-IN0029-S00041807-N.d SUBJECT_SAMPLE_FACTORS SU0037464 S00041808 Sample type:Sample | Gender:female Batch=2; Age=7; CHEAR Sample name=C-1QQG4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041808-P.d 20190916-EX00973-A003-IN0029-S00041808-N.d SUBJECT_SAMPLE_FACTORS SU0037465 S00041809 Sample type:Sample | Gender:male Batch=1; Age=10; CHEAR Sample name=C-1QQM1-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041809-P.d 20190909-EX00973-A003-IN0029-S00041809-N.d SUBJECT_SAMPLE_FACTORS SU0037466 S00041810 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QQX6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041810-P.d 20190916-EX00973-A003-IN0029-S00041810-N.d SUBJECT_SAMPLE_FACTORS SU0037467 S00041811 Sample type:Sample | Gender:male Batch=2; Age=10; CHEAR Sample name=C-1QR78-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041811-P.d 20190916-EX00973-A003-IN0029-S00041811-N.d SUBJECT_SAMPLE_FACTORS SU0037468 S00041812 Sample type:Sample | Gender:male Batch=2; Age=7; CHEAR Sample name=C-1QRA6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041812-P.d 20190916-EX00973-A003-IN0029-S00041812-N.d SUBJECT_SAMPLE_FACTORS SU0037469 S00041813 Sample type:Sample | Gender:female Batch=2; Age=7; CHEAR Sample name=C-1QRF5-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041813-P.d 20190916-EX00973-A003-IN0029-S00041813-N.d SUBJECT_SAMPLE_FACTORS SU0037470 S00041814 Sample type:Sample | Gender:male Batch=2; Age=12; CHEAR Sample name=C-1QRN7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041814-P.d 20190916-EX00973-A003-IN0029-S00041814-N.d SUBJECT_SAMPLE_FACTORS SU0037471 S00041815 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QRS6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041815-P.d 20190916-EX00973-A003-IN0029-S00041815-N.d SUBJECT_SAMPLE_FACTORS SU0037472 S00041816 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QRT4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041816-P.d 20190916-EX00973-A003-IN0029-S00041816-N.d SUBJECT_SAMPLE_FACTORS SU0037473 S00041817 Sample type:Sample | Gender:female Batch=2; Age=11; CHEAR Sample name=C-1QRV0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041817-P.d 20190916-EX00973-A003-IN0029-S00041817-N.d SUBJECT_SAMPLE_FACTORS SU0037474 S00041818 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-1QS77-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041818-P.d 20190916-EX00973-A003-IN0029-S00041818-N.d SUBJECT_SAMPLE_FACTORS SU0037475 S00041819 Sample type:Sample | Gender:male Batch=1; Age=11; CHEAR Sample name=C-1QSB3-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041819-P.d 20190909-EX00973-A003-IN0029-S00041819-N.d SUBJECT_SAMPLE_FACTORS SU0037476 S00041820 Sample type:Sample | Gender:female Batch=2; Age=12; CHEAR Sample name=C-1QSE6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041820-P.d 20190916-EX00973-A003-IN0029-S00041820-N.d SUBJECT_SAMPLE_FACTORS SU0037477 S00041821 Sample type:Sample | Gender:male Batch=2; Age=12; CHEAR Sample name=C-1QSW7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041821-P.d 20190916-EX00973-A003-IN0029-S00041821-N.d SUBJECT_SAMPLE_FACTORS SU0037478 S00041822 Sample type:Sample | Gender:male Batch=2; Age=8; CHEAR Sample name=C-1QSY2-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041822-P.d 20190916-EX00973-A003-IN0029-S00041822-N.d SUBJECT_SAMPLE_FACTORS SU0037479 S00041823 Sample type:Sample | Gender:male Batch=2; Age=8; CHEAR Sample name=C-1QTJ4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041823-P.d 20190916-EX00973-A003-IN0029-S00041823-N.d SUBJECT_SAMPLE_FACTORS SU0037480 S00041824 Sample type:Sample | Gender:male Batch=2; Age=5; CHEAR Sample name=C-1QTM8-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041824-P.d 20190916-EX00973-A003-IN0029-S00041824-N.d SUBJECT_SAMPLE_FACTORS SU0037481 S00041825 Sample type:Sample | Gender:male Batch=2; Age=11; CHEAR Sample name=C-1QTQ9-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041825-P.d 20190916-EX00973-A003-IN0029-S00041825-N.d SUBJECT_SAMPLE_FACTORS SU0037482 S00041826 Sample type:Sample | Gender:male Batch=2; Age=12; CHEAR Sample name=C-1QTX3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041826-P.d 20190916-EX00973-A003-IN0029-S00041826-N.d SUBJECT_SAMPLE_FACTORS SU0037483 S00041827 Sample type:Sample | Gender:male Batch=2; Age=12; CHEAR Sample name=C-1QU26-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041827-P.d 20190916-EX00973-A003-IN0029-S00041827-N.d SUBJECT_SAMPLE_FACTORS SU0037484 S00041828 Sample type:Sample | Gender:male Batch=2; Age=11; CHEAR Sample name=C-1QU67-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041828-P.d 20190916-EX00973-A003-IN0029-S00041828-N.d SUBJECT_SAMPLE_FACTORS SU0037485 S00041829 Sample type:Sample | Gender:male Batch=1; Age=8; CHEAR Sample name=C-1QUB1-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041829-P.d 20190909-EX00973-A003-IN0029-S00041829-N.d SUBJECT_SAMPLE_FACTORS SU0037486 S00041830 Sample type:Sample | Gender:female Batch=1; Age=7; CHEAR Sample name=C-1QUE4-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041830-P.d 20190909-EX00973-A003-IN0029-S00041830-N.d SUBJECT_SAMPLE_FACTORS SU0037487 S00041831 Sample type:Sample | Gender:female Batch=2; Age=11; CHEAR Sample name=C-1QUN4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041831-P.d 20190916-EX00973-A003-IN0029-S00041831-N.d SUBJECT_SAMPLE_FACTORS SU0037488 S00041832 Sample type:Sample | Gender:male Batch=2; Age=8; CHEAR Sample name=C-1QUV7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041832-P.d 20190916-EX00973-A003-IN0029-S00041832-N.d SUBJECT_SAMPLE_FACTORS SU0037489 S00041833 Sample type:Sample | Gender:female Batch=1; Age=10; CHEAR Sample name=C-1QV74-S-07; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-S00041833-P.d 20190909-EX00973-A003-IN0029-S00041833-N.d SUBJECT_SAMPLE_FACTORS SU0037490 S00041834 Sample type:Sample | Gender:male Batch=2; Age=5; CHEAR Sample name=C-1QVK0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041834-P.d 20190916-EX00973-A003-IN0029-S00041834-N.d SUBJECT_SAMPLE_FACTORS SU0037491 S00041835 Sample type:Sample | Gender:male Batch=2; Age=8; CHEAR Sample name=C-1QVP9-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041835-P.d 20190916-EX00973-A003-IN0029-S00041835-N.d SUBJECT_SAMPLE_FACTORS SU0037492 S00041836 Sample type:Sample | Gender:male Batch=2; Age=11; CHEAR Sample name=C-1QVU8-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041836-P.d 20190916-EX00973-A003-IN0029-S00041836-N.d SUBJECT_SAMPLE_FACTORS SU0037493 S00041837 Sample type:Sample | Gender:male Batch=2; Age=12; CHEAR Sample name=C-1QVY9-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041837-P.d 20190916-EX00973-A003-IN0029-S00041837-N.d SUBJECT_SAMPLE_FACTORS SU0037494 S00041838 Sample type:Sample | Gender:female Batch=2; Age=12; CHEAR Sample name=C-1QW99-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041838-P.d 20190916-EX00973-A003-IN0029-S00041838-N.d SUBJECT_SAMPLE_FACTORS SU0037495 S00041839 Sample type:Sample | Gender:male Batch=2; Age=6; CHEAR Sample name=C-1QWD4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041839-P.d 20190916-EX00973-A003-IN0029-S00041839-N.d SUBJECT_SAMPLE_FACTORS SU0037496 S00041840 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QWJ1-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041840-P.d 20190916-EX00973-A003-IN0029-S00041840-N.d SUBJECT_SAMPLE_FACTORS SU0037497 S00041841 Sample type:Sample | Gender:female Batch=2; Age=12; CHEAR Sample name=C-1QWL7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041841-P.d 20190916-EX00973-A003-IN0029-S00041841-N.d SUBJECT_SAMPLE_FACTORS SU0037498 S00041842 Sample type:Sample | Gender:female Batch=2; Age=5; CHEAR Sample name=C-1QWX0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041842-P.d 20190916-EX00973-A003-IN0029-S00041842-N.d SUBJECT_SAMPLE_FACTORS SU0037499 S00041843 Sample type:Sample | Gender:female Batch=2; Age=8; CHEAR Sample name=C-1QX31-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041843-P.d 20190916-EX00973-A003-IN0029-S00041843-N.d SUBJECT_SAMPLE_FACTORS SU0037500 S00041844 Sample type:Sample | Gender:male Batch=2; Age=6; CHEAR Sample name=C-1QX72-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041844-P.d 20190916-EX00973-A003-IN0029-S00041844-N.d SUBJECT_SAMPLE_FACTORS SU0037501 S00041845 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QXC6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041845-P.d 20190916-EX00973-A003-IN0029-S00041845-N.d SUBJECT_SAMPLE_FACTORS SU0037502 S00041846 Sample type:Sample | Gender:female Batch=2; Age=10; CHEAR Sample name=C-1QXD3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041846-P.d 20190916-EX00973-A003-IN0029-S00041846-N.d SUBJECT_SAMPLE_FACTORS SU0037503 S00041847 Sample type:Sample | Gender:female Batch=2; Age=5; CHEAR Sample name=C-1QXN1-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041847-P.d 20190916-EX00973-A003-IN0029-S00041847-N.d SUBJECT_SAMPLE_FACTORS SU0037504 S00041848 Sample type:Sample | Gender:male Batch=3; Age=7; CHEAR Sample name=C-1QY06-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041848-P.d 20190916-EX00973-A003-IN0029-S00041848-N.d SUBJECT_SAMPLE_FACTORS SU0037505 S00041849 Sample type:Sample | Gender:male Batch=3; Age=12; CHEAR Sample name=C-1QYT7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041849-P.d 20190916-EX00973-A003-IN0029-S00041849-N.d SUBJECT_SAMPLE_FACTORS SU0037506 S00041850 Sample type:Sample | Gender:female Batch=2; Age=8; CHEAR Sample name=C-1QYP6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041850-P.d 20190916-EX00973-A003-IN0029-S00041850-N.d SUBJECT_SAMPLE_FACTORS SU0037507 S00041851 Sample type:Sample | Gender:male Batch=2; Age=10; CHEAR Sample name=C-1QY63-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041851-P.d 20190916-EX00973-A003-IN0029-S00041851-N.d SUBJECT_SAMPLE_FACTORS SU0037508 S00041852 Sample type:Sample | Gender:female Batch=2; Age=8; CHEAR Sample name=C-1QYY6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041852-P.d 20190916-EX00973-A003-IN0029-S00041852-N.d SUBJECT_SAMPLE_FACTORS SU0037509 S00041853 Sample type:Sample | Gender:male Batch=3; Age=14; CHEAR Sample name=C-1QZ05-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041853-P.d 20190916-EX00973-A003-IN0029-S00041853-N.d SUBJECT_SAMPLE_FACTORS SU0037510 S00041854 Sample type:Sample | Gender:female Batch=3; Age=10; CHEAR Sample name=C-1QZ21-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041854-P.d 20190916-EX00973-A003-IN0029-S00041854-N.d SUBJECT_SAMPLE_FACTORS SU0037511 S00041855 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1QZB6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041855-P.d 20190916-EX00973-A003-IN0029-S00041855-N.d SUBJECT_SAMPLE_FACTORS SU0037512 S00041856 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1QZC4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041856-P.d 20190916-EX00973-A003-IN0029-S00041856-N.d SUBJECT_SAMPLE_FACTORS SU0037513 S00041857 Sample type:Sample | Gender:male Batch=3; Age=14; CHEAR Sample name=C-1QZH3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041857-P.d 20190916-EX00973-A003-IN0029-S00041857-N.d SUBJECT_SAMPLE_FACTORS SU0037514 S00041858 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1QZK6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041858-P.d 20190916-EX00973-A003-IN0029-S00041858-N.d SUBJECT_SAMPLE_FACTORS SU0037515 S00041859 Sample type:Sample | Gender:female Batch=3; Age=8; CHEAR Sample name=C-1QZM2-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041859-P.d 20190916-EX00973-A003-IN0029-S00041859-N.d SUBJECT_SAMPLE_FACTORS SU0037516 S00041860 Sample type:Sample | Gender:male Batch=2; Age=14; CHEAR Sample name=C-1QZW0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041860-P.d 20190916-EX00973-A003-IN0029-S00041860-N.d SUBJECT_SAMPLE_FACTORS SU0037517 S00041861 Sample type:Sample | Gender:female Batch=3; Age=16; CHEAR Sample name=C-1R005-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041861-P.d 20190916-EX00973-A003-IN0029-S00041861-N.d SUBJECT_SAMPLE_FACTORS SU0037518 S00041862 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1R021-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041862-P.d 20190916-EX00973-A003-IN0029-S00041862-N.d SUBJECT_SAMPLE_FACTORS SU0037519 S00041863 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1R096-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041863-P.d 20190916-EX00973-A003-IN0029-S00041863-N.d SUBJECT_SAMPLE_FACTORS SU0037520 S00041864 Sample type:Sample | Gender:male Batch=3; Age=12; CHEAR Sample name=C-1R0B6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041864-P.d 20190916-EX00973-A003-IN0029-S00041864-N.d SUBJECT_SAMPLE_FACTORS SU0037521 S00041865 Sample type:Sample | Gender:male Batch=3; Age=12; CHEAR Sample name=C-1R0C4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041865-P.d 20190916-EX00973-A003-IN0029-S00041865-N.d SUBJECT_SAMPLE_FACTORS SU0037522 S00041866 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1R0J8-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041866-P.d 20190916-EX00973-A003-IN0029-S00041866-N.d SUBJECT_SAMPLE_FACTORS SU0037523 S00041867 Sample type:Sample | Gender:male Batch=3; Age=13; CHEAR Sample name=C-1R0P5-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041867-P.d 20190916-EX00973-A003-IN0029-S00041867-N.d SUBJECT_SAMPLE_FACTORS SU0037524 S00041868 Sample type:Sample | Gender:male Batch=3; Age=9; CHEAR Sample name=C-1R0T6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041868-P.d 20190916-EX00973-A003-IN0029-S00041868-N.d SUBJECT_SAMPLE_FACTORS SU0037525 S00041869 Sample type:Sample | Gender:female Batch=2; Age=14; CHEAR Sample name=C-1R0V2-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041869-P.d 20190916-EX00973-A003-IN0029-S00041869-N.d SUBJECT_SAMPLE_FACTORS SU0037526 S00041870 Sample type:Sample | Gender:female Batch=3; Age=14; CHEAR Sample name=C-1R138-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041870-P.d 20190916-EX00973-A003-IN0029-S00041870-N.d SUBJECT_SAMPLE_FACTORS SU0037527 S00041871 Sample type:Sample | Gender:male Batch=3; Age=10; CHEAR Sample name=C-1R195-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041871-P.d 20190916-EX00973-A003-IN0029-S00041871-N.d SUBJECT_SAMPLE_FACTORS SU0037528 S00041872 Sample type:Sample | Gender:female Batch=3; Age=15; CHEAR Sample name=C-1R1D0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041872-P.d 20190916-EX00973-A003-IN0029-S00041872-N.d SUBJECT_SAMPLE_FACTORS SU0037529 S00041873 Sample type:Sample | Gender:female Batch=3; Age=10; CHEAR Sample name=C-1R1K5-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041873-P.d 20190916-EX00973-A003-IN0029-S00041873-N.d SUBJECT_SAMPLE_FACTORS SU0037530 S00041874 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1R1N8-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041874-P.d 20190916-EX00973-A003-IN0029-S00041874-N.d SUBJECT_SAMPLE_FACTORS SU0037531 S00041875 Sample type:Sample | Gender:female Batch=3; Age=8; CHEAR Sample name=C-1R1R0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041875-P.d 20190916-EX00973-A003-IN0029-S00041875-N.d SUBJECT_SAMPLE_FACTORS SU0037532 S00041876 Sample type:Sample | Gender:female Batch=2; Age=11; CHEAR Sample name=C-1R1U3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041876-P.d 20190916-EX00973-A003-IN0029-S00041876-N.d SUBJECT_SAMPLE_FACTORS SU0037533 S00041877 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-1R1X6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041877-P.d 20190916-EX00973-A003-IN0029-S00041877-N.d SUBJECT_SAMPLE_FACTORS SU0037534 S00041878 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-1R2L2-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041878-P.d 20190916-EX00973-A003-IN0029-S00041878-N.d SUBJECT_SAMPLE_FACTORS SU0037535 S00041879 Sample type:Sample | Gender:female Batch=3; Age=13; CHEAR Sample name=C-1R2N7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041879-P.d 20190916-EX00973-A003-IN0029-S00041879-N.d SUBJECT_SAMPLE_FACTORS SU0037536 S00041880 Sample type:Sample | Gender:female Batch=3; Age=8; CHEAR Sample name=C-1R302-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041880-P.d 20190916-EX00973-A003-IN0029-S00041880-N.d SUBJECT_SAMPLE_FACTORS SU0037537 S00041881 Sample type:Sample | Gender:male Batch=3; Age=13; CHEAR Sample name=C-1R3J5-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041881-P.d 20190916-EX00973-A003-IN0029-S00041881-N.d SUBJECT_SAMPLE_FACTORS SU0037538 S00041882 Sample type:Sample | Gender:male Batch=2; Age=9; CHEAR Sample name=C-KJ7G9-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041882-P.d 20190916-EX00973-A003-IN0029-S00041882-N.d SUBJECT_SAMPLE_FACTORS SU0037539 S00041883 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-KSCD3-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041883-P.d 20190916-EX00973-A003-IN0029-S00041883-N.d SUBJECT_SAMPLE_FACTORS SU0037540 S00041884 Sample type:Sample | Gender:female Batch=2; Age=12; CHEAR Sample name=C-KXSG0-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041884-P.d 20190916-EX00973-A003-IN0029-S00041884-N.d SUBJECT_SAMPLE_FACTORS SU0037541 S00041885 Sample type:Sample | Gender:male Batch=3; Age=12; CHEAR Sample name=C-MBZ18-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041885-P.d 20190916-EX00973-A003-IN0029-S00041885-N.d SUBJECT_SAMPLE_FACTORS SU0037542 S00041886 Sample type:Sample | Gender:female Batch=3; Age=12; CHEAR Sample name=C-MQQT7-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041886-P.d 20190916-EX00973-A003-IN0029-S00041886-N.d SUBJECT_SAMPLE_FACTORS SU0037543 S00041887 Sample type:Sample | Gender:male Batch=3; Age=14; CHEAR Sample name=C-PG2J9-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041887-P.d 20190916-EX00973-A003-IN0029-S00041887-N.d SUBJECT_SAMPLE_FACTORS SU0037544 S00041888 Sample type:Sample | Gender:female Batch=3; Age=15; CHEAR Sample name=C-PLVW4-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041888-P.d 20190916-EX00973-A003-IN0029-S00041888-N.d SUBJECT_SAMPLE_FACTORS SU0037545 S00041889 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-PTDV6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041889-P.d 20190916-EX00973-A003-IN0029-S00041889-N.d SUBJECT_SAMPLE_FACTORS SU0037546 S00041890 Sample type:Sample | Gender:female Batch=3; Age=12; CHEAR Sample name=C-PTZU6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041890-P.d 20190916-EX00973-A003-IN0029-S00041890-N.d SUBJECT_SAMPLE_FACTORS SU0037547 S00041891 Sample type:Sample | Gender:female Batch=3; Age=11; CHEAR Sample name=C-PVCG6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041891-P.d 20190916-EX00973-A003-IN0029-S00041891-N.d SUBJECT_SAMPLE_FACTORS SU0037548 S00041892 Sample type:Sample | Gender:female Batch=2; Age=13; CHEAR Sample name=C-QS943-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041892-P.d 20190916-EX00973-A003-IN0029-S00041892-N.d SUBJECT_SAMPLE_FACTORS SU0037549 S00041893 Sample type:Sample | Gender:female Batch=2; Age=12; CHEAR Sample name=C-R9WQ6-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041893-P.d 20190916-EX00973-A003-IN0029-S00041893-N.d SUBJECT_SAMPLE_FACTORS SU0037550 S00041894 Sample type:Sample | Gender:female Batch=3; Age=12; CHEAR Sample name=C-RMEU1-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041894-P.d 20190916-EX00973-A003-IN0029-S00041894-N.d SUBJECT_SAMPLE_FACTORS SU0037551 S00041895 Sample type:Sample | Gender:female Batch=3; Age=15; CHEAR Sample name=C-RY592-S-07; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041895-P.d 20190916-EX00973-A003-IN0029-S00041895-N.d SUBJECT_SAMPLE_FACTORS SU0037552 S00041896 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1QAT1-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041896-P.d 20190916-EX00973-A003-IN0029-S00041896-N.d SUBJECT_SAMPLE_FACTORS SU0037553 S00041897 Sample type:Sample | Gender:male Batch=2; Age=11; CHEAR Sample name=C-1QAU9-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041897-P.d 20190916-EX00973-A003-IN0029-S00041897-N.d SUBJECT_SAMPLE_FACTORS SU0037554 S00041898 Sample type:Sample | Gender:male Batch=2; Age=8; CHEAR Sample name=C-1QAV7-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041898-P.d 20190916-EX00973-A003-IN0029-S00041898-N.d SUBJECT_SAMPLE_FACTORS SU0037555 S00041899 Sample type:Sample | Gender:male Batch=3; Age=9; CHEAR Sample name=C-1QB33-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041899-P.d 20190916-EX00973-A003-IN0029-S00041899-N.d SUBJECT_SAMPLE_FACTORS SU0037556 S00041900 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1QB41-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041900-P.d 20190916-EX00973-A003-IN0029-S00041900-N.d SUBJECT_SAMPLE_FACTORS SU0037557 S00041901 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1QBT0-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041901-P.d 20190916-EX00973-A003-IN0029-S00041901-N.d SUBJECT_SAMPLE_FACTORS SU0037558 S00041902 Sample type:Sample | Gender:female Batch=3; Age=7; CHEAR Sample name=C-1QBU8-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041902-P.d 20190916-EX00973-A003-IN0029-S00041902-N.d SUBJECT_SAMPLE_FACTORS SU0037559 S00041903 Sample type:Sample | Gender:female Batch=3; Age=9; CHEAR Sample name=C-1QC73-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041903-P.d 20190916-EX00973-A003-IN0029-S00041903-N.d SUBJECT_SAMPLE_FACTORS SU0037560 S00041904 Sample type:Sample | Gender:male Batch=3; Age=5; CHEAR Sample name=C-1QCG8-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041904-P.d 20190916-EX00973-A003-IN0029-S00041904-N.d SUBJECT_SAMPLE_FACTORS SU0037561 S00041905 Sample type:Sample | Gender:male Batch=3; Age=9; CHEAR Sample name=C-1QDF9-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041905-P.d 20190916-EX00973-A003-IN0029-S00041905-N.d SUBJECT_SAMPLE_FACTORS SU0037562 S00041906 Sample type:Sample | Gender:female Batch=3; Age=11; CHEAR Sample name=C-1QGS7-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041906-P.d 20190916-EX00973-A003-IN0029-S00041906-N.d SUBJECT_SAMPLE_FACTORS SU0037563 S00041907 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1QHH1-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041907-P.d 20190916-EX00973-A003-IN0029-S00041907-N.d SUBJECT_SAMPLE_FACTORS SU0037564 S00041908 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1QXU6-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041908-P.d 20190916-EX00973-A003-IN0029-S00041908-N.d SUBJECT_SAMPLE_FACTORS SU0037565 S00041909 Sample type:Sample | Gender:female Batch=3; Age=10; CHEAR Sample name=C-1QM81-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041909-P.d 20190916-EX00973-A003-IN0029-S00041909-N.d SUBJECT_SAMPLE_FACTORS SU0037566 S00041910 Sample type:Sample | Gender:male Batch=3; Age=5; CHEAR Sample name=C-1QS10-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041910-P.d 20190916-EX00973-A003-IN0029-S00041910-N.d SUBJECT_SAMPLE_FACTORS SU0037567 S00041911 Sample type:Sample | Gender:male Batch=3; Age=7; CHEAR Sample name=C-1QSH0-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041911-P.d 20190916-EX00973-A003-IN0029-S00041911-N.d SUBJECT_SAMPLE_FACTORS SU0037568 S00041912 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-1QUF2-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041912-P.d 20190916-EX00973-A003-IN0029-S00041912-N.d SUBJECT_SAMPLE_FACTORS SU0037569 S00041913 Sample type:Sample | Gender:female Batch=3; Age=12; CHEAR Sample name=C-1QXL6-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041913-P.d 20190916-EX00973-A003-IN0029-S00041913-N.d SUBJECT_SAMPLE_FACTORS SU0037570 S00041914 Sample type:Sample | Gender:male Batch=3; Age=12; CHEAR Sample name=C-1QYL5-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041914-P.d 20190916-EX00973-A003-IN0029-S00041914-N.d SUBJECT_SAMPLE_FACTORS SU0037571 S00041915 Sample type:Sample | Gender:female Batch=3; Age=14; CHEAR Sample name=C-1R0D1-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041915-P.d 20190916-EX00973-A003-IN0029-S00041915-N.d SUBJECT_SAMPLE_FACTORS SU0037572 S00041916 Sample type:Sample | Gender:male Batch=3; Age=9; CHEAR Sample name=C-1R1G4-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041916-P.d 20190916-EX00973-A003-IN0029-S00041916-N.d SUBJECT_SAMPLE_FACTORS SU0037573 S00041917 Sample type:Sample | Gender:male Batch=3; Age=11; CHEAR Sample name=C-1R286-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041917-P.d 20190916-EX00973-A003-IN0029-S00041917-N.d SUBJECT_SAMPLE_FACTORS SU0037574 S00041918 Sample type:Sample | Gender:female Batch=3; Age=9; CHEAR Sample name=C-1R2B4-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041918-P.d 20190916-EX00973-A003-IN0029-S00041918-N.d SUBJECT_SAMPLE_FACTORS SU0037575 S00041919 Sample type:Sample | Gender:female Batch=3; Age=12; CHEAR Sample name=C-1R2S6-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041919-P.d 20190916-EX00973-A003-IN0029-S00041919-N.d SUBJECT_SAMPLE_FACTORS SU0037576 S00041920 Sample type:Sample | Gender:male Batch=3; Age=12; CHEAR Sample name=C-1R336-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041920-P.d 20190916-EX00973-A003-IN0029-S00041920-N.d SUBJECT_SAMPLE_FACTORS SU0037577 S00041921 Sample type:Sample | Gender:male Batch=3; Age=17; CHEAR Sample name=C-N5SC3-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041921-P.d 20190916-EX00973-A003-IN0029-S00041921-N.d SUBJECT_SAMPLE_FACTORS SU0037578 S00041922 Sample type:Sample | Gender:male Batch=3; Age=8; CHEAR Sample name=C-N8K63-06; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-S00041922-P.d 20190916-EX00973-A003-IN0029-S00041922-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-1-01 Sample type:master pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000MP-01-P.d 20190909-EX00973-A003-IN0029-CS00000MP-01-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-1-02 Sample type:master pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000MP-02-P.d 20190909-EX00973-A003-IN0029-CS00000MP-02-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-1-03 Sample type:master pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000MP-03-P.d 20190909-EX00973-A003-IN0029-CS00000MP-03-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-1-04 Sample type:master pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000MP-04-P.d 20190909-EX00973-A003-IN0029-CS00000MP-04-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-2-01 Sample type:master pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-01-P.d 20190916-EX00973-A003-IN0029-CS00000MP-01-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-2-02 Sample type:master pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-02-P.d 20190916-EX00973-A003-IN0029-CS00000MP-02-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-2-03 Sample type:master pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-03-P.d 20190916-EX00973-A003-IN0029-CS00000MP-03-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-2-04 Sample type:master pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-04-P.d 20190916-EX00973-A003-IN0029-CS00000MP-04-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-3-01 Sample type:master pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-01-P.d 20190916-EX00973-A003-IN0029-CS00000MP-01-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-3-02 Sample type:master pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-02-P.d 20190916-EX00973-A003-IN0029-CS00000MP-02-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-3-03 Sample type:master pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-03-P.d 20190916-EX00973-A003-IN0029-CS00000MP-03-N.d SUBJECT_SAMPLE_FACTORS - CS00000MP-3-04 Sample type:master pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000MP-04-P.d 20190916-EX00973-A003-IN0029-CS00000MP-04-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-1-01 Sample type:red cross plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000RC-01-P.d 20190909-EX00973-A003-IN0029-CS00000RC-01-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-1-02 Sample type:red cross plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000RC-02-P.d 20190909-EX00973-A003-IN0029-CS00000RC-02-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-1-03 Sample type:red cross plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000RC-03-P.d 20190909-EX00973-A003-IN0029-CS00000RC-03-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-1-04 Sample type:red cross plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS00000RC-04-P.d 20190909-EX00973-A003-IN0029-CS00000RC-04-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-2-01 Sample type:red cross plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-01-P.d 20190916-EX00973-A003-IN0029-CS00000RC-01-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-2-02 Sample type:red cross plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-02-P.d 20190916-EX00973-A003-IN0029-CS00000RC-02-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-2-03 Sample type:red cross plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-03-P.d 20190916-EX00973-A003-IN0029-CS00000RC-03-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-2-04 Sample type:red cross plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-04-P.d 20190916-EX00973-A003-IN0029-CS00000RC-04-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-3-01 Sample type:red cross plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-01-P.d 20190916-EX00973-A003-IN0029-CS00000RC-01-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-3-02 Sample type:red cross plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-02-P.d 20190916-EX00973-A003-IN0029-CS00000RC-02-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-3-03 Sample type:red cross plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-03-P.d 20190916-EX00973-A003-IN0029-CS00000RC-03-N.d SUBJECT_SAMPLE_FACTORS - CS00000RC-3-04 Sample type:red cross plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS00000RC-04-P.d 20190916-EX00973-A003-IN0029-CS00000RC-04-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-01 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-01-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-01-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-02 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-02-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-02-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-03 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-03-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-03-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-04 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-04-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-04-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-05 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-05-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-05-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-06 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-06-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-06-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-07 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-07-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-07-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-08 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-08-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-08-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-09 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-09-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-09-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-10 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-10-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-10-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-1-11 Sample type:batch pool | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-CS000QCMP-11-P.d 20190909-EX00973-A003-IN0029-CS000QCMP-11-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-01 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-01-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-01-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-02 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-02-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-02-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-03 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-03-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-03-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-04 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-04-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-04-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-05 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-05-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-05-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-06 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-06-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-06-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-07 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-07-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-07-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-08 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-08-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-08-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-09 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-09-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-09-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-10 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-10-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-10-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-11 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-11-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-11-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-2-12 Sample type:batch pool | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-12-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-12-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-01 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-01-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-01-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-02 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-02-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-02-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-03 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-03-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-03-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-04 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-04-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-04-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-05 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-05-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-05-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-06 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-06-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-06-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-07 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-07-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-07-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-08 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-08-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-08-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-09 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-09-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-09-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-10 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-10-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-10-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-11 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-11-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-11-N.d SUBJECT_SAMPLE_FACTORS - CS000QCMP-3-12 Sample type:batch pool | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-CS000QCMP-12-P.d 20190916-EX00973-A003-IN0029-CS000QCMP-12-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-1-01 Sample type:chear plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-R00CHRPL1-01-P.d 20190909-EX00973-A003-IN0029-R00CHRPL1-01-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-1-02 Sample type:chear plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-R00CHRPL1-02-P.d 20190909-EX00973-A003-IN0029-R00CHRPL1-02-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-1-03 Sample type:chear plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-R00CHRPL1-03-P.d 20190909-EX00973-A003-IN0029-R00CHRPL1-03-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-1-04 Sample type:chear plasma | Gender:- Batch=1; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190909-EX00973-A003-IN0029-R00CHRPL1-04-P.d 20190909-EX00973-A003-IN0029-R00CHRPL1-04-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-2-01 Sample type:chear plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-01-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-01-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-2-02 Sample type:chear plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-02-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-02-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-2-03 Sample type:chear plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-03-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-03-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-2-04 Sample type:chear plasma | Gender:- Batch=2; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-04-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-04-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-3-01 Sample type:chear plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-01-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-01-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-3-02 Sample type:chear plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-02-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-02-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-3-03 Sample type:chear plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-03-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-03-N.d SUBJECT_SAMPLE_FACTORS - R00CHRPL1-3-04 Sample type:chear plasma | Gender:- Batch=3; Age=-; CHEAR Sample name=-; RAW_FILE_NAME=20190916-EX00973-A003-IN0029-R00CHRPL1-04-P.d 20190916-EX00973-A003-IN0029-R00CHRPL1-04-N.d #COLLECTION CO:COLLECTION_SUMMARY Standard blood serum collection CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY This is an observational study with no specific treatments applied. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Standard untargeted analysis sample preparation protocol SP:SAMPLEPREP_PROTOCOL_FILENAME Untargeted_metabolomics_analysis.doc #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Negative mode RP CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters Acquity BEH C8 (100 x 2.1mm, 1.7um) CH:METHODS_FILENAME Modified-Neg-LCMS1.m.7z #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6540 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS1 acquisition followed by targeted search and manual curation using Agilent MS:MS_COMMENTS ProFinder software #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area normalized MS_METABOLITE_DATA_START Samples CS00000MP-1-01 CS00000MP-1-02 CS00000MP-1-03 CS00000MP-1-04 CS00000MP-2-01 CS00000MP-2-02 CS00000MP-2-03 CS00000MP-2-04 CS00000MP-3-01 CS00000MP-3-02 CS00000MP-3-03 CS00000MP-3-04 CS00000RC-1-01 CS00000RC-1-02 CS00000RC-1-03 CS00000RC-1-04 CS00000RC-2-01 CS00000RC-2-02 CS00000RC-2-03 CS00000RC-2-04 CS00000RC-3-01 CS00000RC-3-02 CS00000RC-3-03 CS00000RC-3-04 CS000QCMP-1-01 CS000QCMP-1-02 CS000QCMP-1-03 CS000QCMP-1-04 CS000QCMP-1-05 CS000QCMP-1-06 CS000QCMP-1-07 CS000QCMP-1-08 CS000QCMP-1-09 CS000QCMP-1-10 CS000QCMP-1-11 CS000QCMP-2-01 CS000QCMP-2-02 CS000QCMP-2-03 CS000QCMP-2-04 CS000QCMP-2-05 CS000QCMP-2-06 CS000QCMP-2-07 CS000QCMP-2-08 CS000QCMP-2-09 CS000QCMP-2-10 CS000QCMP-2-11 CS000QCMP-2-12 CS000QCMP-3-01 CS000QCMP-3-02 CS000QCMP-3-03 CS000QCMP-3-04 CS000QCMP-3-05 CS000QCMP-3-06 CS000QCMP-3-07 CS000QCMP-3-08 CS000QCMP-3-09 CS000QCMP-3-10 CS000QCMP-3-11 CS000QCMP-3-12 R00CHRPL1-1-01 R00CHRPL1-1-02 R00CHRPL1-1-03 R00CHRPL1-1-04 R00CHRPL1-2-01 R00CHRPL1-2-02 R00CHRPL1-2-03 R00CHRPL1-2-04 R00CHRPL1-3-01 R00CHRPL1-3-02 R00CHRPL1-3-03 R00CHRPL1-3-04 S00041738 S00041739 S00041740 S00041741 S00041742 S00041743 S00041744 S00041745 S00041746 S00041747 S00041748 S00041749 S00041750 S00041751 S00041752 S00041753 S00041754 S00041755 S00041756 S00041757 S00041758 S00041759 S00041760 S00041761 S00041762 S00041763 S00041764 S00041765 S00041766 S00041767 S00041768 S00041769 S00041770 S00041771 S00041772 S00041773 S00041774 S00041775 S00041776 S00041777 S00041778 S00041779 S00041780 S00041781 S00041782 S00041783 S00041784 S00041785 S00041786 S00041787 S00041788 S00041789 S00041790 S00041791 S00041792 S00041793 S00041794 S00041795 S00041796 S00041797 S00041798 S00041799 S00041800 S00041801 S00041802 S00041803 S00041804 S00041805 S00041806 S00041807 S00041808 S00041809 S00041810 S00041811 S00041812 S00041813 S00041814 S00041815 S00041816 S00041817 S00041818 S00041819 S00041820 S00041821 S00041822 S00041823 S00041824 S00041825 S00041826 S00041827 S00041828 S00041829 S00041830 S00041831 S00041832 S00041833 S00041834 S00041835 S00041836 S00041837 S00041838 S00041839 S00041840 S00041841 S00041842 S00041843 S00041844 S00041845 S00041846 S00041847 S00041848 S00041849 S00041850 S00041851 S00041852 S00041853 S00041854 S00041855 S00041856 S00041857 S00041858 S00041859 S00041860 S00041861 S00041862 S00041863 S00041864 S00041865 S00041866 S00041867 S00041868 S00041869 S00041870 S00041871 S00041872 S00041873 S00041874 S00041875 S00041876 S00041877 S00041878 S00041879 S00041880 S00041881 S00041882 S00041883 S00041884 S00041885 S00041886 S00041887 S00041888 S00041889 S00041890 S00041891 S00041892 S00041893 S00041894 S00041895 S00041896 S00041897 S00041898 S00041899 S00041900 S00041901 S00041902 S00041903 S00041904 S00041905 S00041906 S00041907 S00041908 S00041909 S00041910 S00041911 S00041912 S00041913 S00041914 S00041915 S00041916 S00041917 S00041918 S00041919 S00041920 S00041921 S00041922 Factors Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:master pool | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:red cross plasma | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:batch pool | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:chear plasma | Gender:- Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:female Sample type:Sample | Gender:female Sample type:Sample | Gender:male Sample type:Sample | Gender:male Sample type:Sample | Gender:male 1-methylurate 11672 13199 12855 12869 12782 12388 12262 12311 11833 12033 12409 12189 32541 33745 26816 29220 59180 57328 51091 49453 50344 46749 37285 41617 12184 12179 12552 12957 11952 12421 12040 12548 12318 12186 11559 12472 11589 11841 12672 11217 12447 11666 12073 12578 13109 12472 11606 13090 12544 12128 12120 12356 12382 12343 11021 12994 12618 12283 13050 24567 23456 23420 23754 42605 44726 40183 38623 36113 39007 32120 31583 10044 18764 8928 5841 11977 10069 15752 8480 12005 5715 22670 8656 15966 10884 9107 12869 15285 6355 9657 11068 10463 8596 8866 14529 9900 9589 10750 8419 9644 11136 9446 11956 19501 11513 5154 11727 35227 5998 8643 8207 8977 10985 11041 8775 11542 6631 7205 7922 7955 8389 7741 7757 10293 10635 8645 22031 8344 53284 18744 17948 8424 12679 7112 17007 7478 7533 9755 6908 13469 11751 7805 10272 21484 7754 11967 20683 11621 1205 1542 1966 7649 37622 11720 11608 9132 6573 9005 11996 12267 11788 9847 6299 41573 9615 6892 11521 6934 8602 9488 19389 16519 33598 8675 10909 11806 6703 9463 7050 6258 6111 7389 10260 8739 6644 12511 6840 5887 21576 6306 30356 5120 9653 9228 17447 8325 9414 74433 9171 16332 8341 6185 5987 8299 7407 10335 16074 6446 16156 9078 11113 9752 21688 4550 11084 8073 7316 15566 13126 12030 7208 6981 39785 33510 5924 9839 12213 5402 39224 11850 29757 35734 10290 55582 10791 9406 8607 20907 7358 31122 22997 13038 6780 5255 78654 11641 10378 5553 9436 5871 5686 7103 18045 33898 51315 7050 2-acetylpyrrolidine 240282 237047 232307 234294 218956 229689 239106 223673 233262 234774 235170 231435 158454 158308 130009 131204 122172 121782 109003 120222 131800 116492 120556 117467 236474 242669 234182 240487 240236 236526 237211 237102 235638 242533 230755 237072 239504 239380 236293 234254 237380 238544 236366 234851 241180 237076 240724 240713 241761 237386 239798 236763 235393 238437 236594 235094 246112 238484 241822 152711 155732 141389 134799 158354 161115 146674 148910 142630 154785 140543 135587 78817 175076 146950 100271 79657 73868 38679 136364 137036 67731 526674 99287 205549 146138 230362 140078 457098 123118 82555 112182 116012 198412 65737 148728 73134 107666 208530 105509 95875 92580 433326 182117 89828 122787 58894 90962 93783 79445 89882 88717 162700 66325 96205 88492 147072 174873 70946 93634 59494 138592 84834 715241 74380 337887 93160 148214 199684 58645 84851 83747 100850 176877 124421 136194 104464 111337 156540 67989 119808 115598 152905 68500 77589 137079 86814 388675 66552 19799 21323 16191 156329 891276 131227 112994 57292 169898 70824 173532 591761 107210 58254 165546 103805 69794 95662 76460 156988 1073941 90735 37139 65865 81969 76333 77871 145188 140859 151277 73022 63127 193817 208434 201962 656923 239997 41790 59146 64349 94423 155787 36262 47711 121774 985759 64521 735698 160110 74876 94922 87124 134831 82240 70649 91129 107077 71040 41601 35695 62709 193776 126099 89469 698921 62572 182733 409922 139751 86795 178513 120361 76919 30357 97952 144794 123212 137751 81684 98908 180919 189540 164415 236922 87097 90299 89845 136950 108957 51523 113181 232724 194145 124853 106854 117910 121866 53220 666426 137269 136358 74409 137162 56969 67164 143247 176868 254347 2-deoxyglucose 69521 66968 68264 68256 67470 69704 66123 61681 65059 67882 66170 64903 20413 17806 16802 15704 17351 18983 16256 18068 17715 19663 17834 17981 67349 65859 68674 66950 66448 66543 67497 66057 66222 65749 63594 67680 68324 68646 67091 67594 66178 66444 66827 67935 66416 66692 66534 68657 71731 66982 64757 66243 67657 67212 66592 65403 67358 66936 67174 21075 19404 15570 15853 19270 18551 18470 19074 22126 22646 19871 20337 75516 71446 47756 67727 86410 58334 79094 71185 21915 91119 75546 110519 95085 57151 66351 91763 56745 79316 79360 71885 93246 121651 152570 58764 71555 79000 119932 79225 74788 77328 63767 66284 105721 93492 67674 59974 161921 78636 81121 80227 64487 109406 34574 83884 114611 94247 69613 89758 69380 47472 61652 44191 80292 80494 89949 87408 26708 72604 50222 66318 59555 55030 26939 101179 49035 128653 78194 76955 70500 79670 75995 55663 57061 77419 69895 64466 85509 206 387 733 68547 134951 100914 96291 70048 80249 71812 124416 87673 61883 85333 44523 83700 43287 75994 88174 36009 80643 69150 73378 75939 79055 102655 91718 57781 91494 50300 37726 85638 99071 75842 75344 41501 75768 48975 85073 127528 71711 53878 55729 66914 60074 88938 67502 66099 62333 83706 77832 57225 66316 107520 81272 80365 92799 92466 87392 101324 104966 90703 91327 100076 56534 69102 99309 73295 68936 53136 57427 68696 99862 77761 117862 67975 61152 88105 88784 99196 47529 91798 85490 92741 99721 75775 109009 79374 70310 38425 103235 50020 77054 66107 80450 42761 46945 73464 77343 89511 73336 94559 86372 54878 103743 111630 47912 76088 2-hydroxy-3-methylbutyrate 727903 731692 728167 727626 726483 735374 716446 723854 724676 731133 730049 725402 689325 682275 768766 735316 762686 763559 797686 782451 752606 757309 783302 791699 731802 729048 720655 729855 728970 725096 729784 728434 724588 729816 737594 727446 728028 734780 726391 729709 731301 727989 729377 733099 729904 733937 726795 731965 719536 729088 727500 732032 729194 722953 735161 732974 725951 724617 728316 618204 618401 638321 666854 696149 694629 745020 751218 650114 647140 679550 683246 750900 784283 657554 722816 785946 574226 748598 827255 947422 799573 718996 957135 975956 810360 795007 799636 835421 893667 734144 770698 799171 710394 754313 799157 835847 781639 716860 674016 865896 881415 717839 822568 877842 747638 880158 714654 725084 647659 722268 814525 765857 873225 623595 789469 774862 714860 791418 760906 687598 637962 867936 824561 712991 735955 735637 769776 739765 656279 783680 780726 874357 771741 704127 765282 888312 807576 736017 753213 785042 731853 693871 735790 734341 785294 944159 708223 760674 394815 393503 4291 698721 742522 730615 811055 768215 761753 751999 710368 798763 823544 615203 723717 726812 778617 795953 701052 777542 763265 699631 865137 733340 718403 858032 794355 743470 808684 841149 831979 757039 735099 798549 831743 729637 688695 762380 790231 700551 751905 713858 744268 734381 755962 720613 737169 790207 752278 855515 759909 581730 764897 682393 764513 779179 713528 710695 586034 729389 793357 737363 730438 701732 813674 745148 782621 725399 720462 727699 821003 599492 723014 762786 587416 780448 634188 728016 703014 656633 691695 861811 947184 840346 826366 700122 853486 1021132 839572 665823 957072 820519 761451 738215 696236 766898 867083 724244 799373 662645 584943 945961 674605 854618 686385 769957 891464 759495 2-piperidinone 1328667 1255951 1271965 1231132 1369541 1335799 1245644 1265224 1319909 1617816 1266020 1234826 938292 937134 877860 890797 771122 722977 611564 601481 1122495 886215 676753 679128 1254274 1261056 1296444 1301123 1353718 10026 1304899 1306906 1487978 1402079 1449618 1301939 1322028 1304084 1320487 1311337 1289608 1288271 1270135 1312931 1334679 1286763 1297745 1348678 1299524 1288613 1315329 11883 1444403 1302770 1281605 1303054 1302968 1343779 1341538 2338711 2332011 2039536 1942610 2250686 2273163 1855068 1865475 1853992 1792992 1712289 1462774 24935 47571 8450 630393 1211052 1866833 2672711 2293081 1098998 1327737 38322 39112 1498567 3347529 1692433 9951 2372914 3849021 26959 11374 779869 28862 8265960 3903308 3803335 70985 22784 8017 1675372 1751301 658524 195344 12937 7242 29964 75681 16373 1048135 27439 2300294 1797760 13575 26644 924328 25151 33285 3595199 12679 58827 355952 462695 12951 1636319 1795026 453735 954562 348070 344680 4643253 851483 456982 1481686 1610271 269804 237499 1537789 1076212 1178086 738864 819547 2433560 1744232 446881 1022568 198462 1378554 865067 10857 17849 12124 911445 1223599 1809610 1237076 336100 1244949 841271 1895880 709482 1410873 251215 1433326 4696473 242158 841633 1985293 1007879 3656524 577164 1386605 894739 307063 1373295 2098944 2527643 605770 2482379 508900 148201 706262 1350513 1245902 1750126 164596 950745 1600228 2176476 39290 537901 482530 95576 770300 59584 258848 2382179 188058 17228 2531220 1650128 1332368 954817 3289405 3196334 39224 758141 1913751 774425 19861 512965 228959 1928019 1136853 1011044 1963178 1858428 29118 2143017 565128 2798220 1307460 194557 1249642 455320 49252 1273035 1144344 2280630 42815 427218 1770333 903680 1443823 9724 639742 903696 2338182 446577 3715669 170868 1213909 1083851 184133 1249355 4992989 907563 14597 7873897 363299 1088845 4564496 379968 5191279 27666 62873 364083 3-hydroxyphenyl-valerate 16222 20242 17763 19074 18177 16620 19702 15932 19989 17684 16880 19091 37453 41215 34003 30759 41434 41806 23925 20371 39996 46228 27247 46076 20656 17849 15531 18818 14458 21227 17891 16930 16754 19418 19074 17923 18084 17738 17211 16661 17876 17920 18578 18493 17189 17864 17740 17607 18441 17156 17014 18960 21030 17941 17799 17770 19265 18157 17010 28943 19638 15366 14413 24217 25764 16373 23886 35406 35236 29144 25135 19964 19672 139583 16123 11502 24549 19431 11523 11775 12146 18050 44545 15930 14510 24836 24693 14407 18490 17175 18968 9945 26998 28983 26746 16039 11420 18967 15707 17121 15713 12617 21787 14361 10006 17943 14113 19049 13330 16369 17666 19596 18351 19361 15866 15557 14942 10025 16257 15190 32187 12534 15245 18899 24058 16069 14334 23693 21343 15727 41471 17853 56264 23651 17275 20005 23309 37086 21260 16804 16175 25146 10375 43145 67313 24388 7866 18231 11244 9284 14190 15957 16762 12576 17212 23141 12173 12863 17383 11790 23650 17504 20147 17664 14414 17447 18710 13800 24464 16590 12881 74737 25600 23084 15634 14839 15659 15232 11143 14974 21185 9509 14259 18730 15963 17827 16571 25274 16884 10447 10881 32593 14866 14932 12622 14837 11584 11474 14458 15903 17438 14327 15786 14409 17665 20194 8621 13220 18250 21321 11036 20176 27988 25240 17111 16762 13001 34324 8256 23126 21025 18598 22482 15370 9944 21288 20931 20488 19152 20510 14808 26440 12098 11326 7900 40500 20810 13601 14407 12056 13100 14363 24437 32697 16295 19490 20347 17792 17367 30594 33168 29084 22222 13739 19097 21651 3-indolepropionate 27436 27892 26630 26903 26760 27709 25994 24723 26586 26286 27233 26850 57635 51455 39647 36815 46646 45873 33795 31332 62635 65278 37015 37005 26332 27465 29227 26916 26212 26851 26632 26581 27468 27209 26429 28420 27090 27757 26759 26892 27047 26531 27349 26927 27181 26610 26596 26982 28083 27633 26886 26405 26783 28032 25289 27262 26564 26932 27611 37403 35523 28799 26608 31190 30183 26475 24412 38543 40935 26565 26287 55466 14374 47109 28006 31702 8908 46825 84537 13350 65445 57832 53429 17831 14062 14132 21720 24009 3274 28201 31090 24918 39444 27008 21743 27013 14487 13899 63878 62161 43852 29230 118201 57143 24814 23447 46784 34054 24893 17930 22309 26618 54172 36113 42647 17399 19385 12938 19561 18250 20493 14574 14677 56497 94180 26107 24819 20552 30024 29121 34219 20570 71365 97284 30394 24410 39022 31946 51084 25985 17626 32049 16230 22025 53702 25440 85687 42263 640 1026 1068 31816 13477 20657 20014 16611 29466 38868 19760 15197 38811 60511 34437 49807 34058 27086 33214 16231 9645 15922 39209 15254 64718 15668 33993 54898 22744 19633 83341 20439 14801 25835 36065 10902 12155 41570 21003 20597 30331 20856 43238 34431 58529 26908 29021 25025 110408 23678 29680 45978 9802 16514 31054 11723 27321 69868 33291 36189 34395 35789 31529 22069 15302 11876 33258 14815 4925 59019 9331 13461 25728 15015 33216 64377 22794 54763 19539 27179 8158 41683 21379 15130 50425 36912 18099 30396 19625 40443 34099 12955 14319 20644 39449 32502 34782 13578 28977 14831 23033 15285 22556 18056 38610 28103 47616 16960 5-hydroxymethyluracil 44365 45006 43976 46820 45539 42770 46548 43067 45810 43187 44394 44796 41307 43007 37823 37798 46315 47289 38512 42583 45891 44302 37010 38667 44778 45047 44859 43652 45803 44962 44246 44373 45230 44889 43312 45794 44453 44952 45215 44914 44468 44171 45973 43596 45921 44834 43815 44670 45535 45032 44342 43348 45628 43968 44452 44951 46391 46150 45394 43619 45747 45475 41939 41378 41306 30366 31998 38469 38147 29096 29303 40857 48100 37371 43182 39520 30898 33660 45383 49895 41108 45659 37809 40196 36672 35470 43063 39746 37693 49874 55462 41348 37810 32956 38616 42721 40594 45340 35427 47399 52082 36998 37583 46451 40012 46357 48413 36355 36937 32388 44432 43777 44764 41501 35443 39947 34544 40773 42515 32449 38453 45437 45858 30858 34420 46060 42424 44718 35553 37214 35457 38938 44248 41683 39307 43144 48623 42512 55356 36529 32156 35562 35781 38878 42981 63543 37754 32039 4224 3904 5057 51331 47122 39501 47375 53513 37175 46760 43014 38691 43217 35810 42467 34748 59224 37246 43171 37578 46459 36843 60061 40301 47489 52991 34308 39626 37171 40745 43103 46804 32148 46070 39865 39254 38966 59620 43633 36674 30194 33735 46066 48235 39008 46074 40646 50480 43841 43711 48921 35157 42979 43359 35551 43765 37032 45361 34780 59736 32061 48519 40885 38712 45086 50444 46829 36927 44596 41881 39663 33471 43651 45910 40703 41230 39135 38204 34750 33128 41260 40072 43103 45025 40017 32101 44551 38446 43350 33062 41968 40224 40815 42038 36167 35041 46832 49580 32427 34174 32495 44850 44182 47802 47141 38471 50919 37286 5'-methylthioadenosine 5904 5766 5646 5656 5885 5833 5463 5612 6021 5643 5659 5367 2323 2533 2326 2200 3595 4491 3117 3591 3833 3437 3383 3872 5623 5687 5546 5465 5731 5573 5579 5810 5670 5354 5541 5577 5557 6013 5382 5608 5703 5691 5989 5602 5439 5807 5706 5487 5644 5659 5611 5675 5756 5811 5699 5568 5617 5783 5584 2023 1676 1617 1737 3011 3843 3426 3281 4488 3766 3993 4173 6813 8461 9008 6037 7766 6271 7471 8201 15239 8964 12417 8271 10747 11938 8033 8457 9279 13156 10318 8519 9736 9740 9400 7527 3796 7792 10239 10138 8563 6305 6700 11789 6536 7805 5627 8173 8707 9578 5231 9928 5838 7586 7913 9543 9288 9194 8993 6480 5784 6980 12033 4133 11023 10921 14439 9382 6196 10468 6074 13955 5750 9243 7938 8062 11631 8084 6618 7236 3870 10506 8230 4915 10526 7648 4361 8721 6390 431 157 247 9662 5187 10849 9605 7863 8762 5734 9011 8526 7035 8315 4538 7194 12034 5610 7262 4036 13625 11761 4616 10003 11793 6264 7210 8118 7980 12028 8333 8411 7734 7230 10408 5150 6866 4936 4958 11798 7799 9352 6189 6312 9777 6783 9474 11745 10132 8600 5106 7925 7489 7659 6173 7708 9206 5921 9942 5721 8175 9609 8853 7914 9935 6444 7091 7676 9656 7952 11989 9070 8173 6002 6305 12915 6763 6622 6399 9005 5170 11858 6253 6715 8756 6313 7504 8718 10376 6589 10701 10925 9099 4807 9728 8658 9710 3111 7579 7188 10381 7634 6550 13648 10705 10598 14097 6666 acetaminophen 19761 18767 18791 17917 17900 18066 17496 15051 19296 18046 17749 17759 218334 209424 142039 148052 192792 184215 128457 128487 373073 366497 220516 222197 17713 18311 17959 18607 17914 18053 17382 17856 16625 18289 17326 18942 18180 18562 17606 17925 18675 18001 17892 18011 17592 18629 18065 17573 18615 17898 17759 17623 18073 18328 18343 18081 17966 18178 16217 315323 295815 211924 200005 272395 285848 172327 190097 474710 479942 301991 303867 5822 7072 2900 2953 2250 3689 3736 2363 2541 4677 4003 4904 4860 2734 4050 3764 4729 2271 103318 4158 1846 3162 4672 4243 2608 4913 8939 4146 3011 5215 2598 5023 2202 2705 4090 5425 2899 3797 3647 3463 3398 4845 5274 3780 5273 3626 4176 5154 552743 3644 8765 2910 4071 3632 3423 4600 4130 4183 5315 2496 3520 2255 3736 3875 6590 3204 2101 3214 4533 5002 3817 3397 4227 3300 7211 2375 5385 820 575 1269 6802 2047 4241 3614 3897 3181 4426 3350 3958 3147 10917 2581 2918 4490 4234 3778 2868 3733 4318 4468 3441 2677 2586 3259 366016 2188 12071 3443 3822 3071 4451 4249 4120 4626 7729 2482 6306 3662 3058 4029 5541 3270 3803 2844 5238 2853 8039 5722 3697 4027 5265 3105 3915 3220 3410 3516 1712 2299 4293 3299 1814 4671 2866 4434 4096 3051 3487 2693 2011 2181 3028 4901 117669 3772 867201 3343 4392 747759 4281 6061 4477 436522 7383 2281 2812 2973 3032 3775 3419 4918 1534 2939 4648 4310 4443 3191 3496 2432 2391 4552 3487 6136 4180 10040 3683 adipate 968596 976679 975291 972244 987406 981525 963684 936434 980228 972790 969322 964960 943892 944587 968220 958566 1034088 1040935 1024293 1020230 1057677 1055704 1061885 1055045 982496 977230 971007 974001 972589 977170 975019 975186 980501 982497 972416 984304 964344 982813 974091 976541 977521 975699 985741 972788 974506 972181 971144 975572 976528 976876 977309 979197 974633 973005 975935 970937 974223 973238 977355 852741 849565 883829 900421 958497 947762 966843 958872 918042 902513 928882 913994 1006714 1040370 892858 963638 1048502 779465 1001462 1097842 1235960 1050627 958974 1275561 1261199 1069438 1060613 1056182 1109925 1157529 1017315 1025918 1046323 959015 1016450 1069421 1106783 1030282 992301 913397 1148659 1161025 957437 1088682 1151536 1003862 1155603 1003522 971874 872264 989502 1083125 1018107 1180785 840475 1044483 1039316 980242 1060224 1014125 921881 850807 1145840 1079522 967377 1015763 976852 1056731 997414 904617 1086993 1068101 1160513 1067514 963037 1009657 1183374 1112187 982091 1042264 1026290 1005758 939435 979005 1006637 1101790 1271141 989319 1035963 453441 438682 5743 961413 983265 1004653 1112058 1052577 1048999 1002755 966882 1088423 1107883 861890 973783 999384 1090467 1115491 964874 1075197 1078982 987107 1149281 968508 999809 1152815 1100971 1043548 1095101 1152838 1132975 1063520 989570 1072636 1145978 976636 917734 1038404 1083631 963721 1031767 958376 1004536 1005084 1003889 980487 1013303 1065064 1032759 1173715 1042955 801665 1069259 946631 1069166 1086166 959064 966564 819801 977177 1078516 998941 971697 950857 1120131 1014944 1083556 977993 967331 970841 1104583 844228 973190 1023618 805659 1065285 861177 972713 980739 875704 947286 1183538 1274106 1117879 1126766 936053 1158447 1330048 1121672 905585 1260162 1101855 1012520 995016 918209 1017690 1184924 974907 1073088 901069 772378 1244233 905972 1148972 934842 1022320 1217589 1007187 Ala-Leu 6943 5637 5601 5375 6646 5871 5756 5559 5262 5516 5313 5561 7481 7954 6520 5135 20252 22034 19063 17246 5431 4632 4097 3680 5821 5686 5750 5658 5771 5695 5691 5783 5040 5788 5252 6254 5095 5625 5649 5420 5737 5598 6116 5765 5107 5523 5978 6153 6224 5181 6141 5733 5690 5902 5696 5545 6116 5176 6087 11785 10824 8371 8013 41519 37142 29818 33864 7763 7463 7203 6285 1685 5842 3819 3908 4219 3305 5692 4500 8942 4079 3564 5695 4192 11618 4877 3464 6052 6594 4996 5364 3054 7339 7630 3425 4357 4521 11582 6043 8476 3434 5018 11086 3873 5671 2636 3799 7918 8835 2242 2762 7628 6242 7350 7150 10213 7828 5143 4396 1737 6301 3759 3129 6486 7948 11363 6860 3099 6702 1745 8067 2347 7232 2599 2388 7423 2755 7606 2705 2332 4987 5238 2172 6675 3092 3221 4129 4544 448 609 1028 5122 5337 19205 4454 4157 5764 6419 6931 4158 5060 9372 8069 4707 4178 4271 4169 3907 3641 7529 4552 6446 17090 4345 3555 5463 4239 4789 4009 4626 3739 383 2669 9214 3511 2420 8840 8343 6122 5882 6108 8609 5276 14692 9633 5533 10766 3731 3326 5500 3517 3313 24073 14192 4237 14673 10255 2757 904 27075 13163 10352 13858 1211 6152 27765 4497 32984 13036 4582 8485 9604 12181 10337 7193 18614 12916 16985 10227 1500 6615 4860 1625 918 1329 610 2101 1317 3264 3245 2160 860 707 451 5350 970 2095 1299 12368 4515 5999 12027 7819 3966 6025 12370 alanine 7468 7148 7214 6953 7288 7650 7342 7009 7207 7189 7430 7527 6635 7452 5715 5429 6767 6466 5870 5791 9115 9701 6605 7686 7320 7467 7806 7140 7424 7384 7375 7280 7279 7375 6749 6982 7504 8442 7323 7132 6902 7520 7678 7412 7353 7438 7222 8045 7708 7013 7414 7037 7212 7616 6936 7297 7397 7581 7222 7005 7357 5635 4926 7175 7336 6503 6897 5439 8196 6426 5879 8850 8958 6573 9218 6694 5447 6246 11671 7233 9144 5698 10693 11106 8072 7406 8621 8175 14631 16814 11333 10234 6219 9760 13131 11538 7533 3980 9546 8201 6983 4669 10881 5795 8606 9571 9536 9888 5160 7764 7907 10538 6454 5525 5332 7236 12007 9212 8281 4411 6040 11356 9786 6381 6375 10064 8289 5502 5551 9298 10318 8487 8227 7772 7321 11050 8858 8280 8454 9062 6852 16357 9337 12093 6605 8047 7813 8750 231 534 477 5175 8022 7695 8392 11062 8396 7404 8047 7589 6575 5895 9015 3959 7285 7586 4377 8867 9681 10285 10922 6956 9150 11655 8548 10716 9347 10896 8595 11777 10325 8324 5667 9714 8341 8407 5697 11244 11428 8047 6246 4643 10015 6803 5981 8930 20391 11026 9578 9766 7638 9566 9306 10088 11542 6589 7583 13171 7011 7410 5474 7618 4874 12716 11082 8977 11664 7577 14871 9043 9378 7656 9880 10262 6657 5287 7686 5362 5885 6779 8117 9164 7972 4456 4084 7460 7535 6227 8559 10308 10772 6805 7373 9513 13056 7289 3744 5653 8602 13138 5132 9229 6649 14727 5245 9434 alpha-tocopherol 26524 22842 17198 17801 20320 22995 22732 23612 21079 22511 22631 24431 56346 4379 27865 20202 18235 19069 16506 16704 20228 19052 17299 18268 23600 24746 25584 23490 22568 23029 23125 22850 22718 24118 24286 23018 24310 22948 23840 23251 23123 23031 23414 23252 23016 22172 24303 23436 22542 23794 22875 23047 23112 22241 23455 23818 23375 22926 23107 4379 4379 348527 4379 15731 17309 17681 19076 16402 17064 17581 18046 65300 4379 4379 4379 25382 111423 24974 4379 4379 4379 4379 18392 183390 10526 22231 42798 91223 21962 24476 28661 20487 50010 29812 17284 4379 58952 175854 28384 4379 85547 4379 4379 17433 30253 48254 31291 23964 4379 4379 212645 66499 37743 128894 48511 81387 4379 20005 4379 4379 35360 89556 4379 19996 41264 17931 25283 19837 31814 26107 25822 4379 46936 21267 19272 20171 17615 164957 23604 61387 27567 38446 383467 21790 30250 30389 35246 47802 11297 8783 19493 20291 517629 30081 14615 25585 44037 15185 18645 27520 28991 62370 4379 38855 26087 28571 86937 22956 16612 28755 36255 19391 22710 16554 29760 25759 44320 20140 28220 34865 33619 31580 24725 37433 23380 58445 39297 51431 26139 11836 16660 14603 16277 19433 54471 24650 24881 21371 29974 28153 17487 30615 42415 36315 22077 29215 30588 27946 31593 24168 19309 35666 37534 20971 22681 28816 12890 25983 32560 23242 32220 20989 28051 15452 27744 54064 23028 21461 25166 31628 38802 22353 32453 23431 31082 18473 21618 33481 19882 28381 46994 36366 26953 33451 13291 18799 16243 33943 20273 20187 17726 34542 41851 35210 34140 24520 aminobutyrate 9998 9862 10352 8902 10394 9792 9811 10117 10157 9652 9731 10352 27995 30737 34097 31210 40203 40717 44767 44756 57105 58900 65652 68270 8797 8349 11010 9773 10184 10161 10412 9358 9616 10056 10229 9983 9855 10700 10235 10115 9654 9877 9862 10112 9541 9709 10343 9481 10039 9925 9935 10007 9699 10071 10034 9689 10013 9576 9334 30238 26223 33547 29735 38865 37800 45513 49128 57969 57361 60971 63560 6109 7812 11777 7526 8156 10003 9632 8163 11352 9689 6192 9625 11321 5437 4476 9433 7454 7376 10697 7484 7204 7783 9729 8872 6991 7569 8636 8034 8262 9959 5058 8337 7557 6427 7774 10323 10585 5269 9028 7445 9433 6317 5480 6068 9125 8901 4700 3289 5279 7998 6950 7144 7217 6728 10071 9675 5187 9803 11092 8677 6018 8073 7905 8265 7250 10594 7287 6746 8054 9124 6617 9017 9441 8685 4923 9321 9745 74 466 249 8897 5390 9999 10132 10873 8966 7969 7157 7570 6754 6369 5899 10985 7556 4406 9362 7513 8362 9437 4405 11433 10294 7114 7896 7018 6928 8591 7126 10943 8813 9576 6886 2897 7716 3855 8453 10068 8113 7133 9618 9280 6673 6364 5340 5901 4841 13978 9919 7703 7282 7386 6942 9239 8044 8098 9736 8648 11331 8015 5686 9056 5785 7147 8006 5250 7608 7884 6624 7472 8437 7311 7289 7968 8859 8203 5980 8786 7937 7755 5979 7873 4744 10589 5608 8521 8689 5712 9726 9360 11025 6148 12355 8251 5956 6529 5725 6728 4734 4899 4897 7596 5783 8780 8779 7233 aspartate-13C4 43740 48160 44079 44829 42918 46002 43123 45799 43947 44893 48815 42750 137338 127670 121032 130605 189299 216334 171920 121228 177981 183053 153016 136880 44846 48097 43788 44403 39731 44678 44722 47346 45315 45460 45574 44566 48130 47229 44450 43182 44388 44416 45109 44828 47475 44847 45155 44741 49843 43208 50465 44194 43320 44554 47476 49076 46239 44782 47509 59372 56051 46302 51315 83342 88868 62912 68473 72927 88992 62020 62243 116021 45492 60304 28940 42957 48440 20490 42326 68683 29373 63061 805500 30614 80081 46589 55135 47432 43852 49991 30753 50058 33294 40727 35977 37783 45902 40516 60700 96271 49226 47790 51531 46198 43035 46190 32177 39061 35593 46627 34097 51300 44628 68827 50696 33718 31341 81149 30188 44294 29912 26096 40600 33848 73414 37419 39213 33489 45332 45072 42454 32807 273712 69818 48041 81659 31426 36027 49808 37361 26256 41330 31474 31786 52043 69172 46934 45720 88679 2033 80133 36408 34359 83540 69332 33298 42088 48499 37401 35185 44877 44078 39722 47554 50266 61415 28896 28563 41507 46716 41362 276594 50387 39679 49255 34825 44881 40173 53270 34685 36204 36210 55776 29940 32235 27042 60679 54655 72188 32492 47446 29316 40048 62874 36430 34087 61270 240376 42236 41459 36004 55817 34734 38349 46441 84318 62709 44225 33925 51278 35111 24100 46067 32996 43694 45674 36872 191291 29013 86978 45697 36072 55504 37477 42228 94354 30515 25365 41938 47734 62748 70564 39941 43059 48082 35138 98106 42675 36355 48482 42648 34926 41515 107439 32557 37130 50243 31550 49978 52634 30947 125392 58838 52461 55599 23554 Asp-Leu 10009 9648 9595 7417 7470 10426 9705 7914 9416 9353 9439 9447 7377 7605 3833 4945 7882 9039 6406 5599 10034 9292 9051 9051 9743 10290 8796 9664 9091 9528 9630 9233 9876 9223 9450 9520 10136 8955 10270 9496 8776 9865 9962 9166 9760 9854 9404 9741 10194 9601 9171 9937 9612 9613 9374 9673 10107 9832 9715 7590 7997 8051 8123 8606 8473 12046 12206 9519 9061 9383 9515 11215 7038 6799 6891 10097 8657 8808 9126 5831 8646 6336 8705 8600 10691 20794 8172 10318 6897 11651 7620 13228 8071 4843 10269 16109 9072 8267 9289 6338 15868 12694 11405 10302 11459 9266 9281 9250 4703 12657 10419 10461 17988 7183 8437 11893 9873 30409 8919 12974 8128 8815 13066 7385 9843 9968 8083 7798 9842 8425 8157 8103 5380 12589 6069 6878 8524 13376 15719 8283 8245 11313 8757 8943 11739 4937 5295 11134 407 289 595 11082 9951 7234 10595 10873 7662 8877 8479 11109 9704 8911 6263 11153 10482 17483 15869 11382 6515 12799 8858 6951 9963 15042 11342 13953 6198 10866 6517 11679 13883 8867 9084 12754 10403 11119 12457 7967 7050 10754 7334 5665 5468 4772 6777 10775 9054 8487 8357 6433 9555 10394 4561 5884 10087 7072 10910 7119 5209 9983 5301 3392 8492 10672 8246 6619 13272 5341 9138 5274 9330 10351 11822 10850 10944 4403 6549 5553 8718 11827 15270 29338 8546 7574 8231 8596 11843 10797 1856 10119 7334 7425 6011 7812 8693 10103 4215 2235 7414 9580 8470 8251 8284 9440 12984 10368 azelaate 411406 370182 375607 382915 373830 380494 380156 356763 379418 379234 381493 370252 16810 15848 12782 13856 23479 21357 15850 15885 15642 16597 11011 10123 383525 383741 384779 388397 385252 387525 381194 377498 377751 378985 373281 406119 393427 381455 372704 383917 388620 382743 380005 375487 383082 382653 391052 399316 402579 382575 361617 386669 394454 384098 381534 380678 387060 377139 383294 9668 11051 5243 10755 21008 24001 17981 14772 14216 16263 10777 9509 294519 304566 282630 236541 228159 278208 239109 178693 246082 318940 283534 298391 321587 293034 293407 288009 272419 7125 314118 281359 264471 276740 8258 285002 227189 287239 358891 259394 288460 326930 220957 236373 280980 222729 281535 386984 271539 271743 281851 279313 288238 13148 313140 273933 330059 304437 30343 205648 207788 33874 251142 281973 280643 37207 363169 302579 269368 306279 398282 52355 226400 9508 314421 326764 274084 294848 34957 10934 265659 295557 260895 258520 356489 320298 672974 9999 323789 8103 8079 6966 304139 163552 317992 340256 272662 275432 268866 264872 261787 271364 256620 215722 247304 275084 286981 243146 297612 305733 298003 13441 253252 347154 243312 236924 231772 247202 265257 245499 284057 229903 276331 253993 249780 263393 428581 296253 304608 296275 268607 310702 243286 238062 234928 249309 235802 221721 306331 272954 272270 319918 319517 167288 231542 248257 270937 290466 283175 351356 228366 211139 281616 262548 403740 299380 301767 280155 244919 294541 265505 247932 263860 338691 236892 318619 307020 225518 200897 248347 318512 357256 319925 254729 267542 255892 295422 265065 274259 8332 250049 279952 306405 294896 244435 244354 365526 203184 15652 266819 278635 284178 250998 238025 221277 260141 278651 benzylbutylphthalate 731682 723470 727406 718826 723662 715903 718931 701162 716422 719423 724501 704577 609225 656960 836423 846245 878534 880099 785047 777190 1022601 1011711 802520 815671 709673 717161 718475 741701 748901 725837 718219 735909 722931 707770 722433 769493 743189 739783 722384 698238 716033 744041 733688 720400 722980 716515 749467 771603 734935 721207 700131 710418 723942 726969 724405 722614 728207 722749 708296 611038 676333 757146 773575 931330 910897 708230 717706 1006185 1005303 708994 744496 609956 650729 638466 527500 680793 752711 697653 770141 701716 649076 688537 744967 696042 721248 661176 677592 740751 788053 693150 616576 527328 699169 691165 604675 667069 550118 631749 744814 719548 664588 739849 819298 662206 577819 680850 514659 620180 600559 719407 704957 596773 837111 497885 713758 597126 683666 819687 765968 651602 705005 590335 531089 688999 796790 767695 689584 527684 645161 720720 896667 608710 570309 882174 792598 567623 734638 765179 757066 697943 656130 793762 691224 813777 730640 674479 638684 670388 985559 1096850 1145642 607531 724556 571982 778346 744351 740543 468460 739517 527273 656807 803801 755949 543776 803360 657109 594185 600704 641987 877167 664023 553272 776900 485711 671924 704934 592273 660603 570612 687978 699371 588493 622565 625501 383890 633861 603306 728437 710171 641299 763194 794383 756716 616818 706444 577166 678017 682939 569129 686101 791422 696260 703743 596669 648936 779671 708662 613948 787261 508536 617440 637263 583513 611189 689753 684225 651708 600289 429117 758907 595378 615127 806571 630694 686608 521970 789335 642779 572574 607077 478077 505865 687910 722661 669160 714431 556331 675585 720119 680167 745562 754881 775230 618556 652091 540520 704878 783221 698784 624886 700249 659543 628703 644156 517031 592390 bilirubin 2531528 2711544 2812934 2639735 2987569 2984248 2804439 2417835 2820199 2900531 2799862 2772285 2225495 2479283 2770944 2730982 3402052 3254551 2792943 2838221 4041401 4020933 3731788 3723857 2818914 2816110 2816574 2829086 2856596 2838408 2840568 2816497 2881348 2805432 2848971 2841213 2820569 2798478 2829133 2847533 2821486 2814621 2829990 2814919 2810580 2795812 2757573 2799973 2811212 2797021 2832412 2822884 2832224 2821132 2815289 2833978 2854994 2775062 2756853 686241 676684 614691 604081 3036747 2919767 2503003 2490316 3927605 3799910 3545428 3515735 2088393 1377902 1052517 1672010 2156752 848206 1822255 562064 573999 3336605 91551 1932050 2195596 2757591 1098654 2300018 1103205 881420 1547655 17003541 121054 3591563 1740573 3871250 953356 10046 13604830 1967907 1713404 3216797 2116322 1628828 3899828 877152 2389376 3250257 4131373 2878809 1593144 3040669 2356103 2563558 2924387 1906704 3373783 2394740 705894 947264 2674612 3899955 1104899 1818445 1706378 1869996 2165612 1948819 2431732 2831162 1206427 5118065 3358176 1750005 3258433 3794861 2112889 2728149 950486 2369861 1947528 5200601 2313175 1966279 3109134 1412061 1144610 1129789 1918759 3286186 3275517 3286186 7692504 464923 1307572 2029356 2524161 1246287 1135627 2562403 1244747 1815502 1402503 2634968 866920 1268754 895519 1935528 1203101 1713918 1217460 1291073 2116642 1424697 1726181 1385076 1550215 1868411 1065935 1174045 2921672 1021710 1077589 3375421 1104599 3067101 1186627 1870109 1106349 1290267 1562256 870338 3393062 1377622 1552885 622666 3374608 1348938 3442628 808062 712575 1505854 1450916 1446360 3206150 1879091 813884 364642 1758187 947846 1045810 1960335 3763768 902582 1827019 926520 1776050 2436757 794828 2074280 7284624 2333404 1193930 3493267 695643 882415 4058464 1555857 1080300 1146077 3154706 1525459 2047123 2510496 4202586 2297588 3728567 1589290 4008595 3933125 3476085 2836540 4128473 9372270 682590 2398754 2866270 1408279 2209619 1933789 964541 1843313 986872 1922539 1754266 2859497 1943119 biliverdin 168409 166764 154713 157105 180889 167686 169856 162935 187851 173715 173181 170669 1288011 1250551 1159267 1146833 1005212 976072 752110 761843 1153586 1121869 900974 901008 171563 167768 160932 169776 167730 168597 163462 166706 167255 163753 167864 168919 167855 166079 164255 164645 162622 168861 167998 167695 166041 161506 167299 170733 162157 164496 160183 165651 165895 169043 167684 169779 167301 162933 165522 561020 570906 508897 514605 681120 669077 468397 480634 702585 672517 488662 509091 216491 261574 26024 71402 86923 85246 206904 24578 72165 526486 20139 330488 364752 366630 98096 242038 210831 81616 121762 2219810 11397 990167 219841 608313 22950 10796 2924078 257124 443817 535332 391986 457179 569599 38685 248322 856567 241581 243345 272619 281658 439330 689627 268176 249401 852970 263796 40030 10839 484888 946741 150249 89972 327607 344530 268333 286892 293048 268394 140182 656716 751625 262110 357614 279731 326624 386411 14719 276152 328753 701297 282846 318919 515048 272402 122929 164181 359627 5817 3687 3942 689974 12431 221352 402011 396182 234830 192963 345068 171648 437601 176885 1243782 29799 201067 168438 124526 205021 348923 189149 199785 310044 348954 348531 182665 322113 274567 263303 236281 398210 112227 210086 557007 144064 228583 167221 281958 246635 280532 384623 194048 442201 298670 204327 294164 613518 272001 241375 202163 223425 259681 353041 159891 785410 311961 155226 109805 109276 242985 134011 493408 392657 216421 370512 229175 188128 300356 121108 242225 1390290 378009 206971 397461 206656 186487 207745 174270 226834 269287 231474 148444 173144 249415 244923 256741 316109 198328 254592 270398 165436 153050 302812 360979 110519 326510 402267 242860 184286 306275 163966 263089 175869 401760 399210 427134 191351 bis(2-ethylhexyl)phthalate 1871014 1808703 1106151 1292585 1843102 1839159 1838992 1892802 1932125 1866840 1845525 1857796 6982029 6816499 6346490 6332826 21843570 21132435 24079314 23980014 65426939 63379976 70432693 198382 1844195 1986367 2172799 1842974 1762576 1916853 1883758 1622438 1839157 1845983 1851959 1855394 1818916 1789675 1841884 1821306 1852234 1839265 1866412 1870568 1847077 1954041 1883398 1921268 1828287 1788722 1763737 1847875 1830460 1840933 1844653 1814222 1853401 1863410 1798991 19460384 19870677 15277782 42283558 144888447 143384714 141362570 142312673 479646178 467772841 453426663 454247125 1103681 594932 982789 706182 1176807 1001046 1284384 1082713 1027187 487985 790383 936527 825078 1248577 920504 736663 1214067 1342060 946350 1052461 985964 1075659 1002359 949475 1781844 608007 662740 919317 1080027 864551 1139858 1373343 1327798 977246 926637 568005 867826 478656 976230 982642 635758 1708538 655515 840018 701072 567554 1904579 1366614 1110361 1662523 1023837 1893856 789220 1565016 920124 944988 682557 488472 509165 1388468 1172770 845705 1004030 1131165 635769 1032207 1668995 2172493 1311844 579266 821214 986137 827408 1030201 1497739 892273 736426 800511 969348 578743 1202896 1307673 586966 1034392 1120680 420134 1771158 622064 1137922 1168531 691242 836670 991442 1045253 1020822 1411072 928169 1432406 1040776 4219522 2414975 1178825 1409231 977387 840622 1127885 1263643 706383 1979517 134348 4711248 3494751 636073 1033570 4067882 679509 1015184 1885411 1035919 914225 1051584 1076090 103563 824282 868649 516077 805987 383557 884695 830159 863512 158903 663934 820917 787720 1000135 409225 936618 59656 98127 1241345 873531 865856 1025512 150039 705357 139340 512519 773254 814667 693762 975316 1197123 903714 95088 216350 1291974 802070 2034705 1079673 1073340 2380464 5169814 3388502 5414984 2080312 2619155 8553468 4508778 2336452 2986839 2854741 3438102 2820244 5312842 5544604 5042420 1178809 686611 831157 832354 610239 1248320 403613 871797 caffeine 491362 445881 435525 445699 500383 445382 444079 464675 475164 442921 430746 424926 4977152 5017376 4581995 4539703 4911463 4844193 3841287 3880621 1858384 1844275 1424296 1410051 460153 450687 460070 447415 451212 451284 451035 450502 446502 449899 447720 438373 445816 437101 452558 453490 453577 448689 451712 448475 454475 458340 434567 457954 455738 464052 447708 450913 448080 452310 449184 451648 451570 449487 445770 3097096 3074218 2598851 2535869 2444841 2444338 1893612 1860452 957591 944490 716949 715573 35244 843011 133961 16159 1058698 1076576 152183 140506 3498479 15995 613576 46827 71012 17519 23788 713636 509302 33016 114265 229568 13939 11458 163684 776967 22660 26733 34872 188158 37932 101274 21157 1573102 1295357 99698 54411 1011528 6010039 153273 52227 656667 23161 32674 342477 15796 18785 20622 125615 19609 218010 37532 32558 61025 13587 21329 133516 582165 30689 2046150 217979 43201 40200 124663 139116 1421810 14637 16364 261465 52310 548492 38706 54230 155412 359610 199378 26239 225233 66842 11087 8790 10341 17338 1225504 120531 975383 17078 46802 16135 234923 93527 107054 15741 90918 1729836 33333 16402 17885 27335 90952 15882 627040 411404 4216199 146782 212248 16290 182940 86004 39026 60004 126654 13741 109861 103096 15362 132922 55346 175510 969365 185969 158720 10863 214908 267895 116644 140137 23301 3601413 63227 427259 12194 31964 207327 79559 29345 418975 227700 6678 217998 21853 251094 308142 355117 9563 53586 850620 137971 293258 149814 13678 30119 58474 958820 1066118 13401 56806 361903 15839 1420799 12086 281224 481724 99640 1310882 50731 17429 18409 58396 80714 279386 182213 72108 37317 58791 62153 136611 129788 10838 268767 133876 16609 63145 252210 2769857 715397 95822 Car(10:1) 247529 246632 243830 243120 239704 244626 222019 178007 255000 239874 236329 228598 900379 979866 1047247 994314 521273 513374 345623 354536 595255 586606 363883 368243 242743 240948 246113 245810 240033 244764 243661 246780 232388 245941 241881 259037 255693 247005 243398 245865 236917 238707 240236 239345 252291 244094 247832 252863 250442 244009 239411 246656 243482 254978 242437 246741 251601 227177 221336 387108 377092 388648 386686 412168 408463 213587 213223 495784 481603 227043 243466 388962 552097 431143 331904 539275 418521 486710 364894 583323 977387 434258 468908 461573 388688 363908 307534 338975 451036 970355 472812 287344 688501 1293186 390660 385625 687377 1050191 674848 425707 723113 581179 533699 456466 340897 505356 785126 1066787 485396 399750 648624 863927 322066 831493 652382 550648 709537 443127 334399 668991 757982 1222091 633052 549219 328890 921064 763358 605257 581632 502119 795749 923141 368388 551701 865404 713086 1650022 678486 776787 606805 575052 718500 358253 741930 413919 410854 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37902 85318 122697 90604 83633 50927 87231 52173 98229 58325 40809 88977 34920 82679 42713 139618 135007 112471 84123 103742 114507 66527 90218 49448 84790 47759 102068 46325 94027 85741 39359 107195 143559 42056 30508 121143 120637 123880 199965 178229 72365 107891 84343 119741 56219 70093 96006 43075 32334 205074 101337 156682 155132 182354 55337 273194 41772 18253 47999 58452 87273 48953 169868 149913 Car(12:0) 152022 182020 159948 170009 155159 166337 171833 120167 165830 161346 166345 161248 347197 389547 422352 412922 421174 410959 259722 259704 397672 387364 268857 263260 167466 160267 167272 160301 165747 154064 168549 139106 158015 166310 163620 179750 167129 159550 159064 160987 163504 162691 161691 159445 162229 167837 153635 171829 168580 162014 157935 159315 165135 161866 161906 165475 163565 151759 154557 135638 130871 148490 145328 331591 316960 166387 171488 315610 322096 156564 166046 252105 183752 112002 123786 192327 272076 304414 132283 191572 771189 159286 249256 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Car(14:2) 81948 76967 81431 75779 77902 81016 74053 48830 83680 80123 81054 83529 137204 136204 135937 136363 202884 194309 108985 106220 266594 258175 135860 133038 82355 80357 79535 79272 79883 79364 79935 80342 80619 79789 79062 89544 84191 79546 73822 82900 80271 77376 79001 77956 80864 80502 81720 87351 78508 79380 79695 80433 77049 84689 78870 81020 77140 60368 75760 142967 145221 136590 135376 160951 154899 60188 63620 213907 208112 71649 83140 207023 180739 193943 253277 142593 176984 186878 142735 183369 158748 167745 194118 164694 199739 155088 191197 173030 140099 190654 177023 142225 172900 182426 235141 173910 178082 176244 176558 189308 184652 134781 141342 173625 168831 177650 249380 164724 164524 162185 166622 185585 159393 199976 146519 185499 160144 141658 134272 146468 194415 171758 159846 148670 136240 356550 228869 281305 232058 149389 347116 170449 50608 268119 712838 239617 407834 138090 265000 144550 170970 168977 145800 167622 109044 199307 105368 135292 4113 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315442 286174 213133 258813 245855 249752 239813 339750 319524 489992 368756 348972 185227 236801 257431 235418 236632 190750 300599 291241 Car(16:3) 570545 556982 551536 572723 549030 567961 552641 565762 549734 562267 556540 563956 773864 747975 775818 750518 790933 785831 735655 738743 755061 770441 733042 743438 592894 564844 558514 560361 562113 559051 556653 566718 563350 562633 571021 573981 557200 553832 558155 562319 554148 575810 564544 563664 565475 570785 556857 580748 567093 570159 562452 560408 563465 561530 564253 557528 562518 566319 564144 311295 342606 338064 248976 705367 692840 627509 625901 758801 751827 603831 640272 275687 585276 471571 306999 365513 334823 377197 543057 396992 559485 479237 671604 307814 722171 294053 506865 393778 292756 428526 348012 387892 286974 364900 365160 441494 579208 747368 495790 469138 1651070 394445 491001 398708 427012 792698 272321 408462 601088 308109 398630 350602 334658 307641 644611 406017 786172 622947 395496 430089 291083 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131103 110402 175334 67060 222500 125271 284149 168250 184788 194047 130282 144008 165252 115660 154145 245910 118599 141428 203845 202122 135135 191996 223144 174968 174350 145790 83847 296689 182190 141129 254594 216824 274281 181310 90793 81085 186036 206095 163200 145607 256253 204053 2650 4172 3298 183309 179197 121141 120306 206797 205480 191397 178100 184983 174617 107445 127367 216740 222598 152335 191869 181829 179827 135245 171831 102134 171753 160944 218454 193198 178821 124449 180369 97802 160073 178001 176135 228983 184783 103479 220690 241506 134023 70218 132072 119820 152496 113893 107779 166085 147589 152554 156051 153933 216703 42690 184753 231236 68174 101943 118148 209330 141620 170418 112549 145158 186215 193430 221715 152211 109668 127380 217188 129390 177025 187565 136125 202211 118648 183611 62279 75440 152344 141098 223935 131009 132328 176451 281380 275299 212953 243222 150814 187614 147711 179492 241577 195295 148226 244924 358366 177892 99937 49382 132021 155517 154757 198053 272023 119930 cortisone@7.71 24830 25616 24781 24653 25808 24197 24634 23812 22558 23953 25664 24955 3948 4195 4425 3778 10731 2272 2718 10866 9123 7836 4616 7840 25929 24358 24673 25812 25328 23195 25924 24283 24724 24998 25226 24209 24895 24512 25355 24314 25275 24837 24803 25628 25180 25094 24606 25101 24216 24603 25338 24166 25299 24331 24637 24858 25257 24782 25665 4316 3056 5223 5626 9841 10984 3674 11429 9647 13574 10962 9672 34876 26438 33316 39137 20499 27464 21934 18745 27009 26454 22298 25208 23628 26384 24707 27415 23685 22072 27177 26176 21325 25277 26320 34275 22483 25375 17388 23152 29559 22266 22159 20769 23887 28499 24900 36707 27396 22766 23392 25215 27348 5801 2714 19604 24292 23407 19466 23182 18426 2864 23621 25445 19516 13729 22233 29583 23443 23132 30995 17230 24417 16479 21613 21505 27013 22117 22154 17080 16985 35161 21287 20813 23790 23622 30523 18418 24681 9037 9037 10811 27488 22560 39515 24444 22605 24914 34982 25478 21379 23442 29874 21487 29504 21572 27562 27817 27059 21484 26161 34465 24754 33049 28801 23443 28031 40493 25072 28814 25117 22926 38428 38090 32534 30452 31781 22129 17647 22376 22561 24704 24132 19112 16488 25099 24846 20814 23961 41446 16957 22877 19938 15126 20943 25086 20271 24357 30242 17691 20509 18585 18341 19170 22465 24343 19754 24025 21861 19508 22326 19023 21997 17726 20076 19478 20399 15647 15178 19113 38688 37507 31363 27803 36371 32317 28884 45751 33371 24357 36430 29814 24229 22324 34292 30563 48535 38597 30405 20093 27699 20494 28340 23576 23287 24798 25412 creatine 176418 176328 179711 173899 185069 183148 175873 166104 180614 179431 179136 178799 1593281 1632701 1901567 1920256 1683226 1676264 2028332 1953191 2229115 2052548 2304662 2358775 183887 184094 178823 181045 181937 178578 182141 180370 180897 177370 181495 188517 179444 180406 180302 181262 177580 179779 181960 176068 177359 182327 177952 184857 185826 177400 180960 181857 177072 180802 181241 178759 182124 176161 179468 1756364 1874804 1978147 2047928 1826428 1898696 2366707 2422280 2582453 2586215 2773191 2905520 208537 240936 174079 209702 188671 160328 165838 254353 172040 252038 125522 294344 267205 219147 208905 227153 254651 368309 480699 296537 248610 181121 262704 345586 315866 169058 104025 229290 197109 171971 114502 269977 137471 233018 270583 237882 255250 127730 187011 185572 330971 150326 133033 131437 218769 360351 225562 194733 124589 136169 272144 255013 141795 162913 256659 241989 151253 132893 236322 242162 212436 212660 146862 193513 323200 235239 192333 235257 253938 189039 438100 221498 352437 147400 226022 130767 235768 1361 941 1600 125616 202584 216504 213620 279204 218526 186717 207740 179370 182784 124502 221798 114841 169636 214654 100994 216319 243877 289448 331850 140511 228299 293142 198913 339485 230588 257565 215044 284849 224769 205958 119139 262181 216212 211612 127015 314492 293716 187577 140098 118404 262719 193919 141102 232011 575917 273853 245937 238391 190078 237121 225759 228696 270772 170349 168052 309438 170637 184559 106534 165594 118684 355852 282680 262363 282782 142627 445689 292801 227253 164356 251298 222464 158032 111158 172401 91527 144893 163449 250480 254658 162616 98237 103372 179996 211562 189793 260665 227096 191920 146904 133755 221648 310485 210345 139440 131458 238652 350196 113349 186315 124143 447528 95587 219717 deoxycholate 675623 656105 645620 665297 687524 662157 645612 646532 661993 666082 660447 669928 755058 740406 682157 733941 852170 880553 898518 894372 795446 798434 776180 794801 665912 667497 665839 662075 666015 664306 661208 653620 668096 649634 659717 664662 671197 666495 670094 660755 664418 671799 664941 663148 667019 664662 667961 676994 662451 665480 656302 668191 668034 663851 665028 664576 664561 666030 662905 582777 533432 525936 491549 788500 788439 761190 842556 720248 742171 672399 690948 58497 174482 1043755 422968 178653 315435 274977 1143028 116349 106964 206862 513444 444558 1898315 125886 1178224 222467 76156 220462 269571 708613 132602 127502 741379 797378 550148 343887 178837 327167 5365538 257648 299721 545167 940807 362521 233078 128790 1503508 118285 267237 358842 111387 280373 593572 84162 669868 957430 253048 418375 98767 178926 841775 575388 388512 412464 180126 390519 265094 384442 249710 588233 157939 970333 221036 365900 259860 540289 122947 549817 113547 317784 403886 190843 528399 1313143 1036921 901444 42626 36726 77706 66196 145428 481366 466578 383876 894370 196956 415216 641931 99191 349204 173566 801162 135314 1625127 118113 215026 1477343 122177 183119 1038485 152899 343675 589111 221413 292410 1005886 558216 457233 413142 375517 1039510 163481 95806 106018 909336 391916 314194 141968 395971 63033 239214 658271 537276 131227 264429 383070 283076 149836 309887 247592 231447 517164 85416 95377 355347 696922 95834 185085 268787 588236 388054 63146 185699 630102 220903 367158 107102 464554 77436 81462 597334 379998 288022 282086 140220 79254 324509 1033658 5060857 1295126 236335 2791888 381370 737824 1374272 1077455 92294 2732757 447561 257631 680730 808569 215867 109362 155294 502972 74486 726346 163530 505938 97662 86080 634592 347138 deoxyguanosine 14919 14325 14007 13417 14824 14269 13226 12097 13475 13827 14287 13078 14307 14318 11093 10942 15810 15480 13647 12637 19090 20809 17317 14583 13438 14021 14211 14182 13936 13716 14440 14322 13337 14151 13937 14754 14340 13601 14043 14045 13953 13916 13619 14086 14964 13796 13985 13940 14383 14101 14572 13831 13535 13727 14132 14220 13966 14062 14451 12529 12936 10929 9615 15358 15886 13467 12495 17684 15107 13999 14350 10512 15750 7380 8994 10745 6764 14831 10995 18603 14795 9674 18550 22317 17537 7167 15372 13441 12151 14013 41797 9315 13982 9390 11799 7851 7861 13434 17131 17265 13876 8635 15070 11446 11727 19040 20165 13365 5866 3324 14727 11514 15085 7790 10203 11085 10807 10738 11651 8110 29771 18274 13460 11255 13286 18565 13764 14012 8138 12438 10495 15114 11920 14427 17101 17462 27202 16027 11294 13144 7218 9073 11054 15049 10835 20966 6375 7437 74 14064 13657 32439 13796 10549 16317 25656 8107 23406 10935 12397 12531 6559 14622 9511 10636 12828 18656 8968 20418 10419 16919 11077 22898 17819 8910 11391 5785 15212 15512 16634 10048 18381 12037 20150 24786 17020 9036 11310 9286 8703 12732 10844 9554 10248 6768 15434 10130 14625 11679 8468 12871 11493 6667 11954 10092 11615 7449 19220 13488 15437 10668 10045 11456 15059 11651 11142 8475 12455 26028 11395 18695 14322 7357 12220 17027 8840 6225 24131 20375 10158 17954 17603 8925 11573 12616 26221 13520 5962 18425 13116 10915 10068 10177 19437 21910 47454 17234 12385 8281 12773 46464 14438 4067 9304 19782 15861 DG(32:0) 876468 778529 709473 792544 806754 851364 842938 900045 842151 837554 853753 851719 1739233 1714544 1687247 1629202 2829047 2730991 2460041 2576914 2367533 2288825 2092312 2156323 912354 859011 858590 815181 796370 844154 866640 844460 844655 833812 861511 845251 850132 838074 843864 840452 855677 836086 871940 842166 832804 850354 856305 830255 851633 849519 821416 843389 845871 840154 847705 845174 835647 852700 843942 538764 503605 378584 1747130 3580727 3512729 3454337 3294690 3113188 2944335 2904703 2851396 1040994 1216779 1881794 925754 883571 916604 681865 632152 1347915 666027 792703 2268622 426025 2042350 1412758 1755495 547003 641667 601828 564687 1269064 343086 739357 1055217 782014 648946 597226 933387 735930 1108977 538469 702501 853728 380643 752715 461652 448237 534013 932243 632059 500156 1215213 454086 494401 359540 511623 1866811 523757 713204 281489 530574 578241 406300 741671 915182 1061427 369846 1844799 683805 420941 438128 483330 535803 1725554 450266 391741 431598 1971611 486393 1745441 624749 754948 601014 1533694 3362860 1043597 628285 52738 50791 77072 293958 699537 1307060 5192599 1046228 597746 1413540 173972 1256927 508195 314479 536569 1341566 1067816 587025 337720 793619 3071953 1358718 1780356 595199 673913 1954930 513203 259391 628353 607426 699064 802077 1129933 472699 434420 323397 940049 1301136 1068512 356111 731097 1142332 1090089 1469124 995030 392117 715206 1115480 401925 1106787 396016 684758 628994 908550 333672 570212 654267 527246 1221807 716602 393666 600247 871936 428201 318190 681735 1406150 414542 3534675 697597 664788 1852811 690701 520576 483519 1459504 341449 525775 670937 444133 435448 2001513 629687 503633 1405164 887089 809110 336613 908243 679227 485467 1676696 361735 871264 658600 251913 1492166 747776 681011 437374 679427 406073 352388 1471960 457769 390665 379975 370737 DG(32:1) 379001 340719 260272 275211 341384 358921 362807 378052 353967 352296 360834 355560 566149 556248 552056 563634 1049011 1040423 1057349 1082556 1144248 1123096 1107017 1106273 378977 353222 355039 362103 350239 367455 361335 356117 339657 337460 362234 357672 356259 346144 361931 356619 348491 353650 358377 352810 350822 348409 354897 357235 362058 356294 345626 355596 353445 355927 359485 360738 352281 355471 353039 540970 489994 505420 1716032 1221572 1213396 1272354 1266411 1416463 1376260 1327841 1338373 470617 490651 449098 492549 244457 249691 239418 211143 260082 213015 335518 394594 107295 657638 436767 559495 343391 338659 239613 215578 521792 189881 176452 276999 364716 229534 198420 230092 335600 339457 293895 325846 293465 247014 418436 218027 218756 230353 266112 195305 159471 312596 373413 186600 211913 194281 508645 241104 232294 141342 196308 331195 192723 295339 313061 275346 81083 605975 203982 189089 205117 258203 144882 566034 140434 47717 195863 476838 204106 742713 118564 212821 224677 591974 1486261 297862 349184 17383 21012 17457 44433 154740 496181 1711695 207936 247632 416216 27200 316870 194079 154569 149167 466531 594018 262374 142156 362524 649625 349934 478549 135191 184541 532834 263820 57728 251960 93502 228680 290178 338811 197087 107178 86887 309529 981658 486806 100109 371950 361710 297603 168551 374006 83206 309939 264071 89020 540877 132622 192371 282199 361612 119710 216550 208090 257978 480157 268427 181081 220851 184070 207411 150905 216062 492536 254295 1408574 255436 135884 502331 210580 212166 102148 818378 87544 487453 143428 169681 136997 1034598 309471 123304 357210 263097 469392 105189 302544 309695 162896 851283 132947 245594 169442 44263 636285 207881 455658 63151 469094 132196 90973 622339 187324 131137 231761 120040 DG(34:1) 10035512 9390887 6055477 7068572 9255183 9435987 9196441 9515769 9521333 9429057 9603766 9331277 20332800 20025527 19691666 19327941 29566146 28403750 26542809 27398570 27599851 26273954 24273305 25314650 9709129 9575843 9669685 9407214 8802395 9453627 9605707 9014842 9239976 9313070 9549490 9448580 9516886 9423953 9321548 9404570 9561623 9133474 9594105 9440213 9424855 9367515 9488709 9124618 9463281 9493803 9171751 9445501 9536953 9385658 9433167 9387000 9428515 9431785 9423401 2645603 2398741 1610709 15620353 31289006 30313312 29919892 28710177 31936623 28849009 29006399 27811201 11018647 16288337 16730822 8973966 10410011 12334712 14303280 6299483 16967249 6951343 10818985 17379763 6132151 14845966 11722172 14573581 9196086 8865448 8238625 8100518 11059729 6313902 7580480 11818309 9802473 8359023 7072684 12971272 8092602 13139381 9833127 10420020 11534622 4540307 6838958 8146418 7005902 5390951 7735252 6880366 6428931 14895532 6047254 5733338 5438156 5298773 17394094 5768615 7551298 4523492 6114756 7413973 7177735 10511020 11754373 11438242 5469439 14377407 8148565 7793521 5281900 5059113 5945752 21768065 4879235 5903372 7005133 20382081 5543689 15189844 6362687 9472774 6280035 12803010 30976434 7901570 5849544 33413 34280 41837 5408180 7522148 14263016 22901960 10742073 5164279 13298043 2391313 14659894 7731379 3532817 5168009 11430719 12668115 7613484 5984838 10608950 32045764 11343529 22003904 6562294 8153971 17191013 7853176 4125073 8693093 5717644 6546910 12314691 21469261 6923005 5209442 5118559 12314730 23410595 7359935 4057603 9115543 14633468 10692089 10874004 10549087 6744111 4357924 14929191 4840508 14363553 4039324 7410939 8622309 7598086 3934335 6949067 6818785 7557486 8021811 8327388 5118719 9253434 12976846 8231072 2915044 7309756 9715370 5935177 24452318 6390958 6493356 19932797 9443819 7065343 6539867 14184886 3903478 7636017 6653685 5544202 5487132 16184533 7304732 7106986 11510628 10245209 9638359 6591730 8561527 9360367 6459352 15608545 4071161 9601208 7887607 2837722 15341215 14278861 10252903 6040093 8192522 5155779 4671268 9700978 5774081 3001882 4979520 5711212 DG(34:2) 2726472 2412984 1920177 1900274 2196906 2445432 2528529 2505308 2474819 2510177 2557383 2545497 4684957 4448009 4287428 4379606 4142015 4177966 3677327 3843033 6519861 6475181 5924329 6050892 2472439 2424806 2369655 2604842 2521972 2552589 2581206 2545376 2490877 2465288 2660075 2511001 2507541 2489674 2646593 2507621 2467389 2502136 2543547 2475579 2504526 2549748 2584243 2504611 2549258 2525964 2486607 2509112 2495208 2503723 2508238 2516406 2501980 2494922 2501144 3469816 2954626 2136888 11002463 4458665 4588247 4323612 4304033 6777982 6697869 6430702 6380290 1916314 2572974 2089377 2064787 2598568 3362718 3323737 2336062 2909568 1640505 3295650 2413107 1441314 1543472 2554121 2748855 1266121 1757827 1645065 1753117 1550683 1655667 2619968 2329119 1728647 2841046 2313742 3484419 1758120 2064913 1985641 2685933 2092459 1250260 2192652 1863257 1932630 2303433 2852699 2056456 2669338 2088595 2084662 2023177 1353585 1922261 4565949 2247786 4356336 1390814 2290888 2585723 1943175 2078213 2504390 2005360 1213749 2633981 2264291 1554404 2049035 2133845 1132146 3293583 769875 613084 2214712 2198207 1539167 2917442 2085969 3360351 1704154 2149607 8339839 2386858 1792750 5645 25031 25856 467177 2559917 2400364 3335177 1949524 2533432 1997758 1027847 3568439 1532655 2422074 1813049 2644052 3079899 1402800 2307817 1557275 4527422 2495843 7317172 2337119 1519418 2330897 2167515 879096 1541792 1506765 2733576 2360442 2109660 1494648 1678333 1523384 3080311 6834868 2299506 1441734 1569260 3962036 2518723 2140265 2563798 1409244 1879867 2622127 1950293 2470642 1633533 1595631 2859350 1306941 1403119 1780440 2387096 1913403 2371946 2695704 978311 3054666 2809173 3007642 1345606 2231249 2617184 840850 7244016 2696777 1991440 7260004 2150233 2281423 1510029 4818111 998148 3582710 2151122 1351013 1809374 3726359 1670017 1574547 4198066 3522403 1716216 1220565 2274314 1628390 1622614 3440134 2116386 2766463 2787517 1521644 2450623 3832029 2327938 1826593 2878582 2172931 998992 2096934 1851431 1126804 1434084 1762950 DG(36:2)>DG(18:1_18:1_0:0) 3310657 3291357 2296275 2580826 2665566 3006196 3048838 3045298 2991989 2998504 3060369 2973390 11903355 11710700 11237459 11484869 8645048 8674420 6341928 6570264 10923740 10770200 9749276 9883339 3152730 3050090 3044310 3049826 2984168 2898685 3079168 3078839 3062908 3020957 3009949 3152302 3077945 3044392 3146262 3169044 3024442 2926441 3082721 3052734 3042762 3014028 3191381 3009240 3083133 3089330 2971786 3080609 3058037 3058446 3040599 3020759 3024980 3053536 3076235 2324440 2298417 1376890 12715229 4824596 5078084 4389241 4186703 7130817 7015220 6951596 6770153 3787120 5778257 5257457 3128442 5065830 6498545 7202763 2181109 6398129 2494255 5681638 6707079 2813207 4844146 3857637 4643668 2422118 3833687 3055091 2749724 4441107 3468980 3195098 5783931 2877195 5115121 2558547 6375263 2465954 3371172 3326661 3113551 4312601 3101459 3165687 4301508 3061716 2836971 2996022 2349164 3531148 3785917 2523518 2667614 2322096 1950575 8803301 2970203 3231968 1492186 2564232 2951288 7161041 5441512 1900816 3289595 2816992 4596011 3244179 3562036 1985296 3196496 2771222 5129172 3147236 591895 3464145 6038974 2001997 4476234 2140462 5013719 2539681 2142286 5220908 2305986 3604965 33647 34056 44686 1163354 4517553 5783621 5915032 3341247 3356586 3298684 522982 5677079 3950488 2628170 1807020 4200684 5553301 4761757 2228815 2696583 11032230 3098672 5087462 2109205 2017249 3093460 5661609 1075457 2901574 717463 4374605 4930852 6539786 2318389 1883990 2068230 3073302 4416467 3001035 2064936 3187372 4886221 4107977 2830265 4165431 4098768 2404769 4332203 2054503 7303063 1811239 2487309 3474061 2708934 2674321 2940944 2216173 4039521 3348917 3044243 1976573 6366185 5524442 3673082 1636503 2332289 3495974 2397403 8693298 1687427 2169416 5220820 3848151 2616818 2880259 4804636 1284908 5296482 2537423 1987238 2116965 4293093 5507572 2142314 4366033 3709382 3719103 2305674 3782596 3844439 2330628 5208360 2774155 4083749 3152634 1266955 5755692 4026787 4390745 1743302 3146648 3799788 1849633 3629763 2760337 2316328 4182099 2807802 DG(36:3) 2138429 2245312 1764427 1779011 1853081 2048528 1971041 2017036 1981422 2015116 2023822 2009227 4289274 4286099 4706338 4629101 3665030 3611531 3673196 3836114 4898218 4774901 4531272 4729430 2041848 2001348 1998586 2019476 2010002 1972855 1986879 2076420 2062939 2066510 2159070 2005721 2011511 1995240 2077831 2014804 2048559 2014675 2035741 2014341 1997155 2065074 2057145 2007232 2018572 2009465 1993456 2018390 2026460 2013176 2029253 2038968 2014362 2002911 2018788 1469263 1408608 930658 5082146 2261067 2272753 2314206 2346567 3008192 2902599 2956961 2910758 1431419 2628069 2022408 1657291 2213954 3123299 4811938 1223466 3261634 1290411 3161768 2454182 1486609 2285493 1933870 2019434 1475695 1616202 1744805 1272247 1285721 2416899 1853968 2101292 1079569 3356220 1813885 3704963 1445036 1456753 2232627 2078741 1874314 1334660 2075959 2266910 1692592 1248392 1537706 1243878 2363349 2295259 1336290 1307673 1452144 1374878 3846722 1466983 1953397 747651 1486716 1936342 3209512 2487911 2182113 1643072 1024500 2320079 2116589 2373691 1558820 1723138 1096473 2849107 963408 607796 2202161 2590580 1224243 2538842 1458887 2888353 1680447 1178058 3915532 1435034 1433640 49439 48896 59772 708606 2646829 3025944 2072559 1702357 2065325 2016259 711244 2378016 1337255 2122819 973115 1858063 3534154 1235629 1138933 1424693 5448794 1573049 3548938 1170769 1277465 1936603 1922419 773787 1202592 977920 2154598 1899430 2339049 1498299 1569157 1306011 1745237 3344374 1376991 1067888 1496935 3269331 2102660 1645008 2411226 1832947 1427160 2395250 1812798 2535995 1128956 1342774 2684442 381845 1011665 1654791 1627395 1999436 1397211 2155371 951053 2044840 2631016 2348441 1333829 1467569 1902974 945970 4320925 1518851 1385003 5659309 1996666 1965091 1440296 4075828 845024 3256364 1335784 1126279 1525958 1655271 1455417 1208828 3244390 2368684 1414936 1460670 1866188 1375906 1463743 2193136 2311528 2267282 1951919 1108291 2279907 2792216 2648748 1328675 2395621 2120215 948514 1224849 1220476 1101355 1615264 2160652 diethylphthalate@8.27 52668 53341 56592 49282 73569 58916 50803 41622 66734 58174 52731 52266 1011445 902031 382041 522185 2713111 2321492 1851512 1795593 1022532 1017770 623184 628638 52497 55016 53129 52222 59092 53803 53600 52731 53301 54486 52386 51413 29838 44281 56981 54651 53133 49969 53509 55860 53932 53114 55342 39965 47619 50080 53429 53447 54923 53213 54327 53970 54822 53129 52514 1075699 1240310 903785 576695 3134595 3084172 2167047 2117879 871593 824356 505952 506152 3620908 3574923 3302203 3180894 6437197 4829734 7208431 3628919 4229315 3754934 2961161 4459186 4839474 4000012 3407909 3370120 5384215 4694438 2814687 6254410 2996442 4448380 3809049 4886429 3076885 3940725 3317570 3990088 5228464 5217809 7797062 4447111 3553769 3355064 2547159 5723686 6305854 4608481 6273449 5665743 4546697 8615670 4703294 6103637 4513526 3065933 4032141 4267500 2756497 5901112 4894735 2492026 6141785 4105879 8742022 4853443 9474912 7859130 3804698 9499254 3140605 11556490 4892037 6290567 1515941 4149529 6975687 8125368 3170180 8268553 7271590 3424755 3764899 4446764 2092444 10425350 13073798 8306095 5083604 4638644 2446324 3964139 4723254 5078264 5647311 4215638 3699755 1608004 6664595 11490173 2030816 4081480 3704864 5496006 5460634 2988327 6098233 5188244 3634673 10992404 5425335 3114207 2178643 3448410 2991800 4186198 4299101 3457308 3748582 3005259 3571424 3654240 4211598 1767258 1874355 3977113 7424195 2353015 5407060 3021335 6204352 4197785 2724105 4063695 5651189 4392136 4575854 5841324 3997871 2795597 5723391 3031700 4591052 5588381 3657712 3429760 4153397 5550891 2131632 2339230 3168734 3500449 3183548 3735512 2422171 5264783 8044914 4702893 2787558 4199800 2849214 4320166 3915567 4620076 3036868 5796917 4654823 9651809 4386607 1087501 3289193 5614459 3800023 5615793 3262415 3341646 5198156 5896160 4596990 3617427 4262965 2150822 3221338 2819948 5104901 3417275 3518209 4242191 4393514 1693804 2512921 4049489 5891445 2690925 2398253 diethylphthalate@8.51 38328 35838 35638 32463 35170 37601 32445 28756 36201 35997 35256 34696 171886 167492 107823 106362 212867 203169 113708 112284 230985 226428 120998 120797 37192 39069 36875 35628 35459 35673 36480 38424 33706 36796 35935 39580 37506 35614 35087 36251 35993 35932 35899 35014 37074 38147 36331 38494 35928 35013 35477 35650 36259 35788 36775 37231 37184 31681 36735 61395 66935 36961 37948 71178 66839 40009 39437 79349 73099 40035 42421 19543 70829 207742 19343 20159 189503 17587 13381 15746 3162 19080 22213 53913 25311 84637 88788 21005 28435 48316 51591 19498 12321 192688 86764 34825 32616 34861 36546 19562 24923 10565 6582 26473 11309 6880 25555 29388 14717 54501 29841 36453 21299 24861 41171 49145 44911 10776 20906 6482 144738 7219 152062 7938 12935 48484 29348 70665 11949 18206 222266 54596 63292 35197 42621 22861 5601 100270 17160 7257 27245 184268 11015 32642 87858 8602 8163 6985 77169 74084 98274 27249 20161 14738 85146 20922 25244 9921 9569 17668 12764 28180 12596 86722 15090 10813 29189 18824 11140 14750 12487 91683 69639 28455 29764 39166 10199 35710 26384 13280 111798 23608 40236 22776 42356 17200 16276 79922 4695 18331 30801 44462 18097 41019 27988 21919 33079 7555 39614 9961 42966 5749 12978 40505 26532 47418 6436 28602 39211 10902 10835 56984 68223 192894 13097 44877 39136 204964 26304 24838 18295 44056 24986 28812 12690 29169 17431 36021 32411 47405 12757 54216 16229 19757 11423 29349 37804 13010 21202 11696 23885 14816 12671 16040 10744 10381 66401 3873 33914 31072 53488 69537 64757 28768 19215 53710 dUMP 32389 31778 31190 31813 30608 31913 32484 29318 31912 31500 31567 30852 1491085 1728503 56597 1209711 766611 791482 590716 607027 32399 32894 30481 30303 34572 30664 32485 32554 31175 32410 32666 31168 31486 31789 31428 33307 33115 31197 31689 31255 31462 31926 32270 32656 31432 32365 29710 31855 32702 31932 30583 31896 31661 31342 31882 31844 31758 29929 32404 985456 963394 873960 875514 550856 556075 465312 481744 22141 23034 29241 28388 25306 24705 25635 27474 26241 30328 24099 25411 22529 24896 24074 26482 27091 20911 28189 26841 25104 21586 33036 24109 24465 28629 26178 27160 22864 24831 27997 35339 28060 28186 22547 26950 28963 22845 26349 30579 29143 22092 23733 22240 25341 31311 23588 25731 25753 30269 21286 24018 22785 23372 24981 21009 25836 33837 26884 29917 17475 27486 28248 27634 21560 20833 25828 22727 23626 24038 22953 27459 22583 25539 24153 23036 27141 27655 39764 24281 26896 510339 64 64 23590 25486 27235 33456 29593 22804 23050 22054 21117 20875 27365 26989 25504 29186 18254 21765 21126 22742 28323 39377 24988 34225 20844 20568 24022 18249 27586 20172 28753 23916 26861 22360 15100 30795 43382 25683 27309 25219 23087 28983 29655 25371 20453 31072 27355 19859 27609 27532 27933 26239 23099 21483 23213 24867 30273 28915 25065 26358 26814 20848 20376 24096 26539 23392 21818 26228 22827 28979 26875 28076 22233 28704 25369 21094 22972 18388 25714 23201 26095 26692 28431 20432 27504 19270 19879 20440 18634 21914 25845 24351 23381 24852 19076 20678 18762 20123 21458 29248 26799 25421 26426 24663 26490 31611 23746 edetate 5656 4974 7198 7694 6098 6308 6446 5526 7135 6136 6045 5956 40505937 40006398 32867206 33359417 47607230 46617056 37469647 37582168 66451463 66075623 51466587 51102737 6149 6556 6881 6638 6075 5943 6101 5042 4566 5562 7343 7452 5928 5865 6110 6017 6234 6141 6372 6232 6080 6299 6108 6531 6109 5857 6132 5914 6289 6440 5920 6855 6118 5165 7140 42873125 41930606 35129371 34605063 51195109 50799755 41237589 40822305 72174600 71578156 57155456 57381726 8844 4877 7555 4057 9230 8047 7039 9182 7641 5002 6687 8863 8305 11649 10643 7455 9078 8644 10299 5049 7386 7143 7951 10231 8278 6262 7890 9261 7390 11573 6703 9565 7671 7882 5992 9640 7245 5720 9850 8535 10178 7642 4387 9870 6162 5979 12269 8844 6282 7328 7434 9575 7954 6997 8663 6096 4958 9238 8437 9573 5380 6745 8122 7818 8729 6145 6390 11704 10946 9236 7111 18157 10271 9848 12632 9186 9946 87 87 274 6813 5650 5928 10087 9843 5071 7279 7208 6493 9043 9938 5579 20127 12384 5298 20605 6125 9168 13502 9510 8679 9224 8203 6564 6566 5409 8965 7675 7737 10058 10974 8196 2679 5084 9715 4948 5688 6373 6992 8643 7852 6696 5767 6656 9511 6674 10161 9695 12979 10497 5468 3254 5221 8105 7059 9962 7155 9522 4398 2436 4694 6696 8771 5759 3772 12365 5173 5448 7090 10311 4968 12109 4998 2489 6111 3957 4520 5790 10049 6730 8675 6988 7554 9377 8154 9137 5862 4594 9278 8768 8605 9571 5022 6971 15061 8615 6070 7333 8566 3193 8162 7746 10264 9670 7336 epibrassinolide 373849 371417 370611 360316 375593 371030 357466 354463 358775 361806 377113 379573 455059 461868 420619 413445 445676 451397 467544 484307 465850 456135 403777 408315 391325 368104 374363 358515 382562 369659 367589 374596 365864 371367 385655 385347 376318 373285 366615 373879 366831 370454 370519 372616 370917 372252 370949 383866 360357 387614 375331 331558 370995 370005 359833 370208 370984 381016 375708 432488 437054 367207 376840 426767 441200 439259 460762 430575 449934 350705 366162 350443 338174 379764 233003 435416 391754 416873 450369 407699 346288 392706 416580 365226 410801 388546 344936 285027 420834 424472 368771 231511 402443 420447 352638 361957 307290 322647 411470 435863 422317 456190 442172 354187 357526 312135 301213 377322 346802 319562 402619 353892 460224 323910 417247 338697 368994 444612 480332 369719 470936 374945 315183 416140 515918 382514 363646 368524 367173 366921 403326 407033 428030 412370 352115 404026 343101 393068 389644 381811 364770 403647 387257 365778 370254 375119 423126 370980 466595 504065 6203 363744 369870 356361 364248 392167 375511 350834 385481 359987 390349 392293 398820 326581 368957 394704 344390 368155 417203 379557 369590 397552 386863 367476 388080 359875 356170 391619 363158 387723 395099 345113 379193 384972 283494 380539 358265 447095 436439 374651 407592 419121 446093 394249 408911 354325 380001 425697 360852 420798 410425 400962 422777 395241 390250 406025 421921 354547 444856 394874 411422 426877 346618 416241 391893 435852 393687 411047 297590 415431 382847 365953 429679 372997 416110 376091 419729 382082 365790 362146 390711 374934 396646 372277 377197 399324 355529 368427 412445 359815 371961 387901 407475 407320 363300 336234 386501 421218 351845 349438 368226 389365 376272 373616 326687 339027 FA(12:0-NH2) 117679 110023 110161 107424 112156 109703 103934 100573 118999 112546 109674 107454 103481 100113 88270 80557 95177 88546 89852 91076 109913 107953 86698 82453 112335 107908 107666 110841 109517 109376 108504 111462 110424 107864 109112 115417 112538 108999 108859 109489 109829 109253 111265 109404 108835 108487 110676 110543 109001 107102 110746 107067 111049 110105 109290 109224 109603 105802 107461 78749 79967 60323 64100 89784 86968 92254 97328 103325 100037 77754 80159 97638 80058 71459 75539 109249 91366 121366 60302 118372 69666 211156 274429 87660 112991 101658 78009 111913 91392 65557 66941 63718 75381 112881 175656 137475 56575 55292 109281 196943 73754 53918 115148 63160 103466 61257 171168 104929 54088 127601 120929 123090 243824 54826 64816 49183 69063 160370 70405 97317 99118 98586 44580 58237 73213 73331 61100 60843 74477 181603 74134 97512 69865 63286 90684 69825 96139 86528 94061 58101 53453 82692 71453 62114 74987 133584 137948 146563 52064 49226 59327 52194 104648 85826 131246 80227 111200 140873 77985 150425 82234 173784 97928 97859 84018 72692 121470 157051 56350 117283 105732 101367 104837 106071 78944 84705 105887 78175 150096 88837 89493 84340 81323 76558 90675 188774 80488 80879 104070 140282 86016 92270 94686 75261 91168 83403 110129 95138 90940 103407 141090 102078 106041 100316 178293 90836 111799 138366 87001 77553 114254 97031 73612 97776 89963 114852 95637 178824 100360 118467 89818 127881 133885 87621 86108 129376 150321 83199 71714 111024 177175 80449 88615 90386 85877 76881 73525 79643 112778 54104 79117 77067 88512 84344 66884 156633 86070 94490 85020 172453 71540 76244 90518 85417 64192 75821 FA(18:1) 6059062 5770100 5648618 5670867 5852272 5741139 5808423 5928694 5659388 5761655 5808733 5848125 7484889 7394695 5821249 5720113 4616938 4483035 4213045 4181294 4697665 4695785 4212149 4232365 3797021 1708405 6524072 5906010 5936504 5817130 5836518 5773979 5690541 5645739 5898918 5899507 5805848 5785261 5824017 5768616 5782050 5821168 5834292 5784305 5758631 5641918 5745519 5851727 5932049 5795590 5805448 5750489 5855288 5769014 5795519 5833328 5774830 5728203 5708473 17355859 12651566 12902414 14809914 4491463 4505371 4175143 4162494 4287068 4467399 4035804 4044754 4360438 4010973 3455726 4479949 4156260 4199482 4014007 7403415 4767979 5349003 7048711 3878796 3518958 3717902 4157711 4044988 4298112 3174974 3829783 4355947 3987924 3791335 4495834 3753774 4521078 4402036 4255389 4345101 4459168 4098660 4340751 4314724 3827088 4126928 5730594 3715510 3717781 4918193 10127369 4335097 4098106 4181826 4131303 4210769 4159783 4390794 3789324 4826447 9570248 4850879 3970440 3771953 4231812 4051622 4411136 4197977 4168814 4274728 4011708 4547463 3678153 4530286 4532139 3876375 3888388 4209286 5623245 4310818 3865610 4176045 4165140 4083403 4504783 4413307 3231911 4409416 4482875 7242547 7153057 7439566 4965196 4008603 3703066 4246288 4537315 4307949 4008369 3877279 4040742 4438265 4477410 9187434 3284317 4695486 4479592 4307434 4039420 3853328 4506080 3819930 4049292 4636261 4109977 4296732 4358402 3752639 4240913 3883519 4166307 4036416 3891745 4051950 4427991 4113775 3421357 4098353 5261466 4716772 4126763 4872157 4243600 4743316 4008513 5090597 4077126 3896496 4574468 3381611 4468335 4768646 5079205 4558722 4558810 4494104 4363152 5154812 3972437 4897410 4165333 4160556 4280062 5333689 4509296 4472692 4527307 3808287 4491048 3778975 3850104 4075641 4386949 4624083 4564933 4696700 4144371 4340426 5135202 4435758 3767408 3891066 3658155 3552029 3803299 4381112 4052526 3997557 4253566 4448433 3739156 4671678 4148281 3880114 4091646 3888044 3082125 4018108 3993580 3650760 3636134 4208884 4832426 4647473 4694200 3569125 3854944 FA(18:2) 291668 246699 309595 249669 255327 269977 284828 263043 262087 268628 272958 277367 183506 171318 164308 164763 194570 184335 132086 135440 184640 190893 147127 138354 303726 265590 273568 269222 266898 251364 305734 276158 271176 264708 254599 301033 267379 291735 266692 277223 279020 268392 270421 284192 254967 281945 264094 282287 273641 286603 259829 269582 270236 272483 267957 270907 270162 253709 262039 540232 578633 376853 259310 152982 149721 133602 130789 149289 159482 124259 128991 158916 153099 105300 145142 172496 125284 130948 177739 119784 179654 133080 151759 135500 109822 96694 167389 139022 145860 151461 129488 104357 159530 123935 152981 172622 133338 168596 198404 145070 158497 159414 195293 159695 142959 123074 177861 195951 115966 134891 170719 139842 165827 120373 198180 126620 173508 161484 165523 143832 156457 156597 164071 188895 190796 213789 138919 149791 187630 171893 255286 141620 178054 187059 159758 147632 131803 167201 160774 193122 152176 144974 163509 184932 154599 125525 208113 196356 95986 74820 81672 260979 156304 175869 169353 177070 199570 204219 144068 158572 166331 156463 171959 120853 147769 194343 162999 166491 150669 139095 144229 135551 194785 162199 191710 153318 149875 164510 183819 153298 154349 139020 147689 208061 224659 135084 131408 175052 141603 166636 167506 211113 168096 151713 124950 165338 194305 157657 150433 156043 188442 104238 163160 182112 156401 213402 146541 212564 197616 200301 164371 146112 171004 135500 153803 187294 105715 200672 161286 217871 184829 244744 160264 160623 202210 136020 174658 242050 232444 130379 147313 136584 140365 176295 108911 165996 124774 125113 150054 126536 103924 164510 169100 159165 136924 152657 176487 201382 171933 130635 196022 147196 154526 105712 142717 189965 FA(8:0, 2-NH2) 14911 13791 14629 14117 14385 13884 14212 12046 13621 14108 14183 12763 11273 9510 7379 7439 11350 9755 8483 8592 10035 10457 8342 7844 13539 13652 14095 14563 14024 14434 14261 13521 14002 14325 13510 14740 15502 13867 13736 13812 13795 14555 14076 14136 14957 13933 14484 14658 15308 14395 13947 14104 14059 13764 14640 14622 14922 13835 14079 10450 9660 7424 8239 8412 8177 7112 6325 7274 9946 9039 8020 5851 10772 7368 9070 8713 10065 6036 6164 3573 5189 5281 8866 12193 12590 8676 6525 7645 6776 13920 7239 6869 12150 11659 6810 6497 7585 10208 13969 7287 11259 5870 13522 9008 11016 10068 9907 14589 10792 9626 12867 12176 8058 14264 16950 12402 15267 6768 16594 4951 9857 8933 7354 25153 12301 6315 8065 19977 16592 12991 14414 20534 8113 18838 5726 12696 7901 17260 4737 7460 14093 18107 3822 10988 5986 4792 9632 12381 70 182 81 8259 5031 13391 9850 7785 23402 9072 10928 9462 4419 6022 8885 10754 3536 13086 7627 7555 3159 5838 17727 14987 18992 8479 5610 7331 4751 20097 13306 19407 7739 10816 14173 14511 10308 7699 10438 3243 3923 8437 12669 11671 7087 49138 9528 8904 23432 15635 9342 5902 6267 4661 3352 4353 4560 17721 3698 13779 10177 27483 18011 9006 6955 6756 11945 14961 13278 10904 16138 8432 11089 4535 10035 7493 5147 4344 8282 7614 5302 15071 21730 36776 5620 17962 3905 9997 14817 3542 8303 14529 11026 7656 55829 6876 2718 8047 6733 25967 10280 13793 14409 5094 6732 11327 18345 11819 gamma-glutamylisoleucine 151827 149047 146881 148028 148718 150053 145449 137739 149724 149843 147197 144175 284765 279462 281304 262781 331897 323760 270140 285494 280011 278644 239176 244162 148346 148187 147246 147552 149090 149193 148295 147412 145669 146700 147847 150590 148621 148602 146969 148117 147819 146982 147096 148253 147552 148098 149466 147930 146911 148668 152572 149401 147359 148286 149721 147196 150585 147516 147480 188593 192863 165864 188076 225573 223951 193706 199455 195145 194493 165805 177120 168331 130493 165072 133993 125712 112201 192799 110481 134242 127586 229881 160208 184000 117942 147278 144355 118920 113899 138484 127165 137243 130585 137645 147889 154223 133087 136972 129758 134275 140298 96676 133601 128562 125456 115691 178602 164475 120321 108498 125265 157356 166149 131436 104299 214469 122547 408562 126424 163872 153536 151032 196113 140491 106902 156476 151308 129975 105787 186995 109171 120641 112961 104661 364065 139624 113782 177289 114027 146052 198263 188917 131820 142508 198804 156047 85431 135219 70466 63697 52669 145198 94323 156029 347664 109463 107098 115348 100172 146632 228891 127300 106097 172530 138610 126929 111155 114184 139138 120695 200475 108092 211553 193415 205117 117626 254977 122817 127812 118746 103429 135083 201044 108160 93528 159677 200929 220935 163119 233321 122028 128396 111169 94117 147510 114845 121198 148689 137673 132601 339744 165165 109721 146641 144918 166750 180698 149271 147788 117391 163858 104324 116076 120930 130322 89559 126614 136277 113571 105285 118550 127605 114223 130090 115765 135279 148925 129358 181729 187613 142481 144375 130332 128357 135306 124193 153074 132344 108594 412309 136110 115694 159396 137444 149370 151304 133251 119667 182164 183289 122065 175144 137021 120595 120428 115345 gamma-glutamylleucine 114692 114321 111095 112883 112398 113264 111272 97341 119399 117670 115315 112662 328070 318285 240571 241825 328247 322491 217346 215389 448993 441816 302538 299169 114239 121338 114916 114009 115873 113438 113671 116749 120228 112307 115427 118643 116360 114768 114613 114638 113386 113802 114233 114557 114708 114503 114510 104646 123295 120681 113323 115767 111080 113558 108920 108568 118277 114441 114573 294356 291012 211648 199758 228072 223511 158943 155615 330116 325443 210458 229610 112279 137234 89160 77799 107555 84547 99640 88965 204288 106226 100646 146948 142860 168709 115929 109504 111927 200146 118595 143116 106701 127306 101651 101934 131554 107972 131323 129944 126478 162028 84571 131565 120941 79170 107594 163223 94571 63847 98187 122749 113806 119172 80979 102942 114980 117874 181309 95480 107629 106955 113064 114132 107583 138230 131753 99827 80333 119349 106132 115318 120420 130927 83234 138790 152285 109556 125111 100600 114854 89267 93640 94661 111642 95850 201992 91922 196552 4615 4377 4582 116344 101301 94202 164116 132449 77057 99303 112602 120153 408892 121787 105543 136165 174712 115591 154308 93618 189207 152309 321449 121263 364971 278217 91091 103613 69524 156136 121534 152473 83908 129575 149808 72792 84796 227744 113215 92003 63789 78023 126138 82284 71356 78892 71161 97793 129552 155452 115454 69604 142133 110106 56267 118444 113603 127823 115523 140586 101952 112278 60891 76386 104927 96329 147732 60746 83301 106746 169648 77451 109498 111913 110125 114096 92994 57436 78891 97870 104886 161818 123268 130430 107974 134139 115046 152097 166372 73502 135404 149112 159265 104145 206623 105796 180961 168596 138594 97039 94089 125103 88249 108351 85071 124259 142322 101267 gamma-glutamylmethionine 28543 27744 28373 27822 28738 28571 27571 24209 28886 27781 26857 27857 15024 15214 11561 11976 21199 20198 19211 17678 21808 22289 18256 17810 29598 28307 28056 28426 28276 27954 28915 28668 28599 28018 27777 28565 29603 27946 28307 27891 27980 28276 28419 28513 27710 28676 27660 28797 28840 27910 28935 28182 28155 27604 28401 27617 28514 28577 28544 41000 39162 28594 27519 49428 48348 40843 46545 53213 52045 40078 40964 28511 31364 23705 21590 28708 20652 17431 24760 33496 27267 21180 49917 39864 34872 19045 29378 26679 40421 35741 27446 27672 26264 33061 26536 24694 34351 43438 27760 29033 28594 24172 28373 27769 26572 27723 37570 22692 24534 31463 33324 26325 25698 24879 33629 35222 38233 29381 21322 24647 24843 28100 26006 22994 32990 33636 28150 24879 34007 22378 31212 30286 28762 25552 26061 46589 18857 20196 23837 28822 23146 34166 22995 36759 21350 15975 28144 23160 18452 80 287 27165 23279 34243 40367 37078 32508 23642 45799 40935 73944 24167 27498 37013 48392 34810 30607 22239 24832 21570 26036 35718 66592 40445 31824 26234 24908 34824 35203 34161 20759 23677 45400 25299 31603 18168 25877 25978 24128 17612 33831 26873 28922 30246 20961 21856 43452 33528 24978 23296 28288 18031 20049 36346 29007 34620 26171 27697 29811 27708 24170 27857 19219 19542 30730 22878 15372 27687 36851 21569 35127 29648 26379 19935 34176 20107 25578 21794 36918 30528 39850 46859 34310 38345 31977 39513 26573 20083 36465 25746 41788 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7748 3899 7292 1553 2402 2284 3210 6385 44156 9491 10651 2250 4741 3220 5749 4182 3430 5728 2705 6255 2663 15570 1630 5342 9436 4825 2108 5565 2107 2067 1208 3520 242 47889 45209 3967 3029 10765 3281 7454 7998 13722 6658 4103 8359 2351 6584 2985 4083 3264 1493 2795 15212 3291 4397 1923 6719 4991 3556 8203 2563 3551 3550 3837 1552 3577 2562 19377 2816 1171 6766 5307 6842 3749 3767 9448 3171 5695 6846 2659 7846 14814 5250 5382 3492 25928 6142 17280 3797 7370 6058 2168 2524 6719 5888 6227 22703 1488 6921 8201 3838 6789 6143 2422 3818 8207 5578 16803 8641 7943 4802 33330 28866 3086 6703 4266 17916 2877 2028 1872 3098 1716 4843 12255 5996 3329 852 1522 7934 8552 7151 3019 4300 8045 3919 3226 5630 4381 13657 3962 indole-3-lactate 40763 38349 38841 40304 39708 39553 38024 35959 38301 39365 37525 39062 41177 45191 36191 34083 49722 47385 39006 37488 45589 45344 34859 36243 38949 39524 38456 38603 38124 39689 39040 39571 39225 38277 39431 39674 39577 38731 38961 39088 38211 38487 39028 39198 38660 39488 38906 40060 40352 39551 38772 39078 38766 38927 38758 39204 39121 38700 38420 38829 35587 29648 32553 40851 39515 33383 33126 39389 36151 31060 27634 35559 24768 37603 22811 37909 26534 34279 56792 32796 28234 35607 46147 56728 41650 33485 36736 39695 37321 24797 37086 46160 32594 40120 38946 43500 33520 50830 37527 49156 60633 30317 42363 36245 32948 30186 26413 36719 36260 41231 27264 25819 68285 34996 53096 48199 40414 40604 48129 35303 33121 35468 71939 37410 44970 46962 43531 30924 43906 42485 45790 39648 46105 34452 32877 38700 52158 27600 36377 23846 28947 33292 19684 55270 36790 57801 45862 62714 183 535 97 30389 33962 36302 36830 38647 33856 36197 35139 39035 56607 31219 24632 47242 33137 33538 42889 31600 30975 43077 44831 37394 34459 38170 42078 35952 31134 46186 42848 29669 54058 28440 71662 35508 30951 42558 41108 27598 37861 43308 39420 31853 54088 47512 41571 38749 45369 48787 45506 36766 34546 89249 34745 30678 38909 33259 31177 28378 36637 35153 35462 36666 43887 36105 38225 31712 33196 35068 40874 35476 36038 24786 39301 36845 38670 33692 31291 24131 24982 48952 74832 38938 42732 36728 45113 38867 30314 29670 59753 27644 34877 29432 24971 29191 43513 34584 42198 27234 33527 55169 27072 44906 25493 55532 46487 32709 indole-3-methyl acetate 13914 14360 14286 14121 14602 14428 13049 13821 13909 14008 13921 13359 6946 6055 5851 5224 15822 14975 13659 14071 17894 19286 15541 15116 14516 13838 13599 13613 13704 14340 13790 14066 14015 13797 13597 14244 13706 14057 13844 13478 13769 13483 14260 14601 14610 13872 14198 14255 14218 13760 14056 14015 13804 13865 14142 13663 14268 13852 14120 6909 7153 7197 7304 19102 19481 17534 12989 20758 23286 20882 23453 20690 7147 5110 10891 9332 5539 7516 6479 7455 12889 10585 27417 11904 12342 38519 12622 9673 11439 8732 32093 6694 15852 14189 14738 25051 20697 42783 21723 15840 15041 12381 17077 14531 8658 8391 12000 12903 9968 11902 13312 11827 16106 27556 11219 26775 16270 7540 10429 28156 17058 16740 8749 34547 9991 10173 10240 14344 12899 11056 9839 18462 7928 9652 11179 10154 11176 5907 7508 48579 12938 10859 8942 12565 12322 6975 7739 41397 2042 2274 3579 96046 8311 11596 12541 9713 11773 7078 11040 10762 13692 12035 20075 12169 16997 10105 20299 59673 9837 21118 9248 16132 13117 11264 9267 12066 11228 49726 11537 16884 8585 13457 14504 29937 15868 10740 9238 9639 7751 12672 9468 8100 11781 11392 8455 10701 11792 11964 9183 9436 12211 20146 14461 9328 23458 18358 8254 5109 6027 14880 14629 14659 18664 11820 9314 61246 11952 11031 10493 19893 12020 7581 13944 13022 10382 21143 8070 8532 9700 44267 19505 11869 6233 12884 10760 11126 43571 6823 12667 12103 77893 10561 7241 28360 9406 10017 11568 7256 20099 17289 21088 9128 13830 11389 128285 13598 indoleacetate 53417 51153 50496 50819 50917 50965 49635 46616 49779 49921 50968 49500 62081 62029 48481 49450 65411 66885 54410 54098 68121 70872 62119 59956 50655 49507 48692 49051 50801 48745 50629 49258 51154 50742 46911 52184 51124 50589 50314 51159 50536 50271 51428 50478 51775 50251 50512 52329 52783 50522 48995 50803 50258 51043 50603 50743 50802 48673 50506 73285 70341 61945 59023 70093 70989 65801 69015 79238 81390 75747 74987 40857 57617 39233 31692 33853 44269 29684 41121 31931 41622 41818 52974 64975 57053 108094 56827 49665 34209 52972 69453 61182 44708 49167 34130 43465 60140 130239 47927 66834 95242 46953 73212 45873 44302 52063 46942 32599 33199 46886 37819 46714 63739 52328 70710 37795 52013 37355 29695 60711 17662 60328 49068 35085 32310 39544 57210 59640 55825 76079 40358 80519 35676 53569 40168 47043 50460 52809 34502 36788 37584 43938 22011 75429 49285 47471 47923 33811 1641 2505 1939 35540 37179 38085 49890 56804 60664 42021 57198 51048 51082 46377 36065 63619 92694 45590 51177 27227 51413 50476 54212 126659 47208 39756 34264 62534 36261 44620 48264 37297 39424 66095 78681 54745 30329 72118 36406 63833 46576 43763 48008 34602 60090 45026 62377 35557 19896 70122 74732 56281 31704 156333 74920 36319 67784 92385 42849 25990 25475 81504 41514 42523 57738 51800 43852 78542 34400 39591 39002 40593 35346 50729 49043 45236 51912 31895 38762 43448 37190 60361 61528 65459 27244 57030 44502 48775 29330 18232 63680 45647 140439 31645 36633 90459 30714 47574 51021 43910 44269 56943 81741 32754 47253 60533 112304 45088 inosine 266376 257204 256104 281471 285017 257430 242043 235380 248460 247686 246355 237417 102360 101810 107231 167843 157202 157823 134386 130062 37914 38388 31385 31169 187760 222479 238439 240773 246722 249276 249988 248570 249683 251510 248471 247445 251597 251122 250036 250418 249991 247854 251366 247393 246545 245591 247283 255234 250950 249343 249333 249073 246959 249910 247083 250020 248773 251808 248679 28806 25807 27626 30858 57467 53576 38749 37663 11426 11150 8322 8024 15707 69692 124399 86125 23702 59772 89708 40459 16798 63497 143728 18838 42893 56835 1348111 24926 55249 411994 30790 44879 23835 51976 434470 20056 21718 30854 186671 71918 416381 35342 51573 30576 85419 47635 49869 26237 123525 185526 25191 237504 10181 46964 37224 73879 69484 51857 32246 176575 131989 55201 36350 35907 62295 21623 119963 58505 39750 32273 9556 129456 48793 31984 45328 24117 23638 34577 44500 24503 31431 50522 34156 40520 37989 26625 13965 20390 18849 596 571 1064 68083 29378 65084 42514 98751 30912 103506 90911 70077 97305 33671 31026 94969 83466 25386 91804 39101 68961 60453 4914 40767 45399 49433 107291 70642 496820 41099 19667 48355 49229 19584 8786 65691 28660 58952 177998 285747 203314 143272 135853 143486 204356 84276 225531 164200 195311 52601 4688 85195 3541 37101 598303 230442 11824 149098 72443 7127 886 342005 800288 440868 319029 1754 78277 762702 36653 885167 78442 133431 49331 64220 261621 312135 90005 1198584 15242 322188 321006 10337 7321 787966 6193 3125 9505 21231 9681 5900 110310 8662 8124 7178 6549 11925 55709 10423 7258 11674 237917 21438 101812 115444 152647 157020 216366 112472 kynurenine 20889 21463 22824 19670 21649 21731 20250 19812 21378 20915 21010 20161 30373 33705 27353 28615 39921 40148 32229 31732 41474 43393 36934 35930 23628 20876 21226 21985 21250 20839 22769 21778 20835 22730 20841 22577 21966 20598 20718 21164 21096 21443 21395 20439 21359 21312 20980 21107 22927 21696 20818 21704 20998 21369 21720 21046 21650 21403 20991 73347 72041 67783 68305 61334 60116 51193 53171 65237 63059 59532 59974 17039 22375 38378 18897 25526 22562 21567 21513 27502 19364 25569 29633 35028 25063 24670 21600 24570 17641 27981 21454 22163 16451 21653 24942 27021 22085 26682 37340 22473 24117 17173 27426 21634 17234 13225 22760 22739 19628 17288 17362 19522 27436 21770 23766 21510 22033 16869 24195 27031 23732 22723 20396 19158 29422 22682 29169 17570 28225 22603 23250 19631 20526 16886 19016 23443 23178 20073 21118 17198 23864 20862 19719 28265 21769 40460 21965 20814 280 530 1864 16636 18678 20197 32623 23568 29547 24389 17329 22346 24686 19106 14302 30276 31736 21106 30042 20096 17049 24320 25001 22979 30644 20542 18421 24489 15792 30663 19798 21446 25927 18249 22324 15932 22220 34198 22547 19071 25104 18620 23970 17790 19838 20096 30279 47387 17803 33449 25573 19742 25600 17908 18388 19748 22335 22643 22624 21967 29276 21529 17365 15249 28972 35251 22636 19516 22629 19384 20745 21993 20511 20570 20319 33930 29733 49668 22733 26647 24904 26474 28471 37957 19937 21847 23606 27799 29696 17877 25314 21269 21220 26726 15012 22776 20562 16689 27874 19401 17391 29485 15244 46305 19960 29279 29809 17715 lenticin 216623 210161 210630 199880 215109 213187 211150 200014 219845 216199 216839 215533 388837 379447 296127 297011 775706 753288 569935 571793 639989 630957 456564 440973 219092 217998 215934 216919 215239 217902 217544 219099 211890 213601 210893 220255 219848 215896 216661 215234 212978 218396 219651 217633 215437 216896 220936 220877 218590 212542 212466 212581 217320 216357 213192 217337 217202 208523 214366 191877 192166 158948 147214 348274 358032 280240 267949 293602 286022 211381 216890 82811 208359 179838 133658 278665 97554 145719 114486 215449 416366 106023 178896 343720 585619 44766 86012 207875 116097 226954 222761 214178 84202 158049 108478 237816 159737 259901 365951 150427 219049 951626 595206 435032 50777 78694 239609 234447 256698 214865 212474 135318 341300 112324 147683 365746 302937 274189 38266 81228 73142 49633 40371 131628 57226 266878 229313 106369 249810 182932 204905 115506 230260 144155 112066 168425 51312 503900 367486 68426 188783 114901 95962 111576 24129 582445 9616 245584 1083 1140 1676 280578 262636 413474 353176 222085 121744 266636 170953 52370 124403 522825 86876 217660 201883 121573 72134 232524 151377 27379 21232 289708 117241 111751 47001 122390 75035 145335 175495 62259 274335 310449 220818 48726 247773 336894 193812 166670 156850 300386 60962 236117 94564 299107 25128 27456 166891 498828 32549 373097 63770 506763 203451 169965 125476 294635 30021 50915 548242 20491 11692 81091 184110 99902 288143 423245 255209 88358 50960 100404 48873 212028 228735 130612 96135 399722 76537 175419 81472 158716 510849 488611 302109 8718 131981 231790 297435 7694 15539 689436 255383 152240 71780 216079 61491 471469 198266 79378 300152 376834 29804 235102 97285 185857 17709 295938 leucine 687521 668247 668869 662787 675416 663947 656934 617614 655434 681068 678954 611663 839494 838582 610742 617102 844044 886461 542001 572110 872483 853151 679322 665960 680148 681274 674602 657240 670804 678737 673480 668955 673016 657854 665615 710197 692690 669299 680462 670523 664112 670114 668581 677424 677472 677268 673296 694531 699280 668065 644124 668629 680568 665893 662884 674287 678646 669533 674579 811623 786597 587664 577016 918211 965703 639862 638702 920269 887375 697591 698896 704205 717512 560884 502051 518627 648089 612150 543401 747891 639094 612149 818827 732363 707741 740710 697953 654374 821062 685708 835837 593748 660560 638289 714792 627325 638606 728719 885202 706991 793904 566983 753422 693384 553833 601824 725438 527318 534174 668814 616254 727875 729094 609936 620994 626368 692626 748062 654573 552056 665351 493390 663721 620198 804639 722929 675779 582809 712564 701099 634606 653523 659658 630908 644624 816275 630621 569575 668259 595395 599162 641086 602560 749629 670337 831653 551602 654921 650 536 1105 684759 578477 678374 811019 756433 609639 652977 567274 555985 628775 667883 601834 633737 825867 632070 673976 616593 757661 752802 872821 595021 750000 728310 638233 702905 572518 746384 702815 655536 560944 696436 528210 545459 685947 715306 614895 672906 593434 576948 731145 794148 546259 573978 554950 552351 625426 657603 599539 637021 682311 538599 530838 595440 684902 891177 721211 613485 521557 646953 426766 545005 595869 556712 752576 465365 653949 656283 697749 730376 684908 613143 779459 678163 674238 514846 572719 620274 599352 663609 886446 736720 703490 639327 539873 601041 681782 644907 596731 680642 668327 647338 731986 587370 579189 691393 636863 584322 653172 517778 622793 517225 720717 649361 714316 667035 Leu-Ile 27598 26491 26885 25458 27483 29498 26862 22940 27545 26570 27074 26219 63523 65131 45219 42580 81264 72908 46616 45449 92899 88700 51390 57055 27866 27755 27162 27487 27712 26821 27371 26353 27915 26554 26702 28618 28106 29039 26681 26661 27770 27217 27029 27211 26775 28251 27316 27818 28414 27434 27043 26866 27914 27178 27280 27278 27526 27255 25964 174298 174829 106969 98001 194391 195424 119430 116509 237510 236887 140525 138402 9789 52977 48040 17577 12730 30729 25341 17366 28033 21640 37645 31584 27691 25256 29399 32903 32138 30563 28430 35530 15081 53693 35927 17333 21881 23429 48681 17047 30417 19243 21499 55178 30197 49233 16133 37781 44695 64524 27466 19462 21900 42445 58934 63508 26480 34639 25906 18096 19278 28385 23841 14990 31604 30888 80118 38112 27370 51340 15955 48673 15234 35742 48897 15023 70291 26437 18057 20090 10705 19220 30860 11798 45643 19931 11736 14274 17865 794 764 1282 54626 24051 63305 34101 44214 26917 44194 45071 44243 32294 39101 20546 16420 46813 23854 19139 26173 23396 24186 18991 20539 353430 109988 19247 23162 21769 15075 8605 165822 18660 16765 17294 29445 12143 12836 33707 27438 32027 25223 34845 25035 22540 17996 24063 28689 16326 18617 13930 18813 23556 85036 24748 30552 15700 39144 22981 14228 22526 17126 15834 16527 45422 35602 25699 26780 24220 33637 37750 23113 20828 30667 50296 48562 19961 35186 21094 41470 61182 43021 40137 32891 44102 25762 16752 20549 42851 41963 28408 52103 38634 36018 37671 14253 85678 27567 21577 7476 25812 15605 24684 15513 79976 12071 27166 40354 lysine 13261 14848 13754 12511 13740 13934 13545 13652 13624 13982 13548 13046 6815 6443 6488 3688 9393 7799 7418 7199 8021 7361 7627 6766 13412 14101 13539 14015 15391 12518 12701 14574 13018 14272 13086 14133 13455 13280 14350 13529 13551 13241 13978 13640 13653 13997 12953 14260 13233 13804 13669 13488 13349 13878 13718 13795 13552 13912 13285 5833 5848 2735 3120 10843 9922 9675 9817 8731 8533 7381 8608 14002 20398 9479 9936 13765 13515 8504 10008 20033 14824 5560 17717 21653 13095 14944 14976 15035 15869 16348 8261 13990 11228 9883 17264 10229 18785 16142 15105 18051 17823 9298 16693 19878 14167 15910 19078 10619 10299 15203 12900 12950 10854 9623 9982 14816 16729 19239 14236 8798 6357 10603 15417 10679 10587 10998 15118 11285 15067 9730 15597 12160 11765 12366 11670 12681 10284 10060 11197 10014 11343 15164 10920 11150 10736 11766 9957 13183 492 580 488 9306 11437 12194 12780 11377 11479 11883 11832 12380 13007 10002 10786 5941 12695 14355 10227 10075 8740 10677 15207 12805 11222 12520 13108 13306 13710 12233 10850 13179 14558 8424 15077 11748 11858 12754 17741 17719 11097 11011 10135 9395 11883 12683 14861 11769 11799 13243 13322 10112 13070 9327 15329 14157 12644 14843 11923 13321 11248 18525 10237 14494 13759 14009 21896 17634 9398 14243 16794 11211 14199 13318 13396 15468 10241 9727 13459 14825 13631 12935 13008 13830 9881 14134 13273 12513 10406 8836 11542 10643 14245 11007 11050 9385 10005 8981 9076 12426 14528 10034 14387 10795 9852 18102 15900 12207 mesobilirubinogen 65409 63572 62147 63727 63732 61064 63091 65204 63809 63078 60868 62415 57708 53285 51778 49260 97785 99025 97987 97873 71754 68110 71649 67282 62258 61977 63185 62340 62115 63293 63225 62717 62479 62190 63250 61470 62508 61731 63607 60906 63287 65647 64213 59888 59999 62891 62624 62507 63245 61659 63099 63208 62695 61500 62556 64024 61535 62820 64854 43876 40940 40086 44169 52755 54272 55144 51825 57737 51185 48563 51352 8586 177202 90967 46861 42555 144114 28721 16646 67132 91467 56817 42133 61824 12725 21317 28836 16147 26719 24690 867409 45364 45926 174512 55361 28857 39322 62925 71461 75669 100156 52889 11667 34795 35949 27971 51009 70686 152339 192172 58388 98323 109939 41885 13857 14493 92796 53376 18761 134649 956208 51360 42818 318413 79432 35224 52808 247362 38188 31159 215087 641483 105100 41214 272261 70461 79028 20729 12950 25660 297330 244606 74011 39882 29035 17835 33995 36725 653 887 1046 84054 6703 149187 41922 121523 34365 43802 73883 37221 23099 17140 27719 170828 24578 43485 593124 25170 151764 32138 29193 92023 34194 51970 21557 81656 331330 71899 41540 130260 83157 40718 70797 35147 50427 35211 75427 30692 31460 30842 44477 25222 117635 45874 38071 131574 266450 36124 59216 31297 20042 21794 31530 43924 115452 31235 27365 56438 30130 45075 198764 456772 22528 20851 57490 80433 21145 50544 666158 1134646 166911 120991 159712 27246 61344 59690 29181 32272 107689 53794 61407 466725 141382 134520 42922 99538 46596 49560 43405 27383 36587 51676 31887 27102 46572 213347 36664 38175 76023 142378 60006 23931 363262 166526 32815 64881 methionine 82416 76194 82946 78810 80111 79701 79242 76319 82263 80404 81791 79296 83004 75799 61071 63200 91816 90319 75620 78414 95529 95827 80072 78664 83793 77261 80798 80509 80159 80258 70416 81156 81112 76169 81483 84834 84036 79974 79733 80754 81836 81192 80901 81364 79978 80553 83749 83957 83492 77785 78935 80637 81525 80670 80058 80131 80692 81061 80578 76654 80752 66543 65360 98132 98862 83267 80814 95369 99894 72157 81411 89639 110001 64003 69765 102420 67885 60293 104245 118336 76587 77631 100985 96078 74904 94834 85986 88387 108011 90277 92904 103600 79240 99979 93680 105639 88920 120017 81594 80546 94371 81478 97190 90856 91099 91166 73880 73553 88709 110688 102540 94813 115102 62568 102526 82461 101308 103728 86437 95093 87185 84055 110846 85717 86754 106797 89442 90891 85480 71416 84932 113217 93853 91372 92069 107582 68454 82147 92393 91282 68380 95786 76698 107419 88660 175375 84359 89643 94 556 545 74967 86280 87280 118029 79328 91615 75649 89222 95545 96015 80226 84309 106357 114589 91649 105173 74261 68862 84518 149866 86819 75444 72570 109782 79310 97806 93293 101589 81411 70346 100103 122507 75398 87198 153830 96808 89562 74653 68354 90653 66831 82472 88969 73029 78843 107416 92092 81810 68533 108087 83593 76164 110073 95358 85746 86452 86434 85619 90239 86479 77011 86809 80539 115976 72047 57602 91087 140607 65829 99192 98132 92172 88814 91785 62496 94020 71075 93816 96175 91560 138131 96252 88300 105898 94795 81754 70698 109639 90846 105911 68429 99503 93445 86656 84544 85251 92180 91891 73682 61691 83242 93295 78414 105209 62850 MG(16:0_0:0_0:0) 5753731 5639843 5566113 5718868 5854067 5623180 5576596 4918234 6024265 5736363 5679948 5476260 2914783 2945437 2767443 2796425 6421079 6151550 6220707 6280339 3832750 3656682 3715865 3688932 5848886 5717797 5506907 5639421 5669888 5819882 5691066 5680141 5613276 5544271 5355777 5693973 5717033 5600308 5592775 5726124 5655672 5675330 5718535 5654059 5809087 5647472 5632696 5650669 5565357 5567663 5434091 5786712 5583494 5745553 5691851 5643467 5652616 5709419 5657116 794748 721178 646660 916885 13000208 12614490 12259858 12236898 5580360 5329981 4905734 4888764 1981539 2323022 2765945 1573743 2602273 2039244 4474268 2052118 2460567 1548300 2449672 8987421 1744136 3952435 2113208 1976803 1412858 1318084 1417227 2474907 1717597 1862918 2160522 1882456 2043998 1801841 1604367 2130801 2789526 2682568 1910319 2877356 1647027 1451311 1608486 1790266 2113006 2329078 1634565 2501873 1972061 2768075 1581822 2392308 582003 1153950 2947365 976613 1349113 2292090 1954163 1197363 1465673 1612882 3371659 1567069 1900964 2716824 1166425 4066544 768550 997747 1911910 4115089 1610328 3538514 1782041 3986012 787225 1980715 1239129 1219288 2160286 1577653 1613007 1462217 1338693 5539894 6311175 10124402 2714786 1487650 1232535 3127996 2291926 1167644 2656484 1745092 2058337 1741605 1276365 1226178 1207785 2601682 1297055 1045963 1917159 2271314 2545130 1757940 1931497 3216470 2901447 1298121 1447002 1667185 2093794 1290462 1617921 2218610 1691903 1753159 1301714 1653292 1368347 1336763 1736970 1948678 1872687 2043306 2128352 1858733 1302961 1528168 1698380 1674647 2212192 1259311 1624520 2126562 1604305 1145972 1713197 1724114 1743364 1557170 1517728 2133062 1090457 1640944 1403564 1533966 1819855 1869885 1506551 1795452 1595509 1400548 6057756 1441577 1475202 2442529 1604436 1888975 1095443 1844410 1909666 1613941 1852507 1184179 1755673 2012611 2559268 2069532 2764512 1871354 2161356 2971493 2032662 2005460 3036871 2460185 1476505 1980997 1705591 2250053 2250591 2189047 1652189 2104745 1929594 1470107 1308328 1005362 1722889 MG(18:1_0:0_0:0) 1190911 1244000 1184324 1230762 1386101 1230362 1166625 1191027 1286289 1221977 1191105 1200912 2050038 1887160 1479174 1497150 2047541 2020078 1819284 1827168 1806540 1701695 1779218 1738704 1249201 1236791 1194868 1204476 1218815 1147815 1172206 1140307 1218221 1213802 1220652 1243350 1229639 1224801 1180763 1212955 1204763 1208902 1226067 1206517 1193413 1204082 1209377 1209836 1222138 1208441 1191868 1209687 1192557 1201660 1210949 1208592 1219666 1199031 1217186 841050 670405 575548 1285581 5587241 5514077 4635159 4452584 4970174 4700894 4335143 4404075 953794 2021660 1937758 1089937 1683348 1899886 1641266 905030 2450181 691720 915071 2608167 1008636 1256306 1202530 1279727 875765 1131487 1405504 983458 955198 1132488 1218906 766644 1178620 1453828 754093 2299323 1328471 1135666 801009 1239063 948452 551234 964382 1129732 737655 501462 642127 521786 776554 1335186 534096 758888 608009 663136 1858034 618159 1037057 608062 627733 757177 1013410 1808420 1221837 1322718 462399 1010003 762859 1134137 604138 611944 596872 3052544 666093 701564 1074935 2347094 652506 3263658 753226 1296850 805460 838284 1108901 467250 945443 64412 70431 51665 1012044 1140642 1306526 3018517 878394 412984 1664639 506085 2753024 840621 302920 673579 959589 3161207 631717 635392 892004 2838968 1056755 1156247 586155 952140 1951558 617975 468066 1158921 1257425 894191 907056 4230011 1660800 963578 464374 1431951 568227 448275 682995 2251391 3366312 1635708 1544628 1411249 956274 345110 3698724 1550054 5612068 639106 524095 1756240 843839 405170 973569 1333154 573773 363356 1707214 1011023 1187437 1425561 1568649 58497 2897811 1680752 2570511 1560411 1022228 330085 26993565 903252 956373 1757976 791742 670519 659410 1583314 733758 656603 1659199 831177 683990 928031 1052138 627493 1592522 961511 718046 901084 846141 499587 1721430 636634 682129 1101765 1260483 1186725 964329 2797135 917523 859469 1618639 640447 554862 477030 820198 monoethylhexyl phthalate 736162 695862 712144 729109 763099 720039 721395 704685 752704 708012 714442 703175 1107009 1106046 927699 942169 873287 867700 720754 749175 1213999 1212613 986120 1026964 736387 710486 709055 720720 722154 708296 710596 720805 687522 710739 701002 729147 715084 698938 715829 686472 702424 730052 705046 731110 707799 700728 686498 727429 717612 709280 714921 704744 708271 713600 711075 711808 726756 688791 695631 2121422 2644381 1675792 1918024 2169556 1820094 1662524 1865844 1609946 1539308 1280441 1315611 831926 860798 1278506 1028416 1461386 1078520 952721 1511260 1174906 1081908 1267892 1262742 1108749 1494085 1105710 1029761 1310672 965193 1373293 970667 595255 1287180 1187718 1131107 1029451 714984 1230353 1566498 1545738 1098269 659222 803721 1217829 732792 781299 1061553 954389 1430446 1096775 912747 1050649 1385937 713308 1252594 1028950 1013363 1141443 965940 826015 1172600 927681 825863 1007580 1600202 945101 1042339 789720 1659176 1408354 1066582 766512 845727 1222405 836026 1321546 1223570 965414 1723514 980249 866692 1584914 871675 1820877 876300 1059680 903280 989775 1733492 1299341 1826673 1141410 1367805 786016 907395 818452 1089645 1089039 1944925 780156 952637 1434551 1700803 743062 1007024 874108 1214482 1012722 785349 1376608 929830 1176279 1414102 1617690 1043794 1238402 771053 1189234 786811 1363058 1901840 793600 1022190 783550 662612 1274635 1199975 1007453 1045954 1038628 1395687 1109073 1232202 909020 899770 988879 936477 1015275 1232561 1176194 1319199 1208787 1099652 952472 1511619 1188612 1136821 984868 1226006 1145340 1255771 931237 883522 1639029 902590 1834869 726365 1412975 570521 1251209 1009652 1191270 1440459 1089342 932709 908357 690115 1077090 915293 809790 1250423 1200174 1353095 885427 899479 1066193 745018 980454 1270709 1115218 954924 949652 1140105 1144932 1181569 1758236 940722 1035827 2141730 944379 1096872 882640 1089898 1594138 1276387 1042663 N2,N2-dimethylguanosine 127847 127784 128145 124410 127588 134423 123341 118392 127425 127959 127654 126649 79002 75902 73122 73814 85164 88104 88035 91616 103481 103909 97987 96723 127500 129439 128324 126129 128782 127321 128634 125206 126337 127771 127287 133083 126905 127742 128895 129067 127607 127485 129221 126575 130763 127813 128964 124450 128457 132714 132373 127902 127227 127359 126630 128134 128423 130183 125400 62067 59331 58162 57032 68701 72967 67788 65056 72350 70580 67901 67572 127718 124872 91181 73708 118797 113426 69855 104889 118417 108945 145131 131179 150181 97239 148584 106086 112724 68795 116535 134150 98784 80283 94489 111011 124752 118496 100303 112643 96641 134408 74248 110466 185920 82749 68168 148799 126163 103637 168346 133925 113510 99548 102101 94399 101773 120312 129308 88512 99714 124430 126155 124066 79713 73311 106977 127400 130541 160157 122901 128124 95534 102045 136950 179186 80484 98458 142362 136196 95043 75104 85095 83466 130206 129121 168943 129276 120314 83947 84641 85334 96366 95813 124271 156979 105423 167759 103692 107881 114082 151412 101493 67301 88157 105179 86264 112392 125350 123227 60763 159456 138105 366952 201160 83750 81286 81997 111333 78028 193768 120077 82647 120033 67180 47604 67626 112046 93052 89402 104862 90754 63143 80472 94674 77794 133340 98223 92653 99459 87536 72619 132315 73137 102726 91311 70532 124808 57075 137072 64790 104282 42328 94442 75399 110534 101782 106998 84887 89660 65484 102869 84869 139502 116098 77965 80254 71120 89036 82455 219862 141534 170053 112790 150007 147901 131244 136961 141064 138786 153766 118889 109644 136861 81600 109254 191887 152059 84913 119865 91248 108496 114915 133351 96203 249792 119773 N-acetylserine 513585 506056 509888 500054 505907 504576 495902 477863 508295 506813 502128 495635 603239 597037 539598 553339 712495 703454 575804 583007 712202 704645 596032 599379 505521 509085 505081 509359 509772 506498 509576 504258 512158 508599 500127 511074 508223 512187 506692 507652 509605 507445 507912 504766 517374 506259 516714 523043 508729 505956 508237 502930 501642 511826 504970 508471 508729 506860 514172 618012 616324 556802 549224 715874 734445 625865 630159 725833 723205 657213 657342 648446 681424 414655 421335 695094 409686 412295 663175 712927 422936 662294 487576 631815 411950 677949 599383 473489 495455 576453 635995 681691 443701 522626 621338 670337 547943 851069 666279 488559 603444 405830 636399 637512 403827 322319 488827 542755 661396 680165 623480 753967 691688 475754 643562 691939 669776 506843 508920 442276 683904 461308 579496 664750 579315 886267 727734 575519 794881 441927 675513 532314 396393 554059 771201 548801 604302 546477 511811 475253 555685 539854 416702 705610 541352 384743 597226 573200 320 504 497 495637 459754 494590 664969 461248 425073 526728 558840 749129 683460 746977 413406 688495 650852 415573 666643 400864 692195 692133 811502 603635 641050 400746 682469 530924 595758 745839 504799 561075 548020 476436 772599 500547 572240 448204 865093 567936 484161 551138 811040 400095 516884 630945 634635 670054 602671 526940 802531 471275 768996 590064 611926 446083 482223 703541 574148 490133 601409 803512 513302 519959 807086 637896 907306 615820 562641 799440 900655 514065 585685 634253 602104 730350 478007 454534 657509 718558 497344 529892 462830 586812 375015 520654 561767 579406 504013 570442 651214 569944 501169 433780 553747 552830 480931 565069 538693 751070 822752 434059 537772 707807 682533 425520 839813 492469 niacinamide 88393 86358 84338 89455 91410 87095 88081 85429 96417 90925 87824 84958 308995 305176 265075 264474 259781 262291 203470 192006 370404 372463 281929 276158 87132 86282 89019 89337 87713 88283 87964 87985 87946 86809 85324 86855 93925 82914 82297 87536 89058 99050 93978 89019 89128 87578 87376 88966 87260 87834 87710 86592 88494 86648 93077 85225 86732 88664 89687 100158 100799 90960 96198 88608 69605 57373 51255 103208 127582 94167 88100 63733 62947 54308 54631 91288 23526 85505 58107 86845 106904 56031 71155 88629 129596 145501 62724 88975 49801 52985 76727 115849 66381 54013 83909 180766 75960 39565 103567 100497 103549 89548 63070 47065 121751 115835 107382 42732 32586 142421 92010 153984 203181 56128 89136 70604 44914 106646 74674 59915 114891 95767 168782 50166 84179 72980 57732 86037 44451 109978 92454 74575 84695 56314 120171 71603 99255 133035 150982 85120 93233 71685 106686 77046 132359 253883 73294 106047 1586 1688 2339 74979 100697 59005 98367 101322 90076 166362 68598 94124 116190 64663 118167 115029 107062 90912 163107 123149 60603 103305 162200 94472 94119 137066 102797 102911 93202 73526 87914 93043 97352 193399 101596 74975 139393 216248 45357 57908 91551 110758 89342 74102 31629 54422 81114 110812 30277 47348 132600 36041 97954 94729 48417 40417 145002 31846 79459 93936 83559 52358 63036 58859 36821 68698 106651 43504 96633 45477 70383 77410 66942 84051 84826 87492 86857 31554 42184 34755 85939 92408 79503 142938 119280 99068 165054 140170 116989 67150 44304 62500 50714 112048 110039 161389 70416 307971 197883 115800 58713 64925 73379 63456 113607 208797 65951 124431 N-lauroylglycine 36527 37146 38176 38467 37782 36300 40537 37099 38364 37798 37644 38345 45720 41657 41445 43468 36124 36768 34528 32583 47612 50804 39072 43664 39151 38076 38481 36825 37288 39113 37709 37232 37689 34896 37363 39673 37301 37403 36905 39268 38615 38528 39140 34652 37616 37924 37482 39154 37800 36887 36851 37351 37710 37688 37734 37292 36501 39146 37025 40615 40206 36858 34876 48832 46714 45878 41271 50341 48548 36770 43606 40809 23748 18142 24040 27070 22292 33869 18036 25906 38313 40249 71005 26625 24502 24921 18574 30585 19011 28396 32689 18222 28106 25273 19311 47329 17322 17999 32087 35394 27789 21166 40628 30557 26357 23794 29668 34588 33038 36329 36262 21982 27883 24244 19173 32489 39257 32008 22054 35523 25250 41087 25952 27675 21784 31048 23987 27940 25191 23706 29861 26088 27270 27150 32979 23868 23407 22491 23037 23308 21404 18753 27105 24976 25841 33739 23613 32488 28765 67900 19429 17926 24907 26157 29125 23530 30047 26653 24031 23533 25152 33413 47621 17298 30091 26055 27878 28529 23619 38231 22024 22024 36183 38168 31598 29762 22206 26413 22368 31170 25117 23189 27323 30385 13750 28422 28642 25911 23899 26669 30815 27913 22770 35711 22706 24464 32214 26612 29084 25328 39484 25012 27054 24216 24364 31046 25533 30773 23806 23076 20175 27727 20945 26490 27042 37389 27796 33761 15016 35057 26700 30492 35928 29532 27834 25664 31623 27082 26202 25991 37110 32339 26916 37315 29160 26312 25241 24171 29283 26513 28867 30415 33076 22990 22796 31576 32596 37967 36682 36217 35272 27227 26123 30665 26876 38302 N-undecanoylglycine 475800 455433 445082 448584 466756 455984 444428 435283 488513 463281 448650 457358 1022748 951545 797293 712639 1226266 1189698 975526 961547 845783 868527 704558 703318 445562 441306 446589 450150 446659 450171 450252 448871 451156 441884 440990 448493 452747 444959 445737 446750 449893 450516 434061 449952 438129 442059 448516 410804 436502 439029 447860 447755 448058 447130 447738 443796 447504 441434 438824 883158 882832 785605 770992 1636796 1598313 1404663 1386797 810196 792981 666797 671022 136467 194529 179853 151823 192154 247517 649108 167857 174382 293867 721449 933003 405301 428258 149002 349828 454864 422520 368225 381625 158150 220590 396777 211211 971952 168318 121832 515135 732952 335090 157200 548670 160887 446592 142400 142943 655150 176654 195195 669442 132071 759414 113167 194051 161679 223229 503490 224175 661485 403467 269555 116841 205575 273405 404941 209766 176290 207650 292617 510907 336999 323196 265099 289697 198219 230896 261599 301789 178568 255350 267994 228314 293787 240947 403384 327600 286907 246152 216410 191991 327454 241223 213833 378810 263774 212310 444058 335337 376791 272040 376062 520478 214532 304827 176533 452839 225853 196702 308146 555944 296215 378539 215686 241154 218748 264759 242183 303671 268613 347494 211384 280222 175268 326197 393890 284461 354255 324236 276691 283636 261584 244640 195315 236360 214388 244174 218827 342768 218106 240944 210556 214328 229970 239774 397888 332242 295651 212240 212726 179288 207433 294918 232666 259896 212814 203306 391834 314122 709946 212376 251325 429950 212200 207687 280365 278440 299531 219890 421833 370155 215659 464983 420117 225717 223087 481758 420381 588371 292006 242238 461893 474750 211903 229573 278396 262093 462453 350652 328387 209803 380318 220418 362716 158484 220884 oleamide 27673569 26255250 26249734 25879885 26345853 26406184 26467897 26915068 25367259 26669984 26434610 26241395 34444043 33321897 30773754 31421658 22714607 22429462 21466607 21136634 21472231 21631146 20325135 20280345 26926869 24344204 25715803 26167486 26632433 28504106 27150766 9622785 26507799 27633082 25761047 26633182 26339441 26382141 26380908 26171406 26471862 26491127 26479664 26329883 26287269 25575193 25911521 26642644 26804456 26501420 26495923 26103481 26613663 26164298 26267778 26403686 26359363 25850706 26289220 44344229 45212137 37823038 34480360 21738410 22218040 21116502 21157654 18077702 19802727 18835068 18601880 21693993 21947406 17198144 20183198 21947219 21540393 23677875 31133987 25826932 24056269 26622046 14453401 18745203 21184946 20423831 20335340 25669167 16028754 19674229 22602719 23048375 19035082 17456451 15033537 20059637 23931811 21568299 22223680 18293632 17958229 27584903 20772643 20345969 22601509 24261026 20319891 21143098 25826686 25607994 24482099 21248658 22446762 22562472 21036942 15103195 17996628 20320144 22883617 24672079 21392071 20775541 16282980 23392709 19879665 22460363 21345602 21125233 21607348 20466206 23184450 17967219 23217113 22964252 20016041 20017472 21520221 26397824 22124096 18999044 21221028 21200155 26290470 22706260 22573221 16791566 22533376 23025807 35883340 36243023 37538471 25063062 20855828 19125274 21750052 22855427 21654943 20814169 19644731 21048886 22970871 22439138 33191537 16200532 23737126 22750065 17170184 20659725 19939577 22737111 19409369 20704691 23286553 20939794 22184780 21926990 19346372 21836764 19855316 21084650 20917301 19413452 21638621 22524758 21013993 17810494 22650103 25833039 23092864 20613141 24309462 21734498 22484970 20662290 25960040 21664981 21431398 23448658 17923916 22933956 23906605 238679 23466370 22884367 24433530 22711297 25681484 21724778 23933662 21170224 21359921 21749310 30114586 22043602 22650212 22918604 19535096 22714234 20672522 18978470 20758313 23610465 23807011 21621005 24192203 21058508 22080059 25510182 23629896 19163222 20088572 18622790 18957111 19064453 21197152 19074944 20762491 20815158 21818405 18076412 22456288 22330285 19592075 21964498 18935966 14707383 19432448 20593031 17251171 137187 22186787 25009902 25967472 25698841 19243706 675060 pantothenate 68960 69126 66999 67835 67427 67595 67248 64975 67585 67519 67382 67781 152480 152506 139101 123356 101086 104619 84790 87660 81120 81515 68152 64945 68754 68893 67461 67042 69426 66307 67437 66665 67098 64341 67561 70648 66423 67967 66898 67914 67049 67351 67783 68657 67633 66506 67923 69020 68616 67263 66918 67526 68194 67321 67285 67522 67503 66187 66012 68795 66742 58814 61726 72026 69914 59063 56360 81771 81650 69873 69694 79095 57826 65989 72466 53842 91099 52961 50347 83284 74677 49913 54431 77216 81666 85875 48758 68560 77137 129880 69522 65253 75696 79902 55351 82453 53881 111149 69686 79184 78095 76619 74176 76988 51799 81284 91572 65625 53531 79701 55621 60593 93991 47955 81602 83337 90423 52161 55431 42533 70255 54863 69904 76657 56398 76889 67055 71812 71329 58080 69975 82967 88363 74558 67974 74389 80556 109870 81943 53751 72655 69509 54589 76553 71340 88163 71789 66357 50200 49429 53603 71152 76144 79829 85816 72557 69858 73504 57667 68393 67717 73033 72414 58175 73887 66824 66042 75703 101409 75987 80790 62086 71961 71921 65698 68508 67678 63452 70795 67314 63441 71286 70142 76147 66409 115044 71314 74870 75152 69204 75006 81135 71380 73137 78182 68189 69783 71334 73060 78789 73868 71132 62658 72569 71808 79237 77150 71778 76967 62760 62953 62755 72020 73209 72274 72866 68713 54547 70528 84648 72521 70889 78117 63435 80416 74865 56944 77753 69260 68046 55210 83816 72052 63062 69494 68371 66039 74247 67501 67180 69253 73180 70465 71472 66108 70770 72650 70702 74575 66428 70402 63631 72025 68563 64281 68730 PC(14:0)>PC(14:0_0:0) 2087965 2018413 2057407 2064524 2061188 2049346 2067465 1922293 2139660 2075859 2053713 2028531 1873428 1868956 1811577 1845411 7005089 6800378 2985264 3018179 5439730 5262605 2494035 2545425 2090832 2077177 2096631 2017208 2040609 2125888 2043860 2067449 2083724 2046761 2106886 2137647 2124453 2092239 2035329 2064508 2048428 2059455 2082272 2083966 2018325 2107050 2113351 2123314 2067784 2031194 2021089 2055718 2046242 2070214 2067501 2056507 2064472 2072729 2090034 258414 213820 272281 334558 2670765 2481358 885302 864751 3025699 2814351 950515 974554 3240116 2954716 3518509 3474774 2965889 3158939 2437855 2271076 2130517 3518994 3471885 3634886 2810838 3932601 4168830 3531227 3444574 3809436 3500917 2696776 3846707 3319043 2672556 4524456 3160944 2767469 2858274 2764163 3950998 3921995 2194249 2856354 3806365 3395232 2906819 4025027 3017433 2470688 2772455 2779548 2814881 3139109 3421431 2491847 3835807 2823299 3754622 2869308 2339533 3329793 3200670 3744148 3145802 3067092 3772626 3262465 2571698 5075253 3840189 3660039 3491466 4186529 3686080 3949454 3592807 2758779 2507858 6782646 2793352 4648026 3152705 2679202 4390496 4584799 6164650 5055941 4117796 12857 10903 9205 2421656 3134447 4540055 7548639 2491497 3053239 3332225 2314900 2762949 3115265 2549688 2107564 3750443 3464113 2903943 2793893 6774882 3751973 3389519 5211362 2808279 2633602 5183148 3744137 2326468 3522109 2200850 2998058 2035189 2258452 3368870 2630106 1986645 2232658 7469467 3621449 1970063 3411173 2912843 3408149 3297148 3130516 2539386 2956708 2429743 2356059 3255679 3861094 3273581 2795225 4058054 1643277 2822013 3225702 2853666 4538098 3785476 3649746 2190732 2004221 1948957 2719167 3147721 3156938 1417460 4970314 2088948 2104224 2544783 2326671 3262479 2358521 3882601 2181819 2239264 1656919 2898688 2222145 5333628 1746497 1807982 3102599 2601842 3543939 2646025 2991661 3667470 3289859 2552187 2234598 2416408 2577852 3167841 4072434 4170229 4221399 2513296 1781347 2177385 2088570 3264734 3016034 2682311 3335932 2338530 PC(15:0)>PC(15:0_0:0) 717830 730856 729430 711091 807913 744277 712072 622634 866152 700265 716405 666657 1851251 1982039 1851229 1837896 3111649 2967865 1856548 1862984 2861434 2682499 1714394 1711017 721461 710290 671592 734681 715939 720681 728911 722214 720987 714324 711424 724903 715098 713973 702308 738315 697544 720397 717786 723436 721271 743080 736714 734383 708494 687814 702412 768584 728667 724399 719429 717993 722239 750393 739192 133336 160106 170502 198081 1698904 1592383 710335 691796 1902956 1780447 825199 823438 971312 643902 784759 1181598 964549 1081123 891899 919354 865273 783158 884167 824307 808909 756849 728641 774473 969642 752049 640775 950240 780395 836310 712856 1015349 917050 710448 727656 945676 834260 797683 747502 931686 854762 953908 1028654 1090015 783864 862791 970180 860030 950080 1172194 768026 735906 679578 695206 1008282 881103 934416 1410272 1048768 686248 984226 1023716 1085147 946037 598973 1341590 1151280 986568 1115807 916383 1182251 877250 1261761 940580 1100582 2435359 702136 1014366 811716 812816 1274721 777724 1843140 763808 1091947 61519 46118 8288 629340 825842 1037889 1747506 850813 779033 909745 524572 1284457 906894 579732 903015 869855 1109704 707887 801083 1786863 1420486 1037557 2477156 813736 672097 1757067 1047007 603292 804034 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4056234 5328470 6441879 5457971 5015423 6249056 6722450 4805341 3593969 4841064 6997167 5183366 5016680 5294070 4474830 5786263 6086722 6215221 4948847 4617736 4845283 6999819 4709112 5135817 7770180 6539250 6042425 4836179 5865606 8549897 5361920 6341178 5753550 4741790 6678604 4388445 4129280 6122761 8063507 4111654 4823941 6104370 5753303 4810333 4957888 6912135 4348001 6566717 7186554 4904035 5124929 4229473 29308 41168 32685 5879079 4558805 6070334 5838339 5182211 4949223 4703669 4434930 6280181 4355561 4871036 4455672 4984427 5552417 4752827 5394781 5500408 7091815 5789222 5193578 5454117 6414868 5361615 5641555 4459701 5320502 5704886 5419049 5501310 6461212 5750955 4924070 4353040 5478331 5172865 4354400 5984438 5140645 6421007 5959831 5179366 6400809 5177583 5101916 6240169 5033818 3844488 4099142 4678383 6878072 5304180 3984611 6323742 5531581 4895534 5902769 5977389 5089164 5184617 5779930 6778493 4412628 6740664 7017632 4991421 4638992 8689147 5029232 5067133 5684826 7326061 5311270 6066644 4547104 5353381 5621657 5905686 5994773 6131940 4523086 4375825 4176064 5630331 4448685 6015518 5799713 5362410 6464738 5916675 4498486 4244406 5990399 4591433 5425271 5206752 9895401 3712992 5877408 5756822 5128600 6063613 4793325 3819418 3279913 7200397 PC(40:8) 2064669 1505710 885292 1075234 1562557 1764807 1804607 1790247 1661363 1754477 1815103 1806792 3435449 3498386 3734415 3730157 2198269 2276241 2169228 2181260 2422049 2471140 2397200 2377871 1755898 1960835 1975039 1826923 1792720 1831930 1790637 1784794 1800262 1788144 1833078 1789761 1794691 1812509 1819165 1816361 1768430 1775031 1763244 1781008 1793214 1793110 1830563 1798602 1787159 1787765 1810448 1781367 1769980 1786779 1795593 1804486 1768618 1796461 1800035 4995781 4371783 3330312 6921386 2084544 2163886 2194158 2240582 2119481 2270261 2205843 2255655 2536697 3449136 2829266 2972344 1387716 2520228 3435423 2286752 3786729 4639078 4824940 2122772 2224769 2763549 3454914 2236675 2603479 2163358 2140192 1732653 1949189 1994748 1668366 1611974 3444338 2404178 2521981 1917422 3164187 3115367 2892754 3015047 2259383 1705773 1924043 3169640 2619932 2229519 3816805 2846467 2400307 3709538 2439920 1864445 1587062 1837718 2223845 2022948 2122570 2396287 3940164 2097098 2145231 2344592 2890626 2478728 2431697 2460753 2020755 3036790 2056840 2821673 2410519 2792643 2387506 1852985 1699592 3015270 1292620 3646468 2723312 2445807 2604843 3626514 2172892 2168416 3119570 10275 8937 14884 1875182 2046435 2342077 2537358 2773283 2281381 1752626 1691870 2734422 3119391 2687437 2856628 1356556 3432257 3131582 2066601 1954163 2750686 2617239 2539703 1973618 2730971 2034541 2697216 2803061 3895237 1447994 2412402 3744879 1996373 2698599 3199905 2101253 2951194 4069993 2766717 2706866 2877389 2562033 2154658 2086891 2383622 1963883 2770134 3080297 1852337 2328956 1973209 2871707 2300692 3439760 3427726 2597333 2655876 2494377 2650497 1980888 2432543 2162691 2219840 2648616 2323506 1863856 2632977 3183387 1729708 1986682 2349989 2389324 1847287 2459936 1956018 2560075 2129677 3092907 2355319 2832405 2717703 3447926 2945607 2160303 2738247 2611261 2404412 2334659 2595097 2746794 2379583 2857113 2960025 2497832 1577948 2132247 2323200 2040006 1904718 1759126 1961713 1829123 2599026 2569484 2699057 1883079 2483656 2479726 PE(18:0)>PE(18:0_0:0) 3900778 3978211 3658143 3604592 3907710 3778804 3889581 3776502 3945515 3951959 3815267 3917942 2524496 2548101 3169818 3236063 6131661 5986000 6063859 5972291 7575281 7257512 7223352 7348127 3887297 4032107 4121033 3935321 3920077 3853300 3860665 3890009 3868397 3887165 3875377 3869665 3881786 3880960 3940086 3932262 3945141 3878053 3967936 3887725 3878499 4077339 3968983 3850179 3846124 3867158 3872461 3825436 3863215 3907416 3887000 3952321 3969146 3890306 3961963 4364323 4244449 3919322 2914169 7459828 7173760 7001152 6957566 10547899 9809336 9290148 9206179 2263081 2811635 2203204 1709682 2461269 1987869 2594476 2452641 2962047 1824543 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919083 674734 900112 1253729 1149811 1129794 1851319 1101027 1155602 1152209 1604972 1572023 1362466 1200659 1382653 1632395 830038 1469130 sebacate 1177685 1186349 1174556 1109934 1231880 1188445 1200176 1196259 1178264 1176266 1161837 1165832 24620 20715 17195 15852 25278 24884 31438 35294 24100 23759 25061 27049 1202649 1190334 1189212 1159991 1178369 1165752 1196781 1163115 1188819 1162514 1148574 1190232 1168419 1158124 1169430 1165910 1184426 1186827 1176061 1178037 1151800 1177293 1165852 1196180 1200751 1178765 1168675 1171676 1165800 1175234 1179433 1177066 1179652 1182614 1187023 23397 24937 15253 15674 35436 33544 40445 31835 26380 38911 36951 29706 474322 465293 422354 342572 334723 415730 405543 293849 396167 497972 444654 486698 506026 468738 478541 475696 450995 27837 544539 458435 445898 446545 504873 459319 314812 467272 630591 456742 503814 509740 392338 418570 472094 403148 442286 603056 434069 454093 496158 432651 481134 24282 508544 412695 539440 506482 62135 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16784 17791 17401 17868 17664 17380 17603 32461 33225 29845 31384 36151 37672 34049 33619 36974 39481 32446 34004 17336 18327 17527 17424 18677 18181 17095 17909 17501 17786 17304 17071 18393 17523 17562 18132 17616 17705 17697 17582 17420 17921 17918 17466 17946 17448 17077 17122 17649 17983 17839 17802 17914 17847 16649 18912 18229 14229 13940 20906 20953 16297 16172 21069 19253 14807 15260 20433 31151 20687 23069 13814 21530 13191 13424 24119 18563 14584 26422 27065 23511 30603 15865 24033 19140 30895 24629 16135 17436 21874 15789 25554 23744 22808 21577 20675 21939 25567 30538 31878 16093 17242 21783 20094 9490 16625 12589 24323 30406 19163 26400 18951 26117 17732 16615 14946 25402 22876 19729 19415 18434 22793 16886 11733 18429 15630 21964 33441 29826 11683 22398 31295 25355 36006 22784 14240 16780 14084 17273 28806 21719 15881 25233 18944 490 782 1946 20802 26154 20833 29388 26801 18748 15337 10921 29018 16448 22541 18343 18625 29387 15344 20948 16774 29764 25896 23733 20713 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1149432 sphinganine (C16) 13999 14529 13959 14417 13810 14344 13962 14377 14238 14030 14449 14461 184147 227800 220728 234257 16134 15216 16048 14875 19088 20660 17689 18813 13782 14553 14662 14001 14388 13396 13973 14386 14076 14383 14175 14531 14382 13733 14420 14335 14196 14117 14167 14265 14553 14294 13751 14137 14320 14464 14656 13858 14345 14084 14009 14097 14487 14374 13789 22780 22492 22636 23415 22188 22184 19598 22162 26289 26816 21309 25279 16658 12927 13535 14579 12683 13353 14648 15179 12458 12900 14074 15044 13949 13968 13949 13696 14312 14882 13342 12639 14470 14209 13342 12174 12611 12651 13519 13315 12826 13356 15015 12970 13637 13472 12974 10758 12459 11624 12759 14032 11266 13826 14763 13549 12031 33755 13116 14040 15362 15503 32398 13734 14551 14359 15735 13719 11951 12518 12505 14926 14850 13880 14441 14629 14998 13951 19080 15501 15039 12904 13967 13251 15322 13537 14105 16056 13355 17209 14826 14606 12253 15030 12506 14150 14118 13244 13011 14067 13745 13801 13634 24529 15196 13627 14246 13426 13719 14598 14097 15244 13165 13336 13466 13978 12916 13901 15244 14529 13821 15421 12637 13023 12708 12888 15201 14802 14268 14470 13328 14603 13217 13822 14338 15304 13821 13717 13232 11245 12977 14925 13708 12740 16280 14420 14042 11670 12372 14283 13023 13790 12541 14592 15210 13066 12833 13939 13115 13435 12503 14610 13966 15307 14267 14622 13189 42508 13468 13396 11851 13167 13634 13847 13580 13414 12817 12405 11797 15002 12950 16011 13379 13985 12270 12476 13332 14620 15800 15867 12162 14162 13959 13277 17800 13437 14352 sphinganine (C18) 31018 32377 27304 26186 33078 31145 30357 27548 35865 31393 30595 30765 61162 59669 47553 49209 161812 151474 124760 123718 190011 183097 146786 145825 31059 33665 34746 29363 31029 32238 31047 30420 31011 30761 30411 31654 30668 30762 30093 31000 30818 30819 31608 31065 31323 31492 31047 33327 30567 30176 31213 31120 30927 32143 30896 30419 31368 30802 33111 10853 8540 9526 35118 214873 183981 144676 139013 216088 178529 146142 148307 51730 29461 79078 39799 43661 65245 32181 35476 22168 18307 18955 49255 35624 47312 41131 36809 35837 40093 43451 37591 54672 40585 23763 46197 80773 35120 23089 58672 17184 36346 33182 36624 34488 26089 32424 30454 30154 22631 22094 25766 27657 45973 25528 27445 35239 40549 41130 31175 44465 26307 41312 39789 29371 31835 53777 48953 37658 34957 36144 36485 23371 31738 34885 86291 25765 65733 79653 82548 56978 42694 29166 27141 45647 48466 328552 41088 30661 1331 2958 4349 43729 33817 27782 48325 27690 15353 52871 26605 42231 22782 18106 22111 49930 33341 28819 38841 38994 57345 48804 85313 25045 34319 59644 18635 26311 32050 47879 27543 36949 43347 55106 37959 16805 31208 65286 19132 17692 26523 27697 31768 28539 28949 20931 12004 38442 31257 25510 24438 30588 64795 29919 10329 17626 28868 24849 17225 36928 60687 19082 24637 18016 13811 82445 34800 17821 42294 27762 24031 49170 38683 21422 35095 29755 25115 9981 22955 18980 19869 44112 30033 45833 39597 60970 64307 68196 44038 43454 47004 39377 24757 53340 39076 37061 44770 128052 60058 44594 26769 27761 33228 28206 23801 16710 18159 35550 sphingosine (C18) 66248 59905 49660 56398 66916 60200 59921 54444 63054 62449 60916 57901 83749 81302 55168 52056 210145 195922 136965 132960 321097 295365 196927 209834 65446 64005 62609 60350 60408 63343 57604 63174 58776 58607 60860 64052 63539 55624 55904 61198 59349 61663 60940 60327 59326 62096 61800 59639 63450 65420 55441 55318 61856 65189 59444 54969 59677 62562 60351 40194 36507 20016 82945 335251 319608 191219 196702 583244 547444 309897 330289 83722 52494 137686 96218 109624 98902 59111 68723 41550 28206 37618 79400 59397 75677 50863 63795 68229 66133 80161 75268 153477 71414 26646 67257 146290 79012 54378 108831 22097 56640 55156 69107 59646 43759 47856 59037 44884 40841 36632 41803 49421 85884 47942 40678 66403 76708 75096 59981 78830 50521 63761 72244 59743 49723 78434 85830 48405 72979 61807 66979 37467 66377 57039 117974 36556 90170 126204 128667 80696 61600 51553 43343 79628 95272 337233 75170 61861 14108 13032 22887 70990 69033 48461 93435 45086 42321 62282 43971 90151 46766 47131 37862 105190 72302 54263 78072 61882 74810 82424 99430 40992 66741 84502 40291 45201 51392 87022 38914 56933 74129 106133 65245 38724 54056 102305 37610 33780 40886 58459 50122 28243 48507 38134 23570 85630 56291 49741 36673 40535 109107 41457 23339 24766 48995 36359 37378 65986 96461 32213 32874 21817 29098 126029 55299 26390 95439 26695 52258 91265 62397 39864 57749 55895 38444 24598 27075 38256 26433 98992 48300 62903 65202 91741 133106 101227 128225 79735 63146 64617 55976 106381 76473 66948 70809 197170 86052 61871 50025 25510 48438 43714 50323 36339 27868 62997 sphingosine-1P (C18) 846012 841755 778425 823123 823890 852425 821461 769479 858125 826353 839547 832937 750732 786598 701210 588570 1127584 1153236 931634 940676 822429 853515 670191 691640 829423 845215 876941 817539 832289 850119 839718 833468 829980 807743 816339 871927 838965 824018 829514 838203 835830 832603 827125 833154 832306 838394 841718 828680 844640 832258 832820 837028 831388 837689 835822 831767 830286 837420 823982 353428 362664 305555 476821 574614 572978 491845 490409 403011 381298 333917 330078 742266 615732 449853 407921 708836 753809 639457 580925 568100 521393 476812 919407 826910 796544 721695 707623 845217 644911 760576 763037 488825 740422 608221 988046 491940 734333 735722 915847 631093 1066584 592541 852794 776635 599411 676642 856422 552794 584251 627671 597345 782193 1178550 433473 590691 903172 710910 829055 584084 487298 760702 665047 591814 768845 814270 728582 625157 583259 723166 642931 721057 697932 707678 758888 691464 529945 851830 720411 862774 845745 751008 757969 634596 859324 740886 1041085 664475 772182 49107 41369 51396 592719 607669 679695 661571 721976 671972 682391 739847 528334 599090 765261 483323 807940 712828 653196 765632 712067 718622 901274 1008067 663287 908060 810312 497906 734108 708789 947308 651195 758065 997138 868761 886970 559353 535745 1055023 718290 708590 637987 615023 691310 585915 646941 619189 680377 700846 563507 667333 894926 686752 899936 555688 476445 592688 708069 682651 762254 648317 670043 500389 522222 544185 582546 721403 778780 558718 707572 540608 544546 712730 674750 559701 786851 656397 539663 556900 598791 624006 561988 699571 821319 732260 677865 911260 767670 844100 731536 786729 721006 702153 819684 930517 908614 863824 775353 877076 896525 915838 550071 731090 681734 648395 720920 649516 642840 792012 suberate 79232 79040 77803 74804 77118 84303 66576 70634 76756 78280 79817 73641 17273 12510 16376 17711 20940 17736 21841 18894 17443 17180 20004 17248 76472 78080 77131 77397 78110 77421 75379 76180 75370 74393 81522 76201 79788 81096 75232 76779 78312 77409 76315 78047 78172 78240 77013 80030 74277 80625 77001 79330 76583 76007 75805 78351 77527 76390 78247 16437 16656 14650 16244 25385 18228 21162 17650 20341 21704 21105 17803 70108 77030 69062 58031 45167 57243 60491 40295 74192 87671 75680 69461 75933 70150 71166 75247 68308 28261 70180 86392 71039 59139 64221 61659 49769 70913 83820 51792 63026 90854 52864 56063 66361 49603 76058 94370 74939 83142 58985 78783 75200 23389 81077 71100 76324 73307 29959 44794 42710 35282 63732 76103 69294 27657 84333 83472 63711 78165 106914 29150 52426 27188 66233 90864 70195 64108 22116 25190 81042 88696 55537 76888 67841 90781 151765 27177 65664 27234 25899 4672 78735 38497 95205 85453 47698 76301 69387 73102 73439 69909 58046 53852 79496 66522 81419 109948 90317 88737 72596 22153 62007 68904 75654 63806 57790 56023 67010 64699 73568 43629 94604 79688 64918 59328 117228 89123 65123 60667 79815 58016 47685 52658 80360 54418 73872 47455 69465 60369 52145 65055 104918 38701 45438 68102 51273 71785 65855 67379 67552 55855 69592 73391 135286 77425 63872 102310 56395 89826 47221 65419 86854 69910 76097 78894 79812 54399 54178 65291 131666 58579 72127 70518 53763 82117 73212 92812 84287 28205 84798 67206 64780 70406 65810 80006 120273 47760 29984 55410 46309 51754 62793 64285 53909 83875 64498 theobromine 715438 681330 670173 666908 709984 679786 659442 640991 678137 675465 667853 650662 1878935 1861484 1697930 1715568 1073994 1046424 900324 900918 1031920 1025025 857517 862455 676321 676799 680493 679939 672744 680702 680038 682149 674241 682213 669098 689746 686929 681727 680678 674636 678235 678388 678350 681061 676894 663875 678256 685153 687638 682157 679149 676078 671810 678601 677075 683050 678931 672445 685267 698621 703269 625025 620704 385123 384395 339043 328584 362042 356379 307950 301624 276893 247745 2507682 222344 214605 8455013 227168 3218512 417022 267885 1849853 612775 657565 416279 138131 491487 563364 1177920 1967176 2047257 233582 978148 1535205 700712 110877 267540 162424 2763046 718902 592332 261280 157924 4568843 168805 52747 6951850 1234532 1019904 245828 263187 131745 394022 1294216 255241 96138 316629 1761444 257014 1670368 229929 239758 167400 5677 797690 401515 1089263 72064 3366323 2243184 518048 557355 178922 533533 1055569 1035718 530794 2304416 362171 266199 220037 105245 152540 1011527 1231320 223592 1047872 405476 645967 647762 907245 2596 357211 858951 1350460 80807 372903 195631 1039224 714628 587405 1946 870523 118249 94753 716873 18703 158672 271178 1922 46638 1080804 3452271 741746 80682 879167 234969 544201 107936 400926 582166 1567 430511 605617 597588 310712 642367 1417300 1015826 1640491 577092 58602 745639 999977 585905 1193391 140640 4414628 956692 2092938 6936 269568 619653 791231 82742 156911 1922083 536414 1714746 497227 297969 472099 174941 697477 1061426 1306990 446604 280703 215718 7554 238651 524421 1493790 573929 813804 347401 655319 169608 221252 90449 243942 342355 38861 253186 1322965 4491 261814 48095 972234 1139131 71134 100501 848480 40345 372219 217058 1775748 272861 854867 1083788 265824 646367 637871 157333 289333 919056 theophylline 323758 310617 305001 302696 341074 310934 306767 288625 308402 306484 295565 282237 1877092 1855539 1721545 1671543 2021700 1985725 1639933 1648174 1305733 1331237 1039045 1028456 303118 310239 307533 304069 305259 306431 306738 307225 306942 302265 305116 303315 302821 307040 306820 309184 302674 305704 306330 305985 301065 300525 303222 309994 311060 309613 301969 307636 305910 304890 303906 302549 306283 305780 305547 1158443 1162702 1013089 1002511 1072272 1079598 940352 922647 718623 714752 619488 615809 33012 1027103 132939 13367 236714 419622 299591 109475 448670 21024 608833 53384 62820 14643 13210 422450 500917 39251 158996 138614 8196 13663 114993 510103 14387 14910 19495 166535 42924 72326 11577 318404 954949 78461 40760 493716 1433416 111457 19387 163624 11394 48287 169953 16165 16104 15080 114509 8284 74358 38565 23482 66609 10965 17329 53237 686368 15606 2115221 280069 43346 24419 158501 110504 739916 9158 9996 180545 44891 544923 52181 28038 149583 472744 145953 24892 181058 76428 5575 4489 6722 7611 1665200 112248 560965 12875 43679 6046 243462 120337 156276 8221 55467 744034 46729 6764 8861 24251 49415 9942 549070 196466 1676284 98436 153794 7986 49410 80892 25430 40318 99289 5534 20950 120538 9016 132943 44954 76811 689166 46665 357717 8076 110466 110428 380361 69552 10190 2922527 81174 509846 9450 20637 57447 96160 45073 543144 186121 4410 233932 13745 142554 202636 558464 6532 117842 206666 150781 268670 268349 17587 8788 57551 1361988 1645625 5379 55988 214883 8595 1668702 11878 383473 911097 170314 1853139 105338 10134 9980 139462 70525 698462 323412 122265 76775 4889 41572 214110 146209 17861 84462 51564 25479 59504 386181 1771530 874540 75674 thyroxine 140143 140064 140013 137194 139910 145691 135110 126053 139422 139293 140260 135527 145122 144458 137552 133171 145874 145365 136804 137459 155217 153015 146188 145272 143406 138032 140515 138267 138135 139889 138967 139408 140505 138502 140287 141256 140178 138813 139508 139732 139123 139795 139833 139577 139720 137362 139391 142946 139675 139581 138513 139622 139560 139823 139897 140204 139955 140808 137707 132874 135551 125816 127753 142080 139720 136320 132271 141502 139968 129775 130096 147333 191162 101347 115646 122708 137576 157474 99534 172178 131748 138632 129262 152741 148803 104543 129586 175189 180526 134121 155092 92701 192467 169188 136167 111173 85730 122145 212591 164113 159272 145765 104955 153341 140771 138558 145882 270883 86345 132479 141852 145513 169457 133968 168733 157618 146146 149886 129231 109698 194510 138689 111308 149541 175788 151369 149120 124810 122451 139740 136995 144398 142260 130515 179085 148389 151072 141160 156303 109840 138246 172926 149719 148943 126499 165940 147511 161271 180 620 680 161679 111909 123135 165246 174700 131706 141053 155367 91800 108738 204610 148259 84142 132625 118513 96093 159110 232221 133503 118895 133026 144923 122129 93205 179370 162580 174711 126021 105993 146093 127322 102164 98522 153980 110242 119593 150752 134320 173402 124897 172546 142575 102913 177322 144642 114461 139730 129984 184162 120435 117059 115053 153497 129777 100984 100430 130762 171824 142450 148827 145574 138969 137060 111508 111859 135472 122716 150941 134817 157804 120807 142315 113342 186804 119354 165430 156964 138275 163410 157244 139673 157674 109929 142764 177781 176705 153974 110405 95730 122342 151470 123642 135900 124818 150784 144000 90574 167513 145927 156291 136104 126356 153744 123151 197483 trans-cyclohexane-1,2-diol 6080 6931 6845 6405 6628 6417 6205 6473 6043 6597 5676 5644 11612 27409 33747 11064 7940 4113 18093 24155 7855 4499 8990 11856 7004 6621 6619 6213 6571 6892 6557 6544 6462 6113 6503 7337 6527 7063 6542 6554 6540 6859 6573 6790 7043 6519 6921 6869 7656 6826 6584 6462 6398 6914 6446 7149 6509 7348 6544 6665 5780 5813 5231 6169 4771 3439 3630 3176 2734 1990 1661 7282 4296 3202 2062 564 2658 2571 2180 2337 4343 5180 3041 2599 4246 4115 5420 2186 2022 6734 2433 2169 1472 7606 3414 97402 4580 5878 3424 4745 3195 1549 2462 3848 972 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524635 252408 411951 288308 344274 317565 421381 249483 301083 326286 363744 331676 289930 387529 387299 350269 506618 370342 535462 492507 388732 451529 229103 303721 305029 367602 302716 764985 360617 253614 420819 86191 378363 317835 437440 273469 391896 363483 327171 416395 269610 343948 379824 377174 417847 522318 426253 257810 362005 387072 349657 279758 420289 384021 328020 263574 351449 295127 208001 456374 399482 258859 304315 460352 415345 390926 424831 328850 347030 427689 310505 377604 428658 208995 261587 378554 573569 319624 278097 302444 337187 538532 296706 299416 318259 332042 614844 527981 371264 429003 tyrosine 579811 579256 574287 565659 576395 608404 570762 499293 565065 581717 571546 560762 617904 607404 460766 481466 726235 707423 537972 536245 736537 713385 582005 600367 585962 574875 570275 566249 569197 582479 574542 570603 573002 569820 570201 606211 580644 573022 575042 566420 566357 575961 578190 566717 568002 563816 570537 601793 579298 563131 550539 572238 575151 562132 564513 578039 578492 573105 558377 597208 578666 452516 440946 748362 762552 618150 599835 742945 750242 589516 618891 397786 824981 534844 603059 847933 483433 448502 831977 929612 399262 491516 877442 603369 877160 575626 593497 922880 728875 545232 548631 501272 667132 565509 782918 802808 548605 647635 602995 967987 939641 498222 611980 711140 589077 816922 834128 612017 491825 574698 601395 528360 758308 463265 469492 746341 554498 1097327 593865 633218 574311 603320 634527 844759 659791 692216 598768 437119 793742 640854 552934 516810 702692 442115 711567 774693 471275 614068 654191 587688 505747 479863 478736 682664 658467 1252952 778432 554041 139 554 343 530762 459686 670732 1037140 534568 617980 534743 622069 504652 542376 580036 647274 462952 675149 709132 447339 466082 500423 656474 763990 637867 751737 609267 583296 366100 484027 844872 703292 605040 423455 602437 678986 423966 462172 949060 535344 785224 657434 443613 562083 603280 631696 359565 598584 434272 475338 594814 700554 475185 732148 501540 491895 568149 638578 782547 769824 657890 426589 567567 496086 382612 543014 510693 535178 413423 693265 825603 681484 521595 552819 633669 463010 617169 591631 400712 477306 406487 575336 765346 617083 811435 545638 859499 494653 599302 694321 388487 529892 613126 690926 395573 816498 489628 752054 527837 577954 652882 513012 756212 293303 793710 454114 619866 476943 613027 uracil 89448 88133 85818 83051 91268 95367 87582 80100 87930 90634 88438 84540 64432 63276 65985 63752 83844 98886 75225 82887 101888 99932 97739 82370 85289 89628 85736 84764 87690 87599 87053 88862 88686 84938 88392 91812 87517 87707 86999 92883 87035 86949 88608 90665 85353 86415 88060 81522 86820 89982 90519 84489 88192 85630 87359 89575 85132 89871 87026 57243 55287 55910 48877 59702 60904 55599 61349 72533 70452 70132 70040 100679 83332 112605 88873 92478 100610 102353 81737 50487 156742 105296 80949 138751 79907 126331 101586 100746 41417 152461 100796 120904 129319 83021 102189 102384 127261 111217 77491 85208 109680 116529 99223 79342 118574 79915 134909 131915 72671 183581 139354 121535 139074 117690 111693 148996 117593 61902 85810 83582 117801 137781 102746 75198 100664 98594 101833 124040 95142 98672 127906 90432 74434 101942 129838 78778 139831 105845 163136 113686 109645 99134 131469 106494 105285 81510 89568 133049 1097 1850 1345 135540 118986 74298 66836 111761 151768 117497 104513 113134 125010 111756 83678 106442 96183 82548 132020 133509 110883 121689 90460 117521 89452 106839 107908 148504 126756 66670 125713 100428 114775 160799 130527 161155 111353 100410 89557 81651 104503 116733 86716 144024 83822 104648 170215 131672 98801 56930 141633 115277 120828 52451 83683 81120 54957 73875 66388 63399 133085 115424 101435 90464 151482 153495 98485 123368 102359 50122 60839 88880 105513 89335 120075 106107 112898 106050 55691 135825 105032 111294 129774 90216 117583 66597 148681 117528 100795 147979 71239 83629 79523 135583 76094 155169 86113 179670 132698 102533 104401 61642 156798 86993 138021 63335 94531 121540 urate 8782963 8699376 8725739 8615951 8607537 8628405 8565281 8140576 8609286 8622076 8588243 8441210 9928815 9874343 8814302 8914463 11999348 11842348 9552254 9571913 11905547 11747559 9929632 9841266 8651908 8651878 8615592 8591270 8632060 8595882 8610891 8581123 8690789 8655434 8506463 8819439 8727879 8649236 8656840 8604659 8614017 8619606 8647160 8598719 8781079 8592509 8701796 8870683 8791642 8666331 8547742 8622526 8594474 8671814 8604060 8625485 8646498 8744455 8683737 10315658 10244508 9099210 8975048 11982800 12090046 10194279 10134532 12261188 12178651 10628257 10709809 10458386 11119804 6621388 6827694 11396827 6403922 6583959 10820352 11633094 6909216 10889921 7783069 10248640 6520815 10905228 9787296 7599710 8057360 9500628 10249233 11110712 7167811 8407980 10207958 10832027 8993767 14432230 11075013 8068684 9866237 6506673 10334939 10310316 6421912 5189291 7881710 8927323 10941088 11174621 10084338 12212969 11288459 7752313 10304936 11388564 10979681 8038241 8115340 7118230 11066748 7186108 9293149 10731294 9585271 15121417 12031632 9397542 13436044 7374548 11305280 8425380 6570524 9406168 12663180 8826833 9873500 8786375 8690669 7570936 9045740 9221959 6742897 11951832 8811924 6050892 9884692 9533645 15731 22018 11570 8385050 7383628 8237825 11069455 7732699 7010385 8819955 9333220 12400492 11378843 12422230 6642164 11026927 11250026 6846847 10874126 6424940 11493037 11833085 13155949 10114861 10468310 6442405 11332885 8876549 9896036 12067760 8378164 9283576 8995286 7650548 12896513 8246364 9443569 7308314 14393052 9722446 7878255 9004707 13417969 6628233 8482688 10310392 10588059 10904049 9915131 8687277 13450304 7913067 12625305 9891839 10211002 7446185 8103962 11763884 9542949 8110757 10161682 13359785 8506765 8478326 13540884 10740200 15297468 10138318 9326745 13292711 15367065 8632735 9533360 10376747 10147526 12047891 7808257 7513050 10974339 11887640 8092907 8608928 7363430 9429028 6240783 8376148 9194442 9526866 8317705 9324842 11000420 9516626 8112490 7062068 9248723 9032648 7827547 5502324 8864572 12491285 13659689 6962735 8873904 11476080 11304290 6944611 14119913 8105005 uridine 217514 214760 218554 210013 208144 220234 210142 205221 226418 218475 217542 218534 143203 146372 117476 118326 180845 173939 147272 143578 225757 213238 172163 169448 226075 218179 224677 219300 216127 220401 218764 223405 219427 222336 219796 224042 213761 224842 218916 218322 220887 219934 219811 211794 213934 226568 222321 217246 221321 220439 219284 219879 217867 220440 219443 220606 218470 216129 220866 119309 115252 99009 93514 176229 166852 127744 132237 188577 183551 146925 144777 240128 261777 236868 246193 266773 219107 240640 227672 219808 342107 234205 240470 363837 244894 288561 281676 317874 146984 369255 261232 267644 321454 193231 275884 279509 284632 296037 217631 264901 363068 278796 263621 270210 293955 295290 356454 280012 178958 396789 344577 287295 391840 250820 216222 369462 338979 221529 227172 220161 284789 339181 319549 208940 259906 290293 260928 304125 248203 268285 305057 238512 216924 223666 307775 273011 300468 295582 417895 299132 224734 214369 317391 276012 326608 279653 252417 301999 4012 3770 5204 297923 273163 202462 255051 266804 320841 271593 264870 291009 385345 237446 285209 225584 286013 218276 284977 301303 310289 310451 316439 290677 276852 309524 292051 278619 268042 238492 335386 319833 254227 414371 384298 313425 241267 286317 232850 325348 250028 233199 208711 310526 251302 211184 366577 301284 243053 176556 398753 244103 337370 157536 228876 277716 198613 213755 205135 219150 288579 321466 227251 199639 366136 340372 298062 253397 312497 183461 228113 202069 306506 268970 255617 302817 301441 202258 159128 243986 232856 327464 335127 246775 340104 296838 333504 356723 329957 288335 222796 295532 249606 296239 265837 376847 316409 393754 314741 300884 222080 226743 255653 330625 254363 211599 210028 326675 urobilin 46706 48059 45898 45076 45656 46449 43508 48024 40478 47224 46372 46826 58116 57049 53272 51229 109640 109640 109715 103796 68328 70248 68969 65474 46373 45324 45799 46692 46456 44571 48283 44562 46148 46084 47191 44438 44354 46078 46648 47682 44591 46369 46950 44746 45188 46154 46625 49196 46627 43210 44411 42721 39264 43225 47973 41432 47973 48982 45860 75113 68480 64949 64658 107452 107349 106604 106543 84146 97895 72051 80171 64690 177230 22673 20804 28669 45301 28220 5961 377739 43061 33827 40212 17644 9015 33904 13835 17225 7054 58451 305554 19033 15436 168783 25479 135450 72089 303098 210300 21011 46770 129220 41676 12399 45359 131848 173772 110107 68243 85448 65666 17925 22017 109309 39754 37028 560025 10907 25625 67194 531742 82265 23980 152545 31527 49537 50470 167216 99403 14931 46180 200860 45937 128875 181343 255645 46370 16065 17825 76799 130314 57829 21798 31652 16706 15337 12513 22276 1307 714 723 59275 8152 97196 31059 28401 25320 42729 120092 72947 34177 25766 14142 42447 81886 44466 231867 23073 61629 40044 35585 33684 38954 24436 22338 34774 54237 24261 23786 257525 18751 30167 45467 45950 343075 51333 85292 21217 13746 46065 24513 57181 67392 144946 22025 99761 152861 16792 40722 14614 17798 22776 25332 15843 65418 96668 22038 67554 36209 87667 139862 254491 30230 18024 21834 33798 18208 39383 149400 392584 250426 28552 114944 21649 37004 27561 142352 23613 26862 62600 16189 152897 47633 119299 25423 33961 20438 58407 42394 26672 43082 51556 51258 13497 36089 311589 40874 58713 464333 37575 268027 18521 164605 60318 90183 47422 urobilinogen 67920 68135 66441 67904 69310 66795 63694 65905 64671 62923 66625 67275 77339 74849 67858 68420 153898 150357 144680 146742 99809 98726 105634 104515 66139 64913 65410 66190 65814 65506 66874 65732 66093 67352 66854 65629 67537 64911 67095 66003 66876 68325 66326 67456 64860 65151 65214 68912 64897 66377 66347 62426 64841 65313 66581 67701 66173 65246 66155 71063 69875 64485 65093 92711 93552 91081 96004 91607 98518 82369 85595 31677 45434 83135 18853 64233 62146 38137 35127 61688 171684 39049 50975 64030 72459 30313 19278 19662 149426 37817 502885 40979 69208 96848 120176 28715 30502 10432 56345 166347 104596 23219 9068 91685 25370 27503 43030 16615 119228 96260 35710 151221 184293 25943 18231 12880 42490 191407 35611 96443 988445 18808 48810 276299 68226 32451 47189 142060 34892 96416 308902 509501 138310 37956 164681 35238 126951 61803 26184 11321 164742 229366 70432 56881 32005 49872 117611 35151 1658 1652 1097 116771 12223 59381 39041 320065 34137 39929 53267 42751 59989 16057 59014 16507 31295 39278 15629 32557 612888 20561 38688 132277 47576 89724 60714 59190 685191 114318 87523 67848 256257 29693 73372 35666 40942 25913 68704 41724 85654 60351 42855 34665 100898 34932 54832 166172 162317 92524 47075 30977 86037 39261 36176 288028 83002 39167 21161 82110 31348 58535 126888 257465 13976 20703 75439 74069 81072 83186 784126 1130819 48363 211890 100716 27544 23687 65233 42267 23146 406949 39437 694887 182359 80903 95170 36350 79655 39457 29169 30449 29302 38754 32237 24877 32400 31170 162156 33483 32644 38143 225358 32788 58552 216983 89727 45135 111723 ursodeoxycholate 501785 468329 471827 481812 509401 481281 447127 454572 478152 472414 473250 465907 816618 994469 642308 687429 273893 264404 288231 309096 262038 282217 207763 255297 497247 486844 482459 465425 463973 456541 471533 474050 481677 463182 473964 474006 477383 474870 480511 473499 471764 474008 473627 471368 470561 475179 477110 483173 471252 477855 466925 474955 471036 480649 472721 474764 472925 476545 478230 1129338 1275388 838741 1232679 61381 60936 55679 56097 278893 278662 280784 280978 121251 116180 161179 438851 223312 210575 121082 229496 349623 92237 247032 226226 151763 147204 251659 140839 120210 205362 192532 118262 206485 110234 178969 305878 674476 273199 313688 152915 203518 171103 155770 172835 176437 144104 260247 244947 145156 93948 374907 165682 253740 403900 183867 120641 116964 271668 477840 522593 379273 315532 322211 148978 83973 160169 60251 161456 167622 40981 204458 44078 333891 960282 153601 295319 2445703 84740 441459 76219 350336 150399 686778 181693 516749 693711 218475 216771 69538 4073 4175 5519 101980 273169 272657 548017 739166 99569 132512 650896 263786 47425 600899 175129 301075 602395 293565 529559 76071 311071 74288 1068174 128332 157062 231063 39128 147783 188564 251322 357597 1546714 263586 135566 391036 102286 162722 180637 318238 102284 401152 193397 191046 391778 634144 344581 145360 307180 279409 407696 276607 143447 104167 354991 681464 502881 542099 375896 138107 312551 346697 438900 1716124 446486 88100 146552 190751 400607 191844 490695 92546 449508 144290 131400 270512 98169 128476 75478 378259 63135 196044 194131 297135 1057899 657615 659948 97313 671509 147928 174573 254572 157476 503637 110104 224769 109207 134747 42661 99192 144313 320138 483238 117443 417827 418660 867812 202257 163508 valine 3102416 3060592 3054626 2938758 3144910 3124209 3039420 2914383 3113128 3082400 3064095 3068717 3016139 2988933 2663722 2682363 3060471 3001767 2381483 2396226 3290715 3281041 2747797 2731688 3142108 3073207 3059706 3072123 3074647 3071577 3089973 3057516 3051813 3102497 3057396 3137019 3131402 3088806 3057407 3052806 3060597 3071787 3088246 3059752 3068512 3063657 3037090 3109450 3104027 3043719 3045459 3058743 3056722 3068074 3061198 3071980 3071978 3024369 3042468 2681620 2635625 2277806 2202019 2985825 2971207 2346915 2336389 3006746 3010309 2488135 2526107 3747803 2485290 4953005 3089554 3341366 4123988 2643130 3183522 3369213 2352975 3122570 4250018 3197179 1952415 2894887 2892854 3518073 2868364 3305318 3929276 2449801 3464747 3216904 4242400 3171285 3902866 4209441 2896923 3446396 3468986 4235542 2899767 2605233 4366816 3152630 4046726 4010903 3829284 4832025 4048935 3312278 3969772 3794760 3751100 3396776 3736688 3426230 2764311 3372553 4956401 3223888 4006992 3676018 4549528 2824415 3244196 3063079 2716119 3904095 4014978 3061488 4449485 3640095 4088866 3187260 4094456 3445618 4055419 2837144 3648938 3677343 3338584 3149560 2796835 2849535 3197318 2968320 38341 31441 35460 3469388 3352602 2950011 3720906 2722537 3763905 3581365 5058532 3997630 3461614 2791943 2659944 3639510 4294024 3681314 3667645 2456816 3982021 3410366 4247295 2989582 3283602 3707866 2359587 4697946 3028058 3515198 3749000 4020928 2195073 2848761 4386207 3196884 5328882 2974273 3397135 3713092 3842895 3191818 3070895 2213665 4052199 3990538 3346984 3642531 5206805 3679740 3801391 2772564 4126449 4140245 4263961 3384189 3735211 3203461 2943781 3015417 3190201 3509058 3500336 3011431 3873857 3323782 4211835 3681063 3350651 4119886 3104604 3600179 3039194 3476348 5374418 3614967 4864595 3540843 4576684 3317255 4524539 2583446 3024314 2770169 3722373 3522239 2997549 3970586 2821189 2768359 3825245 3235240 4340177 2747438 3060119 3548929 3584837 3059094 2939554 2964086 3739241 4729388 4306594 1759111 2298904 4435663 2872730 4209518 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Feature quantitated m/z Retention times Formula Neutral Mass Library RT Delta RT Delta Mass super_class main_class sub_class HMDB mw_regno case KEGG ID chebi PUBCHEM ID lipidmaps_id inchi_key named Type Merged Idx Index Derivations Derived Molecular Mass Charge Carrier Adduct/NL Match Replicate Redundancy Group Group Size Average Mass 1-methylurate 1-methylurate 183.052476 2.77 C6H6N4O3 182.04399 2.68 0.09 0.00121 Nucleic acids Purines Xanthines HMDB0003099 38249 708-79-2 C16359 149558 69726 QFDRTQONISXGJA-UHFFFAOYSA-N x +/UA 798 190 182.045200 + 1.007276 182.0452 H 1 182.0452 2-acetylpyrrolidine 2-acetylpyrrolidine 114.091476 4 C6H11NO 113.08406 4.09 -0.09 0.00014 Organoheterocyclic compounds Pyrroles and derivatives Pyrrolidines HMDB0037293 60026-20-2 550747 FYCFJMPASVKULQ-UHFFFAOYSA-N x +/PI 89 89 [113.0842 + 1.007276] 113.0842 H 1 113.0842 2-deoxyglucose 2-deoxyglucose 165.076176 0.71 C6H12O5 164.0684735 0.74 -0.03 0.0004265 Fatty acyls fatty alcohols HMDB0062477 154-17-6 C00586 15866 108223 VRYALKFFQXWPIH-PBXRRBTRSA-N x +/UA 703 95 164.068900 + 1.007276 164.0689 H 1 164.0689 2-hydroxy-3-methylbutyrate 2-hydroxy-3-methylbutyrate 119.068976 3.66 C5H10O3 118.06299 3.57 0.09 -0.00129 Fatty acyls Fatty acids Hydroxy FA HMDB0000407 1507 4026-18-0 60645 853180 NGEWQZIDQIYUNV-BYPYZUCNSA-N x +/UA 985 377 118.061700 + 1.007276 118.0617 H 1 118.0617 2-piperidinone 2-piperidinone 100.073976 3.04 C5H9NO 99.06841 2.99 0.05 -0.00171 Organoheterocyclic compounds Piperidines and derivatives Piperidinones HMDB0011749 41518 675-20-7 110273 12665 XUWHAWMETYGRKB-UHFFFAOYSA-N x +/PI 55 55 [99.0667 + 1.007276] 99.0667 H 1 99.0667 3-hydroxyphenyl-valerate 3-hydroxyphenyl-valerate 195.100576 9.2 C11H14O3 194.09429 9.1 0.1 -0.00099 Fatty acyls Fatty acids Hydroxy FA HMDB0041666 10559720 CMLIEOOXQFWANJ-UHFFFAOYSA-N x +/UA 4820 4212 194.093300 + 1.007276 194.0933 H 1 194.0933 3-indolepropionate Indole-3-propanoic acid 190.086176 6.67 C11H11NO2 189.0797 6.59 0.08 -0.0008 Organoheterocyclic compounds Indolyl carboxylic acids Indolyl carboxylic acids HMDB0002302 38116 830-96-6 43580 3744 GOLXRNDWAUTYKT-UHFFFAOYSA-N x +/UA 1627 1019 189.078900 + 1.007276 189.0789 H 1 189.0789 5-hydroxymethyluracil 5-hydroxymethyluracil 143.037376 4.39 C5H6N2O3 142.03784 4.72 -0.33 -0.00774 Nucleic acids Pyrimidines Pyrimidines HMDB0000469 37265 4433-40-3 C03088 16964 78168 JDBGXEHEIRGOBU-UHFFFAOYSA-N x +/UA 1107 499 142.030100 + 1.007276 142.0301 H 1 142.0301 5'-methylthioadenosine 5'-methylthioadenosine 298.097076 4 C11H15N5O3S 297.08956 3.87 0.13 0.00024 Nucleic acids Purines Purine ribonucleosides HMDB0001173 37638 2457-80-9 C00170 17509 439176 WUUGFSXJNOTRMR-IOSLPCCCSA-N x +/UA 1040 432 297.089800 + 1.007276 297.0898 H 1 297.0898 acetaminophen acetaminophen 152.071876 3.35 C8H9NO2 151.0638 3.27 0.08 0.0008 Benzenoids Phenols Aminophenols HMDB0001859 37895 103-90-2 46195 1983 RZVAJINKPMORJF-UHFFFAOYSA-N x +/UA 890 282 151.064600 + 1.007276 151.0646 H 1 151.0646 adipate adipate 147.063176 3.66 C6H10O4 146.05791 3.6 0.06 -0.00201 Fatty acyls Fatty acids Dicarboxylic acids HMDB0000448 1970 0124-04-09 C06104 30832 196 WNLRTRBMVRJNCN-UHFFFAOYSA-N x +/UA 984 376 146.055900 + 1.007276 146.0559 H 1 146.0559 Ala-Leu Ala-Leu 203.140176 2.59 C9H18N2O3 202.1331 2.55 0.04 -0.0002 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0028691 71654 259583 RDIKFPRVLJLMER-UHFFFAOYSA-N x +/UA 791 183 202.132900 + 1.007276 202.1329 H 1 202.1329 alanine alanine 90.055376 0.7 C3H7NO2 89.04768 0.6 0.1 0.00042 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000161 37109 56-41-7 C00041 16977 5950 QNAYBMKLOCPYGJ-REOHCLBHSA-N x +/UA 707 99 89.048100 + 1.007276 89.0481 H 1 89.0481 alpha-tocopherol alpha-tocopherol 431.388176 13.29 C29H50O2 430.3814 13.3 -0.01 -0.0005 Prenol Lipids Quinones and hydroquinones Tocopherols HMDB0001893 71847 59-02-9 C02477 18145 14985 GVJHHUAWPYXKBD-IEOSBIPESA-N x +/PI 425 425 [430.3809 + 1.007276] 430.3809 H 1 430.3809 aminobutyrate aminobutyrate 104.072076 0.71 C4H9NO2 103.06333 0.7 0.01 0.00147 Fatty acyls Fatty acids Amino FA x +/UA 709 101 103.064800 + 1.007276 103.0648 H 1 103.0648 aspartate-13C4 UNK_137.0461@0.706 138.053476 0.71 [13C]4H7NO4 137.0509271 0.6 0.11 -0.0047271 +/UA 665 57 137.046200 + 1.007276 137.0462 H 1 237 3 137.0462 Asp-Leu Asp-Leu 247.127976 3.32 C10H18N2O5 246.12157 3.26 0.06 -0.00087 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0028757 ZVDPYSVOZFINEE-UHFFFAOYSA-N x +/UA 887 279 246.120700 + 1.007276 246.1207 H 1 246.1207 azelaate azelaate 189.112176 6.69 C9H16O4 188.10486 6.6 0.09 4.00E-05 Organic acids and derivatives Organic dicarboxylic acids Organic dicarboxylic acids HMDB0000784 1976 123-99-9 C08261 48131 2266 BDJRBEYXGGNYIS-UHFFFAOYSA-N x +/UA 1719 1111 188.104900 + 1.007276 188.1049 H 1 188.1049 benzylbutylphthalate benzylbutylphthalate 313.145276 10.23 C19H20O4 312.13616 10.17 0.06 0.00184 Benzenoids Benzoic acids Benzoic acid esters 85-68-7 C14211 34595 2347 IRIAEXORFWYRCZ-UHFFFAOYSA-N x +/PI 546 546 [312.1380 + 1.007276] 312.138 H 1 312.138 bilirubin UNK_584.2646@8.072 585.270509 8.0713 C33H36N4O6 584.26348 7.9 0.1713 -0.00028 Organoheterocyclic compounds Tetrapyrroles and derivatives Tetrapyrroles HMDB0000054 37047 635-65-4 C00486 16990 5280352 BPYKTIZUTYGOLE-IFADSCNNSA-N +/PI 229 229 [584.2632 + 1.007276] 584.2632 H 1 3886 3 584.263233 biliverdin biliverdin 583.255976 9.32 C33H34N4O6 582.24783 9.12 0.2 0.00087 Organoheterocyclic compounds Bilirubins Bilirubins HMDB0001008 50741 114-25-0 C00500 17033 5280353 QBUVFDKTZJNUPP-BBROENKCSA-N x +/PI 296 296 [582.2487 + 1.007276] 582.2487 H 1 582.2487 bis(2-ethylhexyl)phthalate bis(2-ethylhexyl)phthalate 391.286576 11.87 C24H38O4 390.27701 11.84 0.03 0.00229 Benzenoids Benzoic acids Benzoic acid esters 117-81-7 C03690 17747 8343 BJQHLKABXJIVAM-UHFFFAOYSA-N x +/PI 496 496 [390.2793 + 1.007276] 390.2793 H 1 390.2793 caffeine caffeine 195.091476 4.69 C8H10N4O2 194.08038 4.61 0.08 0.00382 Nucleic acids Purines Xanthines HMDB0001847 37886 58-08-2 C07481 27732 2519 RYYVLZVUVIJVGH-UHFFFAOYSA-N x +/UA 1250 642 194.084200 + 1.007276 194.0842 H 1 194.0842 Car(10:1) Car(10:1) 314.233776 7.68 C17H31NO4 313.22531 7.603 0.077 0.00119 Fatty acyls Fatty esters Acyl carnitines 66215 x +/PI 258 258 [313.2265 + 1.007276] 313.2265 H 1 313.2265 Car(11:0) Car(11:0) 330.263976 8.49 C18H35NO4 329.25661 8.417 0.073 9.00E-05 Fatty acyls Fatty esters Acyl carnitines HMDB0013321 x +/PI 153 153 [329.2567 + 1.007276] 329.2567 H 1 329.2567 Car(12:0) Car(12:0) 344.279476 8.94 C19H37NO4 343.27226 8.97 -0.03 -6.00E-05 Fatty acyls Fatty esters Acyl carnitines HMDB0002250 168381 25518-54-1 77086 168381 FUJLYHJROOYKRA-QGZVFWFLSA-N x +/PI 283 283 [343.2722 + 1.007276] 343.2722 H 1 343.2722 Car(12:1) Car(12:1) 342.264176 8.68 C19H35NO4 341.25661 8.568 0.112 0.00029 Fatty acyls Fatty esters Acyl carnitines HMDB0013326 42298 53481671 LMFA07070024 JEOZLTJHDSKQIT-KRWDZBQOSA-N x +/PI 259 259 [341.2569 + 1.007276] 341.2569 H 1 341.2569 Car(14:2) Car(14:2) 368.271976 8.75 C21H37NO4 367.27226 8.94 -0.19 -0.00756 Fatty acyls Fatty esters Acyl carnitines HMDB0013331 66225 89746 53481681 LMFA07070020 HXOGMKPCIDSSKJ-NKBLVAAJSA-N x +/UA 2772 2164 367.264700 + 1.007276 367.2647 H 1 367.2647 Car(16:1) Car(16:1) 398.325776 9.86 C23H43NO4 397.31921 9.78 0.08 -0.00071 Fatty acyls Fatty esters Acyl carnitines HMDB0006317 66230 x +/UA 3128 2520 397.318500 + 1.007276 397.3185 H 1 397.3185 Car(16:2) Car(16:2) 396.302876 9.63 C23H41NO4 395.3034 9.49 0.14 -0.0078 Fatty acyls Fatty esters Acyl carnitines 42306 LMFA07070021 x +/UA 3081 2473 395.295600 + 1.007276 395.2956 H 1 395.2956 Car(16:3) Car(16:3) 394.301776 10.58 C23H39NO4 Fatty acyls Fatty esters Acyl carnitines x +/UA 3321 2713 0 393.2945 Car(18:0) Car(18:0) 428.373776 10.51 C25H49NO4 427.36616 10.43 0.08 0.00034 Fatty acyls Fatty esters Acyl carnitines HMDB0000848 4488 25597-09-05 84644 6426855 FNPHNLNTJNMAEE-UHFFFAOYSA-N x +/PI 454 454 [427.3665 + 1.007276] 427.3665 H 1 427.3665 Car(18:1) Car(18:1) 426.359276 10.26 C25H47NO4 425.35051 10.19 0.07 0.00149 Fatty acyls Fatty esters Acyl carnitines HMDB0005065 52707 38677-66-6 84651 53477789 ASTZXVSQSSBFOS-FRHQNKJESA-N x +/PI 451 451 [425.3520 + 1.007276] 425.352 H 1 425.352 Car(18:2) Car(18:2) 424.349976 9.71 C25H45NO4 423.33486 9.65 0.06 0.00784 Fatty acyls Fatty esters Acyl carnitines HMDB0006469 66236 36816-10-1 84098 6450015 MJLXQSQYKZWZCB-DQFWFXSYSA-N x +/UA 3150 2542 423.342700 + 1.007276 423.3427 H 1 423.3427 Car(4:0) Car(4:0) 232.154376 3.12 C11H21NO4 231.14706 3.14 -0.02 4.00E-05 Fatty acyls Fatty esters Acyl carnitines HMDB0002013 4483 25576-40-3 C02862 21949 x +/UA 875 267 231.147100 + 1.007276 231.1471 H 2 231.1471 Car(4:0,3-CH3) UNK_245.1631@3.977 246.170501 3.9806 C12H23NO4 245.16271 3.91 0.0706 0.000515 Fatty acyls Fatty esters Acyl carnitines HMDB0000378 37227 73025 6426901 LMFA07070034 IHCPDBBYTYJYIL-UHFFFAOYSA-N +/UA 1036 428 245.163225 + 1.007276 245.163225 H 1 1173 3 245.163225 Car(5:0) Car(5:0) 246.170476 4.04 C12H23NO4 245.16271 3.98 0.06 0.00049 Fatty acyls Fatty esters Acyl carnitines HMDB0000688 42216 31023-24-2 73025 53481619 LMFA07070111 x +/PI 88 88 [245.1632 + 1.007276] 245.1632 H 3 245.1632 Car(8:0) Car(8:0) 288.219476 6.82 C15H29NO4 287.20966 6.821 -0.001 0.00254 Fatty acyls Fatty esters Acyl carnitines HMDB0000791 4482 25243-95-2 C02838 18102 11953814 CXTATJFJDMJMIY-CYBMUJFWSA-N x +/UA 2762 2154 287.212200 + 1.007276 287.2122 H 1 287.2122 Car(9:0)@7.27 Car(9:0) 302.232976 7.27 C16H31NO4 301.22531 7.288 -0.018 0.00039 Fatty acyls Fatty esters Acyl carnitines HMDB0013288 42281 70997 53481660 MPSPNFAQQQMFLK-UHFFFAOYSA-N x +/UA 2363 1755 301.225700 + 1.007276 301.2257 H 1 301.2257 Car(9:0)@7.41 UNK_301.2257@7.414 302.232843 7.4016 C16H31NO4 301.22531 7.288 0.1136 0.000257 Fatty acyls Fatty esters Acyl carnitines HMDB0013288 42281 70997 53481660 MPSPNFAQQQMFLK-UHFFFAOYSA-N +/UA 1640 1032 301.225567 + 1.007276 301.225567 H 1 1709 3 301.225567 carnitine carnitine 162.113076 0.68 C7H15NO3 161.10519 0.67 0.01 0.00061 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts HMDB0000062 541-15-1 C00318 11060 2724480 PHIQHXFUZVPYII-ZCFIWIBFSA-N x +/PI 28 28 [161.1058 + 1.007276] 161.1058 H 1 161.1058 cholate cholate 409.274576 10.73 C24H40O5 Sterol Lipids Bile acids C24 bile acids x +/PI 472 472 [408.2673 + 1.007276] 408.2673 H 0 408.2673 cholesterol cholesterol 369.352076 13.41 C27H44 368.3443 13.39 0.02 0.0005 Sterol Lipids Sterols HMDB0000067 34361 57-88-5 C00187 1307929 LMST01010001 HVYWMOMLDIMFJA-DPAQBDIFSA-N x +/PI 563 563 [368.3448 + 1.007276] 368.3448 H 1 368.3448 choline choline 104.107376 0.66 C5H13NO 103.09971 0.612 0.048 0.00039 Organic nitrogen compounds Cholines Cholines HMDB0000097 37073 62-49-7 C00114 15354 305 OEYIOHPDSNJKLS-UHFFFAOYSA-N x +/PI 27 27 [103.1001 + 1.007276] 103.1001 H 1 103.1001 cortisol cortisol 363.216276 7.78 C21H30O5 362.20932 7.726 0.054 -0.00032 Sterol Lipids Steroids C21 steroids HMDB0000063 35388 50-23-7 C00735 17650 5754 JYGXADMDTFJGBT-VWUMJDOOSA-N x +/UA 2370 1762 362.209000 + 1.007276 362.209 H 1 362.209 cortisone@7.57 cortisone 361.202276 7.57 C21H28O5 360.19367 7.515 0.055 0.00133 Sterol Lipids Steroids C21 steroids HMDB0002802 35394 53-06-5 C00762 16962 222786 MFYSYFVPBJMHGN-ZPOLXVRWSA-N x +/UA 2368 1760 360.195000 + 1.007276 360.195 H 1 360.195 cortisone@7.71 UNK_360.2126@7.708 361.219909 7.6977 C21H28O5 360.19367 7.515 0.1827 0.018963 Sterol Lipids Steroids C21 steroids HMDB0002802 35394 53-06-5 C00762 16962 222786 MFYSYFVPBJMHGN-ZPOLXVRWSA-N +/UA 2328 1720 360.212633 + 1.007276 360.212633 H 1 2260 3 360.212633 creatine creatine 132.077076 0.7 C4H9N3O2 131.06948 0.68 0.02 0.00032 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000064 37054 57-00-1 C00300 16919 586 CVSVTCORWBXHQV-UHFFFAOYSA-N x +/PI 30 30 [131.0698 + 1.007276] 131.0698 H 1 131.0698 deoxycholate deoxycholate 393.299476 10.64 C24H40O4 392.29266 10.52 0.12 -0.00046 Sterol Lipids Bile acids C24 bile acids HMDB0000626 36282 83-44-3 C04483 28834 222528 KXGVEGMKQFWNSR-LLQZFEROSA-N x +/PI 325 325 [392.2922 + 1.007276] 392.2922 H 1 392.2922 deoxyguanosine deoxyguanosine 268.103676 1.94 C10H13N5O4 267.09675 2.2 -0.26 -0.00035 Nucleic acids Purines Purine deoxyribonucleosides HMDB0000085 37066 0961-07-09 C00330 17172 187790 YKBGVTZYEHREMT-KVQBGUIXSA-N x +/UA 769 161 267.096400 + 1.007276 267.0964 H 1 267.0964 DG(32:0) DG(32:0) 569.514476 14.97 C35H68O5 568.50668 14.97 0 0.00052 Glycerolipids Diradylglycerols x +/PI 594 594 [568.5072 + 1.007276] 568.5072 H 1 568.5072 DG(32:1) DG(32:1) 567.498776 14.2 C35H66O5 566.49103 14.212 -0.012 0.00047 Glycerolipids Diradylglycerols x +/PI 586 586 [566.4915 + 1.007276] 566.4915 H 1 566.4915 DG(34:1) DG(34:1) 595.531176 15.2 C37H70O5 594.52233 15.2 0 0.00157 Glycerolipids Diradylglycerols x +/PI 598 598 [594.5239 + 1.007276] 594.5239 H 1 594.5239 DG(34:2) DG(34:2) 593.514876 14.47 C37H68O5 592.50668 14.5 -0.03 0.00092 Glycerolipids Diradylglycerols x +/PI 589 589 [592.5076 + 1.007276] 592.5076 H 1 592.5076 DG(36:2)>DG(18:1_18:1_0:0) DG(36:2)DG(18:1_18:1_0:0) 621.546376 15.61 C39H72O5 620.53798 15.48 0.13 0.00112 Glycerolipids Diradylglycerols x +/PI 599 599 [620.5391 + 1.007276] 620.5391 H 1 620.5391 DG(36:3) DG(36:3) 619.530076 14.69 C39H70O5 618.52233 14.71 -0.02 0.00047 Glycerolipids Diradylglycerols x +/PI 591 591 [618.5228 + 1.007276] 618.5228 H 1 618.5228 diethylphthalate@8.27 diethylphthalate 223.120076 8.27 C12H14O4 x +/PI 280 280 [222.1128 + 1.007276] 222.1128 H 0 222.1128 diethylphthalate@8.51 UNK_222.0892@8.507 223.095343 8.4929 C12H14O4 222.08921 8.214 0.2789 -0.001143 Benzenoids Benzoic acids Benzoic acid esters HMDB0094660 84-66-2 34698 6781 FLKPEMZONWLCSK-UHFFFAOYSA-N +/UA 1672 1064 222.088067 + 1.007276 222.088067 H 1 920 3 222.088067 dUMP dUMP 309.048476 1.03 C9H13N2O8P 308.04095 1.07 -0.04 0.00025 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleoside monophosphates HMDB0001409 37779 964-26-1 C00365 17622 65063 JSRLJPSBLDHEIO-SHYZEUOFSA-N x +/UA 725 117 308.041200 + 1.007276 308.0412 H 1 308.0412 edetate edetate 293.088076 0.71 C10H16N2O8 292.09067 0.67 0.04 -0.00987 Organic acids and derivatives Carboximidic acids and derivatives Tetracarboxylic acids HMDB0015109 43228 62-33-9 C00284 6049 KCXVZYZYPLLWCC-UHFFFAOYSA-N x +/UA 708 100 292.080800 + 1.007276 292.0808 H 1 292.0808 epibrassinolide epibrassinolide 481.352576 9.84 C28H48O6 480.34509 9.78 0.06 0.00021 x +/PI 295 295 [480.3453 + 1.007276] 480.3453 H 1 480.3453 FA(12:0-NH2) FA(12:0-NH2) 216.195976 8.06 C12H25NO2 215.18853 7.996 0.064 0.00017 Fatty acyls Fatty acids Amino FA x +/PI 130 130 [215.1887 + 1.007276] 215.1887 H 1 215.1887 FA(18:1) FA(18:1) 283.282176 11.37 C18H34O2 282.25588 11.65 -0.28 0.01902 Fatty acyls Fatty acids HMDB0000207 437 112-80-1 C00712 16196 ZQPPMHVWECSIRJ-KTKRTIGZSA-N x +/UA 5482 4874 282.274900 + 1.007276 282.2749 H 1 282.2749 FA(18:2) FA(18:2) 281.250276 11.45 C18H32O2 280.24023 11.44 0.01 0.00277 Fatty acyls Fatty acids HMDB0000673 553 60-33-3 C01595 17351 OYHQOLUKZRVURQ-HZJYTTRNSA-N x +/PI 372 372 [280.2430 + 1.007276] 280.243 H 1 280.243 FA(8:0, 2-NH2) FA(8:0, 2-NH2) 160.132076 5.06 C8H17NO2 159.12593 5.01 0.05 -0.00113 Fatty acyls Fatty acids Amino FA HMDB0000991 1880 644-90-6 75145 69522 AKVBCGQVQXPRLD-UHFFFAOYSA-N x +/UA 1279 671 159.124800 + 1.007276 159.1248 H 1 159.1248 gamma-glutamylisoleucine gamma-glutamylisoleucine 261.132776 4.06 C11H20N2O5 260.13722 4.1 -0.04 -0.01172 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0011171 65027 2566-39-4 68433 151023 MYFMARDICOWMQP-YUMQZZPRSA-N x +/PI 90 90 [260.1255 + 1.007276] 260.1255 H 2 260.1255 gamma-glutamylleucine gamma-glutamylleucine 261.144276 4.16 C11H20N2O5 260.13722 4.1 0.06 -0.00022 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0011171 65027 2566-39-4 68433 151023 MYFMARDICOWMQP-YUMQZZPRSA-N x +/PI 93 93 [260.1370 + 1.007276] 260.137 H 2 260.137 gamma-glutamylmethionine N-gammaGlutamylmethionine 279.100676 2.83 C10H18N2O5S 278.09364 2.78 0.05 -0.00024 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0034367 46505 17663-87-5 82965 13894652 RQNSKRXMANOPQY-UHFFFAOYSA-N x +/PI 46 46 [278.0934 + 1.007276] 278.0934 H 1 278.0934 gamma-glutamyltyrosine gamma-glutamyltyrosine 311.128676 3.17 C14H18N2O6 310.11649 3.09 0.08 0.00491 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0011741 41513 7432-23-7 82969 94340 VVLXCWVSSLFQDS-QWRGUYRKSA-N x +/UA 876 268 310.121400 + 1.007276 310.1214 H 1 310.1214 gibberellic acid gibberellic acid 347.150476 5.7 C19H22O6 346.14164 5.6 0.1 0.00156 x +/UA 2849 2241 346.143200 + 1.007276 346.1432 H 1 346.1432 glucose glucose 181.071476 0.64 C6H12O6 180.06339 0.77 -0.13 0.00081 Carbohydrates Monosaccharides Monosaccharides HMDB0000122 37084 50-99-7 C00031 4167 5793 WQZGKKKJIJFFOK-GASJEMHNSA-N x +/PI 25 25 [180.0642 + 1.007276] 180.0642 H 1 180.0642 Glu-Phe Glu-Phe 295.129176 4.37 C14H18N2O5 294.12157 4.31 0.06 0.00033 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0028826 37326 111299 XHHOHZPNYFQJKL-QWRGUYRKSA-N x +/PI 95 95 [294.1219 + 1.007276] 294.1219 H 1 294.1219 glutamine glutamine 147.076576 0.63 C5H10N2O3 146.06914 0.61 0.02 0.00016 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000641 37346 56-85-9 C00064 18050 5961 ZDXPYRJPNDTMRX-VKHMYHEASA-N x +/PI 31 31 [146.0693 + 1.007276] 146.0693 H 1 146.0693 glycochenodeoxycholate glycochenodeoxycholate 450.322176 10.03 C26H43NO5 449.31412 10.1 -0.07 0.00078 Sterol Lipids Bile acids C24 bile acids HMDB0006898 36980 C05462 12544 GHCZAUBVMUEKKP-GYPHWSFCSA-N x +/PI 545 545 [449.3149 + 1.007276] 449.3149 H 1 449.3149 glycocholate glycocholate 466.316576 9.54 C26H43NO6 465.30904 9.48 0.06 0.00026 Sterol Lipids Bile acids C24 bile acids HMDB0000138 36974 475-31-0 C01921 29746 10140 RFDAIACWWDREDC-FRVQLJSFSA-N x +/PI 293 293 [465.3093 + 1.007276] 465.3093 H 1 465.3093 hippurate hippurate 180.065876 4.32 C9H9NO3 179.05824 4.27 0.05 0.00036 Benzenoids Benzamides Hippuric acids HMDB0000714 37382 495-69-2 C01586 18089 464 QIAFMBKCNZACKA-UHFFFAOYSA-N x +/PI 96 96 [179.0586 + 1.007276] 179.0586 H 1 179.0586 hypoxanthine hypoxanthine 137.045976 1.36 C5H4N4O 136.03851 1.33 0.03 0.00019 Nucleic acids Purines Hypoxanthines HMDB0000157 37106 68-94-0 C00262 17368 790 FDGQSTZJBFJUBT-UHFFFAOYSA-N x +/UA 750 142 136.038700 + 1.007276 136.0387 H 1 136.0387 Ile-Pro Leu-Pro 229.154776 2.08 C11H20N2O3 228.14739 2.03 0.05 0.00011 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0011174 342734 BBIXOODYWPFNDT-UHFFFAOYSA-N x +/UA 771 163 228.147500 + 1.007276 228.1475 H 2 228.1475 Ile-Val Ile-Val 231.171176 3.54 C11H22N2O3 230.16304 3.5 0.04 0.00086 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0028920 78855 435949 BCXBIONYYJCSDF-UHFFFAOYSA-N x +/UA 915 307 230.163900 + 1.007276 230.1639 H 1 230.1639 indole-3-lactate indole-3-lactate 206.081776 5.48 C11H11NO3 205.07389 5.41 0.07 0.00061 Organoheterocyclic compounds Indolyl carboxylic acids Indolyl carboxylic acids HMDB0000671 92904 1821-52-9 C02043 24813 XGILAAMKEQUXLS-UHFFFAOYSA-N x +/UA 2350 1742 205.074500 + 1.007276 205.0745 H 1 205.0745 indole-3-methyl acetate indole-3-methyl acetate 190.085876 7.1 C11H11NO2 189.07898 7.075 0.025 -0.00038 Organoheterocyclic compounds Indolyl carboxylic acids Indole-3-acetic acid derivatives HMDB0029738 44026 1912-33-0 72782 74706 KTHADMDGDNYQRX-UHFFFAOYSA-N x +/UA 2803 2195 189.078600 + 1.007276 189.0786 H 1 189.0786 indoleacetate indoleacetate 176.070876 5.92 C10H9NO2 175.06333 5.84 0.08 0.00027 Organoheterocyclic compounds Indolyl carboxylic acids Indole-3-acetic acid derivatives HMDB0000197 37131 87-51-4 C00954 16411 802 SEOVTRFCIGRIMH-UHFFFAOYSA-N x +/UA 1602 994 175.063600 + 1.007276 175.0636 H 1 175.0636 inosine inosine 269.088676 2.49 C10H12N4O5 268.08077 2.43 0.06 0.00063 Nucleic acids Purines Purine ribonucleosides HMDB0000195 37130 58-63-9 C00294 17596 6021 UGQMRVRMYYASKQ-KQYNXXCUSA-N x +/PI 44 44 [268.0814 + 1.007276] 268.0814 H 1 268.0814 kynurenine kynurenine 209.093876 2.71 C10H12N2O3 208.0847923 2.66 0.05 0.0018077 Organic oxygen compounds Butyrophenones Butyrophenones HMDB0000684 37365 2922-83-0 C00328 16946 161166 YGPSJZOEDVAXAB-QMMMGPOBSA-N x +/UA 797 189 208.086600 + 1.007276 208.0866 H 1 208.0866 lenticin lenticin 247.144576 3.87 C14H18N2O2 246.13683 3.79 0.08 0.00047 Organoheterocyclic compounds Indoles and derivatives Tryptamines HMDB0061115 49923 487-58-1 C09213 442106 AOHCBEAZXHZMOR-ZDUSSCGKSA-N x +/PI 86 86 [246.1373 + 1.007276] 246.1373 H 1 246.1373 leucine leucine+isoleucine 132.099076 1.92 C6H13NO2 131.0946287 1.95 -0.03 -0.0028287 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000687 42493 61-90-5 C00123 15603 6106 ROHFNLRQFUQHCH-YFKPBYRVSA-N x +/UA 767 159 131.091800 + 1.007276 131.0918 H 3 131.0918 Leu-Ile Leu-Ile 245.186776 4.92 C12H24N2O3 244.17869 4.87 0.05 0.00081 Organic acids and derivatives Amino acids and peptides Dipeptides 7010533 AZLASBBHHSLQDB-GUBZILKMSA-N x +/PI 125 125 [244.1795 + 1.007276] 244.1795 H 1 244.1795 lysine lysine 147.113776 0.53 C6H14N2O2 146.10553 0.52 0.01 0.00097 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000182 37121 56-87-1 C00047 18019 5962 KDXKERNSBIXSRK-YFKPBYRVSA-N x +/UA 610 2 146.106500 + 1.007276 146.1065 H 1 146.1065 mesobilirubinogen mesobilirubinogen 593.332976 7.14 C33H44N4O6 592.3260852 7.052 0.088 -0.0003852 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins HMDB0001898 14684-37-8 C05790 29026 8085 OBHRVMZSZIDDEK-UHFFFAOYSA-N x +/UA 2365 1757 592.325700 + 1.007276 592.3257 H 1 592.3257 methionine methionine 150.058676 1.11 C5H11NO2S 149.05105 1.12 -0.01 0.00035 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000696 37371 63-68-3 C00073 16643 6137 FFEARJCKVFRZRR-BYPYZUCNSA-N x +/UA 726 118 149.051400 + 1.007276 149.0514 H 1 149.0514 MG(16:0_0:0_0:0) MG(16:0_0:0_0:0) 331.285276 11.35 C19H38O4 330.27701 11.33 0.02 0.00099 Glycerolipids Monoradylglycerols x +/PI 551 551 [330.2780 + 1.007276] 330.278 H 1 330.278 MG(18:1_0:0_0:0) MG(18:1_0:0_0:0) 357.300976 11.44 C21H40O4 356.2934 11.43 0.01 0.0003 Glycerolipids Monoradylglycerols 5774 x +/PI 356 356 [356.2937 + 1.007276] 356.2937 H 1 356.2937 monoethylhexyl phthalate monoethylhexyl phthalate 279.160676 10.22 C16H22O4 278.15181 10.21 0.01 0.00159 Benzenoids Benzoic acids Benzoic acid esters HMDB0013248 42273 4376-20-9 C03343 17243 20393 DJDSLBVSSOQSLW-UHFFFAOYSA-N x +/PI 317 317 [278.1534 + 1.007276] 278.1534 H 1 278.1534 N2,N2-dimethylguanosine N2,N2-dimethylguanosine 312.131876 3.55 C12H17N5O5 311.12297 3.47 0.08 0.00163 Nucleic acids Purines Purine deoxyribonucleosides HMDB0004824 38557 2140-67-2 19289 92919 RSPURTUNRHNVGF-IOSLPCCCSA-N x +/UA 905 297 311.124600 + 1.007276 311.1246 H 1 311.1246 N-acetylserine N-acetylserine 148.056976 1.26 C5H9NO4 147.05316 1.02 0.24 -0.00346 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0002931 38225 16354-58-8 45441 65249 JJIHLJJYMXLCOY-BYPYZUCNSA-N x +/UA 746 138 147.049700 + 1.007276 147.0497 H 1 147.0497 niacinamide niacinamide 123.055276 1.33 C6H6N2O 122.04801 1.25 0.08 -1.00E-05 Organoheterocyclic compounds Pyridines and derivatives Nicotinamides HMDB0001406 37778 98-92-0 C00153 17154 936 DFPAKSUCGFBDDF-UHFFFAOYSA-N x +/UA 749 141 122.048000 + 1.007276 122.048 H 1 122.048 N-lauroylglycine N-lauroylglycine 258.209076 9.25 C14H27NO3 257.19909 9.18 0.07 0.00271 Organic acids and derivatives Amino acids and peptides N-acyl-alpha amino acids HMDB0013272 74441 346152 JWGGSJFIGIGFSQ-UHFFFAOYSA-N x +/UA 3200 2592 257.201800 + 1.007276 257.2018 H 1 257.2018 N-undecanoylglycine N-undecanoylglycine 244.191276 8.46 C13H25NO3 243.18344 8.392 0.068 0.00056 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0013286 42279 74438 454092 HEUQYIQQCNOXOG-UHFFFAOYSA-N x +/PI 142 142 [243.1840 + 1.007276] 243.184 H 1 243.184 oleamide oleamide 282.279676 11.37 C18H35NO 281.27186 11.33 0.04 0.00054 Fatty acyls Fatty amides Primary amides HMDB0002117 4494 301-02-0 C19670 116314 5283387 FATBGEAMYMYZAF-KTKRTIGZSA-N x +/PI 491 491 [281.2724 + 1.007276] 281.2724 H 1 281.2724 pantothenate pantothenate 220.121576 3.41 C9H17NO5 219.11067 3.36 0.05 0.00363 Organic acids and derivatives Amino acids and peptides Beta amino acids HMDB0000210 49832 79-83-4 C00864 7916 6613 GHOKWGTUZJEAQD-ZETCQYMHSA-N x +/PI 63 63 [219.1143 + 1.007276] 219.1143 H 1 219.1143 PC(14:0)>PC(14:0_0:0) PC(14:0)PC(14:0_0:0) 468.312976 10.66 C22H46NO7P 467.30119 10.52 0.14 0.00451 Glycerophospholipids Glycerophosphocholines HMDB0010379 14991 20559-16-4 C04230 64489 460604 LMGP01050012 VXUOFDJKYGDUJI-OAQYLSRUSA-N x +/UA 3280 2672 467.305700 + 1.007276 467.3057 H 1 467.3057 PC(15:0)>PC(15:0_0:0) PC(15:0)PC(15:0_0:0) 482.336776 11.02 C23H48NO7P 481.31684 10.79 0.23 0.01266 Glycerophospholipids Glycerophosphocholines HMDB0010381 C04230 580912 LMGP01050016 RJZVWDTYEWCUAR-JOCHJYFZSA-N x +/UA 3756 3148 481.329500 + 1.007276 481.3295 H 1 481.3295 PC(16:0)>PC(16:0_0:0) PC(16:0)PC(16:0_0:0) 496.340976 11.09 C24H50NO7P 495.33249 11.01 0.08 0.00121 Glycerophospholipids Glycerophosphocholines HMDB0010382 14994 C04230 LMGP01050018 ASWBNKHCZGQVJV-HSZRJFAPSA-N x +/PI 547 547 [495.3337 + 1.007276] 495.3337 H 1 495.3337 PC(16:1)>PC(16:1_0:0) PC(16:1)PC(16:1_0:0) 494.325676 10.77 C24H48NO7P 493.31684 10.68 0.09 0.00156 Glycerophospholipids Glycerophosphocholines HMDB0010383 76790-27-7 C04230 LMGP01050021 LFUDDCMNKWEORN-BREAQWACSA-N x +/PI 313 313 [493.3184 + 1.007276] 493.3184 H 1 493.3184 PC(17:0)>PC(17:0_0:0) PC(17:0)PC(17:0_0:0) 510.356276 11.3 C25H52NO7P 509.34814 11.23 0.07 0.00086 Glycerophospholipids Glycerophosphocholines HMDB0012108 C04230 580913 LMGP01050024 SRRQPVVYXBTRQK-XMMPIXPASA-N x +/UA 3727 3119 509.349000 + 1.007276 509.349 H 1 509.349 PC(18:1)>PC(18:1_0:0)@11.21 PC(18:1)PC(18:1_0:0) 522.356076 11.21 C26H52NO7P 521.34814 11.13 0.08 0.00066 Glycerophospholipids Glycerophosphocholines x +/PI 346 346 [521.3488 + 1.007276] 521.3488 H 1 521.3488 PC(18:1)>PC(18:1_0:0)@11.11 UNK_521.3489@11.109 522.356309 11.1218 C26H52NO7P 521.34814 11.13 -0.0082 0.000893 Glycerophospholipids Glycerophosphocholines +/UA 5347 4739 521.349033 + 1.007276 521.349033 H 1 3471 3 521.349033 PC(18:2)>PC(18:2_0:0) PC(18:2)PC(18:2_0:0) 520.340776 10.95 C26H50NO7P 519.33249 10.87 0.08 0.00101 Glycerophospholipids Glycerophosphocholines HMDB0010386 C04230 LMGP01059AAY CLDXAAPENVNFAW-JRMAHNDFSA-N x +/PI 481 481 [519.3335 + 1.007276] 519.3335 H 1 519.3335 PC(20:0)>PC(20:0_0:0) PC(20:0)PC(20:0_0:0) 552.403376 11.84 C28H58NO7P 551.39509 11.75 0.09 0.00101 Glycerophospholipids Glycerophosphocholines HMDB0010390 108341-80-6 C04230 LMGP01050045 UATOAILWGVYRQS-HHHXNRCGSA-N x +/PI 503 503 [551.3961 + 1.007276] 551.3961 H 1 551.3961 PC(20:3)>PC(20:3_0:0)@11.46 PC(20:3)PC(20:3_0:0) 546.354576 11.46 C28H52NO7P 545.34814 11.44 0.02 -0.00084 Glycerophospholipids Glycerophosphocholines HMDB0010394 1006703-11-2 C04230 LMGP01050133 BBNHCUBQEQJHIG-FZZJNMCHSA-N x +/PI 347 347 [545.3473 + 1.007276] 545.3473 H 1 545.3473 PC(20:3)>PC(20:3_0:0)@11.60 UNK_545.3472@11.602 546.355243 11.5965 C28H52NO7P 545.34814 11.44 0.1565 -0.000173 Glycerophospholipids Glycerophosphocholines HMDB0010394 1006703-11-2 C04230 LMGP01050133 BBNHCUBQEQJHIG-FZZJNMCHSA-N +/UA 3737 3129 545.347967 + 1.007276 545.347967 H 1 3622 3 545.347967 PC(20:3)>PC(20:3_0:0)@11.38 UNK_545.3475@11.387 546.354076 11.3886 C28H52NO7P 545.34814 11.44 -0.0514 -0.00134 Glycerophospholipids Glycerophosphocholines HMDB0010394 1006703-11-2 C04230 LMGP01050133 BBNHCUBQEQJHIG-FZZJNMCHSA-N +/UA 6292 5684 545.346800 + 1.007276 545.3468 H 1 3621 3 545.3468 PC(20:3)>PC(20:3_0:0)@11.13 UNK_545.3493@11.127 546.356043 11.1149 C28H52NO7P 545.34814 11.44 -0.3251 0.00066 Glycerophospholipids Glycerophosphocholines HMDB0010394 1006703-11-2 C04230 LMGP01050133 BBNHCUBQEQJHIG-FZZJNMCHSA-N +/PI 484 484 [545.3488 + 1.007276] 545.3488 H 1 3624 3 545.348767 PC(20:4)>PC(20:4_0:0) PC(20:4)PC(20:4_0:0) 544.341376 10.92 C28H50NO7P 543.33249 10.85 0.07 0.00161 Glycerophospholipids Glycerophosphocholines HMDB0010395 C04230 LMGP01050048 LAXQYRRMGGEGOH-JXRLJXCWSA-N x +/PI 483 483 [543.3341 + 1.007276] 543.3341 H 1 543.3341 PC(28:0) PC(28:0) 678.504076 12.64 C36H72NO8P 677.49955 12.51 0.13 -0.00275 Glycerophospholipids Glycerophosphocholines x +/UA 6041 5433 677.496800 + 1.007276 677.4968 H 1 677.4968 PC(30:0) PC(30:0) 706.539376 13.13 C38H76NO8P 705.53085 12.96 0.17 0.00125 Glycerophospholipids Glycerophosphocholines 65303 x +/UA 4652 4044 705.532100 + 1.007276 705.5321 H 1 705.5321 PC(32:0) PC(32:0) 734.571276 13.67 C40H80NO8P 733.56216 13.54 0.13 0.00184 Glycerophospholipids Glycerophosphocholines x +/UA 6727 6119 733.564000 + 1.007276 733.564 H 1 733.564 PC(32:1) UNK_731.5478@13.219 732.555209 13.1752 C40H78NO8P 731.5465 13.07 0.1052 0.0014 Glycerophospholipids Glycerophosphocholines +/PI 542 542 [731.5479 + 1.007276] 731.5479 H 1 4661 3 731.547933 PC(32:2) UNK_729.5331@12.835 730.539376 12.8398 C40H76NO8P 729.53085 12.74 0.0998 0.00125 Glycerophospholipids Glycerophosphocholines +/PI 531 531 [729.5321 + 1.007276] 729.5321 H 1 4650 3 729.5321 PC(33:2) PC(33:2) 744.553976 13.07 C41H78NO8P 743.5465 12.97 0.1 0.0002 Glycerophospholipids Glycerophosphocholines x +/PI 420 420 [743.5467 + 1.007276] 743.5467 H 1 743.5467 PC(34:1) PC(34:1) 760.586876 13.79 C42H82NO8P 759.57781 13.66 0.13 0.00179 Glycerophospholipids Glycerophosphocholines x +/PI 569 569 [759.5796 + 1.007276] 759.5796 H 1 759.5796 PC(34:2) PC(34:2) 758.571176 13.39 C42H80NO8P 757.56216 13.25 0.14 0.00174 Glycerophospholipids Glycerophosphocholines x +/PI 567 567 [757.5639 + 1.007276] 757.5639 H 1 757.5639 PC(34:3) PC(34:3) 756.555276 12.93 C42H78NO8P 755.5465 12.94 -0.01 0.0015 Glycerophospholipids Glycerophosphocholines x +/PI 414 414 [755.5480 + 1.007276] 755.548 H 1 755.548 PC(35:2) PC(35:2) 772.585676 13.66 C43H82NO8P 771.57781 13.56 0.1 0.00059 Glycerophospholipids Glycerophosphocholines x +/UA 6728 6120 771.578400 + 1.007276 771.5784 H 1 771.5784 PC(36:2) PC(36:2) 786.602476 14.07 C44H84NO8P 785.59346 13.9 0.17 0.00174 Glycerophospholipids Glycerophosphocholines HMDB0008039 C00157 6441487 FORFDCPQKJHEBF-VPUSDGANSA-N x +/PI 583 583 [785.5952 + 1.007276] 785.5952 H 1 785.5952 PC(36:3) PC(36:3) 784.586676 13.48 C44H82NO8P 783.57781 13.39 0.09 0.00159 Glycerophospholipids Glycerophosphocholines x +/UA 6725 6117 783.579400 + 1.007276 783.5794 H 1 783.5794 PC(36:4)@13.08 PC(36:4) 782.571076 13.08 C44H80NO8P 781.56216 12.99 0.09 0.00164 Glycerophospholipids Glycerophosphocholines x +/PI 411 411 [781.5638 + 1.007276] 781.5638 H 1 781.5638 PC(36:4)@13.26 UNK_781.5639@13.253 782.570576 13.2555 C44H80NO8P 781.56216 12.99 0.2655 0.00114 Glycerophospholipids Glycerophosphocholines +/UA 4650 4042 781.563300 + 1.007276 781.5633 H 1 4923 3 781.5633 PC(38:6) PC(38:6) 806.571176 13.19 C46H80NO8P 805.56216 13.11 0.08 0.00174 Glycerophospholipids Glycerophosphocholines x +/PI 539 539 [805.5639 + 1.007276] 805.5639 H 1 805.5639 PC(40:6) PC(40:6) 834.601976 13.84 C48H84NO8P 833.59346 13.74 0.1 0.00124 Glycerophospholipids Glycerophosphocholines x +/UA 6729 6121 833.594700 + 1.007276 833.5947 H 1 833.5947 PC(40:8) PC(40:8) 830.568276 13.41 C48H80NO8P 829.56216 13.31 0.1 -0.00116 Glycerophospholipids Glycerophosphocholines x +/UA 6673 6065 829.561000 + 1.007276 829.561 H 1 829.561 PE(18:0)>PE(18:0_0:0) PE(18:0)PE(18:0_0:0) 482.326876 11.34 C23H48NO7P 481.31684 11.5 -0.16 0.00276 Glycerophospholipids Glycerophosphoethanolamines HMDB0011130 75036 9547068 LMGP02050001 BBYWOYAFBUOUFP-JOCHJYFZSA-N x +/UA 5484 4876 481.319600 + 1.007276 481.3196 H 1 481.3196 phenylalanine UNK_165.0648@2.935 166.072109 2.9281 C9H11NO2 165.0789786 2.9 0.0281 -0.0141786 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000159 37108 63-91-2 C00079 17295 6140 COLNVLDHVKWLRT-QMMMGPOBSA-N +/PI 50 50 [165.0648 + 1.007276] 165.0648 H 1 430 3 165.064833 Phe-Phe Phe-Phe 313.155876 5.6 C18H20N2O3 312.14739 5.5 0.1 0.00121 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0013302 2577-40-4 356630 GKZIWHRNKRBEOH-HOTGVXAUSA-N x +/PI 206 206 [312.1486 + 1.007276] 312.1486 H 1 312.1486 Phe-Trp Phe-Trp 352.166276 5.56 C20H21N3O3 351.15829 5.48 0.08 0.00071 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0029006 74751 JMCOUWKXLXDERB-UHFFFAOYSA-N x +/UA 2347 1739 351.159000 + 1.007276 351.159 H 1 351.159 picolinate picolinate 124.044976 0.94 C6H5NO2 123.03203 0.97 -0.03 0.00567 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids HMDB0002243 38092 98-98-6 C10164 28747 1018 SIOXPEMLGUPBBT-UHFFFAOYSA-N x +/UA 718 110 123.037700 + 1.007276 123.0377 H 1 123.0377 pipecolate pipecolate 130.086476 1.04 C6H11NO2 129.0789786 1.03 0.01 0.0002214 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000070 37384 535-75-1 C00408 17964 439227 HXEACLLIILLPRG-YFKPBYRVSA-N x +/PI 34 34 [129.0792 + 1.007276] 129.0792 H 1 129.0792 piperine piperine 286.146976 9.24 C17H19NO3 285.13649 9.16 0.08 0.00321 Alkaloids and derivatives Alkaloids Other alkaloids HMDB0029377 43799 94-62-2 C03882 28821 638024 MXXWOMGUGJBKIW-YPCIICBESA-N x +/PI 289 289 [285.1397 + 1.007276] 285.1397 H 1 285.1397 proline proline 116.070976 0.71 C5H9NO2 115.06333 0.7 0.01 0.00037 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000162 37110 147-85-3 C00148 17203 145742 ONIBWKKTOPOVIA-BYPYZUCNSA-N x +/PI 29 29 [115.0637 + 1.007276] 115.0637 H 1 115.0637 Pro-Phe Pro-Phe 263.147176 4.74 C14H18N2O3 262.13174 4.69 0.05 0.00816 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0011179 IWIANZLCJVYEFX-RYUDHWBXSA-N x +/PI 120 120 [262.1399 + 1.007276] 262.1399 H 1 262.1399 pyridoxamine pyridoxamine 169.095076 0.54 C8H12N2O2 168.08988 0.57 -0.03 -0.00208 Organoheterocyclic compounds Pyridoxamines Pyridoxamines HMDB0001431 37796 85-87-0 C00534 16410 1052 NHZMQXZHNVQTQA-UHFFFAOYSA-N x +/PI 1 1 [168.0878 + 1.007276] 168.0878 H 1 168.0878 pyroglutamate pyroglutamate 130.049476 1.42 C5H7NO3 129.04259 1.44 -0.02 -0.00039 Organoheterocyclic compounds Pyrroles and derivatives Pyrroline carboxylic acids HMDB0000267 37171 98-79-3 C01879 18183 7405 ODHCTXKNWHHXJC-VKHMYHEASA-N x +/UA 751 143 129.042200 + 1.007276 129.0422 H 1 129.0422 S-allylcysteine S-allylcysteine 162.058276 2.44 C6H11NO2S 161.05105 2.35 0.09 -5.00E-05 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0034323 46487 21593-77-1 C16759 98280 ZFAHNWWNDFHPOH-UHFFFAOYSA-N x +/UA 781 173 161.051000 + 1.007276 161.051 H 1 161.051 sebacate sebacate 203.127176 7.8 C10H18O4 202.12051 7.7 0.1 -0.00061 Organic acids and derivatives Organic dicarboxylic acids Organic dicarboxylic acids HMDB0000792 1930 111-20-6 C08277 41865 5192 CXMXRPHRNRROMY-UHFFFAOYSA-N x +/UA 3005 2397 202.119900 + 1.007276 202.1199 H 1 202.1199 Ser-Leu Ser-Leu 219.123076 3.06 C9H18N2O4 218.12666 2.99 0.07 -0.01086 Organic acids and derivatives Amino acids and peptides Dipeptides HMDB0094712 NFDYGNFETJVMSE-BQBZGAKWSA-N x +/UA 866 258 218.115800 + 1.007276 218.1158 H 1 218.1158 serotonin serotonin 177.102576 2.44 C10H12N2O 176.09496 2.17 0.27 0.00034 Organoheterocyclic compounds Tryptamines Serotonins HMDB0000259 37167 50-67-9 C00780 28790 5202 QZAYGJVTTNCVMB-UHFFFAOYSA-N x +/UA 782 174 176.095300 + 1.007276 176.0953 H 1 176.0953 SM(d32:1) SM(d32:1) 675.545276 12.54 C37H75N2O6P 674.53627 12.44 0.1 0.00173 Sphingolipids Phosphosphingolipids HMDB0012097 11433862 KYICBZWZQPCUMO-PSALXKTOSA-N x +/PI 403 403 [674.5380 + 1.007276] 674.538 H 1 674.538 SM(d32:2) SM(d32:2) 673.528676 12.25 C37H73N2O6P 672.52062 12.16 0.09 0.00078 Sphingolipids Phosphosphingolipids x +/PI 557 557 [672.5214 + 1.007276] 672.5214 H 1 672.5214 SM(d34:2) SM(d34:2) 701.561176 12.64 C39H77N2O6P 700.55192 12.55 0.09 0.00198 Sphingolipids Phosphosphingolipids x +/PI 402 402 [700.5539 + 1.007276] 700.5539 H 1 700.5539 SM(d35:1)@13.16 SM(d35:1) 717.589176 13.16 C40H81N2O6P 716.5832248 13.14 0.02 -0.0013248 Sphingolipids Phosphosphingolipids x +/UA 4656 4048 716.581900 + 1.007276 716.5819 H 1 716.5819 SM(d35:1)@13.25 UNK_716.5832@13.298 717.590209 13.2547 C40H81N2O6P 716.5832248 13.14 0.1147 -0.0002918 Sphingolipids Phosphosphingolipids +/UA 6147 5539 716.582933 + 1.007276 716.582933 H 1 4601 3 716.582933 SM(d36:1) SM(d36:1) 731.607476 13.59 C41H83N2O6P 730.59887 13.47 0.12 0.00133 Sphingolipids Phosphosphingolipids HMDB0001348 5283588 LKQLRGMMMAHREN-YJFXYUILSA-O x +/PI 568 568 [730.6002 + 1.007276] 730.6002 H 1 730.6002 SM(d36:2) SM(d36:2) 729.592176 13.13 C41H81N2O6P 728.58322 13.03 0.1 0.00168 Sphingolipids Phosphosphingolipids HMDB0012101 6443882 NBEADXWAAWCCDG-QDDWGVBQSA-N x +/PI 413 413 [728.5849 + 1.007276] 728.5849 H 1 728.5849 SM(d36:3) SM(d36:3) 727.573876 12.78 C41H79N2O6P 726.56757 12.67 0.11 -0.00097 Sphingolipids Phosphosphingolipids x +/UA 4565 3957 726.566600 + 1.007276 726.5666 H 1 726.5666 SM(d38:1) SM(d38:1) 759.638576 14.42 C43H87N2O6P 758.63018 14.26 0.16 0.00112 Sphingolipids Phosphosphingolipids HMDB0012102 44260124 AADLTHQNYQJHQV-SVLGDMRNSA-N x +/PI 578 578 [758.6313 + 1.007276] 758.6313 H 1 758.6313 SM(d40:1) SM(d40:1) 787.670376 15.38 C45H91N2O6P 786.6614751 15.2 0.18 0.0016249 Sphingolipids Phosphosphingolipids x +/PI 596 596 [786.6631 + 1.007276] 786.6631 H 1 786.6631 SM(d40:2) SM(d40:2) 785.653576 14.6 C45H89N2O6P 784.6458251 14.44 0.16 0.0004749 Sphingolipids Phosphosphingolipids x +/PI 590 590 [784.6463 + 1.007276] 784.6463 H 1 784.6463 SM(d42:2) SM(d42:2) 813.686276 15.47 C47H93N2O6P 812.67713 15.29 0.18 0.00187 Sphingolipids Phosphosphingolipids x +/PI 597 597 [812.6790 + 1.007276] 812.679 H 1 812.679 sn-glycero-3-phosphocholine sn-glycero-3-phosphocholine 258.111276 0.64 C8H20NO6P 257.10282 0.76 -0.12 0.00118 Organic acids and derivatives Phosphate esters Monoalkyl phosphates HMDB0000086 58812 28319-77-9 C00670 16870 657272 SUHOQUVVVLNYQR-MRVPVSSYSA-N x +/PI 32 32 [257.1040 + 1.007276] 257.104 H 1 257.104 sphinganine (C16) sphinganine (C16) 274.274276 8.71 C16H35NO2 273.26678 8.641 0.069 0.00022 Sphingolipids Sphingoid bases x +/UA 2673 2065 273.267000 + 1.007276 273.267 H 1 273.267 sphinganine (C18) sphinganine (C18) 302.305576 9.97 C18H39NO2 301.2980795 9.785 0.185 0.0002205 Sphingolipids Sphingoid bases HMDB0000269 764-22-7 C00836 16566 91486 LMSP01020001 OTKJDMGTUTTYMP-ZWKOTPCHSA-N x +/PI 469 469 [301.2983 + 1.007276] 301.2983 H 1 301.2983 sphingosine (C18) sphingosine (C18) 300.289776 9.83 C18H37NO2 299.28243 9.8 0.03 7.00E-05 Sphingolipids Sphingoid bases HMDB0000252 123-78-4 C00319 16393 5353955 LMSP01010001 WWUZIQQURGPMPG-KRWOKUGFSA-N x +/PI 446 446 [299.2825 + 1.007276] 299.2825 H 1 299.2825 sphingosine-1P (C18) sphingosine-1P (C18) 380.258376 10.67 C18H38NO5P 379.24876 10.59 0.08 0.00234 Sphingolipids Sphingoid bases HMDB0000277 26993-30-6 C06124 37550 DUYSYHSSBDVJSM-KRWOKUGFSA-N x +/UA 3307 2699 379.251100 + 1.007276 379.2511 H 1 379.2511 suberate suberate 175.096176 5.74 C8H14O4 174.08921 5.684 0.056 -0.00031 Organic acids and derivatives Organic dicarboxylic acids Organic dicarboxylic acids HMDB0000893 1925 505-48-6 C08278 9300 10457 TYFQFVWCELRYAO-UHFFFAOYSA-N x +/PI 168 168 [174.0889 + 1.007276] 174.0889 H 1 174.0889 theobromine UNK_180.0653@3.531 181.072709 3.5223 C7H8N4O2 180.06473 3.45 0.0723 0.00067 Nucleic acids Purines Xanthines HMDB0002825 38208 83-67-0 C07480 28946 5429 YAPQBXQYLJRXSA-UHFFFAOYSA-N +/PI 67 67 [180.0654 + 1.007276] 180.0654 H 1 537 3 180.065433 theophylline paraxanthine 181.072476 3.93 C7H8N4O2 180.06473 3.98 -0.05 0.00047 Nucleic acids Purines Xanthines HMDB0001889 37911 58-55-9 C07130 28177 2153 ZFXYFBGIUFBOJW-UHFFFAOYSA-N x +/PI 87 87 [180.0652 + 1.007276] 180.0652 H 2 180.0652 thyroxine thyroxine 777.692976 8.54 C15H11I4NO4 776.68668 8.43 0.11 -0.00098 Benzenoids Diarylethers Diarylethers HMDB0000248 37160 51-48-9 C01829 18332 5819 XUIIKFGFIJCVMT-LBPRGKRZSA-N x +/UA 2381 1773 776.685700 + 1.007276 776.6857 H 1 776.6857 trans-cyclohexane-1,2-diol trans-cyclohexane-1,2-diol 117.092076 3.72 C6H12O2 116.0837296 3.68 0.04 0.0010704 Organic oxygen compounds Secondary alcohols Cyclohexanols 49876 92886 PFURGBBHAOXLIO-PHDIDXHHSA-N x +/UA 931 323 116.084800 + 1.007276 116.0848 H 1 116.0848 tryptophan tryptophan 205.097776 3.66 C11H12N2O2 204.08988 3.6 0.06 0.00062 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000929 37505 73-22-3 C00078 16828 6305 QIVBCDIJIAJPQS-VIFPVBQESA-N x +/UA 954 346 204.090500 + 1.007276 204.0905 H 1 204.0905 tryptophan-15N2 tryptophan-15N2 207.093976 3.72 C11H12[15N]2O2 206.08395 3.6 0.12 0.00275 x +/UA 956 348 206.086700 + 1.007276 206.0867 H 1 206.0867 tyrosine tyrosine 182.067676 1.7 C9H11NO3 181.0738932 1.78 -0.08 -0.0134932 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000158 37107 60-18-4 C00082 17895 6057 OUYCCCASQSFEME-QMMMGPOBSA-N x +/UA 758 150 181.060400 + 1.007276 181.0604 H 1 181.0604 uracil uracil 113.030776 1.82 C4H4N2O2 112.02728 1.82 0 -0.00378 Nucleic acids Pyrimidines Pyrimidines HMDB0000300 37192 66-22-8 C00106 17568 1174 ISAKRJDGNUQOIC-UHFFFAOYSA-N x +/UA 762 154 112.023500 + 1.007276 112.0235 H 1 112.0235 urate urate 169.036576 1.26 C5H4N4O3 168.02834 1.24 0.02 0.00096 Nucleic acids Purines Xanthines HMDB0000289 37183 69-93-2 C00366 17775 1175 LEHOTFFKMJEONL-UHFFFAOYSA-N x +/UA 745 137 168.029300 + 1.007276 168.0293 H 1 168.0293 uridine uridine 245.067776 1.83 C9H12N2O6 244.06954 1.82 0.01 -0.00904 Nucleic acids Pyrimidines Pyrimidine ribonucleosides HMDB0000296 37190 58-96-8 C00299 16704 6029 DRTQHJPVMGBUCF-XVFCMESISA-N x +/UA 761 153 244.060500 + 1.007276 244.0605 H 1 244.0605 urobilin urobilin 595.347176 7.21 C33H46N4O6 594.34174 7.132 0.078 -0.00184 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins HMDB0004159 38482 34217-90-8 C05793 29023 5280818 TYOWQSLRVAUSMI-WKULSOCRSA-N x +/PI 217 217 [594.3399 + 1.007276] 594.3399 H 1 594.3399 urobilinogen urobilinogen 591.318076 7.1 C33H42N4O6 590.31044 7.014 0.086 0.00036 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins HMDB0004158 17208-65-0 C05791 4260 440784 KSQFFJKKJAEKTB-UHFFFAOYSA-N x +/UA 2364 1756 590.310800 + 1.007276 590.3108 H 1 590.3108 ursodeoxycholate ursodeoxycholate 393.311476 9.83 C24H40O4 392.294 9.7 0.13 0.0102 Sterol Lipids Bile acids C24 bile acids HMDB0000946 36275 128-13-2 C07880 9907 31401 RUDATBOHQWOJDD-UZVSRGJWSA-N x +/UA 3087 2479 392.304200 + 1.007276 392.3042 H 1 392.3042 valine valine 118.086576 0.68 C5H11NO2 117.0789786 0.96 -0.28 0.0003214 Organic acids and derivatives Amino acids and peptides Amino acids HMDB0000883 37484 72-18-4 C00183 16414 6287 KZSNJWFQEVHDMF-BYPYZUCNSA-N x +/PI 26 26 [117.0793 + 1.007276] 117.0793 H 1 117.0793 METABOLITES_END #END