#METABOLOMICS WORKBENCH lafrano_20211013_133024 DATATRACK_ID:2886 STUDY_ID:ST001948 ANALYSIS_ID:AN003171 PROJECT_ID:PR001235 VERSION 1 CREATED_ON October 13, 2021, 8:49 pm #PROJECT PR:PROJECT_TITLE Metabolites Associated with Gestational Diabetes in Plasma PR:PROJECT_SUMMARY Gestational diabetes mellitus (GDM) significantly increases maternal and fetal PR:PROJECT_SUMMARY health risks, but factors predictive of GDM are poorly understood. Plasma PR:PROJECT_SUMMARY metabolomics analyses were conducted in early pregnancy to identify potential PR:PROJECT_SUMMARY biomarkers for early prediction of Gestational Diabetes Mellitus (GDM). PR:PROJECT_SUMMARY Sixty-eight pregnant women with overweight/obesity from a clinical trial of a PR:PROJECT_SUMMARY lifestyle intervention were included. Participants who developed GDM (n=34; GDM PR:PROJECT_SUMMARY group) were matched on treatment group, age, body mass index, and ethnicity with PR:PROJECT_SUMMARY those who did not develop GDM (n=34; Non-GDM group). Blood draws were completed PR:PROJECT_SUMMARY early in pregnancy (10-16 weeks). Plasma samples were analyzed by UPLC-MS using PR:PROJECT_SUMMARY three metabolomics assays. PR:INSTITUTE Cal Poly St. Univ., San Luis Obispo PR:DEPARTMENT Food Science and Nutrition PR:LABORATORY Cal Poly Metabolomics Service Center PR:LAST_NAME La Frano PR:FIRST_NAME Michael PR:ADDRESS CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE, SAN LUIS OBISPO, CA, PR:ADDRESS 93407, USA PR:EMAIL mlafrano@calpoly.edu PR:PHONE 7143602022 PR:FUNDING_SOURCE NHLBI; HL114377, California State University Agricultural Research Institute PR:FUNDING_SOURCE 18-03-011, #STUDY ST:STUDY_TITLE Metabolites Associated with Gestational Diabetes in Plasma ST:STUDY_TYPE Case:Control ancillary analysis of RCT ST:STUDY_SUMMARY "Gestational diabetes mellitus (GDM) significantly increases maternal and fetal ST:STUDY_SUMMARY health risks, but factors predictive of GDM are poorly understood. Plasma ST:STUDY_SUMMARY metabolomics analyses were conducted in early pregnancy to identify potential ST:STUDY_SUMMARY biomarkers for early prediction of Gestational Diabetes Mellitus (GDM). ST:STUDY_SUMMARY Sixty-eight pregnant women with overweight/obesity from a clinical trial of a ST:STUDY_SUMMARY lifestyle intervention were included. Participants who developed GDM (n=34; GDM ST:STUDY_SUMMARY group) were matched on treatment group, age, body mass index, and ethnicity with ST:STUDY_SUMMARY those who did not develop GDM (n=34; Non-GDM group). Blood draws were completed ST:STUDY_SUMMARY early in pregnancy (10-16 weeks). Plasma samples were analyzed by UPLC-MS using ST:STUDY_SUMMARY three metabolomics assays. " ST:INSTITUTE California Polytechnic State University ST:DEPARTMENT Food Science and Nutrition ST:LABORATORY Cal Poly Metabolomics Service Center ST:LAST_NAME La Frano ST:FIRST_NAME Michael ST:ADDRESS CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE ST:EMAIL mlafrano@calpoly.edu ST:PHONE 18057566233 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 68 ST:NUM_FEMALES 68 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #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 10019 B66 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 66; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 66; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 66 SUBJECT_SAMPLE_FACTORS 10026 B29 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 29; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 29; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 29 SUBJECT_SAMPLE_FACTORS 10035 B51 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 51; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 51; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 51 SUBJECT_SAMPLE_FACTORS 10042 B65 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 65; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 65; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 65 SUBJECT_SAMPLE_FACTORS 10074 B25-REPAVG Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 25 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 25 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 25 -REPAVG SUBJECT_SAMPLE_FACTORS 10116 B36 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 36; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 36; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 36 SUBJECT_SAMPLE_FACTORS 10137 B73 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 73; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 73; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 73 SUBJECT_SAMPLE_FACTORS 10163 B40-REPAVG Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 40 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 40 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 40 -REPAVG SUBJECT_SAMPLE_FACTORS 10171 B26 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 26; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 26; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 26 SUBJECT_SAMPLE_FACTORS 10214 B60 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 60; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 60; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 60 SUBJECT_SAMPLE_FACTORS 10279 B44 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 44; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 44; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 44 SUBJECT_SAMPLE_FACTORS 10280 B54 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 54; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 54; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 54 SUBJECT_SAMPLE_FACTORS 10298 B69 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 69; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 69; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 69 SUBJECT_SAMPLE_FACTORS 10312 B74 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 74; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 74; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 74 SUBJECT_SAMPLE_FACTORS 10383 B12-REPAVG Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 12 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 12 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 12 -REPAVG SUBJECT_SAMPLE_FACTORS 10396 B13 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 13; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 13; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 13 SUBJECT_SAMPLE_FACTORS 10429 B5 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 5; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 5; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 5 SUBJECT_SAMPLE_FACTORS 10438 B56 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 56; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 56; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 56 SUBJECT_SAMPLE_FACTORS 10440 B42 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 42; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 42; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 42 SUBJECT_SAMPLE_FACTORS 10493 B50 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 50; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 50; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 50 SUBJECT_SAMPLE_FACTORS 10543 B45 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 45; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 45; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 45 SUBJECT_SAMPLE_FACTORS 10589 B70 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 70; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 70; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 70 SUBJECT_SAMPLE_FACTORS 10625 B67 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 67; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 67; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 67 SUBJECT_SAMPLE_FACTORS 10656 B8 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 8; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 8; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 8 SUBJECT_SAMPLE_FACTORS 10706 B2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 2; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 2; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 2 SUBJECT_SAMPLE_FACTORS 10747 B24 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 24; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 24; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 24 SUBJECT_SAMPLE_FACTORS 10768 B41 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 41; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 41; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 41 SUBJECT_SAMPLE_FACTORS 10799 B53 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 53; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 53; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 53 SUBJECT_SAMPLE_FACTORS 10845 B55 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 55; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 55; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 55 SUBJECT_SAMPLE_FACTORS 10866 B62 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 62; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 62; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 62 SUBJECT_SAMPLE_FACTORS 10878 B39 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 39; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 39; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 39 SUBJECT_SAMPLE_FACTORS 10976 B23 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 23; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 23; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 23 SUBJECT_SAMPLE_FACTORS 10982 B47 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 47; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 47; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 47 SUBJECT_SAMPLE_FACTORS 11027 B21 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 21; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 21; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 21 SUBJECT_SAMPLE_FACTORS 11062 B16 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 16; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 16; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 16 SUBJECT_SAMPLE_FACTORS 11070 B4 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 4; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 4; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 4 SUBJECT_SAMPLE_FACTORS 11089 B57 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 57; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 57; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 57 SUBJECT_SAMPLE_FACTORS 11101 B34 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 34; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 34; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 34 SUBJECT_SAMPLE_FACTORS 11193 B7 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 7; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 7; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 7 SUBJECT_SAMPLE_FACTORS 11210 B49 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 49; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 49; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 49 SUBJECT_SAMPLE_FACTORS 11275 B33 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 33; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 33; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 33 SUBJECT_SAMPLE_FACTORS 11321 B18 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS Brown 18; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS Brown 18; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS Brown 18 SUBJECT_SAMPLE_FACTORS 80022 C41 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 41; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 42; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 43 SUBJECT_SAMPLE_FACTORS 80080 C1-REPAVG Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 1 -REPAVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 1 -REPAVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 1 -REPAVG SUBJECT_SAMPLE_FACTORS 80098 C10 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 10; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 10; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 10 SUBJECT_SAMPLE_FACTORS 80149 C19 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 19; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 19; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 19 SUBJECT_SAMPLE_FACTORS 80165 C28 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 28; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 28; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 28 SUBJECT_SAMPLE_FACTORS 80183 C29 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 29; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 29; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 29 SUBJECT_SAMPLE_FACTORS 80203 C2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 2; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 2; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 2 SUBJECT_SAMPLE_FACTORS 80219 C4 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 4; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 4; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 4 SUBJECT_SAMPLE_FACTORS 80242 C12 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 12; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 12; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 12 SUBJECT_SAMPLE_FACTORS 80288 C24 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 24; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 24; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 24 SUBJECT_SAMPLE_FACTORS 80337 C20 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 20; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 20; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 20 SUBJECT_SAMPLE_FACTORS 80359 C13 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 13; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 13; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 13 SUBJECT_SAMPLE_FACTORS 80513 C5 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 5; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 5; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 5 SUBJECT_SAMPLE_FACTORS 80521 C39 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 39; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 39; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 39 SUBJECT_SAMPLE_FACTORS 80566 C21 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 21; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 21; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 21 SUBJECT_SAMPLE_FACTORS 80597 C11 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 11; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 11; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 11 SUBJECT_SAMPLE_FACTORS 80634 C17 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 17; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 17; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 17 SUBJECT_SAMPLE_FACTORS 80652 C18 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 18; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 18; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 18 SUBJECT_SAMPLE_FACTORS 80815 C32 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 32; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 32; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 32 SUBJECT_SAMPLE_FACTORS 80870 C31 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 31; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 31; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 31 SUBJECT_SAMPLE_FACTORS 80891 C43 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 43; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 43; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 43 SUBJECT_SAMPLE_FACTORS 80986 C35 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 35; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 35; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 35 SUBJECT_SAMPLE_FACTORS 81111 C23-REP AVG Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 23 -REP AVG; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 23 -REP AVG; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 23 -REP AVG SUBJECT_SAMPLE_FACTORS 81124 C14 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 14; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 14; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 14 SUBJECT_SAMPLE_FACTORS 81218 C40 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 40; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 40; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 40 SUBJECT_SAMPLE_FACTORS 81315 C30 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 RAW_FILE_NAME=20190801 SURP GDM LIPIDOMICS CP 30; RAW_FILE_NAME=20190729 SURP GDM METABOLOMICS CP 30; RAW_FILE_NAME=20190801 SURP GDM AMINOMICS CP 30 #COLLECTION CO:COLLECTION_SUMMARY Blood samples (plasma) were collected from participants with GDM and non-GDM CO:COLLECTION_SUMMARY affected pregnancies during 10-16 weeks gestation (GDM for GDM cases and Non-GDM CO:COLLECTION_SUMMARY for control cases). CO:COLLECTION_PROTOCOL_FILENAME La_Frano_Treatment_Protocol_v1.pdf CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY "This was a secondary analysis using samples from the Healthy TR:TREATMENT_SUMMARY Beginnings/Comienzos Saludables Study, a randomized clinical trial (RCT) that is TR:TREATMENT_SUMMARY part of the Lifestyle Interventions for Expectant Moms (LIFE-Moms) Consortium TR:TREATMENT_SUMMARY (Phelan et al., 2018). This RCT focused on the outcomes of behavior lifestyle TR:TREATMENT_SUMMARY change on weight gain during gestation. Samples were acquired from two study TR:TREATMENT_SUMMARY sites: California Polytechnic State University, San Luis Obispo, California and TR:TREATMENT_SUMMARY Miriam Hospital with Women and Infants Hospital in Providence, Rhode Island. TR:TREATMENT_SUMMARY This trial was registered as NCT01545934. Eligibility consisted of being 9-16 TR:TREATMENT_SUMMARY weeks gestational age, BMI (in kg/m2) ≥ 25 upon study entry height and weight, TR:TREATMENT_SUMMARY English or Spanish speaking, age ≥ 18 years old, and singleton pregnancy. TR:TREATMENT_SUMMARY Participants were excluded if glycated hemoglobin ≥ 6.5, reported major health TR:TREATMENT_SUMMARY diseases, substance abuse, undergoing treatment for serious psychological TR:TREATMENT_SUMMARY disorders, had contradictions to aerobic exercise, or who had repeated no-shows TR:TREATMENT_SUMMARY or loss of contact during screening. Participants were randomly assigned to two TR:TREATMENT_SUMMARY different intervention methods. Group one received enhanced usual care, which TR:TREATMENT_SUMMARY represented the control group. Group two had a multi-component lifestyle TR:TREATMENT_SUMMARY intervention, which included diet, exercise, and behavioral change. Data was TR:TREATMENT_SUMMARY collected throughout pregnancy, including blood samples, diet assessment, and TR:TREATMENT_SUMMARY clinic measured GDM diagnosis. Blood samples were taken between gestational TR:TREATMENT_SUMMARY weeks 10-16. Since the multi-component lifestyle intervention showed no TR:TREATMENT_SUMMARY statistically significant effect on GDM occurrence (p=0.7) (Phelan et al., TR:TREATMENT_SUMMARY 2018), the samples used for this secondary analysis are from both the control TR:TREATMENT_SUMMARY and treatment groups. There were a total of 34 GDM cases that were collected TR:TREATMENT_SUMMARY from the California (n=13) and Rhode Island (n=21) study sites. Samples for 34 TR:TREATMENT_SUMMARY GDM cases were matched to 34 healthy controls prior to metabolomics analysis TR:TREATMENT_SUMMARY based on age, study entry body mass index (BMI), ethnicity, study site, and TR:TREATMENT_SUMMARY treatment. The two groups did not differ in weight gain from entry to 26 weeks." TR:TREATMENT_PROTOCOL_FILENAME La Frano Treatment Protocol v1 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1. 25 µL of plasma were added to 1.5 mL tubes before the addition of 10 µL of SP:SAMPLEPREP_SUMMARY 1 µM internal standard solution, followed by 750 µL chilled methanol. 2. SP:SAMPLEPREP_SUMMARY Samples were vortexed 30 seconds prior to being centrifuged at 15,000 x G for 10 SP:SAMPLEPREP_SUMMARY min. 3. The supernatant was transferred to 1.5 mL high performance liquid SP:SAMPLEPREP_SUMMARY chromatography (HPLC) amber glass vials, dried by centrifugal vacuum SP:SAMPLEPREP_SUMMARY evaporation, and reconstituted in 100 µL 3:1 acetonitrile:methanol solution SP:SAMPLEPREP_SUMMARY with an internal standard [12-[(cyclohexylamino) carbonyl]amino]-dodecanoic acid SP:SAMPLEPREP_SUMMARY (CUDA)] solution. 4.The reconstituted solution was vortexed 30 seconds and SP:SAMPLEPREP_SUMMARY placed on ice for 10 minutes. 5. The solution was then centrifuged at 10,000 x G SP:SAMPLEPREP_SUMMARY for 3 minutes after being transferred to microfilter tubes. 6. The supernatant SP:SAMPLEPREP_SUMMARY was transferred to a HPLC vial to be analyzed using the UPLC-MS. SP:SAMPLEPREP_PROTOCOL_FILENAME La_Frano_Lab_Methods_Doc_v8.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Waters Atlantis HILIC (150 x 2.1mm, 3um) CH:METHODS_FILENAME La_Frano_Lab_Methods_Doc_v8.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE La_Frano_Lab_Methods_Doc_v8.pdf AN:ACQUISITION_PARAMETERS_FILE La_Frano_Lab_Methods_Doc_v8.pdf AN:PROCESSING_PARAMETERS_FILE La_Frano_Lab_Methods_Doc_v8.pdf #MS MS:INSTRUMENT_NAME ABI Sciex 4000 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Please see lab methods file. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples B66 B29 B51 B65 B25-REPAVG B36 B73 B40-REPAVG B26 B60 B44 B54 B69 B74 B12-REPAVG B13 B5 B56 B42 B50 B45 B70 B67 B8 B2 B24 B41 B53 B55 B62 B39 B23 B47 B21 B16 B4 B57 B34 B7 B49 B33 B18 C41 C1-REPAVG C10 C19 C28 C29 C2 C4 C12 C24 C20 C13 C5 C39 C21 C11 C17 C18 C32 C31 C43 C35 C23-REP AVG C14 C40 C30 Factors Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):2 Species:Human | Case-Control:No_GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 Species:Human | Case-Control:GDM | Time:1st Trimester | Treatment (1=control, 2=treatment):1 3-Hydroxyanthranilic acid 213395.8026 281481.0013 189777.7096 121818.8181 158892.498 158148.4583 165687.4189 180554.8264 141855.6051 201796.518 207699.3824 187283.5293 191561.5377 201282.9207 202237.3535 292811.858 231948.568 131954.8673 184798.4567 124120.0907 143276.8105 89972.82526 65589.50418 216912.4793 191236.839 123559.8583 200236.4069 60344.44575 89699.71965 142908.7994 128487.6177 175074.9106 453616.9478 122373.2857 392614.7992 247117.8925 104114.9986 112127.3465 128165.0414 139068.6337 107359.4184 247277.9191 249494.0872 177983.3745 297238.7946 210195.8319 124163.7861 113309.151 231802.6623 240933.1453 260670.22 526865.4775 140389.3738 228030.6858 294041.4003 119775.7533 260474.4654 182676.0094 433990.2168 181988.0454 217774.3212 101330.5999 123550.887 161111.5834 242839.4034 210832.469 75581.03387 113013.1168 5-Hydroxyindoleacetic acid 5690.971399 16905.14715 11123.73902 4894.342741 23570.75819 30252.02071 7119.300564 20243.98855 26253.75081 6923.582902 8452.970715 5339.006641 8898.896096 7563.570699 27266.31595 23580.30872 35292.96259 4447.531005 9080.846038 3559.121019 12457.58007 2669.083735 7118.236859 33374.13919 26514.68004 18450.90362 7563.82826 9788.439008 4003.408305 6674.535849 19123.2644 23137.89438 12899.95595 20466.96456 48286.43879 45964.99893 9667.828388 35597.67238 35767.23443 9787.841141 16462.9571 36484.1068 15129.10562 49193.39818 40945.08817 47163.04352 25805.05168 18687.14332 47298.30299 46497.87246 47610.48455 52064.9558 51170.54692 75850.31959 31589.21289 7564.739532 36040.68623 52503.86652 56876.78464 43662.59756 21352.37869 24301.84041 6671.981418 29575.15645 32927.09452 49172.32309 17163.1237 27397.8124 Acetylcholine 214293.4473 271614.498 319384.2454 142182.6862 185223.4548 122615.6662 247252.2392 174291.7111 118268.0153 233769.9271 213532.0849 181257.2613 328177.4016 317876.4645 304266.7604 529324.0614 1070508.556 330748.4408 396499.3606 125434.102 169626.2785 171524.3963 179309.2838 427464.8145 794600.6691 143063.2971 282076.1373 368303.5114 253215.5833 230764.9508 168845.7378 235527.5148 504674.9019 156324.9586 478093.7758 587271.6388 277201.7179 292116.6919 659058.6951 121620.9456 176912.8718 605849.6183 214381.1512 962056.4408 740563.0856 646768.5621 215518.5458 147009.8091 1557401.237 1534507.806 466154.2685 570637.9723 801566.5894 760509.7266 1240411.397 310250.7136 570209.5378 1100618.66 758277.7522 586541.3184 240079.5145 171118.1951 192345.1367 186277.4313 334358.2396 462206.5542 317173.2885 252977.089 Alanine 914275.897 1594921.079 1361987.018 568206.3483 1478287.061 602586.1317 639295.8779 866120.5862 1614396.786 949437.9282 850548.3733 982127.1462 1132869.76 1620754.326 1728077.935 2536140.08 2962751.649 985208.6259 1417113.822 875741.8023 1131101.92 774442.6417 1058549.881 3126647.894 3123507.149 1647372.246 997729.228 1018792.157 909009.5059 1004968.81 671804.5122 1637699.865 805652.9283 1960497.982 1515788.22 3084920.396 1125710.43 1555725.229 1991634.517 601494.9113 1026035.194 2872917.637 884052.0905 2989082.846 3311700.056 3404590.11 1790196.688 1850485.66 4964196.658 4317398.448 3234816.435 3801769.296 3310902.572 3761346.963 4096242.216 670394.6383 3516882.733 2710522.737 4483330.666 2567371.236 2071050.832 1999328.063 1011246.86 1954610.029 2460793.762 3182139.394 1168371.757 2383731.695 Allantoin 26783.22307 9110.083803 29795.80752 23111.33713 10903.42528 4557.559847 30960.12081 20050.97233 7560.508871 39532.81578 43676.42262 38172.03169 28557.83547 32402.92055 18259.38332 9880.994196 22537.29769 27398.09086 43581.75154 22476.8875 43069.95424 13208.50686 17381.71569 16265.64055 17320.6468 4608.624872 42160.04093 36039.5551 21853.15762 21849.2402 12675.01828 11226.81226 84705.29055 15667.54197 18114.27117 13106.89138 43058.04852 11901.04105 16049.74895 31809.03839 6296.75506 2340.366523 8713.38501 29974.5288 28799.63708 14940.45079 11247.6049 15379.35997 30780.45267 33145.92831 11725.67084 12952.60524 27767.96218 24817.01386 27663.39247 17343.34269 23618.38681 30764.4144 38462.53184 11559.48672 18169.0331 6560.744056 31046.29433 11211.68819 14597.34271 19547.2876 10571.7244 12013.02138 sn-Glycero-3-phosphocholine 135355.0908 380717.398 116015.7945 110882.5854 311518.116 303551.6587 58012.67278 197525.6295 156246.3183 75589.74207 50974.94549 60302.85574 129714.1211 83457.09795 660398.9991 664172.9202 914749.4804 305080.3418 276280.9008 456966.093 101071.823 374563.8137 887.5585548 477652.4357 578059.8523 401054.1573 332728.5889 212121.4357 230253.4406 251421.9762 347295.941 259431.7019 258222.6658 342132.0229 953207.3676 708496.0934 139752.3646 361661.4059 649987.3399 248631.2918 613072.3456 643093.8945 258104 958825.8415 327768.0102 465832.2405 179980.4315 373068.4081 778524.4906 1310730.326 244753.8972 326728.8651 620353.2268 429564.3858 549195.656 311367.087 944570.1483 263060.5168 612596.9332 305514.3278 348380.9077 258500.3737 122821.8148 181722.8252 671184.9929 226308.177 195973.1686 128538.7014 Arginine 2635360.553 4943674.001 5713313.191 2902515.777 3099486.476 2550409.384 3019849.709 3460862.827 3459115.717 4836622.951 3238013.709 5074837.489 4991939.939 6361367.947 4908005.518 6206401.83 7633142.089 4444920.592 5453985.636 2340898.838 3744866.261 3025267.144 2704022.163 7309135.177 5535831.697 3465389.953 3744404.536 5103741.036 3292332.798 2940145.302 3789645.803 4122417.123 7284693.527 5648421.615 7421507.101 6251752.369 4882787.83 4724416.966 6512322.772 2362125.615 2550065.054 8048031.692 3383621.25 7362627.208 9094056.096 7087728.043 2846538.016 3211773.79 8821053.143 13288082.89 5101496.599 10762287.46 10178888.54 7487997.573 10323078.58 4184663.232 9639817.48 8308010.773 7314843.72 7635837.229 4925107.204 4383938.954 4043954.781 4983292.388 6036483.301 5952180.618 3806342.511 4199503.051 Asparagine 165966.057 570648.8699 348834.3222 316827.3458 461113.63 230617.2525 250027.1219 413263.9706 506651.5069 253123.6994 318477.7978 268209.3705 294772.7856 239548.8039 491704.7545 444309.5073 918493.2068 246999.4479 529217.6431 189993.7697 307103.7256 215188.5921 194825.0273 1026642.095 710766.7407 380521.8199 456422.279 210989.4968 230965.7159 183348.1339 338736.2295 683681.6003 543718.6844 347746.2794 514874.0426 620884.2049 299597.3927 431031.5952 646629.7005 195809.7421 166853.919 610937.0239 390787.4721 870760.1013 1014494.917 822312.9436 409744.1651 326877.0593 1269451.43 1232649.858 563930.7339 782051.363 906830.5419 677593.2106 1281838.444 418401.445 818152.1228 701338.7457 777581.2438 514664.1235 398827.2695 447034.5887 368007.8924 382344.9867 666711.7116 666401.21 544138.4041 447729.9925 Aspartic acid 204232.3029 443134.4554 399431.845 249214.2837 386649.1435 362661.8506 367506.1703 424651.1551 525504.704 318775.8761 479158.7758 366902.7543 280728.5428 259049.8088 536638.5919 451531.9325 543760.132 336931.5975 292490.2177 378375.0748 465634.1427 188688.5391 189932.39 641031.2176 574318.1039 262676.5455 359523.8509 267203.1758 209290.813 172734.8975 362157.3443 366318.1588 295745.8658 315722.6737 605315.0283 612467.7771 331427.7061 477173.5762 539812.3857 208698.7402 318292.4549 601665.4058 290639.4297 383072.802 780807.9511 513622.3367 295608.9159 334088.0646 467901.7156 570893.752 548465.9162 671018.8781 650896.9628 527381.9562 661179.1921 270071.641 713463.4954 136379.221 517412.2749 622790.4595 437729.5262 373653.5561 289311.1315 373605.8618 543716.4282 653833.3573 551032.0124 416263.6706 Betaine 10130528.49 12191256.8 17238884.57 10037694.68 9765610.864 7619582.616 15594456.63 6383704.718 8545200.141 12688715.44 13139664.26 11263129.55 9752175.253 14573893.43 19729238.16 23368995.32 23987152.79 12373494.34 11564539.78 10034978.83 10541148.14 7050520.455 5771735.541 26675516.5 22030426.77 7574183.766 11823996.85 11274543.56 11107068.36 11491251 5570233.551 9324568.702 9899942.391 11011284.87 26969694.64 24764991.2 15558142.09 11732149.77 26648183.86 7334981.88 10421959.81 32833242.66 8364673.324 35799998.69 37522345.1 30247205.34 9664968.415 12835295.69 44719757.2 35930572.86 20560926.51 25024226.09 38974406.95 26959482.76 33067965.56 8626334.896 35273762.29 23255953.32 37860637.67 24328863.92 10353006.67 8183795.402 11508309.58 12550893.73 17970999.44 23942968.34 8704226.767 9464066.424 Carnitine 2664021.432 3087511.451 4027930.894 1899728.455 2554474.206 2217542.711 3826291.402 2534888.823 3532585.847 3442569.952 4327820.207 2501253.665 3507287.446 3609457.415 7456816.151 9046472.997 11737508.29 5897738.025 2696370.361 2231289.001 2106291.689 1896052.653 2664249.756 8600718.923 10357426.63 3118494.697 2580806.707 1942586.666 4346664.961 2964141.759 1804597.603 4044651.137 2797695.377 2824930.308 9785647.844 9762754.435 4249102.945 5201243.927 8059401.695 2065929.575 2754044.745 11433239.21 3313457.415 11721041.85 12805898.94 9516200.691 3994174.694 4201209.712 15273982.16 13926874.09 8550466.991 11831202.57 8273806.352 9113210.316 13517696.9 2323621.113 13483010.92 9827453.279 11387372.54 9778363.697 3735456.014 3088487.67 2521808.411 2643431.264 6218788.525 9990000.526 3171541.467 3520342.087 Choline 3711044.995 4711502.523 3850749.895 2361921.805 3645414.815 2990066.68 3690449.663 2411532.72 2714512.011 4328351.984 4441508.374 3072072.278 4303545.516 5430896.63 6437538.17 9950861.351 8813678.696 3373903.711 5844853.769 2723451.285 5473138.128 3553465.025 3308119.84 10977861.69 10982406.87 3136996.462 4982508.244 2924388.935 3078480.238 3937417.837 1848394.628 3363824.239 4698497.911 3031742.095 11201176.1 9230013.798 4001709.256 4002383.184 10615645.34 3037414.032 3270437.139 10761157.87 3246605.091 15680446.88 14959024.96 9865087.433 5776852.635 4823485.648 20793759.23 18157485.45 10213455.31 11943911.61 13911871.57 10995101.53 15712579.57 1741046.69 14579468.43 9056106.963 12621340.02 10948810.78 5823310.765 3806533.798 3513747.674 2778354.667 7071988.079 10160634.48 3110613.375 3196814.756 trans-4-Hydroxyproline 3820719.225 10486456.29 3771239.146 1540273.116 7770892.706 4053428.101 2833196.442 6397260.544 6982581.971 2878699.229 2991785.315 3818420.294 3470986.628 8150121.122 8300747.958 11442569.06 12755002.76 2194767.367 3357323.128 3001740.865 1683686.626 2799470.537 2334673.082 10994433.41 13433875.4 6508767.383 5051274.807 2725145.757 1871393.704 2152512.911 3372463.123 7703770.799 4023795.007 11946826.76 8715116.443 12385911.48 3532323.51 6508222.175 11808559.59 1992727.966 7182397.386 15295685.81 8348254.747 11558846.69 12544661.91 13778394.86 9283582.598 10036877.1 17447658.87 13315969.02 14525076.11 13616886.64 13612365.5 15546518.78 12334297.2 7695826.827 13479024.38 13758318.91 11973242.98 12726940.2 8475869.746 9924495.613 2891121.945 9119432.052 10322039.94 9681024.677 11608708.06 8015860.746 Citrulline 263520.7133 454611.9431 398395.7729 201951.6751 372637.0539 331338.9716 304502.0797 368837.6679 403268.7597 351136.2582 475777.0086 232158.4313 290913.6396 394574.9312 460918.6339 403695.8056 1052694.068 186252.7058 371052.9394 195242.9536 441791.9163 242146.7747 179309.3434 731337.024 487553.4978 312996.0096 421032.459 312011.658 160180.5196 199600.5481 453751.1217 423855.812 477442.1793 433373.2219 713251.7895 601394.0736 237312.3956 367898.2217 659094.2822 185006.7482 208247.0759 304617.6877 353916.4103 895851.1492 843397.0296 555191.311 286643.3455 341485.0451 1386419.516 779519.5976 454679.0126 489632.2948 894995.4017 818945.9332 982621.7817 656455.5484 671231.0432 778970.6601 1137774.475 525386.4576 586325.0463 495961.0059 240044.8572 360605.4793 519706.552 726744.066 469227.7947 336360.6604 Creatine 1441199.794 3376215.744 1531109.478 762708.1846 1676425.552 2277201.499 1041076.295 1975304.875 1927108.062 1112598.096 1734415.401 1665692.458 1515189.021 1494678.446 3133964.628 4899759.838 5721762.298 1094116.461 1577851.61 1076171.364 1342324.749 582038.9936 771206.4312 5099264.709 5514631.661 2082146.44 2318457.709 578351.1247 874372.2423 1107428.076 1523197.756 2756000.723 3804448.682 1558169.835 5303244.542 5280697.256 911666.6598 1450498.789 4188302.898 916129.4509 1808811.725 4778713.12 2613351.541 4339168.882 5874850.906 3181536.851 2772345.307 1938235.088 5722305.563 5499315.02 5957090.241 8536757.897 5540348.893 4044137.742 7536683.356 1777573.264 6954836.682 5650393.213 6886396.866 4493732.925 3174068.629 1436545.646 872161.5341 2599495.985 3677118.455 5764439.863 1851626.833 2894398.723 Creatinine 602586.3608 1790049.482 681039.298 450487.974 1463474.885 1009512.11 629524.168 1336307.566 935712.4792 447013.6201 715921.0336 570645.3523 653437.2664 661902.4079 1755102.122 2075177.558 2141347.75 446698.9663 1010297.182 319822.9814 788623.7205 460243.4056 596059.2879 1513534.645 1832837.114 970918.932 868638.66 598873.4405 593736.8479 453997.6061 2025137.211 1266637.314 693640.122 1486517.302 1764200.144 1432579.518 494149.0684 1835760.715 1722771.783 373170.992 974537.4595 2122315.795 1682714.697 2201201.081 1287400.251 1947377.162 1116819.593 1198080.258 3468547.606 2673759.906 1406574.961 2155911.006 2571160.092 2515092.256 1920845.652 1916154.161 2144397.131 2031951.808 2827007.786 2108203.239 1468861.817 1525393.517 545535.1513 1895115.705 2164380.998 1498922.629 2093054.231 1160255.9 Cytidine 14347.73186 32608.064 8925.848511 8564.653199 26553.16222 25981.68076 3811.431287 15174.55849 11761.80179 3455.592631 4385.270682 29365.02672 11133.26332 7419.042774 29462.08906 31231.39865 79290.44386 16197.7729 14626.76881 11480.36647 17495.07562 23519.24664 7545.193923 31738.57958 52396.30614 16128.43395 20512.06195 6693.267798 8762.572993 48058.11098 38535.36004 14435.91706 9754.549125 22515.17177 46942.75958 28200.06767 10079.02223 21214.86694 23674.41625 24962.92785 20689.26603 31877.2356 19440.84347 38315.75719 30174.28227 35778.33026 20943.81151 12225.05635 40469.60229 58524.11514 31016.96321 16355.96018 23296.13728 33215.85191 11557.51483 12533.03126 30061.12986 24828.06987 30221.0811 20229.77945 31466.05143 22308.66383 13648.35259 8892.316259 31144.92411 10946.98585 8945.572034 12815.51437 Dimethylglycine 436954.7627 601501.6973 647194.4208 318900.0888 397888.3888 309750.8599 438513.9243 387978.2634 343444.3203 504713.5015 627738.4081 467027.7871 594351.7751 626354.4644 784073.4682 886338.9197 1242827.385 292759.5808 728770.9626 287871.2604 651546.7103 439170.0988 353532.6559 1037673.54 829340.7577 388091.5606 885071.4282 454450.0533 425570.3346 470724.1046 329083.9065 426198.4658 489645.6581 445526.3882 974525.4461 935654.8224 397901.609 597212.3322 1052077.501 371164.0696 437599.6924 920632.0503 528128.0811 1327304.783 1645000.016 1282903.223 591493.2626 517021.0977 1670220.442 1242954.789 1129165.065 1317513.442 1494452.383 1268358.299 1476946.989 368835.9897 1406775.493 1090732.325 1718492.108 1065018.152 630337.9735 470736.1564 477862.4916 504800.7006 692068.6162 1076041.081 560521.1275 543905.4665 Asymmetric-dimethyl-L-arginine 521312.5633 935551.3589 926871.0843 471491.9276 1226460.295 1034163.924 704936.0359 678338.7155 720399.86 888670.1544 925108.922 759587.5767 914351.8242 1030680.524 1292333.808 1491424.991 1823564.797 1035740.528 1394975.134 782447.1636 974756.9773 481627.1814 530360.101 1559363.293 1655964.058 683505.6541 1222044.087 705184.1609 877700.7129 626947.9572 655579.8935 856471.9669 960603.4754 849372.6105 1497254.68 1598984.14 937512.1295 955690.4426 1395552.096 674744.1749 630110.66 1443742.107 776516.5373 1973641.033 2477347.493 1375646.769 688506.4974 957879.4338 2894738.241 2482483.071 1629698.038 2405009.571 2422398.76 1801583.034 2427833.582 709024.3853 2064204.19 1845986.439 1982107.626 1343415.652 1288007.061 1017487.482 664089.1479 792518.4979 1298355.745 1559384.163 866858.8609 984396.132 Glucosamine 267319.0253 568085.4966 205784.505 295111.359 456225.9307 471873.1573 200061.3101 572014.6172 420063.5064 279030.301 314911.1846 206429.0315 187309.8133 180678.6527 458024.8506 400005.1551 423373.8023 175148.3814 428780.9217 217940.1411 277358.6815 316508.7711 270227.3719 413474.785 386799.4526 461922.7099 303018.7539 190002.3864 258690.9419 267964.8858 521364.382 490905.0962 185480.0795 525652.2981 473020.6163 446814.1438 253402.4573 463188.1682 438673.0246 222243.9111 449824.262 472729.0377 483103.2085 352287.368 369529.7569 412776.223 458078.3376 453115.1856 407141.7554 385320.1701 367691.907 565451.4645 591065.271 420081.6068 314926.0654 373394.7715 601004.1007 415279.7964 384918.266 426365.9373 459746.409 513526.5443 268710.0458 508622.7525 533944.1091 435386.243 476534.4468 443465.5581 SUM_Monosaccharides 117176.4223 151057.8915 178045.1635 75279.5052 84162.72418 82952.71371 153331.3458 90773.65809 98290.85565 131530.6874 115572.9169 105222.7095 135037.5067 130291.5689 242113.5941 382772.3343 451595.8307 156134.1138 134349.8368 86088.62618 81645.3624 76218.50457 118505.7825 398737.1135 472891.6207 112514.3308 126234.7827 74647.09819 142640.1932 147293.7089 85178.49832 137943.0592 77009.06469 148675.8266 452834.2855 410702.8712 147519.8369 169188.2086 287713.4354 84679.22678 110642.5619 480523.2918 97196.52606 462617.4303 502448.7045 342855.2603 133524.5529 119841.0773 725622.1684 542284.6737 355172.9831 468625.5105 308571.5286 408736.0183 584431.0706 112793.5585 478875.2332 409266.1028 444221.7165 388079.6732 129851.5172 90983.09472 82356.05178 97217.87329 271601.7627 415183.3905 130121.1312 120902.1188 Glutamic acid 165843.9631 324697.3209 274892.2264 117014.7271 261796.3193 292149.0408 125772.5147 239012.3798 285695.6922 202774.6606 271995.5568 163166.3742 199595.9314 160680.3641 378274.2032 380627.0769 643338.0009 175381.6335 258408.6094 143833.951 450669.2133 111275.8247 135625.0666 589649.2877 595590.9914 213743.8607 274517.2625 148950.5744 126345.5818 143483.6921 180969.8897 368875.9774 316627.055 276292.6688 387930.1448 500478.3279 187104.8241 259958.9239 453415.7928 115995.9855 216559.3234 423440.0672 263329.1758 670162.277 835008.9333 566561.2042 244856.2329 281833.0108 987594.4937 733500.9593 467732.233 516958.8829 550082.4491 479341.9882 930511.6753 257211.5369 435211.4414 658009.0848 595449.1406 436292.3525 283402.4535 330184.8794 205841.2643 220724.8198 374359.8455 455395.83 309007.0024 327887.1162 Glutamine 8976361.232 19423342.25 13291786.4 6772840.329 13928492.03 12709571.77 9096129.395 10963396.38 14010730.92 9447268.065 12480003.77 8390128.975 11020248.68 10568193.85 17062876.83 18215727.08 25619538.5 8036878.754 13415746.36 7486798.388 9058382.902 8962714.277 6884001.4 21671394.99 24409203.65 11800992.13 14236505.08 9134568.33 5819213.626 9444073.238 12569227.39 15127656.03 9961397.493 14733011.02 19831305.29 22118547.57 9867087.702 14165224.99 20402089.6 6008718.256 8780444.096 19749771.48 14418310.16 25441765.82 30473177.72 23051071.8 11990131.4 11644600.93 34472382.3 30166793.05 16503746.01 19480675.96 24790024.05 19117253.09 32396198.23 16646329.07 20709932.4 22452081.89 22861903.61 18793641.61 15399234.08 14486866.25 11706415.89 13036909.09 17867930.56 19606496.62 16387272.26 16470941.55 Glycine 5739.055979 17742.02874 13155.21975 12620.13511 11142.16888 7292.068783 8468.770013 9213.11118 23944.02023 7775.140018 22474.71775 10767.07835 8712.249737 11127.01379 21370.38536 16758.21538 32199.83643 7648.790995 12999.64582 8178.140151 8120.780069 5203.395886 4882.172108 18646.23429 20784.92429 11520.20985 14814.9027 9266.649248 6327.947136 5339.042352 13183.09272 11228.16429 14375.90623 14472.67963 19590.46926 13504.98243 5497.454612 10348.26455 19259.09249 2936.745256 4947.145849 13380.8677 11395.47892 27946.74077 32915.7959 20442.45845 7756.745397 7886.365721 61560.59987 46096.30507 21181.71673 18632.06917 24522.66381 22907.38607 40702.18856 6748.437518 19754.04569 24363.74888 48662.08583 30550.63049 13738.31703 14435.16955 6588.495145 24741.58107 16360.74368 17200.66673 31715.29648 11614.83165 Histidine 6049130.739 14379163.74 8057817.404 5246602.652 8423189.245 8297461.318 6228949.052 8042562.196 11825473.85 6840877.248 7594999.355 7309939.785 8846211.254 8968001.38 14162384.72 16130066.95 23487311.39 7491872.526 15020830.47 5983682.255 7075782.876 4406353.549 4365282.475 20500123.04 17839787.2 7536524.342 10529910.43 5921779.945 6638755.07 5121183.406 10586733.39 13674814.32 9306653.168 10128251.3 17875644.36 17859550.48 9061956.978 10331047.31 17680761.76 4878222.427 7381925.287 18622935.76 9275317.541 26616072.24 25496018.42 22577726.9 9212581.736 9198958.696 32511037.26 27235470.45 14051573.68 25865798.88 27084461.99 16673556.62 26990060.53 10185988.34 33016290.47 16846586.5 20419524.95 14402326.86 10036571.86 9949151.47 7334655.537 8602239.852 16213672.79 17851489.15 11574628.63 10145080.67 Hypoxanthine 27735.01378 87749.653 15972.62514 20281.5559 53563.15635 20052.95897 15244.30988 83067.02293 34864.59252 12524.44336 18572.18254 18108.20379 26618.28054 22253.64158 93099.79078 34193.46916 40304.41404 22947.40622 56636.43069 18185.93952 32576.46957 22212.4861 15509.75907 92538.91556 43084.44057 49918.29381 35319.99152 21622.90016 12656.16672 17798.8573 20077.02017 62555.55957 104736.117 32163.93105 49081.58165 73231.59866 23361.17769 49147.25368 41797.06181 41113.59229 40045.2973 120215.6379 75079.59688 82400.62921 52769.45193 38108.0336 34519.16165 46534.81766 213253.7183 53284.19254 85435.17793 124760.5407 104577.2656 59741.23455 30587.91681 71336.97525 116961.5652 93163.08225 208491.0841 76894.62043 49634.27293 40680.12286 18353.01255 47553.07634 72709.33296 103600.0339 139859.7651 51248.97511 IMP 11000.30831 45076.23959 6105.782123 4506.375733 18728.8139 8659.815191 4234.532454 29534.40099 16803.11141 4319.615901 15348.38956 9788.283278 8228.450156 9273.115886 38184.39262 15254.02172 23071.93145 3147.429192 32502.96876 3828.493095 12148.84883 5226.62638 9320.6742 29368.85958 17748.49294 26110.73109 11965.55257 6692.92045 8275.117497 2669.732285 7097.803256 26866.59546 33367.01151 13669.3975 23635.90815 28085.33011 7787.975435 20697.75766 23200.52785 20558.09645 18440.6569 56273.49405 26144.43132 41016.11659 30067.55775 19261.11893 16656.97766 25239.37517 84544.87335 18551.2301 35149.30965 48684.66228 41256.70801 29377.87622 17675.11481 29884.86565 45941.20358 41011.9911 94583.36964 30964.52158 18612.13709 15286.07886 7059.412009 17011.75299 30344.27957 44173.41485 69121.70135 19222.22747 Inosine 1434.727507 12947.25234 3758.264733 3155.215794 9719.989218 1367.391622 1694.008265 9211.027054 7141.425495 1295.814325 1096.165741 2932.821777 2904.151868 3245.494285 23029.90827 16376.63695 45076.56686 3149.477347 27626.75825 2871.294983 6801.96913 3484.443276 2662.957767 40069.88438 11692.23311 10367.68243 5127.778204 6178.413855 1458.762724 2669.223778 4563.191793 20049.98435 27723.97894 8041.062819 28831.30279 31378.04999 2290.601798 14488.07431 17655.40282 6361.547575 10794.81257 57463.35315 8714.934234 22086.75278 37485.52475 37347.61603 3878.562591 12225.22892 53686.1028 19680.14294 26471.93927 26624.49202 26156.74525 24817.07695 8039.85682 5784.013311 27484.36956 30763.95017 43173.46666 23117.12106 7533.914724 6561.32698 2353.150065 5799.278634 29958.39236 25412.60325 6504.867454 8409.729365 Isoleucine 2818849.949 8838900.333 3235490.698 1324270.8 7388303.069 3417402.76 2168256.074 5951657.422 6550118.012 2397497.576 2625247.995 3420978.973 3435835.639 7386128.246 7927939.186 10507026.26 11793872.25 2157706.936 3428951.457 1978855.111 1614414.072 2287707.561 2311833.107 9626405.394 12095327.49 5685723.945 4064437.946 2329342.14 2086648.474 2051993.654 3346228.907 7951550.073 3033212.819 10848314.22 7618443.962 12289197.73 2761557.111 8007614.08 11744360.26 1629930.46 5561995.879 14870679.47 6955534.653 10463090.04 10943029.56 12719589.48 9199908.142 9356113.988 15568790.13 10930406.71 12316699.12 12164923.11 11474238.95 15080092.06 12178231.82 5240788.324 11961616.33 12890485.38 10662542.02 11106250.66 6145402.105 8939141.17 2314733.972 7845829.558 8723883.616 8856704.89 10234962.74 8605287.628 Kynurenic acid 4782.765418 21101.33806 14093.59858 10818.77343 44335.88752 10027.18514 11433.13569 20053.70763 12601.54712 12959.97084 11510.7093 15172.69237 11616.34687 12055.38498 18259.23808 22851.4881 11270.26103 12598.80678 10832.78836 6700.279648 17982.0908 5662.447299 7101.592738 15470.78786 27708.12761 7679.428112 6268.108506 16990.31533 4380.932945 9344.584068 14197.49566 19247.22656 13488.99376 16083.15734 24023.87848 19065.06 14201.7951 18109.04519 12440.44854 6852.840105 10344.81028 33847.05195 14077.1741 28861.53035 20573.2407 34987.21498 15901.77931 15381.1992 21652.49945 22267.82313 26097.7978 54009.34856 44135.39484 38561.25767 22111.01612 15425.42069 34354.23738 20511.39575 30589.49867 34268.09222 12852.28095 23184.1119 9881.728369 11986.61351 26415.01811 21869.29015 28461.76286 10010.76867 Leucine 4047564.832 9331524.027 3950782.322 1694615.062 9401885.672 4066549.404 2739734.735 6421757.61 8515068.893 3116089.061 3581282.495 3771466.063 3613429.51 9358753.761 9221857.212 13271164.65 15259693.91 2518895.355 4217743.905 2345583.808 1621810.371 2387903.956 2331921.157 12974120.5 15542986.12 7910015.616 5411015.481 3576386.865 2583134.993 2692978.556 4428115.267 11150302.34 3947878.418 10895674.63 10856275.19 14842348.84 3965366.863 9447677.708 13273633.63 2338221.611 5529784.128 18470507.5 6610153.56 13989588.84 14617184.52 15497987.62 9499366.902 10752257.46 20540979.59 15042156.93 16744361.31 16244879.03 15702699.17 19272724.95 16344346.58 7770634.394 15794446.09 16419123.57 13752225.99 13406256.38 8414509.078 11057816.04 3582540.103 9460965.301 11266029.61 13174784.43 11405858.15 10633220.38 Lysine 7935901.761 17701668.37 10201734.41 5869903.531 13307107.16 10019379.79 7760734.732 9420517.41 12756964.06 7847465.379 12135879.25 9824049.153 8878325.613 8094731.979 15883113.01 15912135.6 23152159.48 9070050.817 12041482.61 7180910.6 9928678.9 7277152.89 6265237.252 21956556.79 21901554.08 10916300 12221971.25 7174243.593 5982553.068 5939353.762 10248322.03 15860099.63 10297611.56 12485879.05 16708747.64 20677727.61 9319987.633 13415687.33 20042962.1 5908186.36 9980450.712 16557835.59 13787144.38 22613075.17 27370989.38 20957195.5 12131499.1 8944309.376 32657650.68 29398187.39 15437074 17301673.24 21543664.01 16829801.81 30933515.87 16283397.13 18699860.79 21008712.61 21111551.97 16237613.27 15044818.91 13850973.15 10494205.77 11080519.41 14813888.82 18155564.59 19397415.6 16185091.43 Methionine 318986.6354 556930.2292 373927.0748 188849.6281 730003.3422 236547.4836 219777.8934 394519.4643 681336.5666 262615.8398 211019.835 268183.7127 365891.4918 459864.0827 693378.836 985514.0239 1088277.304 204712.5341 312305.4504 186151.7959 189989.1896 232123.819 207261.5906 1082573.061 1146612.496 569213.4462 285425.3053 209012.8985 218560.949 187754.3514 219569.0588 539259.1244 264376.2421 769489.9251 820945.0608 1030558.995 197437.4342 633808.9638 1012029.468 189382.3535 472699.9017 1266176.976 494695.8323 1308289.012 996395.7746 1317304.701 812157.7522 819908.1873 1503677.164 1547888.543 906299.686 1317295.215 1332674.662 1416986.751 1368256.509 503231.7186 1151888.592 1204232.673 713712.2402 1243051.835 496365.6029 827113.0305 333171.9208 365127.1177 1054737.06 965687.7505 959531.4492 615933.793 Ureidopropionic acid 93257.31025 229372.0511 214584.1496 54585.57229 144713.7918 146149.8541 134893.0544 216385.0492 167457.8545 202065.0585 227865.5891 237351.5851 242726.052 305849.727 224576.8712 270545.3527 420943.7002 227084.5243 160483.6425 135924.1446 157572.5658 118468.513 99765.42592 443754.6737 255624.965 170867.6869 217049.9148 169736.0432 102257.9253 118428.158 202828.5564 180941.9105 388509.8581 181352.8907 331327.6987 290023.6527 168810.0525 238654.9442 308987.6015 104306.4089 146095.6494 299260.3132 152785.457 271719.0798 600553.9105 287682.6043 86419.48485 106141.7593 833443.3261 467397.3929 349704.1435 581146.2373 523256.3653 382918.1399 559322.2326 204122.113 237377.5477 346688.7716 766786.5557 314671.2486 266610.3996 276375.7051 186234.4981 165819.3799 295833.7506 281027.9401 353378.3141 279089.4078 Nicotinamide 97371.42867 259546.1618 103001.0787 124266.264 98774.73994 118356.3024 106443.468 139299.776 89231.38448 83796.28005 174613.7016 200873.7626 157464.7842 90592.71611 94343.82243 147958.5403 97889.8574 142785.2729 228988.4096 137826.9573 73252.20749 94026.77602 85960.88881 216124.8223 222679.1891 115939.4096 249510.1643 156862.2138 120231.3825 136594.8775 200591.7718 90871.3992 4948540.113 107749.7793 129202.3155 225422.8702 149122.9613 122351.8513 125459.0357 114765.8739 124027.8889 147906.2234 309906.5695 180546.0817 311140.857 121506.2857 114995.3657 112724.2646 155220.9016 258240.7545 272980.0672 175804.5035 142127.1315 149159.52 240913.837 113569.6687 110264.1503 215563.4567 178498.8439 72435.49423 126293.4671 185840.8287 165875.4379 149893.6033 136149.7265 171173.2536 233024.522 173218.5271 N-monomethyl-L-arginine 22235.16571 69285.02276 69901.19019 29376.53429 60210.3133 48768.18422 62174.00655 38235.96774 46621.5612 59715.91249 31750.31063 97215.06131 65799.23193 136754.9706 96067.17601 90999.40161 99813.5519 75525.59638 81988.73495 62212.73401 80136.87245 27178.3368 23973.51565 88822.36017 62346.54097 51067.70646 45371.60776 64269.34519 31738.97308 45851.26152 39544.92801 59535.80859 89648.21891 75159.237 135190.9211 84573.47355 80998.8019 68297.81567 73031.39171 34336.63777 45850.51541 126299.2743 74406.07283 85315.83724 136449.0608 109947.5004 36478.23638 45150.2599 229142.2592 122301.0457 110576.6264 218538.5052 178595.0093 110223.9771 145859.6214 38561.00531 166351.8667 96765.68477 148194.503 120439.0038 93975.12545 68889.73736 50042.78456 51381.05531 106712.4752 93870.51272 48745.24981 58053.16806 Ornithine 185051.4373 505884.6518 503159.6428 212778.7799 377158.1864 376032.4869 360802.4907 433036.5188 389801.8479 470617.3921 559097.4704 522126.3707 458761.6535 744621.6961 595037.3464 594446.6236 999646.3242 455319.0988 435524.5601 266953.5383 370299.0607 230831.1365 219658.169 1071634.132 544484.9385 414522.1896 534406.4869 380736.518 205150.3446 239383.0269 538962.7044 383015.3091 846369.3465 485671.5362 857727.7674 728607.1639 431546.1353 483268.7381 692215.6329 282411.6478 279319.5634 750849.7704 374733.4851 703812.6043 1381466.392 638883.6842 258703.3173 363596.0743 2139679.648 1100622.741 698056.5047 1133582.158 1212092.713 1046254.418 1315056.697 454051.4825 612841.9325 832100.1268 1858659.619 740131.1161 629796.966 477218.9798 495005.8628 365312.8989 643875.1528 705324.8091 833492.2386 550694.9674 Phenylalanine 3786370.556 7442227 3022432.723 3331055.111 4789950.759 3645065.521 2272592.009 5835399.195 3576422.115 2958574.52 3036533.822 3056804.849 3841136.105 4386839.529 4961479.073 7592033.985 7002190.836 2358011.748 4468664.505 2282258.154 2448050.155 3236768.589 2451992.032 5232979.344 5694136.329 4552163.612 3961611.945 4797158.812 3513884.068 2760729.721 5336438.968 4780418.62 3482407.492 4207788.356 5708115.124 6711260.094 3212275.642 6678016.197 6811167.839 3180372.705 3577215.356 8919991.719 7226499.592 6572688.591 8400533.589 8791367.073 4256940.898 5314778.61 9895046.1 8731212.753 7473865.676 8037923.53 8012808.305 9469682.349 8477637.512 5461830.129 7790605.934 8420132.3 9598136.511 5763291.466 4255036.994 5047079.108 2306747.04 6628788.829 6441637.392 7522123.436 7297132.689 5238131.891 Proline 2856461.603 9804701.219 5674082.605 1745965.981 7103212.089 4845165.053 2570251.077 6001406.732 7362117.073 3981532.772 4523877.226 3342773.485 7181396 7027365.648 7446281.847 10168757.85 11194550.37 4594225.05 6271250.594 3648768.788 4214094.401 2356933.83 4209752.713 11208577.22 11955347.14 10556098.85 5039137.574 3829702.114 2660007.137 4268215.059 6018736.057 5325493.42 5396099.679 7486234.807 7684431.017 11807401.77 6574011.523 7320460.769 9080082.288 2759360.624 6481649.871 11907111.91 7424376.986 11714662.86 14688272.86 10118575.68 9719015.297 6224844.352 22480207.68 20388966.97 9987372.307 16948551.9 14643321.5 14221802.95 18011019.25 7742521.084 13735822.77 14815331.46 14847131.38 12420474.23 7006209.308 7777198.811 4263807.709 6534599.851 9008971.776 10469389.42 8737061.017 8849106.745 Serine 153052.6566 449179.2349 421102.1671 235269.9565 285412.4591 208288.4331 294700.7349 264163.6604 469208.5126 269108.5069 393626.5287 371962.0643 351380.6841 356930.8941 425008.7548 582460.5714 1130284.329 244277.7687 419775.2273 275662.7269 369283.7936 176617.6724 161520.2581 700784.4682 529473.6674 355165.8826 405190.2074 310781.6623 170370.162 141908.8068 304364.3975 457327.1945 495905.8286 289224.0651 386877.1785 461172.1883 195169.5785 327280.9755 632758.0575 266785.1723 257833.4712 631493.8848 302322.0193 530866.9143 1284974.527 839320.1636 210225.6378 336364.9238 1218783.522 1015504.844 525808.7008 562392.3268 693125.2128 460666.6697 1030237.063 261231.2511 727413.8315 640968.2111 861189.4939 660494.6849 272576.4005 250187.6691 307436.5697 344600.625 396944.3549 568617.2636 483775.536 425486.814 Serotonin 56991.25776 113166.9088 93126.51176 38282.62225 148045.0663 85943.74686 61307.3302 115631.5471 98025.35888 68612.98705 113642.5095 90288.10558 89547.65768 97132.91721 161457.2688 134142.0432 250129.0872 95690.31255 83042.88121 45140.42278 81057.58424 67867.08031 37220.72639 164540.4449 151803.5124 95083.85092 104925.7201 52260.06613 45686.49403 49523.94656 106359.8511 193543.6858 105739.4123 129668.7525 177504.29 209285.3021 74431.77675 86951.54858 191689.7744 47641.55781 55825.20037 95210.50107 234432.1234 239389.3506 211926.7582 126779.2182 57574.90307 109665.0162 358654.5744 219242.4617 120031.7341 123325.0993 271504.3351 230989.4787 256367.7319 189117.142 138199.2191 202608.6271 336338.1504 175426.685 182537.0096 173610.459 69949.52451 99489.25904 149669.6999 226684.549 146776.5063 154662.7159 Symmetric dimethyl-L-arginine 343843.34 597480.7709 649918.364 235731.7922 706898.2759 580191.3113 395968.6369 343067.9067 747729.008 551609.5081 572681.6341 454170.9436 609395.9119 569143.1865 794045.4275 851177.6647 1371136.651 574569.7761 942086.3636 508105.7527 790600.7214 359321.3872 302233.9642 1269868.329 1030635.684 446194.1304 985703.6145 545091.9943 607043.4729 459653.9927 290492.566 529937.4941 809667.3736 584972.5867 901833.2102 951982.7192 572612.8851 648892.5657 1047405.849 375414.9126 342290.8335 937133.2395 403546.8756 1430179.101 1843571.351 1079437.157 469303.1239 687433.6147 2221520.233 2014682.233 1183893.751 1349276.809 1267753.547 1644394.271 1828100.178 364232.9603 1171670.736 1319544.224 1256817.513 910661.6277 778539.8347 750570.5406 448023.6356 513267.8502 725811.0517 1257279.182 524446.869 803333.4494 Taurine 239140.9546 389847.5659 298219.0861 129369.6676 319792.6777 176393.2537 150754.007 239806.0288 232296.7925 192663.7525 323151.9856 272122.4602 204745.4479 160430.7045 329524.8892 241046.2715 580647.2202 256017.928 405299.6568 276134.0381 209849.7833 122822.6445 178862.9876 413943.7406 471586.1818 292576.6912 374631.5465 169390.0958 164049.3937 120140.9365 310291.8785 299256.1822 3910735.305 295892.4584 309352.4431 545163.4964 220822.0525 225589.704 372096.4315 195272.6502 229809.9944 301321.442 270141.2026 559264.4606 560905.1049 256416.0165 326030.423 243323.07 589831.234 906409.7296 475917.1784 353019.4833 377862.2848 390750.8273 652883.9197 296908.9643 326753.7918 362536.8864 586403.8184 342542.5945 278031.112 295682.4604 239554.6844 422593.2917 288036.3879 335768.386 457679.1812 263458.1806 Threonine 99449.31073 387990.4129 228293.7762 128159.1596 299698.8523 110612.6954 135929.8797 248157.6147 265541.4625 167803.1234 177035.4198 156403.4371 297813.8498 291415.9265 266408.9607 411518.936 641746.993 117300.2507 375959.2978 186150.083 378269.9424 192924.9935 138001.2226 757870.8549 507836.3603 459188.5838 259669.6586 90038.2486 142645.8151 168837.9251 152431.8072 327423.6364 256033.2889 238797.0485 411747.0823 486250.6971 137215.9069 181222.1775 426248.9527 139539.1037 209544.0685 403732.5831 186521.4646 352594.3113 1004913.331 597698.8067 157044.5254 264248.8797 705290.7186 876487.4832 363068.1256 451282.4907 382497.6175 491686.5929 788650.5154 235751.0269 418878.5236 584829.3523 338124.8072 396426.2513 212204.6942 123892.8004 193751.4127 226392.4348 359968.3602 483158.644 259644.4284 189524.3008 Thyroxine 142510.5128 105969.5539 74233.55833 41917.67361 103559.2683 78397.37961 61403.3182 113810.3783 94089.62411 46648.68068 44396.16347 87106.81825 94377.08022 51462.83928 91702.60843 122244.0351 121545.9308 67486.02907 85583.05713 41153.17249 59283.09836 55743.20944 63464.963 117821.0807 106518.9908 85606.1048 80337.3697 60749.6007 54518.24992 57842.77341 85178.20339 113481.9167 74436.8092 60705.18992 111993.6338 115576.81 57263.45923 66743.08254 132411.1247 85647.92098 79615.80212 143274.2509 107930.6996 131629.4485 156797.5458 158047.2749 111318.2694 108449.6119 104867.1829 107716.6502 93440.0961 88619.49464 82960.09219 121034.0087 129502.1664 38558.02238 76433.79626 132523.1811 126388.423 121368.6051 128529.0299 76978.96276 48468.91527 132598.7453 107619.3946 100075.9589 66676.82703 140552.0249 Liothyronine 1913.106989 3356.356419 4228.300512 901.5585093 1422.538069 4101.900519 846.9242615 3251.632843 2100.31314 1727.81375 548.0829083 978.7276521 2419.855075 927.2170393 3734.415237 3808.31866 2012.512668 2249.622631 541.7436562 957.0906477 485.8989766 435.4959121 1331.462996 3173.68795 2597.882767 1919.842588 1709.241724 2574.063436 486.8181169 3114.869789 4056.277471 802.0148137 1026.878192 2010.294908 2957.009591 4765.515821 2748.444038 3621.862876 2407.483771 2447.207643 899.629027 3148.909955 2010.965125 2028.646262 1828.662718 2358.939568 2327.322552 3943.610342 2849.641582 2071.390853 2648.105781 1901.655712 817.2799281 3436.560527 2010.076285 1927.973572 3435.016364 5127.639664 4709.232036 2476.959409 4432.295413 1749.649725 1411.926354 3093.240016 2168.253423 3127.486147 2439.723254 4805.008622 Tryptophan 2392591.515 6108368.658 2201871.547 1646066.251 5292587.981 2975928.275 1684979.592 3040688.987 3471865.089 1762513.687 1950408.049 1818258.743 2660353.05 2553940.652 4912365.511 5043378.795 6698323.173 2066904.539 1877863.91 1360133.846 1401060.306 1629404.76 1575036.395 5541383.238 6854162.152 3717669.191 2157856.52 2489874.692 1688423.385 1741573.106 4677061.486 4003513.707 1582726.493 4251516.358 5662639.555 7167932.749 1931852.551 5388643.838 6050236.975 1411148.518 5133353.675 6267405.645 3369951.463 6836526.5 5761343.83 6503986.995 4146535.767 4456406.115 7489589.491 8397874.062 6135824.338 5526651.581 6167923.919 7646311.804 6432910.402 3404700.324 7460303.148 6154584.638 9513488.278 5492334.307 3380940.207 4614495.924 1351123.066 4803551.576 6182647.059 6015383.872 4323582.875 4421440.317 Tyrosine 393315.7237 605597.0967 522831.4019 208241.4573 357494.4647 227117.6237 295203.3286 478807.6627 281330.6905 232921.2981 319402.3917 327892.4007 632255.0338 764195.061 367907.2215 527807.6004 565498.4733 104778.5565 236343.3468 297662.1797 108407.0373 246229.9725 364424.7327 297550.9096 727729.6088 346387.0965 304492.451 247491.3957 263953.7803 232699.737 233591.6436 341660.7804 239660.4191 571627.3459 363830.8866 509580.9106 297164.5013 437675.2931 382275.5964 276066.2341 356417.4712 877738.9482 407127.0821 484899.0438 696816.4909 615508.836 326284.8809 513909.2322 841706.7907 639849.6254 860708.2919 704866.9355 674498.3682 925299.9018 681686.1386 589330.6746 610760.2948 864079.9823 741503.4216 615274.6509 253701.9608 490948.9704 279181.1712 610159.8224 487517.436 640996.0923 568241.5295 619357.8131 Uracil 383563.9583 449869.3089 168069.3333 220407.6199 275531.2446 246098.9172 335790.3653 355502.4946 267152.2056 297846.7586 379894.0654 375350.398 313946.1992 125642.5009 276588.1927 164459.1221 447571.6893 120582.175 242921.0384 102586.2392 174956.1905 84400.43351 181952.9716 483924.9588 369656.5222 182355.7044 558997.7637 356859.8349 244348.6651 129252.9509 515851.5091 292029.5157 211041.4362 221913.9934 194582.2544 375382.6127 260139.8938 293805.6569 394206.7968 184483.703 197893.8027 186419.8718 620069.7959 251543.4717 415181.6614 171372.9816 224912.3965 260127.3209 403758.3819 335308.0669 228302.309 204029.392 349581.8922 232234.8667 421453.009 481901.768 229700.844 383839.118 461379.0724 193506.1606 342855.8191 319084.5642 257391.4031 312757.871 307270.7957 229312.5294 380045.2033 260669.2074 Valine 5840065.425 7794287.823 6208770.901 2356321.336 4259720.557 2672262.404 4556483.985 4583830.47 4451499.265 3898375.044 3688271.444 5179033.882 4759104.966 9948983.244 6370860.599 9008031.534 10110819.45 2978620.117 3315682.713 2919285.392 3140164.423 2895971.181 3767544.031 8047803.521 10091122.67 5527978.73 5610136.094 3294132.012 3320675.125 5565935.162 3424301.315 6888879.001 3950329.226 5830991.537 7442876.227 10226381.39 5143279.311 4195634.481 8371129.786 2433304.517 4272732.927 12154699.19 5443796.039 9588607.854 12748326.43 9216661.322 7324733.725 5001488.324 15215819.96 12502832.29 9392581.074 11399560.93 9245693.718 11956710.56 11506501.91 3677765.682 9861845.925 10699419.26 12616330.58 8732954.826 6387577.35 4990159.061 3914213.254 5293784.118 7247958.449 8464474.381 6335974.727 6301564.056 Xanthosine 49951.4625 151749.6652 48746.96052 51185.72227 66959.50542 69195.71525 73040.86662 125586.2926 45622.4457 101016.2547 71196.68009 87826.3912 82600.63129 50971.27662 80194.36109 56709.06648 160301.4345 46658.74281 86859.00542 40401.01269 82614.22202 47164.0097 80007.96678 446238.6961 112543.4614 66625.08006 83822.68676 66852.11495 54926.63936 51105.9591 103455.3093 53262.7495 119193.5944 46712.80972 89753.28566 98642.86391 51248.17673 68446.55846 109158.8528 67386.62676 33110.62346 70081.72944 205452.6838 92961.57035 103660.0762 84939.86792 67834.13003 62009.52269 77652.79047 129669.3716 127141.6618 72949.61263 126304.8958 176406.254 167541.4326 32366.38849 126456.1276 141480.3279 179100.5805 109241.652 100943.9475 104932.1745 46603.95693 88677.87461 63939.65672 94936.69393 132754.9001 46998.21269 CAR 2:0 9605178.731 8300705.168 8704052.136 4155607.525 5631947.941 6515531.787 8477507.89 6297786.731 6247169.26 7656314.551 9653694.025 7059451.365 8518613.958 6348429.881 12560871.1 17549867.51 14771577.28 8713794.778 8286916.806 4505462.965 8363270.993 3155275.352 8380650.896 13287468.82 13103782.31 5523858.579 10290381.95 7750809.072 10773215.56 8008840.244 5662342.087 7987764.99 10893338.35 5253509.369 16939100.7 14770540.43 10105237.91 11096355.82 10905979.53 5573015.866 6993428.106 17017545.32 10081883.55 19717083.58 15512803.86 23621830.68 10913080.91 6857550.014 31655091.33 16443786.65 19071414.04 23594366.91 11305154.83 15475268.45 29642027.56 6004909.817 17931824.16 20280636.85 16525016.09 17507206.26 11100274.39 9768340.401 7604451.327 12193267.42 11951381.48 16508630.78 7896873.026 9603610.912 CAR 3:0 332343.5646 418172.6932 287035.7662 192777.6843 169746.9522 260695.1291 374324.4354 300800.5513 376374.58 284706.3682 488390.1855 367034.4967 272498.2011 634239.7515 835333.6986 741774.153 858297.617 153867.3396 245967.9742 203318.559 105884.5213 98863.11665 191501.8782 863096.5726 964207.0592 330244.1296 703768.4013 296820.8114 264817.8639 135715.4464 115606.5708 494039.6219 616053.9505 308573.6092 864933.7565 1009695.832 182676.6883 513797.6632 678952.0647 130682.0085 239710.3178 1434723.494 292294.3149 1170045.518 1401155.377 1133888.156 695422.6511 472010.5855 1847111.893 1159199.877 1394694.126 1660704.192 886206.7722 1873880.542 1830697.276 342183.8614 1625786.042 1719408.345 1830121.258 1381871.62 1080689.869 600154.1372 384046.6578 426868.3604 798835.7554 1634417.816 374083.3792 1102146.953 CAR 4:0 1089845.481 319835.2624 426592.0298 783352.244 947918.4482 226992.0865 1228155.484 316366.8847 642223.3345 796918.9093 499866.6713 454119.7599 3194029.011 1352133.527 682652.5014 1269864.59 650216.6724 301437.4159 808809.4731 216287.6832 476700.4302 270003.8714 431739.6567 1122541.134 572176.6663 229997.3811 807995.3177 318674.6302 424983.4343 687219.4891 138660.8578 528542.541 1100641.661 292690.6573 1765001.437 763362.6135 486201.8945 625436.3777 488148.2663 394436.268 242647.6087 1042551.445 1211375.067 773404.3472 657872.685 1058760.267 1198143.702 544979.6205 1081067.128 550478.6536 1108207.244 1424277.848 649202.0096 1892057.327 1108994.714 357961.5358 1218181.397 656767.1112 1700211.493 803615.4844 1149140.14 661740.4312 878070.6247 242022.8718 987319.0822 640660.3151 352076.2341 343726.0017 CAR DC3:0 114667.0465 27813.02036 18789.9958 5409.097249 23231.67847 20055.11317 34302.96543 47415.05111 18483.18034 23755.8195 42755.07075 48445.96372 39685.6048 27355.45726 37544.51838 199179.8893 50309.28861 37341.25013 17336.1036 14834.11345 69976.00246 6532.456822 15089.92519 79704.37092 26416.19015 26496.44029 17661.32647 58690.79044 37484.64368 26698.70513 10647.58995 58141.73412 67247.59857 11257.61173 58384.5354 94556.63852 36188.63339 34665.6636 50155.23572 9814.822565 33758.62354 55517.67291 72401.24476 42596.05518 55756.91623 186739.5363 126054.7006 67018.44282 179780.9501 55390.18936 180416.108 215865.0095 45366.93255 48870.5406 113315.4269 9640.09852 92289.11869 101362.6019 56126.58881 122851.8903 80641.10585 38054.76455 23998.84013 146167.7456 49280.31052 133045.6979 17891.63393 45255.2379 CAR 6:0;OH 12910.15968 48429.20541 15968.389 8564.302168 32952.51516 21880.04259 9315.466985 21675.19951 23524.21207 7343.840584 12058.84633 9298.165893 15005.01801 7251.378128 56226.82331 47989.73136 80902.52723 8998.671069 22210.50464 7178.245195 23325.60598 8710.587105 7545.05163 72999.81221 66259.857 22655.85498 25672.64011 7234.925422 8761.883198 11123.40316 12168.45754 13633.90217 10267.94482 24524.89355 52468.01014 50043.99564 16950.22787 32626.03545 54173.15276 12236.66984 21588.96413 68482.95878 21869.45603 68518.85282 63089.30923 62926.06689 29864.83305 26421.69386 102592.933 129485.4676 58253.83863 98133.08089 100548.1626 38563.66048 182917.4676 45311.45829 94430.88653 88749.16815 75334.86327 96607.45856 42963.27413 40243.51385 16941.98209 30158.79411 64050.08555 77414.4917 30902.51911 35641.87968 CAR DC5:0 10522.87688 45556.37928 15973.10778 6310.496451 21099.47294 15498.37197 6775.849593 14091.05309 13862.66212 3887.953018 14800.19701 3915.092205 9681.235069 4636.178244 27178.72961 31612.77958 67533.5604 11698.10181 9751.817255 1914.158398 13121.00065 9145.586173 4438.000817 44038.22197 51535.60392 12288.05073 15954.92058 9779.853656 2920.685373 4004.502473 13690.12079 20450.97386 7700.732793 14473.33451 38811.11694 41306.80633 6871.72034 14487.85463 39325.55536 5873.128463 18440.51851 45654.35171 20111.50343 44401.82763 55315.37919 49909.89025 23271.80239 19323.19612 62125.92025 110321.7686 45770.44159 65042.17928 76840.73624 38182.13733 127640.0788 25062.76202 58502.12282 71787.95997 42387.81771 72248.39259 33683.11431 14872.38128 9411.99133 17785.87483 50264.38631 52000.9064 29276.00454 30436.1696 CAR 8:1 175028.4042 95900.51718 56848.08013 36959.68796 90783.21016 128535.6866 168999.0044 108083.0449 38649.65009 63327.25346 115647.7326 105211.8838 62433.06503 72785.64145 194628.6428 199085.0267 278486.5643 104823.0803 54760.25379 22966.90701 66086.15183 76646.30793 86970.29998 379646.0804 128944.4357 87171.03152 116211.6054 39124.3969 55983.14591 103660.2139 27377.81811 164417.5783 92916.24787 90061.86813 275910.2376 238324.9805 43059.82724 102458.1816 118367.1589 93476.86277 113783.3038 216092.5756 144803.1939 122854.1359 138844.7734 147023.8152 211755.5199 95015.74415 335117.9465 141628.8266 236052.3953 228487.1713 228493.862 183104.2654 119774.5944 34701.98889 138241.694 272937.9595 214969.636 134305.9388 148918.466 201199.0485 70583.27212 84281.61445 219418.0555 308465.5226 239910.5245 112537.5493 CAR 8:0 72222.0978 74806.34211 17382.1762 9015.779331 81559.20387 23702.91564 28795.23183 31706.60304 23945.99914 25916.09696 25216.20179 31323.40436 74541.50553 11127.68747 67635.74144 88144.92973 48304.05958 49495.94526 29254.4248 11486.07115 17955.77225 147918.3361 31957.22895 51580.33155 69285.85557 53762.23876 78064.68538 85456.41161 26775.0553 40494.49138 52734.73311 58548.40613 26184.6403 42211.29178 52842.63662 58751.01128 33898.04629 43984.65046 42531.10937 18599.88465 40475.55658 45255.44052 58316.19832 39215.817 56208.30125 52684.74675 34515.98412 30761.83452 96577.58161 65230.83211 102294.385 61594.28877 126242.1327 58750.19372 138695.939 12533.33988 44641.49713 80446.54059 60043.40016 56140.92851 42099.87999 34558.30885 58825.73732 98981.71805 67818.90338 42613.25238 40662.94784 20947.94158 CAR DC5:0;3Me 10042.67014 23977.34876 26778.26633 1802.899624 19201.33638 20966.03294 10163.10095 13277.27839 50832.22733 6045.506591 29050.07975 6362.044761 7744.06048 12054.54745 38590.41363 77306.06051 40669.37573 4049.512487 44959.88006 3349.701935 78728.76043 4790.801821 6213.542126 34910.14949 69711.35494 14974.22188 35894.05133 6178.632978 3407.554716 6674.214826 11153.87582 16036.80141 7187.870272 16483.24904 55437.88845 48080.26871 2748.789672 10348.64237 26079.56335 978.8863218 19340.73992 24794.41697 14077.63405 101428.0728 46173.97106 48747.26356 19780.99395 20111.11777 141910.375 79121.13118 59766.4673 49825.65938 75626.30644 55743.67432 116068.5363 33737.64257 60066.38873 68927.36099 54512.57178 74703.26463 29248.30592 13121.18945 2823.520166 20489.78751 67811.32766 48865.67096 14636.33952 14814.95491 CAR 10:1 117169.8864 152482.2946 48474.92792 22536.82233 124923.5946 45124.81378 103360.6795 52298.98995 50405.15282 47515.02902 98337.45477 65263.00594 85193.85283 45438.03425 95643.98545 104383.869 81827.67834 130181.4903 49297.85748 24978.49492 46161.03747 89718.66831 63905.38875 124637.6627 82312.34652 83703.29888 63238.09611 150849.5346 70089.21666 80531.27649 81632.84329 123096.0023 76491.90611 84824.47078 115687.8187 100481.9347 65971.59254 114353.3191 142046.8745 75372.37886 64321.79035 118859.9094 134783.8366 79387.17295 61708.04983 125629.9239 90783.1628 62308.15252 151695.542 58726.67194 184979.9387 84381.91454 140988.1473 142032.8416 174342.8833 36634.2909 78176.08179 72968.70789 90661.24967 138635.7809 79779.07319 98418.35312 156708.235 112495.7047 102895.043 63700.1822 151253.7513 50455.14246 CAR 10:0 358186.1199 369683.0032 114636.5427 65358.43411 382967.7064 186429.2332 142243.5312 112980.8136 131519.9133 128087.1507 116753.1193 206018.8391 256995.41 61128.27972 290282.2341 354681.8764 123773.5604 261391.7358 108347.1084 56438.68802 133173.7713 554352.3293 98522.77153 188563.5519 267589.9174 227690.5317 270642.4201 473662.2343 147580.7475 153496.3488 162777.6078 287941.0846 175052.7676 176085.0406 184591.6354 203141.9908 182820.2389 158324.9479 156251.0808 121381.312 150658.9825 139510.803 213202.3298 164432.6938 132757.421 261977.7997 176130.9839 145701.2085 255247.1934 194807.4265 558059.1632 230969.3256 486188.3521 279484.3749 501970.6436 61645.52249 190860.5397 144655.7436 191878.1147 321630.4427 247314.1437 224982.125 307781.1507 587923.1353 277105.8584 142295.8966 227244.2487 172182.3801 CAR 12:1 533213.5923 189929.9267 124044.2054 78877.29497 185372.0795 118504.7599 189716.3948 123297.8088 125606.1974 166727.4312 133191.5112 179595.7872 284602.5307 96468.87399 241157.0385 353960.7531 119158.0965 179970.1945 126219.8794 46415.68873 89410.64096 101470.4171 155778.2243 167811.9557 262883.0509 126888.7976 190907.5787 260600.3441 152847.8571 131710.4878 161733.2808 254538.1967 139125.1094 205466.3529 212397.6551 291187.8878 252893.1927 191524.146 236344.5791 89073.79842 115162.85 229327.771 195072.7332 264346.1853 210555.8511 302940.1189 183835.5857 161629.6014 274162.338 283245.743 399424.4414 346375.5128 351096.0485 293546.3113 585941.9118 53980.86373 163581.8735 246515.1284 288070.2963 463265.3332 275219.0056 284729.7872 218815.7329 248990.2561 275707.8718 187270.2508 278823.2723 123755.0688 CAR 12:0 555368.1389 126129.698 85479.49047 51012.63338 140096.1447 91612.521 129845.5801 56631.77091 50834.245 135984.2238 89333.16744 131564.6543 306882.0849 60673.74849 149612.5809 244861.5432 95793.1283 128145.869 95982.48651 59958.25133 45007.54152 223386.2271 123822.0798 77770.19283 144068.5413 82943.91154 146947.7631 245215.517 146935.1818 106948.5887 73519.78213 138752.3589 114383.0867 151190.307 148478.7946 154231.8424 131033.5289 90041.17812 135629.821 71854.25052 73309.11679 161359.1185 94517.47445 164215.515 90062.12822 221756.9782 85321.70532 112778.9155 211260.0891 203516.9416 222792.5338 150902.2887 223163.6703 181171.1331 394722.2019 59764.64545 124533.3195 137654.8211 178576.8698 177537.1153 147571.1669 187213.2383 256002.7392 253640.3785 168938.5708 69201.48566 174837.5598 82106.63309 CAR 14:1 125034.4875 101647.209 23954.79641 12621.88641 57593.77947 61527.6614 41496.53481 55832.20806 30450.55697 41902.43176 34533.25566 39640.7725 92444.26348 16229.24206 94411.58068 145576.3606 42661.47444 25218.70867 39001.53468 9091.463789 21870.28185 43137.70142 26184.83421 54745.4837 78805.61967 60684.98126 36495.35362 66932.99906 57910.80214 26274.97628 133345.3275 76918.2143 36450.01877 70751.80189 91910.73313 96114.3588 32527.7931 51741.60074 56465.5804 33281.97965 46781.99818 86593.16311 101854.4878 70081.62404 65827.75031 153314.0212 98524.79867 72162.80829 128807.2716 84410.76019 147534.2543 136537.7654 102989.4496 110353.5053 146694.9887 21208.36282 78599.38712 100963.3448 125732.0537 125480.3453 107615.7466 68638.35536 59291.46718 110816.6196 70861.89728 59422.5363 85383.50263 79285.2477 CAR 14:0 60258.19864 21098.71681 22080.33283 7663.290361 24339.13437 13671.49205 17785.79149 19735.58536 27304.68378 22460.86878 18088.91436 20550.86933 34364.21738 18547.45926 36511.9678 64743.78668 17261.47653 16197.16226 14083.92976 10527.68643 13607.24781 13065.64651 13314.01942 22387.10083 31175.19925 19966.07174 18232.20183 27802.57624 20442.2826 20022.9481 50248.35397 28870.08623 21561.63095 29749.30327 53594.05304 28198.24992 17408.93054 21213.81232 33704.05115 9784.374823 14369.94286 38179.52218 38246.85355 27320.72284 14165.78156 49338.1283 39174.65528 21688.81006 33627.96677 31619.09624 26478.00841 51323.25033 39220.76167 40095.02016 44969.00754 13497.01364 29716.04168 49289.09286 71040.71096 31761.97711 31027.50373 29305.76292 13647.14733 23501.39919 37251.3269 22624.92181 29275.25118 22811.88306 CAR 16:1 241954.4911 68594.37473 34297.39923 24789.55675 101702.0843 77030.09249 38537.05696 73704.96676 85275.84893 43612.77439 36722.76345 98358.98312 79856.51005 21791.04507 147723.735 291357.861 75668.13958 45439.6851 46586.82069 19140.63301 61708.57136 34839.37987 53254.4099 104364.6728 112569.297 83919.54435 58110.36597 126644.097 79833.02655 49390.952 103940.1621 166414.8633 108319.698 80011.16847 191470.0964 168804.9837 54055.51953 142292.8672 95101.31087 45515.81353 88599.13855 107046.6387 132062.8298 125771.7235 137117.8509 232755.7707 170258.9471 117520.3969 183544.8485 131549.9059 176258.6126 248769.1237 109523.4265 121787.6524 216564.5651 35668.19425 91466.25632 134504.2694 251959.7344 184529.3621 183962.6214 113290.8555 55058.19985 105943.1141 130306.8876 151700.7576 206549.7423 94904.62975 CAR 16:0 793337.3811 235919.1138 427047.0373 227606.7937 511606.2343 384252.0816 207511.151 278024.9809 425975.5032 189614.1089 313507.6897 388550.7219 364918.0998 182202.5481 655224.239 736978.2713 382360.9394 399042.3929 279531.1484 189012.0059 378056.397 124528.4066 261384.8695 578067.6014 434783.3838 435077.8568 427293.4173 463832.7776 297438.5954 283452.2025 576994.3556 559830.2315 783426.34 515852.5653 686054.1552 568772.8736 287192.0025 540216.2679 442183.1182 184995.9956 332369.8952 531322.0602 439109.2711 591814.6175 452072.4716 674305.7301 620940.0722 387581.0504 759269.843 654452.0631 462239.3484 662604.331 524748.8931 641045.3618 793538.5421 423225.8652 468031.2629 493438.3461 1175870.249 481337.8139 635511.1013 394121.3026 302546.0594 585781.937 549978.0498 588991.1752 456216.7561 400447.0749 CAR 16:1;OH 27738.13476 4316.052856 32413.60041 7662.870413 17779.34224 13218.46147 16514.87678 7045.477631 12601.36558 14252.39732 14250.44588 24006.87582 13551.17604 9736.690868 26765.64673 41129.73637 10457.31107 15295.68945 14084.54629 9570.906732 10690.29325 4355.10635 9763.203656 28169.69521 20353.31446 23040.87283 23359.96047 16474.34713 5841.308386 13349.12927 16731.28339 20450.16144 55443.61889 23721.9487 48423.43078 23431.78588 8702.199039 12418.55218 18456.47045 8809.862312 15742.66694 31880.38385 16759.93464 24117.08011 19656.61231 30666.7397 19392.38753 14587.89412 22168.94002 23822.69168 20047.8762 31571.45555 28201.10558 19090.21094 24619.91972 7631.429243 13681.06426 17747.98845 65546.08644 18968.72849 29692.86158 10772.04855 11762.59186 16623.49485 22077.59138 26191.05006 13011.79773 12814.02035 CAR 18:2 379271.6837 219633.2518 197770.6164 133865.4256 177083.7408 145857.0487 204118.4737 110542.6138 118041.4159 92435.57568 149630.8396 226576.8363 223608.3159 95972.92451 421205.1153 388084.2691 263209.9332 215495.1226 160347.9415 66037.10312 128282.7458 94506.3923 135358.2727 336448.5305 318729.0357 117507.9144 128764.679 218737.7129 160152.4151 146837.5085 280383.4079 416653.4373 436863.1106 208271.4994 429551.1594 343147.5787 118646.7038 287175.7469 341860.6146 177658.6228 127738.1911 423901.8003 187039.6776 284223.9644 266953.8406 431314.3916 224572.4697 100948.2957 391036.6845 185920.8817 240210.2131 432875.9653 413631.8429 329128.0695 435084.7322 98331.94135 266224.1954 272136.9885 856427.5394 367865.0243 173292.8557 157027.8784 254085.7451 259423.5455 298248.7764 383912.2227 354564.3516 168197.4607 CAR 18:1 705475.0244 237862.4321 409186.7106 196078.0819 243935.8458 345480.9845 354850.3969 201053.684 333944.738 208625.114 273534.8743 479642.6174 419635.8538 184076.3205 926231.8999 857620.6557 451148.2576 307734.4448 283321.2211 131130.6352 316849.6594 155057.0745 548526.2315 636793.3786 534818.403 371726.0758 500862.2727 372237.7824 336385.3819 291891.3675 636808.73 873277.8533 929480.4588 528296.4396 799920.677 593365.8707 360558.1533 477556.8114 607893.8634 260888.6381 299981.3522 628528.2199 408244.22 699354.1874 614400.5767 947884.459 506883.8413 369088.548 856177.1814 635940.8944 771593.9219 1197068.135 782696.1797 718530.0444 707005.0333 169654.9743 522587.268 608538.7202 1801395.219 738702.5944 491043.673 379622.4898 526614.5881 464619.8779 714747.7903 732986.7778 489491.1112 395683.027 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID KEGG Inchikey 3-Hydroxyanthranilic acid 86 C00632 WJXSWCUQABXPFS-UHFFFAOYSA-N 5-Hydroxyindoleacetic acid 1826 C05635 DUUGKQCEGZLZNO-UHFFFAOYSA-N Acetylcholine 187 C01996 OIPILFWXSMYKGL-UHFFFAOYSA-N Alanine 5950 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N Allantoin 204 C01551 POJWUDADGALRAB-UHFFFAOYSA-N sn-Glycero-3-phosphocholine 657272 D07349 SUHOQUVVVLNYQR-MRVPVSSYSA-N Arginine 28782 C00062 ODKSFYDXXFIFQN-BYPYZUCNSA-N Asparagine 6267 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N Aspartic acid 5960 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N Betaine 247 C00719 KWIUHFFTVRNATP-UHFFFAOYSA-N Carnitine 10917 C00318 PHIQHXFUZVPYII-ZCFIWIBFSA-N Choline 305 C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N trans-4-Hydroxyproline 5810 C01157 PMMYEEVYMWASQN-DMTCNVIQSA-N Citrulline 6992098 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N Creatine 586 C00300 CVSVTCORWBXHQV-UHFFFAOYSA-N Creatinine 588 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N Cytidine 6175 C00475 UHDGCWIWMRVCDJ-XVFCMESISA-N Dimethylglycine 673 C01026 FFDGPVCHZBVARC-UHFFFAOYSA-N Asymmetric-dimethyl-L-arginine 123831 YDGMGEXADBMOMJ-LURJTMIESA-N Glucosamine 441477 C08349 MSWZFWKMSRAUBD-QZABAPFNSA-N SUM_Monosaccharides Glutamic acid 33032 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N Glutamine 5961 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N Glycine 5257127 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N Histidine 6274 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N Hypoxanthine 790 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N IMP 8582 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N Inosine 135398641 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N Isoleucine 6306 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N Kynurenic acid 3845 C01717 HCZHHEIFKROPDY-UHFFFAOYSA-N Leucine 6106 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N Lysine 5962 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N Methionine 5255805 C01733 FFEARJCKVFRZRR-UHFFFAOYSA-N Ureidopropionic acid 111 C02642 JSJWCHRYRHKBBW-UHFFFAOYSA-N Nicotinamide 936 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N N-monomethyl-L-arginine 28782 C00062 ODKSFYDXXFIFQN-BYPYZUCNSA-N Ornithine 6262 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N Phenylalanine 6140 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N Proline 145742 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N Serine 5951 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N Serotonin 5202 C00780 QZAYGJVTTNCVMB-UHFFFAOYSA-N Symmetric dimethyl-L-arginine 17801140 NWGZOALPWZDXNG-UHFFFAOYSA-N Taurine 1123 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N Threonine 6288 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N Thyroxine 25201348 C01829 XUIIKFGFIJCVMT-LBPRGKRZSA-N Liothyronine 5920 C02465 AUYYCJSJGJYCDS-LBPRGKRZSA-N Tryptophan 6305 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N Tyrosine 6057 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N Uracil 1174 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N Valine 6287 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N Xanthosine 64959 C01762 UBORTCNDUKBEOP-UUOKFMHZSA-N CAR 2:0 18230 RDHQFKQIGNGIED-QMMMGPOBSA-N CAR 3:0 188824 UFAHZIUFPNSHSL-MRVPVSSYSA-N CAR 4:0 168379 LRCNOZRCYBNMEP-SECBINFHSA-N CAR DC3:0 22833583 ZGNBLKBZJBJFDG-ZETCQYMHSA-N CAR 6:0;OH 53481624 VYEONLJQPYRKAN-DTIOYNMSSA-N CAR DC5:0 3036008 HYVXOSFJMKWZGF-UHFFFAOYSA-N CAR 8:1 70679121 LOSHAHDSFZXVCT-LXKVQUBZSA-N CAR 8:0 70679121 LOSHAHDSFZXVCT-LXKVQUBZSA-N CAR DC5:0;3Me 128145 HFCPFJNSBPQJDP-UHFFFAOYSA-N CAR 10:1 71464497 OQWOHRPOYAVIOK-KTKRTIGZSA-N CAR 10:0 11953821 LZOSYCMHQXPBFU-OAHLLOKOSA-N CAR 12:1 168381 FUJLYHJROOYKRA-QGZVFWFLSA-N CAR 12:0 168381 FUJLYHJROOYKRA-QGZVFWFLSA-N CAR 14:1 22833575 NNCBVXBBLABOCB-SEYXRHQNSA-N CAR 14:0 53477791 PSHXNVGSVNEJBD-LJQANCHMSA-N CAR 16:1 71464547 JFAGPSOZZSTLRF-KHPPLWFESA-N CAR 16:0 11953816 XOMRRQXKHMYMOC-OAQYLSRUSA-N CAR 16:1;OH 71464549 XIOFWXBRLXTMQD-KHPPLWFESA-N CAR 18:2 51000598 MJLXQSQYKZWZCB-UTJQPWESSA-N CAR 18:1 6441392 IPOLTUVFXFHAHI-SEYXRHQNSA-N METABOLITES_END #END