#METABOLOMICS WORKBENCH wsa224_20200615_000358_mwtab.txt DATATRACK_ID:2054 STUDY_ID:ST001400 ANALYSIS_ID:AN002340 PROJECT_ID:PR000960 VERSION 1 CREATED_ON June 18, 2020, 11:24 am #PROJECT PR:PROJECT_TITLE Identification of distinct metabolic perturbations and associated PR:PROJECT_TITLE immunomodulatory events during intra-erythrocytic development stage of pediatric PR:PROJECT_TITLE Plasmodium falciparum malaria PR:PROJECT_SUMMARY The goal of this study was to interrogate biochemical profiles manifested in PR:PROJECT_SUMMARY human serum samples originating from a cohort of West African children, PR:PROJECT_SUMMARY collected before and during P. falciparum malarial infection, with the aim of PR:PROJECT_SUMMARY characterizing metabolic perturbation associated with severity of malarial PR:PROJECT_SUMMARY infection. PR:INSTITUTE New York University Abu Dhabi PR:DEPARTMENT Biology Department PR:LABORATORY Idaghdour Laboratory PR:LAST_NAME Abdrabou PR:FIRST_NAME Wael PR:ADDRESS Saadiyat Island, P.O Box 129188, Abu Dhabi PR:EMAIL wsa224@nyu.edu PR:PHONE 0562729855 #STUDY ST:STUDY_TITLE Identification of distinct metabolic perturbations and associated ST:STUDY_TITLE immunomodulatory events during intra-erythrocytic development stage of pediatric ST:STUDY_TITLE Plasmodium falciparum malaria ST:STUDY_SUMMARY The goal of this study was to interrogate biochemical profiles manifested in ST:STUDY_SUMMARY human serum samples originating from a cohort of West African children, ST:STUDY_SUMMARY collected before and during P. falciparum malarial infection, with the aim of ST:STUDY_SUMMARY characterizing metabolic migration associated with severity of malarial ST:STUDY_SUMMARY infection. ST:INSTITUTE New York University Abu Dhabi ST:LAST_NAME Abdrabou ST:FIRST_NAME Wael ST:ADDRESS Saadiyat Island, P.O Box 129188, Abu Dhabi ST:EMAIL wsa224@nyu.edu ST:PHONE 0562729855 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 200 ST:NUM_MALES 109 ST:NUM_FEMALES 90 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 2-12 years SU:WEIGHT_OR_WEIGHT_RANGE 11-30 Kilograms SU:HEIGHT_OR_HEIGHT_RANGE 85 - 137 cm SU:GENDER Male and female SU:HUMAN_ETHNICITY Gouin (Burkina Faso, West Africa) SU:HUMAN_INCLUSION_CRITERIA residency in the Nafona- and Bounouna rural area in Burkina Faso, age of 2 to 12 SU:HUMAN_INCLUSION_CRITERIA years, no P. falciparum infection at the time of enrollment (as evidenced by SU:HUMAN_INCLUSION_CRITERIA malaria rapid diagnostic test and confirmed later with microscopy and qPCR), no SU:HUMAN_INCLUSION_CRITERIA fever (axillary temperature ≥37.5°C) or history of fever within the preceding SU:HUMAN_INCLUSION_CRITERIA 48 hours SU:HUMAN_EXCLUSION_CRITERIA history of immunosuppressive diseases or chronic diseases, signs of concomitant SU:HUMAN_EXCLUSION_CRITERIA febrile illness or active infection, use of anti-malarial treatment within the SU:HUMAN_EXCLUSION_CRITERIA preceding two weeks, use of immunosuppressant or other immune-modifying drugs SU:HUMAN_EXCLUSION_CRITERIA within the preceding six months and receiving blood transfusion within the SU:HUMAN_EXCLUSION_CRITERIA preceding three months #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS PAG001 PAG001_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=74; GENDER=Male; Parasitemia=149; Log2 Parasitemia=7.22; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.676864284; Monocytes (%)=8.850000381; White Blood Cell Count=6.610000134; RAW_FILE_NAME=PAG001_Inf.raw SUBJECT_SAMPLE_FACTORS PAG002 PAG002_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.970000267; Ratio Lymphocytes/Neutrophils (%)=3.41262; Monocytes (%)=4.789999962; White Blood Cell Count=5.83; RAW_FILE_NAME=PAG002_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG002 PAG002_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=66; GENDER=Female; Parasitemia=6695; Log2 Parasitemia=12.71; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=0.260572982; Monocytes (%)=6.789999962; White Blood Cell Count=8.079999924; RAW_FILE_NAME=PAG002_Inf.raw SUBJECT_SAMPLE_FACTORS PAG005 PAG005_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.432812512; Monocytes (%)=6; White Blood Cell Count=16.5; RAW_FILE_NAME=PAG005_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG005 PAG005_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=74; GENDER=Female; Parasitemia=14860; Log2 Parasitemia=13.86; Hemoglobin=12.5; Ratio Lymphocytes/Neutrophils (%)=0.27377521; Monocytes (%)=10.5; White Blood Cell Count=12; RAW_FILE_NAME=PAG005_Inf.raw SUBJECT_SAMPLE_FACTORS PAG006 PAG006_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=37; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=2.127819491; Monocytes (%)=8.210000038; White Blood Cell Count=7.4; RAW_FILE_NAME=PAG006_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG006 PAG006_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=38; GENDER=Male; Parasitemia=685; Log2 Parasitemia=9.42; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=0.277628049; Monocytes (%)=3.579999924; White Blood Cell Count=17.89999962; RAW_FILE_NAME=PAG006_Inf.raw SUBJECT_SAMPLE_FACTORS PAG007 PAG007_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=1; Ratio Lymphocytes/Neutrophils (%)=1; Monocytes (%)=-; White Blood Cell Count=1; RAW_FILE_NAME=PAG007_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG007 PAG007_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=88; GENDER=Female; Parasitemia=19071; Log2 Parasitemia=14.22; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=1.243176164; Monocytes (%)=5.599999905; White Blood Cell Count=3.400000095; RAW_FILE_NAME=PAG007_Inf.raw SUBJECT_SAMPLE_FACTORS PAG008 PAG008_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=1.699114999; Monocytes (%)=1.710000038; White Blood Cell Count=6.44; RAW_FILE_NAME=PAG008_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG008 PAG008_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=46992; Log2 Parasitemia=15.52; Hemoglobin=9.100000381; Ratio Lymphocytes/Neutrophils (%)=0.179197991; Monocytes (%)=4.599999905; White Blood Cell Count=4.900000095; RAW_FILE_NAME=PAG008_Inf.raw SUBJECT_SAMPLE_FACTORS PAG009 PAG009_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=1; Ratio Lymphocytes/Neutrophils (%)=1; Monocytes (%)=1; White Blood Cell Count=1; RAW_FILE_NAME=PAG009_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG010 PAG010_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=16.61930783; Monocytes (%)=1.812; White Blood Cell Count=12.2; RAW_FILE_NAME=PAG010_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG010 PAG010_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=131; Log2 Parasitemia=7.03; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.437392802; Monocytes (%)=13; White Blood Cell Count=7.900000095; RAW_FILE_NAME=PAG010_Inf.raw SUBJECT_SAMPLE_FACTORS PAG011 PAG011_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.19999981; Ratio Lymphocytes/Neutrophils (%)=0.919037199; Monocytes (%)=7.849999905; White Blood Cell Count=4.53; RAW_FILE_NAME=PAG011_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG011 PAG011_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=735; Log2 Parasitemia=9.52; Hemoglobin=9.399999619; Ratio Lymphocytes/Neutrophils (%)=0.514731376; Monocytes (%)=9.149999619; White Blood Cell Count=3.960000038; RAW_FILE_NAME=PAG011_Inf.raw SUBJECT_SAMPLE_FACTORS PAG014 PAG014_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=1.25; Monocytes (%)=7.110000134; White Blood Cell Count=9.46; RAW_FILE_NAME=PAG014_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG014 PAG014_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=55472; Log2 Parasitemia=15.76; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=0.145341613; Monocytes (%)=5.300000191; White Blood Cell Count=7; RAW_FILE_NAME=PAG014_Inf.raw SUBJECT_SAMPLE_FACTORS PAG015 PAG015_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=52; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.370786496; Monocytes (%)=8.100000381; White Blood Cell Count=7.69; RAW_FILE_NAME=PAG015_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG016 PAG016_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=89; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.80000019; Ratio Lymphocytes/Neutrophils (%)=1.306220059; Monocytes (%)=1.220000029; White Blood Cell Count=6.77; RAW_FILE_NAME=PAG016_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG016 PAG016_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=90; GENDER=Male; Parasitemia=117398; Log2 Parasitemia=16.84; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.32467531; Monocytes (%)=6.119999886; White Blood Cell Count=6.320000172; RAW_FILE_NAME=PAG016_Inf.raw SUBJECT_SAMPLE_FACTORS PAG018 PAG018_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=49; GENDER=Female; Parasitemia=2696; Log2 Parasitemia=11.4; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=0.749042105; Monocytes (%)=6.940000057; White Blood Cell Count=9.479999542; RAW_FILE_NAME=PAG018_Inf.raw SUBJECT_SAMPLE_FACTORS PAG019 PAG019_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=1.588279157; Monocytes (%)=1.264; White Blood Cell Count=5.77; RAW_FILE_NAME=PAG019_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG019 PAG019_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Male; Parasitemia=71381; Log2 Parasitemia=16.12; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=0.119474317; Monocytes (%)=5; White Blood Cell Count=9.300000191; RAW_FILE_NAME=PAG019_Inf.raw SUBJECT_SAMPLE_FACTORS PAG020 PAG020_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=85; GENDER=Female; Parasitemia=1500; Log2 Parasitemia=10.55; Hemoglobin=10.19999981; Ratio Lymphocytes/Neutrophils (%)=1.083526738; Monocytes (%)=8; White Blood Cell Count=10.10000038; RAW_FILE_NAME=PAG020_Inf.raw SUBJECT_SAMPLE_FACTORS PAG021 PAG021_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.063231886; Monocytes (%)=9.010000229; White Blood Cell Count=9.7; RAW_FILE_NAME=PAG021_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG021 PAG021_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Female; Parasitemia=19138; Log2 Parasitemia=14.22; Hemoglobin=8.550000191; Ratio Lymphocytes/Neutrophils (%)=0.671739122; Monocytes (%)=18.5; White Blood Cell Count=11.19999981; RAW_FILE_NAME=PAG021_Inf.raw SUBJECT_SAMPLE_FACTORS PAG024 PAG024_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=68; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.89999962; Ratio Lymphocytes/Neutrophils (%)=1.203619927; Monocytes (%)=1.99000001; White Blood Cell Count=6.05; RAW_FILE_NAME=PAG024_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG025 PAG025_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=77; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.428571429; Monocytes (%)=1.690000057; White Blood Cell Count=6.83; RAW_FILE_NAME=PAG025_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG028 PAG028_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=59; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.03084829; Monocytes (%)=8.079999924; White Blood Cell Count=6.49; RAW_FILE_NAME=PAG028_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG028 PAG028_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Male; Parasitemia=351515; Log2 Parasitemia=18.42; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.523966955; Monocytes (%)=4.119999886; White Blood Cell Count=3.839999914; RAW_FILE_NAME=PAG028_Inf.raw SUBJECT_SAMPLE_FACTORS PAG029 PAG029_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=2.006467026; Monocytes (%)=23.29; White Blood Cell Count=6.5; RAW_FILE_NAME=PAG029_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG029 PAG029_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=86; GENDER=Male; Parasitemia=52046; Log2 Parasitemia=15.67; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.17335057; Monocytes (%)=8; White Blood Cell Count=8.199999809; RAW_FILE_NAME=PAG029_Inf.raw SUBJECT_SAMPLE_FACTORS PAG030 PAG030_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=1.645962733; Monocytes (%)=11.30000019; White Blood Cell Count=7.32; RAW_FILE_NAME=PAG030_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG030 PAG030_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Female; Parasitemia=113672; Log2 Parasitemia=16.79; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=0.289732782; Monocytes (%)=5.550000191; White Blood Cell Count=18.79999924; RAW_FILE_NAME=PAG030_Inf.raw SUBJECT_SAMPLE_FACTORS PAG031 PAG031_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=0.333333344; Monocytes (%)=2.390000105; White Blood Cell Count=12.8; RAW_FILE_NAME=PAG031_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG031 PAG031_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Male; Parasitemia=84966; Log2 Parasitemia=16.37; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.315789475; Monocytes (%)=13.39999962; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG031_Inf.raw SUBJECT_SAMPLE_FACTORS PAG034 PAG034_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.899999619; Ratio Lymphocytes/Neutrophils (%)=1.821316566; Monocytes (%)=2.359999895; White Blood Cell Count=6.31; RAW_FILE_NAME=PAG034_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG034 PAG034_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=57; GENDER=Male; Parasitemia=1863; Log2 Parasitemia=10.86; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=1.165816323; Monocytes (%)=8.5; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG034_Inf.raw SUBJECT_SAMPLE_FACTORS PAG035 PAG035_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=44; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=8.880000114; Ratio Lymphocytes/Neutrophils (%)=0.770791075; Monocytes (%)=7.360000134; White Blood Cell Count=8.01; RAW_FILE_NAME=PAG035_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG035 PAG035_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=50; GENDER=Male; Parasitemia=56794; Log2 Parasitemia=15.79; Hemoglobin=9.199999809; Ratio Lymphocytes/Neutrophils (%)=0.184174617; Monocytes (%)=11.5; White Blood Cell Count=9.300000191; RAW_FILE_NAME=PAG035_Inf.raw SUBJECT_SAMPLE_FACTORS PAG036 PAG036_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=0.648550711; Monocytes (%)=1.570000052; White Blood Cell Count=9.97; RAW_FILE_NAME=PAG036_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG036 PAG036_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Male; Parasitemia=22275; Log2 Parasitemia=14.44; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.1073658; Monocytes (%)=9.300000191; White Blood Cell Count=8.5; RAW_FILE_NAME=PAG036_Inf.raw SUBJECT_SAMPLE_FACTORS PAG037 PAG037_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.811860956; Monocytes (%)=6.46999979; White Blood Cell Count=7.43; RAW_FILE_NAME=PAG037_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG037 PAG037_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Male; Parasitemia=201667; Log2 Parasitemia=17.62; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=0.120051076; Monocytes (%)=9.800000191; White Blood Cell Count=8.100000381; RAW_FILE_NAME=PAG037_Inf.raw SUBJECT_SAMPLE_FACTORS PAG038 PAG038_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=47; GENDER=Male; Parasitemia=176878; Log2 Parasitemia=17.43; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=0.174770045; Monocytes (%)=8.300000191; White Blood Cell Count=9.800000191; RAW_FILE_NAME=PAG038_Inf.raw SUBJECT_SAMPLE_FACTORS PAG039 PAG039_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=79; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=1.219047637; Monocytes (%)=4.059999943; White Blood Cell Count=6.27; RAW_FILE_NAME=PAG039_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG043 PAG043_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=36; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.5; Ratio Lymphocytes/Neutrophils (%)=1.167053347; Monocytes (%)=1.950000048; White Blood Cell Count=10; RAW_FILE_NAME=PAG043_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG044 PAG044_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=45; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=2.350746269; Monocytes (%)=5.820000172; White Blood Cell Count=9.29; RAW_FILE_NAME=PAG044_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG044 PAG044_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Female; Parasitemia=52774; Log2 Parasitemia=15.69; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=0.202531646; Monocytes (%)=3; White Blood Cell Count=11.19999981; RAW_FILE_NAME=PAG044_Inf.raw SUBJECT_SAMPLE_FACTORS PAG046 PAG046_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=54; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=0.705999985; Monocytes (%)=5.590000153; White Blood Cell Count=10.5; RAW_FILE_NAME=PAG046_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG049 PAG049_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=0.849898611; Monocytes (%)=6.800000191; White Blood Cell Count=7.47; RAW_FILE_NAME=PAG049_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG049 PAG049_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=86; GENDER=Male; Parasitemia=106910; Log2 Parasitemia=16.71; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.12864721; Monocytes (%)=12.89999962; White Blood Cell Count=13.30000019; RAW_FILE_NAME=PAG049_Inf.raw SUBJECT_SAMPLE_FACTORS PAG053 PAG053_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.685185138; Monocytes (%)=7.559999943; White Blood Cell Count=6.47; RAW_FILE_NAME=PAG053_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG053 PAG053_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=52; GENDER=Female; Parasitemia=53000; Log2 Parasitemia=15.69; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.279874209; Monocytes (%)=16.29999924; White Blood Cell Count=7.900000095; RAW_FILE_NAME=PAG053_Inf.raw SUBJECT_SAMPLE_FACTORS PAG054 PAG054_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=2.690376697; Monocytes (%)=8.289999962; White Blood Cell Count=4.55; RAW_FILE_NAME=PAG054_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG054 PAG054_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=55; GENDER=Female; Parasitemia=17497; Log2 Parasitemia=14.09; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.216216204; Monocytes (%)=11.69999981; White Blood Cell Count=5.900000095; RAW_FILE_NAME=PAG054_Inf.raw SUBJECT_SAMPLE_FACTORS PAG055 PAG055_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.130000114; Ratio Lymphocytes/Neutrophils (%)=0.957537123; Monocytes (%)=4.710000038; White Blood Cell Count=8.29; RAW_FILE_NAME=PAG055_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG055 PAG055_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Female; Parasitemia=194371; Log2 Parasitemia=17.57; Hemoglobin=9.5; Ratio Lymphocytes/Neutrophils (%)=0.615523421; Monocytes (%)=8.399999619; White Blood Cell Count=8.800000191; RAW_FILE_NAME=PAG055_Inf.raw SUBJECT_SAMPLE_FACTORS PAG056 PAG056_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.854545439; Monocytes (%)=4.159999847; White Blood Cell Count=8.73; RAW_FILE_NAME=PAG056_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG056 PAG056_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Male; Parasitemia=6234; Log2 Parasitemia=12.602356; Hemoglobin=9; Ratio Lymphocytes/Neutrophils (%)=0.197956577; Monocytes (%)=4.8; White Blood Cell Count=7.3; RAW_FILE_NAME=PAG056_Inf.raw SUBJECT_SAMPLE_FACTORS PAG057 PAG057_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.832618009; Monocytes (%)=9.449999809; White Blood Cell Count=8.45; RAW_FILE_NAME=PAG057_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG057 PAG057_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Male; Parasitemia=140; Log2 Parasitemia=7.13; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.727634175; Monocytes (%)=10.39999962; White Blood Cell Count=9.600000381; RAW_FILE_NAME=PAG057_Inf.raw SUBJECT_SAMPLE_FACTORS PAG058 PAG058_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=1.188916896; Monocytes (%)=9.829999924; White Blood Cell Count=4.48; RAW_FILE_NAME=PAG058_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG058 PAG058_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=120845; Log2 Parasitemia=16.88; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.161417332; Monocytes (%)=9.600000381; White Blood Cell Count=8.199999809; RAW_FILE_NAME=PAG058_Inf.raw SUBJECT_SAMPLE_FACTORS PAG060 PAG060_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.209638573; Monocytes (%)=5.760000229; White Blood Cell Count=13.3; RAW_FILE_NAME=PAG060_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG060 PAG060_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=59; GENDER=Female; Parasitemia=4765; Log2 Parasitemia=12.22; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.290132553; Monocytes (%)=10; White Blood Cell Count=11.89999962; RAW_FILE_NAME=PAG060_Inf.raw SUBJECT_SAMPLE_FACTORS PAG061 PAG061_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=69; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.193621903; Monocytes (%)=1.50999999; White Blood Cell Count=5.98; RAW_FILE_NAME=PAG061_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG061 PAG061_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=71; GENDER=Male; Parasitemia=61206; Log2 Parasitemia=15.9; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.701825538; Monocytes (%)=14.80000019; White Blood Cell Count=7; RAW_FILE_NAME=PAG061_Inf.raw SUBJECT_SAMPLE_FACTORS PAG062 PAG062_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=37; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=1.885245902; Monocytes (%)=4.260000229; White Blood Cell Count=7.82; RAW_FILE_NAME=PAG062_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG062 PAG062_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=39; GENDER=Male; Parasitemia=370; Log2 Parasitemia=8.531381461; Hemoglobin=10.7; Ratio Lymphocytes/Neutrophils (%)=6.828571429; Monocytes (%)=27; White Blood Cell Count=8; RAW_FILE_NAME=PAG062_Inf.raw SUBJECT_SAMPLE_FACTORS PAG063 PAG063_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=13; Ratio Lymphocytes/Neutrophils (%)=1.097852029; Monocytes (%)=5.199999809; White Blood Cell Count=5.01; RAW_FILE_NAME=PAG063_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG063 PAG063_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=75; GENDER=Female; Parasitemia=22690; Log2 Parasitemia=14.47; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=0.099273607; Monocytes (%)=7.800000191; White Blood Cell Count=9.300000191; RAW_FILE_NAME=PAG063_Inf.raw SUBJECT_SAMPLE_FACTORS PAG064 PAG064_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=76; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.30000019; Ratio Lymphocytes/Neutrophils (%)=0.973614816; Monocytes (%)=4.03000021; White Blood Cell Count=10.8; RAW_FILE_NAME=PAG064_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG064 PAG064_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Male; Parasitemia=110608; Log2 Parasitemia=16.76; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=0.268398262; Monocytes (%)=9.600000381; White Blood Cell Count=6.599999905; RAW_FILE_NAME=PAG064_Inf.raw SUBJECT_SAMPLE_FACTORS PAG069 PAG069_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=45; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=1.166259187; Monocytes (%)=7.849999905; White Blood Cell Count=6.17; RAW_FILE_NAME=PAG069_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG069 PAG069_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Male; Parasitemia=45660; Log2 Parasitemia=15.48; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.285470098; Monocytes (%)=23.10000038; White Blood Cell Count=10; RAW_FILE_NAME=PAG069_Inf.raw SUBJECT_SAMPLE_FACTORS PAG070 PAG070_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=75; GENDER=Female; Parasitemia=3849; Log2 Parasitemia=11.91; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=1.016316944; Monocytes (%)=9.899999619; White Blood Cell Count=4.400000095; RAW_FILE_NAME=PAG070_Inf.raw SUBJECT_SAMPLE_FACTORS PAG071 PAG071_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.732673267; Monocytes (%)=6.489999771; White Blood Cell Count=6.69; RAW_FILE_NAME=PAG071_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG071 PAG071_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=169277; Log2 Parasitemia=17.37; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=0.127906977; Monocytes (%)=1; White Blood Cell Count=6.400000095; RAW_FILE_NAME=PAG071_Inf.raw SUBJECT_SAMPLE_FACTORS PAG074 PAG074_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=1.199501209; Monocytes (%)=6.360000134; White Blood Cell Count=6.41; RAW_FILE_NAME=PAG074_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG074 PAG074_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=125478; Log2 Parasitemia=16.94; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=1.17241379; Monocytes (%)=14.30000019; White Blood Cell Count=5; RAW_FILE_NAME=PAG074_Inf.raw SUBJECT_SAMPLE_FACTORS PAG076 PAG076_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=1.042410731; Monocytes (%)=4.5; White Blood Cell Count=6.75; RAW_FILE_NAME=PAG076_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG076 PAG076_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Female; Parasitemia=24261; Log2 Parasitemia=14.5663514; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=0.664717329; Monocytes (%)=12.10000038; White Blood Cell Count=5.400000095; RAW_FILE_NAME=PAG076_Inf.raw SUBJECT_SAMPLE_FACTORS PAG077 PAG077_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=1.494186091; Monocytes (%)=8.210000038; White Blood Cell Count=6.86; RAW_FILE_NAME=PAG077_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG077 PAG077_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=23063; Log2 Parasitemia=14.49; Hemoglobin=9.100000381; Ratio Lymphocytes/Neutrophils (%)=0.772727276; Monocytes (%)=15.89999962; White Blood Cell Count=7.099999905; RAW_FILE_NAME=PAG077_Inf.raw SUBJECT_SAMPLE_FACTORS PAG080 PAG080_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=0.774774775; Monocytes (%)=0.270000011; White Blood Cell Count=9.52; RAW_FILE_NAME=PAG080_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG080 PAG080_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=90; GENDER=Female; Parasitemia=27979; Log2 Parasitemia=14.77; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=0.172110554; Monocytes (%)=5.300000191; White Blood Cell Count=11.10000038; RAW_FILE_NAME=PAG080_Inf.raw SUBJECT_SAMPLE_FACTORS PAG081 PAG081_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=62; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=1.948387146; Monocytes (%)=4.739999771; White Blood Cell Count=7.49; RAW_FILE_NAME=PAG081_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG081 PAG081_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=11895; Log2 Parasitemia=13.54; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=1.0125284; Monocytes (%)=6.41; White Blood Cell Count=12.5; RAW_FILE_NAME=PAG081_Inf.raw SUBJECT_SAMPLE_FACTORS PAG082 PAG082_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=73; GENDER=Female; Parasitemia=1083; Log2 Parasitemia=10.08; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=1.789297682; Monocytes (%)=12.19999981; White Blood Cell Count=5.800000191; RAW_FILE_NAME=PAG082_Inf.raw SUBJECT_SAMPLE_FACTORS PAG083 PAG083_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=1.287179507; Monocytes (%)=5.599999905; White Blood Cell Count=5.04; RAW_FILE_NAME=PAG083_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG083 PAG083_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Female; Parasitemia=33696; Log2 Parasitemia=15.04; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.177261607; Monocytes (%)=2.700000048; White Blood Cell Count=13.60000038; RAW_FILE_NAME=PAG083_Inf.raw SUBJECT_SAMPLE_FACTORS PAG084 PAG084_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=77; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.930000305; Ratio Lymphocytes/Neutrophils (%)=1.485411141; Monocytes (%)=4.110000134; White Blood Cell Count=4.88; RAW_FILE_NAME=PAG084_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG084 PAG084_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Female; Parasitemia=90876; Log2 Parasitemia=16.47; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=0.106117355; Monocytes (%)=9.899999619; White Blood Cell Count=16.89999962; RAW_FILE_NAME=PAG084_Inf.raw SUBJECT_SAMPLE_FACTORS PAG085 PAG085_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=58; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=-; Ratio Lymphocytes/Neutrophils (%)=-; Monocytes (%)=-; White Blood Cell Count=-; RAW_FILE_NAME=PAG085_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG085 PAG085_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Male; Parasitemia=912; Log2 Parasitemia=9.83; Hemoglobin=9.5; Ratio Lymphocytes/Neutrophils (%)=0.409733125; Monocytes (%)=8.899999619; White Blood Cell Count=7.800000191; RAW_FILE_NAME=PAG085_Inf.raw SUBJECT_SAMPLE_FACTORS PAG086 PAG086_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.378590058; Monocytes (%)=5.159999847; White Blood Cell Count=5.13; RAW_FILE_NAME=PAG086_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG086 PAG086_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=85; GENDER=Female; Parasitemia=43652; Log2 Parasitemia=15.41; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=0.143727167; Monocytes (%)=5.090000153; White Blood Cell Count=23.89999962; RAW_FILE_NAME=PAG086_Inf.raw SUBJECT_SAMPLE_FACTORS PAG088 PAG088_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=1.180487842; Monocytes (%)=7.329999924; White Blood Cell Count=4; RAW_FILE_NAME=PAG088_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG088 PAG088_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Male; Parasitemia=26747; Log2 Parasitemia=14.71; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.333839142; Monocytes (%)=10.89999962; White Blood Cell Count=4; RAW_FILE_NAME=PAG088_Inf.raw SUBJECT_SAMPLE_FACTORS PAG093 PAG093_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=43; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.30000019; Ratio Lymphocytes/Neutrophils (%)=0.880478103; Monocytes (%)=3.400000095; White Blood Cell Count=11.4; RAW_FILE_NAME=PAG093_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG096 PAG096_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=76; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=1.263297872; Monocytes (%)=10.30000019; White Blood Cell Count=6.67; RAW_FILE_NAME=PAG096_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG096 PAG096_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Male; Parasitemia=108380; Log2 Parasitemia=16.73; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.257142869; Monocytes (%)=19.79999924; White Blood Cell Count=5.400000095; RAW_FILE_NAME=PAG096_Inf.raw SUBJECT_SAMPLE_FACTORS PAG099 PAG099_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=1.337142835; Monocytes (%)=8.890000343; White Blood Cell Count=5.47; RAW_FILE_NAME=PAG099_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG099 PAG099_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=79; GENDER=Female; Parasitemia=9263; Log2 Parasitemia=13.18; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=0.184110969; Monocytes (%)=3.480000019; White Blood Cell Count=15.19999981; RAW_FILE_NAME=PAG099_Inf.raw SUBJECT_SAMPLE_FACTORS PAG100 PAG100_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=13; Ratio Lymphocytes/Neutrophils (%)=0.64444443; Monocytes (%)=6.389999866; White Blood Cell Count=8.88; RAW_FILE_NAME=PAG100_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG100 PAG100_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Female; Parasitemia=5085; Log2 Parasitemia=12.31; Hemoglobin=8.600000381; Ratio Lymphocytes/Neutrophils (%)=0.777546834; Monocytes (%)=13.19999981; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG100_Inf.raw SUBJECT_SAMPLE_FACTORS PAG101 PAG101_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=0.435215959; Monocytes (%)=9.550000191; White Blood Cell Count=10.6; RAW_FILE_NAME=PAG101_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG101 PAG101_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=97; GENDER=Male; Parasitemia=19649; Log2 Parasitemia=14.26; Hemoglobin=8.81000042; Ratio Lymphocytes/Neutrophils (%)=0.932017575; Monocytes (%)=4.670000076; White Blood Cell Count=6.179999828; RAW_FILE_NAME=PAG101_Inf.raw SUBJECT_SAMPLE_FACTORS PAG102 PAG102_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=1.566929154; Monocytes (%)=0.699000001; White Blood Cell Count=7.06; RAW_FILE_NAME=PAG102_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG102 PAG102_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Male; Parasitemia=244; Log2 Parasitemia=7.93; Hemoglobin=9.5; Ratio Lymphocytes/Neutrophils (%)=0.969976922; Monocytes (%)=13; White Blood Cell Count=6.300000191; RAW_FILE_NAME=PAG102_Inf.raw SUBJECT_SAMPLE_FACTORS PAG107 PAG107_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=62; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.762962977; Monocytes (%)=2.039999962; White Blood Cell Count=6.56; RAW_FILE_NAME=PAG107_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG107 PAG107_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=501; Log2 Parasitemia=8.97; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=0.160621763; Monocytes (%)=9; White Blood Cell Count=7.800000191; RAW_FILE_NAME=PAG107_Inf.raw SUBJECT_SAMPLE_FACTORS PAG110 PAG110_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=47; GENDER=Female; Parasitemia=2440; Log2 Parasitemia=11.25; Hemoglobin=9; Ratio Lymphocytes/Neutrophils (%)=1.321621663; Monocytes (%)=12.89999962; White Blood Cell Count=5.599999905; RAW_FILE_NAME=PAG110_Inf.raw SUBJECT_SAMPLE_FACTORS PAG111 PAG111_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=48; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=1.59025788; Monocytes (%)=4.489999771; White Blood Cell Count=9.27; RAW_FILE_NAME=PAG111_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG111 PAG111_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Male; Parasitemia=96000; Log2 Parasitemia=16.55; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.294656477; Monocytes (%)=12.5; White Blood Cell Count=19.60000038; RAW_FILE_NAME=PAG111_Inf.raw SUBJECT_SAMPLE_FACTORS PAG112 PAG112_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.216358799; Monocytes (%)=6.71999979; White Blood Cell Count=8.1; RAW_FILE_NAME=PAG112_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG112 PAG112_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=69; GENDER=Male; Parasitemia=1284; Log2 Parasitemia=10.33; Hemoglobin=8.899999619; Ratio Lymphocytes/Neutrophils (%)=2.003816736; Monocytes (%)=17.60000038; White Blood Cell Count=8.300000191; RAW_FILE_NAME=PAG112_Inf.raw SUBJECT_SAMPLE_FACTORS PAG115 PAG115_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.720000267; Ratio Lymphocytes/Neutrophils (%)=2.455938639; Monocytes (%)=1; White Blood Cell Count=5.92; RAW_FILE_NAME=PAG115_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG115 PAG115_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=39676; Log2 Parasitemia=15.28; Hemoglobin=9.779999733; Ratio Lymphocytes/Neutrophils (%)=0.274666672; Monocytes (%)=2.230000019; White Blood Cell Count=11.80000019; RAW_FILE_NAME=PAG115_Inf.raw SUBJECT_SAMPLE_FACTORS PAG116 PAG116_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=121; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=1.951515198; Monocytes (%)=1.039999962; White Blood Cell Count=6.55; RAW_FILE_NAME=PAG116_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG116 PAG116_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=122; GENDER=Male; Parasitemia=1158; Log2 Parasitemia=10.18; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=0.590493579; Monocytes (%)=11.5; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG116_Inf.raw SUBJECT_SAMPLE_FACTORS PAG117 PAG117_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=95; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=1.200000036; Monocytes (%)=1.559999943; White Blood Cell Count=6.06; RAW_FILE_NAME=PAG117_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG117 PAG117_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=99; GENDER=Male; Parasitemia=19748; Log2 Parasitemia=14.27; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=0.460547521; Monocytes (%)=5.900000095; White Blood Cell Count=5.099999905; RAW_FILE_NAME=PAG117_Inf.raw SUBJECT_SAMPLE_FACTORS PAG118 PAG118_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=121; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=1.755485893; Monocytes (%)=5.130000114; White Blood Cell Count=4.95; RAW_FILE_NAME=PAG118_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG118 PAG118_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=122; GENDER=Male; Parasitemia=53084; Log2 Parasitemia=15.7; Hemoglobin=13.10000038; Ratio Lymphocytes/Neutrophils (%)=0.466141738; Monocytes (%)=5.199999809; White Blood Cell Count=4.599999905; RAW_FILE_NAME=PAG118_Inf.raw SUBJECT_SAMPLE_FACTORS PAG120 PAG120_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=106; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=1.402531684; Monocytes (%)=0.165999994; White Blood Cell Count=7.27; RAW_FILE_NAME=PAG120_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG120 PAG120_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=108; GENDER=Male; Parasitemia=493; Log2 Parasitemia=8.95; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=0.557620826; Monocytes (%)=13.80000019; White Blood Cell Count=8.600000381; RAW_FILE_NAME=PAG120_Inf.raw SUBJECT_SAMPLE_FACTORS PAG121 PAG121_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=54; GENDER=Female; Parasitemia=5381; Log2 Parasitemia=12.39; Hemoglobin=8.5; Ratio Lymphocytes/Neutrophils (%)=2.111969172; Monocytes (%)=14.10000038; White Blood Cell Count=8.300000191; RAW_FILE_NAME=PAG121_Inf.raw SUBJECT_SAMPLE_FACTORS PAG122 PAG122_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.266128991; Monocytes (%)=2.410000086; White Blood Cell Count=7.13; RAW_FILE_NAME=PAG122_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG122 PAG122_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=66; GENDER=Male; Parasitemia=21037; Log2 Parasitemia=14.36; Hemoglobin=9.300000191; Ratio Lymphocytes/Neutrophils (%)=2.96590907; Monocytes (%)=19.70000076; White Blood Cell Count=3.799999952; RAW_FILE_NAME=PAG122_Inf.raw SUBJECT_SAMPLE_FACTORS PAG123 PAG123_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=95; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=2.223529442; Monocytes (%)=7.710000038; White Blood Cell Count=5.38; RAW_FILE_NAME=PAG123_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG123 PAG123_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=97; GENDER=Female; Parasitemia=21601; Log2 Parasitemia=14.4; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=0.446666654; Monocytes (%)=11.69999981; White Blood Cell Count=6.199999809; RAW_FILE_NAME=PAG123_Inf.raw SUBJECT_SAMPLE_FACTORS PAG124 PAG124_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.658362935; Monocytes (%)=9.640000343; White Blood Cell Count=9.96; RAW_FILE_NAME=PAG124_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG124 PAG124_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Female; Parasitemia=2273; Log2 Parasitemia=11.15; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=0.246826511; Monocytes (%)=8.859999657; White Blood Cell Count=10.80000019; RAW_FILE_NAME=PAG124_Inf.raw SUBJECT_SAMPLE_FACTORS PAG126 PAG126_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=2.326848219; Monocytes (%)=4.78000021; White Blood Cell Count=4.43; RAW_FILE_NAME=PAG126_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG126 PAG126_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=66; GENDER=Male; Parasitemia=691; Log2 Parasitemia=9.43; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=1.612499952; Monocytes (%)=7.300000191; White Blood Cell Count=6.260000229; RAW_FILE_NAME=PAG126_Inf.raw SUBJECT_SAMPLE_FACTORS PAG127 PAG127_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=96; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=0.785440613; Monocytes (%)=2.74000001; White Blood Cell Count=7.65; RAW_FILE_NAME=PAG127_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG131 PAG131_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=55; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.942148729; Monocytes (%)=0.203999996; White Blood Cell Count=6.46; RAW_FILE_NAME=PAG131_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG136 PAG136_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=48; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=2.532258034; Monocytes (%)=9.319999695; White Blood Cell Count=6.55; RAW_FILE_NAME=PAG136_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG136 PAG136_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Female; Parasitemia=48044; Log2 Parasitemia=15.55; Hemoglobin=9.100000381; Ratio Lymphocytes/Neutrophils (%)=1.157360322; Monocytes (%)=13.39999962; White Blood Cell Count=6; RAW_FILE_NAME=PAG136_Inf.raw SUBJECT_SAMPLE_FACTORS PAG137 PAG137_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=62; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.393483671; Monocytes (%)=1.830000043; White Blood Cell Count=5.82; RAW_FILE_NAME=PAG137_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG137 PAG137_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=46334; Log2 Parasitemia=15.5; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.295839758; Monocytes (%)=12.5; White Blood Cell Count=10.89999962; RAW_FILE_NAME=PAG137_Inf.raw SUBJECT_SAMPLE_FACTORS PAG139 PAG139_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=42; GENDER=Male; Parasitemia=535; Log2 Parasitemia=9.06; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=1.32044194; Monocytes (%)=11.80000019; White Blood Cell Count=5.199999809; RAW_FILE_NAME=PAG139_Inf.raw SUBJECT_SAMPLE_FACTORS PAG143 PAG143_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.871794856; Monocytes (%)=8.609999657; White Blood Cell Count=9.99; RAW_FILE_NAME=PAG143_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG143 PAG143_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Male; Parasitemia=46868; Log2 Parasitemia=15.52; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.486437613; Monocytes (%)=15.69999981; White Blood Cell Count=6.099999905; RAW_FILE_NAME=PAG143_Inf.raw SUBJECT_SAMPLE_FACTORS PAG144 PAG144_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.39999962; Ratio Lymphocytes/Neutrophils (%)=1.380102002; Monocytes (%)=5.03000021; White Blood Cell Count=5.97; RAW_FILE_NAME=PAG144_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG144 PAG144_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=85; GENDER=Female; Parasitemia=79954; Log2 Parasitemia=16.29; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=0.227941176; Monocytes (%)=14.80000019; White Blood Cell Count=8.300000191; RAW_FILE_NAME=PAG144_Inf.raw SUBJECT_SAMPLE_FACTORS PAG145 PAG145_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=48; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.815573755; Monocytes (%)=8.880000114; White Blood Cell Count=3.53; RAW_FILE_NAME=PAG145_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG145 PAG145_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=50; GENDER=Male; Parasitemia=91530; Log2 Parasitemia=16.48; Hemoglobin=9.300000191; Ratio Lymphocytes/Neutrophils (%)=0.366085593; Monocytes (%)=12; White Blood Cell Count=4.300000191; RAW_FILE_NAME=PAG145_Inf.raw SUBJECT_SAMPLE_FACTORS PAG146 PAG146_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=56; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=2.154109641; Monocytes (%)=5.420000076; White Blood Cell Count=5.82; RAW_FILE_NAME=PAG146_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG146 PAG146_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=57; GENDER=Male; Parasitemia=124736; Log2 Parasitemia=16.93; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=0.795744713; Monocytes (%)=14.39999962; White Blood Cell Count=5.099999905; RAW_FILE_NAME=PAG146_Inf.raw SUBJECT_SAMPLE_FACTORS PAG147 PAG147_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=47; GENDER=Male; Parasitemia=5703; Log2 Parasitemia=12.48; Hemoglobin=8.300000191; Ratio Lymphocytes/Neutrophils (%)=2.058020505; Monocytes (%)=8.199999809; White Blood Cell Count=5.5; RAW_FILE_NAME=PAG147_Inf.raw SUBJECT_SAMPLE_FACTORS PAG148 PAG148_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=93; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.984625032; Monocytes (%)=5.166; White Blood Cell Count=6.27; RAW_FILE_NAME=PAG148_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG148 PAG148_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=94; GENDER=Female; Parasitemia=5089; Log2 Parasitemia=12.31; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.162548761; Monocytes (%)=9.600000381; White Blood Cell Count=9.699999809; RAW_FILE_NAME=PAG148_Inf.raw SUBJECT_SAMPLE_FACTORS PAG150 PAG150_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=38; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.89999962; Ratio Lymphocytes/Neutrophils (%)=0.840000032; Monocytes (%)=2.890000105; White Blood Cell Count=7.65; RAW_FILE_NAME=PAG150_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG150 PAG150_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=38; GENDER=Male; Parasitemia=10508; Log2 Parasitemia=13.36; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=0.573192232; Monocytes (%)=8.210000038; White Blood Cell Count=57.79999924; RAW_FILE_NAME=PAG150_Inf.raw SUBJECT_SAMPLE_FACTORS PAG151 PAG151_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.89999962; Ratio Lymphocytes/Neutrophils (%)=0.96989244; Monocytes (%)=5.579999924; White Blood Cell Count=5.11; RAW_FILE_NAME=PAG151_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG151 PAG151_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=55; GENDER=Female; Parasitemia=791; Log2 Parasitemia=9.63; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.131752303; Monocytes (%)=11.60000038; White Blood Cell Count=9.600000381; RAW_FILE_NAME=PAG151_Inf.raw SUBJECT_SAMPLE_FACTORS PAG153 PAG153_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.5; Ratio Lymphocytes/Neutrophils (%)=0.743589716; Monocytes (%)=3.480000019; White Blood Cell Count=6.53; RAW_FILE_NAME=PAG153_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG153 PAG153_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=98; GENDER=Male; Parasitemia=8277; Log2 Parasitemia=13.01; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=0.204819288; Monocytes (%)=8.800000191; White Blood Cell Count=5.900000095; RAW_FILE_NAME=PAG153_Inf.raw SUBJECT_SAMPLE_FACTORS PAG155 PAG155_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=55; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.869999886; Ratio Lymphocytes/Neutrophils (%)=1.024663694; Monocytes (%)=5.46999979; White Blood Cell Count=5.29; RAW_FILE_NAME=PAG155_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG155 PAG155_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=58; GENDER=Male; Parasitemia=7500; Log2 Parasitemia=12.87; Hemoglobin=9.300000191; Ratio Lymphocytes/Neutrophils (%)=1.079710123; Monocytes (%)=10.30000019; White Blood Cell Count=3.200000048; RAW_FILE_NAME=PAG155_Inf.raw SUBJECT_SAMPLE_FACTORS PAG156 PAG156_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=89; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.346456673; Monocytes (%)=7.539999962; White Blood Cell Count=4.44; RAW_FILE_NAME=PAG156_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG156 PAG156_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=90; GENDER=Female; Parasitemia=966; Log2 Parasitemia=9.92; Hemoglobin=10.19999981; Ratio Lymphocytes/Neutrophils (%)=1.797833858; Monocytes (%)=18.29999924; White Blood Cell Count=4.099999905; RAW_FILE_NAME=PAG156_Inf.raw SUBJECT_SAMPLE_FACTORS PAG157 PAG157_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.740506329; Monocytes (%)=10.69999981; White Blood Cell Count=4.62; RAW_FILE_NAME=PAG157_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG157 PAG157_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=98; GENDER=Female; Parasitemia=35225; Log2 Parasitemia=15.1; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=3.021587426; Monocytes (%)=31.625; White Blood Cell Count=9.899999619; RAW_FILE_NAME=PAG157_Inf.raw SUBJECT_SAMPLE_FACTORS PAG158 PAG158_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=30.61891516; Monocytes (%)=0.57; White Blood Cell Count=5.37; RAW_FILE_NAME=PAG158_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG158 PAG158_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=176905; Log2 Parasitemia=17.43; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.391975284; Monocytes (%)=7.800000191; White Blood Cell Count=4.599999905; RAW_FILE_NAME=PAG158_Inf.raw SUBJECT_SAMPLE_FACTORS PAG159 PAG159_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=44; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=1.252955083; Monocytes (%)=1.120000005; White Blood Cell Count=7.33; RAW_FILE_NAME=PAG159_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG159 PAG159_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Female; Parasitemia=57613; Log2 Parasitemia=15.81; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=0.572156195; Monocytes (%)=5.599999905; White Blood Cell Count=7.199999809; RAW_FILE_NAME=PAG159_Inf.raw SUBJECT_SAMPLE_FACTORS PAG161 PAG161_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=43; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=13.30000019; Ratio Lymphocytes/Neutrophils (%)=1.086419753; Monocytes (%)=9.779999733; White Blood Cell Count=9.1; RAW_FILE_NAME=PAG161_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG161 PAG161_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=45; GENDER=Male; Parasitemia=10878; Log2 Parasitemia=13.41; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=2.511767035; Monocytes (%)=7.33; White Blood Cell Count=6; RAW_FILE_NAME=PAG161_Inf.raw SUBJECT_SAMPLE_FACTORS PAG162 PAG162_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=1.352644855; Monocytes (%)=1.299999952; White Blood Cell Count=6.79; RAW_FILE_NAME=PAG162_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG162 PAG162_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Female; Parasitemia=82245; Log2 Parasitemia=16.33; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.531879221; Monocytes (%)=8.109999657; White Blood Cell Count=10.10000038; RAW_FILE_NAME=PAG162_Inf.raw SUBJECT_SAMPLE_FACTORS PAG163 PAG163_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=123; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.115902029; Monocytes (%)=14.6; White Blood Cell Count=5.1; RAW_FILE_NAME=PAG163_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG163 PAG163_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=127; GENDER=Female; Parasitemia=70154; Log2 Parasitemia=16.1; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=0.523648642; Monocytes (%)=8.399999619; White Blood Cell Count=5.400000095; RAW_FILE_NAME=PAG163_Inf.raw SUBJECT_SAMPLE_FACTORS PAG165 PAG165_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=0.964044978; Monocytes (%)=6.920000076; White Blood Cell Count=6.56; RAW_FILE_NAME=PAG165_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG165 PAG165_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=88; GENDER=Female; Parasitemia=703; Log2 Parasitemia=9.46; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.64444443; Monocytes (%)=5.5; White Blood Cell Count=7.199999809; RAW_FILE_NAME=PAG165_Inf.raw SUBJECT_SAMPLE_FACTORS PAG166 PAG166_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=101; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=-; Ratio Lymphocytes/Neutrophils (%)=-; Monocytes (%)=-; White Blood Cell Count=-; RAW_FILE_NAME=PAG166_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG166 PAG166_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=105; GENDER=Male; Parasitemia=157084; Log2 Parasitemia=17.26; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.0823389; Monocytes (%)=7; White Blood Cell Count=14.69999981; RAW_FILE_NAME=PAG166_Inf.raw SUBJECT_SAMPLE_FACTORS PAG167 PAG167_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=113; GENDER=Male; Parasitemia=126; Log2 Parasitemia=6.98; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=1.193384286; Monocytes (%)=5.900000095; White Blood Cell Count=6.400000095; RAW_FILE_NAME=PAG167_Inf.raw SUBJECT_SAMPLE_FACTORS PAG170 PAG170_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.541946296; Monocytes (%)=6.789999962; White Blood Cell Count=8.32; RAW_FILE_NAME=PAG170_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG170 PAG170_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=28658; Log2 Parasitemia=14.81; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=0.278514583; Monocytes (%)=2.75; White Blood Cell Count=13.10000038; RAW_FILE_NAME=PAG170_Inf.raw SUBJECT_SAMPLE_FACTORS PAG171 PAG171_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=1.101485149; Monocytes (%)=13.19999981; White Blood Cell Count=6.43; RAW_FILE_NAME=PAG171_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG171 PAG171_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Female; Parasitemia=34080; Log2 Parasitemia=15.06; Hemoglobin=8.800000191; Ratio Lymphocytes/Neutrophils (%)=0.234513258; Monocytes (%)=14.19999981; White Blood Cell Count=10.19999981; RAW_FILE_NAME=PAG171_Inf.raw SUBJECT_SAMPLE_FACTORS PAG172 PAG172_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=2.303703732; Monocytes (%)=2.309999943; White Blood Cell Count=6.15; RAW_FILE_NAME=PAG172_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG172 PAG172_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=84900; Log2 Parasitemia=16.37; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=0.261772859; Monocytes (%)=7.5; White Blood Cell Count=7.099999905; RAW_FILE_NAME=PAG172_Inf.raw SUBJECT_SAMPLE_FACTORS PAG173 PAG173_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.796190462; Monocytes (%)=2.960000038; White Blood Cell Count=6.1; RAW_FILE_NAME=PAG173_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG173 PAG173_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Male; Parasitemia=36; Log2 Parasitemia=5.17; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.700381673; Monocytes (%)=8.699999809; White Blood Cell Count=5.099999905; RAW_FILE_NAME=PAG173_Inf.raw SUBJECT_SAMPLE_FACTORS PAG174 PAG174_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.347619011; Monocytes (%)=0.187999994; White Blood Cell Count=8.34; RAW_FILE_NAME=PAG174_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG174 PAG174_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=7090; Log2 Parasitemia=12.79; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=0.473154387; Monocytes (%)=11; White Blood Cell Count=8; RAW_FILE_NAME=PAG174_Inf.raw SUBJECT_SAMPLE_FACTORS PAG175 PAG175_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=30; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=1.432291667; Monocytes (%)=5.440000057; White Blood Cell Count=7.09; RAW_FILE_NAME=PAG175_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG175 PAG175_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=34; GENDER=Female; Parasitemia=58737; Log2 Parasitemia=15.84; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=0.228613559; Monocytes (%)=13.5; White Blood Cell Count=12.60000038; RAW_FILE_NAME=PAG175_Inf.raw SUBJECT_SAMPLE_FACTORS PAG176 PAG176_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.261904807; Monocytes (%)=9.180000305; White Blood Cell Count=8.41; RAW_FILE_NAME=PAG176_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG176 PAG176_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Male; Parasitemia=2387; Log2 Parasitemia=11.22; Hemoglobin=12.30000019; Ratio Lymphocytes/Neutrophils (%)=0.927135735; Monocytes (%)=8.979999542; White Blood Cell Count=9.619999886; RAW_FILE_NAME=PAG176_Inf.raw SUBJECT_SAMPLE_FACTORS PAG178 PAG178_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=82; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.694055957; Monocytes (%)=1.649999976; White Blood Cell Count=9.54; RAW_FILE_NAME=PAG178_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG178 PAG178_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Male; Parasitemia=5185; Log2 Parasitemia=12.34; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=0.375874121; Monocytes (%)=19.70000076; White Blood Cell Count=9.100000381; RAW_FILE_NAME=PAG178_Inf.raw #COLLECTION CO:COLLECTION_SUMMARY Peripheral blood samples were collected in Serum Separator Tubes (SST). Serum CO:COLLECTION_SUMMARY samples were isolated on site in Burkina Faso by centrifuging blood samples in CO:COLLECTION_SUMMARY SST tubes for 30 minutes at 1500 RCF. Separated serum aliquots of 0.5 ml were CO:COLLECTION_SUMMARY transferred to cryovials and stored at -80°C. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS Serum Separator Tubes (SST) CO:STORAGE_VIALS cryovials #TREATMENT TR:TREATMENT_SUMMARY No treatment was done to any of the samples prior to profiling #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. To remove protein, dissociate small SP:SAMPLEPREP_SUMMARY molecules bound to protein or trapped in the precipitated protein matrix, and to SP:SAMPLEPREP_SUMMARY recover chemically diverse metabolites, proteins were precipitated with methanol SP:SAMPLEPREP_SUMMARY under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by SP:SAMPLEPREP_SUMMARY centrifugation. The resulting extract was divided into five fractions: two for SP:SAMPLEPREP_SUMMARY analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion SP:SAMPLEPREP_SUMMARY mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with SP:SAMPLEPREP_SUMMARY negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion SP:SAMPLEPREP_SUMMARY mode ESI, and one sample was reserved for backup. Samples were placed briefly on SP:SAMPLEPREP_SUMMARY a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw area counts MS_METABOLITE_DATA_START Samples PAG002_NonInf PAG005_NonInf PAG006_NonInf PAG007_NonInf PAG008_NonInf PAG010_NonInf PAG011_NonInf PAG014_NonInf PAG016_NonInf PAG019_NonInf PAG021_NonInf PAG028_NonInf PAG029_NonInf PAG030_NonInf PAG031_NonInf PAG034_NonInf PAG035_NonInf PAG036_NonInf PAG037_NonInf PAG044_NonInf PAG049_NonInf PAG053_NonInf PAG054_NonInf PAG055_NonInf PAG056_NonInf PAG057_NonInf PAG058_NonInf PAG060_NonInf PAG061_NonInf PAG062_NonInf PAG063_NonInf PAG064_NonInf PAG069_NonInf PAG071_NonInf PAG074_NonInf PAG076_NonInf PAG077_NonInf PAG080_NonInf PAG081_NonInf PAG083_NonInf PAG084_NonInf PAG085_NonInf PAG086_NonInf PAG088_NonInf PAG096_NonInf PAG099_NonInf PAG100_NonInf PAG101_NonInf PAG102_NonInf PAG107_NonInf PAG111_NonInf PAG112_NonInf PAG115_NonInf PAG116_NonInf PAG117_NonInf PAG118_NonInf PAG120_NonInf PAG122_NonInf PAG123_NonInf PAG124_NonInf PAG126_NonInf PAG136_NonInf PAG137_NonInf PAG143_NonInf PAG144_NonInf PAG145_NonInf PAG146_NonInf PAG148_NonInf PAG150_NonInf PAG151_NonInf PAG153_NonInf PAG155_NonInf PAG156_NonInf PAG157_NonInf PAG158_NonInf PAG159_NonInf PAG161_NonInf PAG162_NonInf PAG163_NonInf PAG165_NonInf PAG166_NonInf PAG170_NonInf PAG171_NonInf PAG172_NonInf PAG173_NonInf PAG174_NonInf PAG175_NonInf PAG176_NonInf PAG178_NonInf PAG009_NonInf PAG015_NonInf PAG024_NonInf PAG025_NonInf PAG039_NonInf PAG043_NonInf PAG046_NonInf PAG093_NonInf PAG127_NonInf PAG131_NonInf PAG002_Inf PAG005_Inf PAG006_Inf PAG007_Inf PAG008_Inf PAG010_Inf PAG011_Inf PAG014_Inf PAG016_Inf PAG019_Inf PAG021_Inf PAG028_Inf PAG029_Inf PAG030_Inf PAG031_Inf PAG034_Inf PAG035_Inf PAG036_Inf PAG037_Inf PAG038_Inf PAG044_Inf PAG049_Inf PAG053_Inf PAG054_Inf PAG055_Inf PAG056_Inf PAG057_Inf PAG058_Inf PAG060_Inf PAG061_Inf PAG062_Inf PAG063_Inf PAG064_Inf PAG069_Inf PAG071_Inf PAG074_Inf PAG076_Inf PAG077_Inf PAG080_Inf PAG081_Inf PAG083_Inf PAG084_Inf PAG085_Inf PAG086_Inf PAG088_Inf PAG096_Inf PAG099_Inf PAG100_Inf PAG101_Inf PAG102_Inf PAG107_Inf PAG111_Inf PAG112_Inf PAG115_Inf PAG116_Inf PAG117_Inf PAG118_Inf PAG120_Inf PAG122_Inf PAG123_Inf PAG124_Inf PAG126_Inf PAG136_Inf PAG137_Inf PAG143_Inf PAG144_Inf PAG145_Inf PAG146_Inf PAG148_Inf PAG150_Inf PAG151_Inf PAG153_Inf PAG155_Inf PAG156_Inf PAG157_Inf PAG158_Inf PAG159_Inf PAG161_Inf PAG162_Inf PAG163_Inf PAG165_Inf PAG166_Inf PAG170_Inf PAG171_Inf PAG172_Inf PAG173_Inf PAG174_Inf PAG175_Inf PAG176_Inf PAG178_Inf PAG001_Inf PAG018_Inf PAG020_Inf PAG070_Inf PAG082_Inf PAG110_Inf PAG121_Inf PAG139_Inf PAG147_Inf PAG167_Inf Factors INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected 2-aminooctanoate 635897 824445 422237 1862291 1820641 1306024 910131 1561304 270097 753114 1780087 261528 1118503 1316740 589208 1257144 451045 1043964 499092 498098 268037 901739 554749 415638 439463 470596 1179192 509534 2534157 1731914 4257803 3965294 366959 1247756 133122 813544 1354941 309580 697573 130533 285773 51135 468070 174069 468173 818573 1127702 986415 627027 1593334 1185635 298688 1073889 2366599 654132 825242 493937 311209 1675983 521750 944483 171913 169852 728528 139875 598509 586899 1499128 288147 500275 1207755 892430 122098 184544 782358 339091 1772424 1815817 507320 438794 368046 1147617 854851 792242 301354 228575 47574 1256133 709200 192145 318381 375318 2058902 2512671 296115 883269 1279182 176148 444891 182546 387457 555554 837230 471860 536117 88712 314289 1389215 261281 116191 251367 70628 800157 280012 551324 206350 432161 281262 163064 348553 153166 257438 1351188 454497 252809 939722 361220 1643725 567949 428023 632082 274935 629670 439483 264366 398960 470596 123637 213841 50733 954758 227849 163714 202585 1448546 443446 785454 1023979 1061785 85503 208378 1555469 427534 519796 50290 105870 377680 513000 210740 113985 224858 320402 84434 228733 230689 393522 645093 174559 639928 899807 92621 808265 871906 60759 1486113 1215488 858176 398168 728991 36214 939069 97522 103182 328163 65177 470564 293174 610824 253186 860764 171609 336781 226448 371981 985849 4-cholesten-3-one 460820 668033 857586 771423 780525 672399 526373 929715 620865 1201605 676448 883119 844088 881943 938016 1165674 1156472 813083 1048915 773072 398576 760618 625538 656286 811933 741256 654686 629188 639689 796012 903019 450547 782561 571726 772396 676409 708507 1088863 514796 988670 985824 789177 633461 743624 995539 755141 831781 832564 505397 605552 658474 1223647 469020 726259 404202 833091 897747 784234 606601 1030317 599909 751778 836912 893466 683601 926632 888674 493358 424328 563743 1311481 750151 593134 650591 683251 839009 698104 795666 890873 720610 962409 639510 859797 956638 553255 950082 1165377 711833 799437 763823 466763 760160 711990 427141 847389 585116 1024420 807338 888458 559163 591778 483004 884167 523611 741535 686604 613749 1087852 852321 1008270 1133979 726806 1497585 596746 1191318 873783 530114 856477 702061 854678 557959 667950 832636 761574 1086673 760371 720222 984380 570118 743923 635141 590043 912931 843056 443489 662142 789058 1004349 662995 737396 777979 617317 772152 572078 796754 606059 1283997 582262 487496 430372 558211 1091986 440766 613132 918654 816401 573933 900896 805320 870151 425224 792542 791532 493986 586321 829694 547745 605558 1095379 715504 925941 533359 1107914 735155 546453 530345 990193 596311 677578 662812 878135 804168 897696 599921 329786 562726 534574 1058470 672646 433652 775124 660213 671541 874005 710997 1212560 665893 784097 691720 5-dodecenoylcarnitine (C12:1) 5037256 8030760 2900912 6771629 9247202 6090484 3863848 6623124 2706588 11451185 6738462 4451326 3109230 9681499 15314721 3164077 2660152 2285259 6129156 3408551 11172638 5731027 5431611 13414972 6734420 7507390 19930188 7010198 18979060 10061683 11496527 7587540 5321126 6996588 5589895 3968549 4588523 16229313 11310079 7252269 10506482 4592717 10711719 5362392 5628440 9480859 13290254 12637186 3801438 9565172 14924238 8102601 4277109 8458949 7832961 15397988 7985367 12506715 7198728 14350916 7292170 7963403 5450314 1260706 8939503 5622672 1834171 5462961 12853362 5810177 11254928 5904923 4169453 7915071 1120571 13873675 9232820 8434580 5204636 30262606 3924039 7206457 6817062 3857911 5824147 6616097 11740174 6401004 1830020 2685337 3797177 5666177 4612931 4954608 6214828 15135101 2371202 12749783 4186776 17580844 7178601 3011893 4071635 2825728 4829690 3106380 6898811 3462924 2938578 2111625 2978297 856549 3657256 1472624 6298323 7536206 5068578 4611433 3370728 3487131 5784764 2854403 1853074 3332694 3394957 3883517 4842246 1134720 3703424 3759075 4655752 2783997 4511668 5118484 8889389 4972837 8341351 6901191 5721250 3309218 2128392 1510392 3494702 6413888 5572177 6585182 4503985 5208902 5603372 6341797 12102888 2093808 2983807 3292756 5066068 6948552 3048320 4641137 5325179 2503380 3947482 12511862 2474346 1641032 5986560 2443866 1571795 5468825 4281947 3984743 3941373 1349472 3339434 3667066 4258294 4591026 4407851 6128836 5991285 5804751 6330484 7248870 9300683 4842378 5126497 3564734 9538386 7310597 3351481 3251524 4249675 13265904 2106553 4533632 8035522 9074604 1722573 9037149 2193732 alpha-tocopherol 92402960 105549136 108866368 103103616 143156528 104849280 73492472 138914960 79412096 175976128 155644976 132292968 137610048 150423744 104061008 138539280 172366288 87571200 141626848 101706240 88500208 120546728 127294856 149676560 87957344 91120776 82965848 93881584 108301872 75211472 121867856 137793088 129037608 91473952 93889072 107142736 112563592 149975280 92577448 123816008 140422592 131502200 113234984 121095720 113235152 133936840 95540512 137709248 93222592 112660128 143212832 126633656 111310776 115789888 122487264 103954816 108631880 145669728 152150304 168065904 105456088 116192032 108909936 159393936 124939672 101989160 134433744 92746504 94227960 100661632 149801840 153673376 98856448 72738424 114742912 97025672 109962408 127958680 114368680 103034408 161614480 91075472 117018424 119083696 128958248 82122968 112143208 83301384 140067360 113058800 86645760 157029376 115824320 110881976 122519888 75926656 136788080 126712608 107150000 75090424 112162616 98504880 161831008 90177688 131195712 65974856 116832824 116130960 83574912 151877152 108629792 102032104 110277680 98617568 123365872 97339048 75504608 79664008 87831056 89691592 86804856 80120936 130224824 97820312 101927368 77496632 66962376 127335440 80662536 74013600 132263792 96863104 89878016 87226400 85604840 89640408 94705472 141492656 73762304 99346256 85346816 87815888 84995616 69268256 107268344 94600128 60032428 84411520 95523096 40799496 71654056 123606848 76476904 106304712 176646720 69552352 63002980 77143360 85569224 105219744 74955344 78779952 41567496 41311296 88019848 59637236 68840496 64812608 124337752 77967416 82822032 93282496 94758848 72342904 81790184 110883880 49444156 97326376 73201392 62822652 86214640 76663552 101111704 97189160 114050064 77732928 52022764 108405400 109166832 133134456 77526672 168536048 104528736 89419688 73444120 147787168 130143408 145605712 73474776 arachidonoylcarnitine (C20:4) 382696 273204 233960 315409 423468 256683 218699 424779 237203 145718 303104 230475 227037 115559 298889 186221 288400 254131 333336 152350 346076 370233 330252 414705 282106 184786 840160 176412 538244 193149 127909 242497 399453 843660 706236 548007 271209 339278 257414 472033 793927 142517 562247 310873 380794 447822 191585 321883 1213308 238062 391426 506736 711466 373718 192306 713750 157244 328362 483544 247714 212847 185404 188611 425335 238941 317752 408899 404599 482083 116281 380140 163919 180121 84701 234410 208159 331177 309896 242575 707556 153447 404366 169634 530425 484430 137523 126112 126178 142812 116444 220746 133360 70971 61553 141739 59499 117077 292487 135798 190119 70233 82548 218701 102122 84797 122364 310839 241968 119058 256769 250981 328843 233661 128577 178733 152270 135415 368917 100737 80414 124156 99342 92806 190166 434384 236344 51806 207381 249975 291426 142529 111106 162697 187495 301479 146000 333513 163732 arachidonoylcholine 2061896 985773 819222 921487 1624975 3184948 1623815 1433264 1819271 2870855 1615051 2556282 3643225 4620282 2740242 1646739 2535045 1087698 2127287 1093288 2325039 3920408 2778551 2761632 5231928 3598899 4092720 2264251 2901370 1576807 2233424 1799780 2003513 1508634 4191526 936568 1186877 2428055 1849056 2317258 4870355 3463350 2216110 3909981 5630891 1632326 2049856 2790663 3872224 1934560 2403024 2798835 995030 4357258 928876 3654378 4426942 2683004 2162164 3496917 4485002 2038789 1703781 5576165 2822709 2995355 2941530 1833589 1843128 2972197 4638150 2510076 2808373 2527102 2407673 3379601 2302665 4280587 2559614 2110245 7398555 1376787 2390039 2354236 2000053 2686978 3304340 2702121 4105338 1042954 4340461 1772973 3134438 2989792 1630348 2135594 2265555 1994283 4218729 1344774 1063249 2029486 5178853 861202 1447387 1903369 1447848 4246331 2365008 6440763 5577920 3768417 1396303 166006 7335483 1976539 1669368 3316808 822999 2164100 5670702 2048226 3143246 2118333 2822611 2901087 3777037 2215571 4972538 1004443 1001706 2705209 886772 1185013 1781416 2298596 3416462 2726002 4644725 2027116 2178625 1223344 4430752 2534441 1465332 2488441 8868117 2047595 3327922 1289012 1678080 4993336 1405420 5217247 3636192 3882570 1139165 6253029 2671405 1358064 1258969 2554467 963427 795947 1475285 1761617 2095487 963303 2272310 5640867 2119831 5220306 4775568 2297871 2762952 3721118 3639665 867687 2898046 2093822 2723192 2242762 2353889 2147373 1163935 2489077 1862182 3506354 8151994 2907060 2198224 4031845 3183642 2455491 1469064 6824915 4009800 7814401 2710371 arachidoylcarnitine (C20) 389418 201264 200312 492428 380288 524789 118315 353170 181301 452741 352973 145920 237004 406024 310356 187645 287244 253364 258832 188189 384897 126952 443328 424651 248339 223065 169903 232920 182756 250778 172707 415457 370667 287786 166374 242171 452909 132858 237980 370667 277640 212418 215450 243205 210007 118502 286109 272380 107283 324949 284354 166877 285991 246122 91391 361082 176532 253209 233144 200312 113353 273036 146555 116897 244931 487250 216815 571284 191290 500635 447396 503694 380124 168842 120677 171608 257445 216783 214384 203105 125657 194835 186356 364562 156424 140830 224968 135720 139473 212921 237446 72889 367078 209972 452375 341014 147972 265689 395841 89243 148595 188758 64728 78017 150427 214572 65271 59041 89919 135564 72620 265799 81582 269555 116283 64429 111862 141854 457981 45486 164013 225606 62009 188544 133068 614338 85034 145564 76857 247369 53360 92304 60258 99214 69686 93948 53681 325006 125407 62466 105591 57742 94973 93952 151563 66018 95338 122520 105032 195732 756928 83899 258565 219724 97162 436997 134401 371790 208618 behenoylcarnitine (C22) 441957 225464 343303 263232 237679 865276 69879 201507 222077 494343 488223 132090 275864 476178 469306 155419 246749 262251 222581 166186 286185 100716 679316 349471 288993 241779 88206 118802 161524 255647 150887 473040 437981 178543 173663 377852 827505 184208 345103 252987 179795 122292 284618 158929 128690 318431 218902 99076 176889 379664 165645 279178 212536 51638 639363 106854 198336 155314 200568 80701 371580 105424 64559 254561 474966 325914 770458 134538 467289 765726 715161 565174 160068 127899 300398 231487 153575 77955 217292 257777 190454 544404 147780 297045 191966 182280 187512 283339 162091 458592 217854 589443 315393 130727 217035 929698 122581 81611 149767 152528 165145 559848 158177 215855 233542 300433 217600 111100 53163 316155 108279 203134 216420 85606 49489 166456 461214 293367 663989 92489 140450 199954 147669 68838 84604 298951 83141 114018 202358 251776 158231 223451 160755 152102 576012 110017 1010154 56428 71647 494235 275038 140982 118051 233292 100057 396459 698495 376162 128356 98225 195305 109908 740003 177448 140841 261698 255759 206310 149925 211051 274967 563448 585289 233330 128409 203791 93559 78483 298330 297323 400527 98842 237971 123970 49455 229671 596652 177913 794555 157706 354316 458041 213116 901221 301918 1292854 243404 beta-cryptoxanthin 2936350 1994361 2505428 3417153 1830026 2507448 1378588 2167248 2231414 3975376 3884795 3477468 7704075 3007324 3640457 5162078 3197578 3555814 2104195 3476563 2804215 7585740 6248791 2872812 1955596 1843176 1284215 2202177 4015619 1757727 3947280 2313689 635244 2138915 2039192 898237 1719830 2614313 506294 8826685 6850457 3293356 4566362 3374633 2286445 4042757 916216 2296687 2009161 2311123 1969224 3959341 1422874 3438921 983702 2577941 2693347 2440262 1670088 3272928 2368425 1991198 1624154 3449902 5369453 2099561 4583977 1812436 7154918 3405384 2314191 3119143 2310004 1431695 1996685 3474646 2754079 1784890 2109592 2234300 2453726 1376683 644858 2857597 1733156 2261778 2127222 1557109 2462249 1751904 3243880 5664787 5169251 6198340 2198686 2463746 3130558 1540973 5711235 1915603 1853908 1992037 1322434 1052100 1754770 903583 2056511 2267604 2480367 2429272 2590903 3962098 1885053 1587484 2621319 1125559 1196814 1487057 953944 1450489 1644228 4448178 3363094 1375828 1344836 984883 997720 3632462 1892821 740279 1747709 1892232 756436 1402420 1572103 757081 1884771 692176 170736 3889346 4683921 683428 3902254 1564826 3374131 1639091 1218999 1090262 660477 742846 1626885 595487 3212973 2738025 958369 2521664 1247480 1033510 2111576 2264471 1529240 468166 1295002 2632679 807078 1822225 1292435 6207747 930918 692753 2860295 715778 1294040 1806166 1820598 578870 1238656 1058720 834982 6722418 1027490 585898 1572655 1198527 1026806 2002632 2438463 1870576 2573520 1521503 2517854 1559100 612851 959416 1346204 654374 584376 404553 beta-sitosterol 343483 115166 317218 199268 383920 162105 509338 76997 382098 263822 522966 774872 349293 361066 810005 790004 171577 183125 343943 290853 688714 351332 192615 323962 816203 297918 648670 889576 748511 441038 292620 193470 143447 174129 320162 216755 230998 426905 185176 369047 523119 481818 93103 473826 191994 123380 211612 348502 417284 331171 553635 434019 153636 262190 640640 393600 351332 193575 180506 155530 314308 958945 542738 358162 204863 209239 321506 239344 245165 515118 534932 195998 347255 525289 142296 172257 59608 580734 269992 166766 274657 1088121 592037 455827 675641 232099 945430 539865 90471 473051 378316 347046 347062 334642 638723 280673 204621 375168 1601512 340497 362212 929606 790486 1080876 1357592 170769 381503 690615 368000 909429 827997 378635 220577 668957 482153 504664 154453 795337 552092 304108 585530 683522 219134 311934 278368 99156 304554 207036 374901 572813 335636 491305 247623 352861 795931 419029 395355 215129 303088 255761 193307 383229 200137 1061561 474009 307012 120134 390845 431550 738122 374136 297342 281162 270262 488959 563901 326653 480035 393892 971325 378375 328071 bilirubin (E,E) 2314923 2766094 1071526 541306 739972 2775621 1792952 967898 1056893 2023525 1293039 1030718 1057066 2241545 2487830 480046 2630779 1276562 1006561 1051211 3226023 1662748 2098131 2010144 2093450 1960156 1893695 1092732 989088 2090168 1504620 696229 2397717 1651120 1068077 1172699 1151639 2062299 1292056 1530875 1918318 2529152 1701370 2675286 839220 3110652 1266347 3871959 431449 1524801 1141627 1283594 940162 1714138 4066267 2023263 1485108 2500402 2509326 3253842 3718261 996974 1008875 416583 1191868 850159 698910 3176846 1764578 2108907 2919302 1027353 3535961 2915637 1019264 1411029 3738453 1059822 503186 5622336 1099595 2343077 1501992 2566209 2522970 3667050 3063136 3192909 1212946 2272820 781395 465510 5021348 2749592 2768719 1736723 1204994 2361642 1322177 4523243 4515193 2900199 1053813 7311828 5561522 10408216 5353154 4149331 8225589 3340616 2718501 5567225 7363724 2627885 575263 13274030 15352793 13528079 3401361 16696430 3353210 4985756 2220000 6638824 3957435 1936542 8975245 3455021 1819813 4262673 6237601 8364108 5046592 4410043 2828491 3897794 8516359 4150917 3086766 7974457 5942636 1400442 12816424 6879423 5610688 8977152 3793278 3216197 5320138 4003492 5823789 2086268 7343698 2838859 3049732 3927803 2453288 3011673 8822236 11586032 3998024 6350430 14418584 8836864 10018680 12409983 2602621 8281567 1365822 8936423 13487749 1517030 2565477 6700607 5060643 4936467 22232526 3314418 8880917 1807330 5402649 4055517 5398089 4205633 1688681 5261398 3884414 2905738 6045018 1266515 8574031 2649569 2678102 2731427 5200843 7126112 742679 1179537 5135176 bilirubin (Z,Z) 10889518 15130581 6359221 5574705 4404556 14961815 10926370 5026981 5713543 15159041 7313392 9020644 13953823 12149891 12325605 6038000 20015296 12741561 9200426 10825355 10860432 14549016 11826737 7781357 15257121 13151719 11560075 7881708 10516279 6934314 7890217 5211892 11650504 6934290 6272521 7161751 5397513 7130460 3095112 5715826 11959269 9046505 7633274 17270676 5772594 25114840 3826450 30026134 4814526 5529073 13504991 15171234 13006894 16690841 21502362 26131116 13574821 12236358 15797873 14631928 23868774 8103283 11752237 7252505 10039379 4262167 7692135 18005628 9227814 16302703 14611042 5645580 9329036 11869566 6136003 11597082 12012478 5875194 4873991 26033898 9927432 7200615 6084654 11575694 9618565 9260736 12151614 12003888 8398764 11226872 4063495 6827401 17018780 11359886 4695027 4669385 11317183 8435752 7851418 24550886 18196144 20871968 9381818 46189068 41212464 79141312 10938451 34620456 42393652 27445202 40467520 44521404 63386136 43968748 6259708 55861768 30126564 91833296 27688288 54012948 27442982 19226704 10654025 38844672 24891060 13950169 37716560 33743664 12324105 8054402 23358016 44590144 44061752 22123186 34070760 30648472 65578224 27200232 14237093 35958068 29519864 13814046 66344916 58380896 21378280 52831016 42885860 24726102 34660216 16714041 75233312 19299714 82086248 30081576 35185540 36002348 26685688 17091916 50399264 58887216 32442280 58295336 88101344 40267004 20626152 83895656 17566040 45799244 14693957 32576036 37833316 14274345 24949916 45892828 24804182 23205204 55597688 17613480 38732724 12608377 22025714 29078026 16089308 25868052 11718327 15406412 9780901 16402387 24307986 6426922 30651880 5551358 13354239 12518164 39037156 14788917 4050948 7586320 20369248 biliverdin 1057624 1416339 661388 1927216 541716 1878295 2508411 673241 818851 1891663 835649 735990 1232762 1274038 1327967 492454 1344430 1473780 1448143 1722673 1009505 899795 1145824 949634 1487848 685474 1191248 680138 987224 1214284 698388 853526 1719057 915244 585189 980648 520992 1112305 339001 612846 1111980 1207546 918032 1572667 359437 2050373 612841 3101810 318002 746158 1035188 1145631 1069711 1616549 2195845 2117646 1293789 2173874 2215060 1834185 2655945 793496 1464003 612734 852691 639377 417588 2136539 812302 1328831 1772001 553418 1254535 1588958 653199 530688 1906503 851268 394452 2424736 811769 744522 671368 990092 1195015 1615292 1511946 1419213 705034 1471788 464580 1553423 2576921 1560993 883788 1181792 793492 982174 1001147 3207817 2672883 1561300 1165829 4385888 3896839 6321313 3499315 3804762 6663846 2149291 4183553 4026760 4776430 2611066 572447 5226467 6935637 12685081 3005780 5239412 2144744 3410524 1429466 3991834 3528207 1040151 4914464 3024106 1187017 2200645 2306751 2922398 3494076 2398414 2411782 3000917 5129584 1795719 1691234 4354181 2626307 1076160 5558968 5095153 2393700 3992548 4163713 2164441 2518768 3194835 9880509 2332819 5509951 2056549 4126527 3153055 2717191 3678625 4246322 4534114 2924627 3899779 10744787 5039502 2870671 8368224 1491662 4716299 2669091 4611391 8305912 1037916 2456252 7578732 2584179 2074770 17557770 1578822 7367379 1764013 3530858 2705301 3464999 2111331 746431 2686745 3924143 1397839 2279988 456568 3659018 872187 1439542 1624853 3079851 2484101 209514 936684 3088682 campesterol 411654 129865 142597 574586 267000 217975 226705 353413 353684 426279 227483 450909 152980 264077 549440 352557 164877 457612 288409 373101 542012 520882 489611 151162 156497 267919 179538 223762 343323 178523 150383 176598 171121 306396 188616 458274 309988 167150 169313 330947 110011 300360 318248 253781 214071 629630 262977 272656 246468 266750 176135 594459 444653 376827 102521 234481 221725 301539 537979 216696 171278 348077 530456 260314 557171 287018 902357 450182 300094 128369 582540 741702 299870 276538 286471 518417 108673 169785 1283105 404178 266821 498888 797638 641285 922584 494032 649683 323461 808616 772727 445729 423119 333816 449549 783976 521088 119426 506262 298730 373391 117979 216084 304200 473621 295988 434799 260154 216225 268081 263326 98437 231612 285940 144470 762453 273262 289813 647183 161753 181224 432685 336789 174514 315220 504931 234257 186841 349043 906696 500839 170623 carotene diol (2) 3962295 3177474 3111041 1872039 3369779 4251740 2320044 2873490 2673040 2423869 2747137 2032452 2201477 3290667 3241521 2538385 3833531 4660639 2641610 2351935 2815790 3674110 2789972 3348061 2085645 2733167 2867348 1933238 2562354 2559378 3379898 3114714 2178796 1982057 2692304 2096929 3229808 2276742 1648463 4178715 2904925 1535729 2028291 2275821 2327933 2083722 1108483 2078182 3346843 3325655 2697879 2568204 1851352 2680611 1950294 2945052 2043624 2513052 2599314 1924805 1755522 2754437 1899590 1928007 2590114 2320358 2360890 1978361 2032212 2890492 7448411 2295505 2384435 2421448 3340993 3022993 3097999 2071930 2793648 3014610 2293030 2365012 1765718 2546288 1824370 2845064 5070847 2154004 1980681 1377610 2560909 2396478 2651603 2069928 5868628 3419571 2879071 2820271 2344887 3638858 3072417 2654089 2553102 5431357 3103192 2307654 2747151 2214160 2046700 1605944 1768338 3092697 3566747 2972907 6948663 3173707 2961426 2873111 2769548 4291883 6469916 2424044 5398205 2697911 2775303 3610284 2742760 1922377 3976109 2167608 3892878 3542049 4417010 2678405 2241441 2748123 1854591 2989279 1621589 2283821 2219019 3030553 2767409 3055150 2737303 2611793 1010822 3937659 3345019 3055625 1061953 2118180 2962500 2082413 1250709 1803835 2404662 3804199 3605219 3713448 1704391 972570 2176569 2322157 2194896 3066631 2758906 3249688 2914362 3813633 4555910 2780310 2003208 4340683 2055454 3788704 3497568 3502873 2290177 2492641 1399855 2930373 2555887 2451635 1628373 2416778 2370767 2142360 1412994 1917544 2483993 2726390 1878389 1857581 3954117 2262421 3973505 2319127 2852229 carotene diol (3) 1411356 718420 1401892 212023 813139 717219 146506 1518337 1147207 1128393 770013 1923445 345796 1440623 1116427 1591598 2312997 1182857 789533 2386954 257165 941202 1050876 1653638 1319789 597645 1556112 910181 597765 1373304 1532548 754222 1015199 1795186 795998 1003318 1332813 877116 1047999 1161288 613311 533700 479203 777765 1154460 818017 190732 637852 930464 493259 792972 264089 1095753 499813 988736 1260441 919540 1311661 1106641 549147 1559163 439482 1219168 947213 1139861 802589 1123052 1145517 527881 828405 647443 644146 1128945 597036 879572 579935 1476576 350121 1270501 224468 1262965 2146394 693427 935330 524612 823439 1208239 1195486 269730 86637 776046 904606 610592 1124875 1183289 892905 657844 328729 1452349 632668 1381411 684455 416353 879285 860607 1185909 219885 1395335 974239 460883 728011 1136759 685637 1276494 711682 829552 125522 1457022 500336 195335 902550 524564 391268 1231760 2088447 391354 829552 783555 405899 661376 721329 1078025 703276 1134511 547861 176851 418478 1243902 482465 806752 227553 543376 926980 707004 834158 980396 476375 1298658 248596 1111432 490785 903184 688819 731368 1074344 cerotoylcarnitine (C26) 812386 1213890 748938 1419669 967133 734671 631565 853610 979121 1472089 1525793 559880 1068075 1040109 1899102 666726 1195756 690570 1299730 621883 1918862 613136 1416417 1636679 1783431 877897 635612 454106 1381571 1610437 1340812 1017022 2424263 946488 414834 814010 768145 756837 687348 1589166 1608408 654098 484448 651573 1017250 557036 1184543 1153310 464433 806274 920215 888938 599247 1007523 642864 1775354 925483 1385866 838711 912184 534866 1009285 855079 589016 621435 665619 1031206 2893140 754766 1716736 1602281 1055029 1097019 978080 637767 875663 1119976 769440 811468 838149 1066382 663653 1853347 1639376 704385 818518 974108 1046654 674076 990645 1104557 978707 1743362 1133696 1499078 833894 759169 1011475 1322780 589885 1009471 887977 1005132 1574740 824555 604794 932977 1424126 1566689 1798538 777863 1026899 1334404 704099 639368 1176805 897092 1246078 910234 765393 1948365 812974 982527 1655764 1209470 1240625 1323902 977570 1374714 726205 1547364 668817 2753645 634934 734305 1011233 1619560 887196 1060010 2574808 739685 1401335 615621 1001166 911933 693862 1638334 1459648 1072704 688026 645665 1995575 607709 1649572 1448231 1698018 1669550 1266061 1469907 1259225 1066144 2044350 767026 678529 477281 1030874 937864 3101933 1172744 2031939 1766033 1223162 832223 1150647 719379 1682505 1679743 695385 680148 932458 2323819 864868 2030172 761706 574447 1269414 1583940 1977959 911454 1444577 1536029 2606348 1303711 1069128 1493180 2080276 825066 3348531 1607290 cholesterol 162158000 187411792 138196896 198069264 204746992 139859072 109722152 219955856 140064048 213055440 149254912 193499248 160732816 296527264 227749792 185104256 169374816 125048088 153481600 146055024 171082496 174038336 234681744 221244912 194654608 177741408 161219600 141294016 179994736 157655536 195398720 209301024 156054000 224002592 129890784 103766624 168672992 226181808 136187520 179102560 239390352 137908816 153547968 132229216 198509056 123352120 162772464 128618080 156514064 117843816 131697120 150602192 118075968 156875264 98155088 130635744 117256424 181625360 179399552 259975264 130333360 153766848 142483376 152409040 127728432 203108976 207646496 70825232 171990656 228792784 215408016 162563824 170963360 117361576 179877024 164580768 210543104 166881696 194140528 157875616 174029680 157139104 190637664 217506768 160107344 167086480 154079568 212785584 193899120 120431096 198010320 187009712 135614720 121914608 164107216 137608640 164656448 152141152 187437840 200368864 202519568 182066576 148039392 201908288 141204176 199631488 131682680 301685440 163473584 273452384 268918688 128726576 332842784 209168128 171298048 187439696 109189720 236994416 122358336 190089728 157457440 80672016 179114512 228194064 149555008 205314544 184900032 218442048 165319312 117583760 178129424 315824448 458280064 279652512 115797328 168409264 287022336 295831616 340109856 289384704 276153952 133639400 298204224 158735488 193907088 150112000 493633632 123491840 295278368 73812640 243857440 212925792 175781472 182733776 131632728 138983328 159366416 145368608 237951568 289428128 85681944 263946816 196670240 129936192 168309792 220864464 173640416 96858320 187481152 174231648 134089032 131495112 115990368 156969408 186763920 121711232 411399008 159696176 134056288 102696184 134542160 139067472 169011616 229249168 151156192 113098016 123407632 301777920 290516256 160379712 225265104 229996832 103277744 131456768 243437296 282819488 217271280 190870112 100835256 cis-4-decenoylcarnitine (C10:1) 6330284 10714104 3361230 8370262 8559324 13474734 3416726 15482161 2770137 32257824 9086893 6326836 4683071 19389492 12542142 3631149 3182096 5765105 9995055 3352487 20395338 5285065 7480501 14019249 4762812 6548104 7940852 4416269 12414507 15157967 15467330 9026391 14672802 10594233 11848708 9354594 5345962 17816722 16615910 12262700 17270456 5783917 16011599 5549402 8688597 8839524 33519736 14638306 5072202 10197070 22347090 5811278 8092861 14113851 20294496 6069020 13044523 8840091 8599035 24658766 3693455 13283552 4518746 1477669 5814923 6860548 5067857 5207834 16873050 11490189 12381579 9386307 4944320 7056593 614232 2452772 8613141 12118332 14781754 22677560 8061571 12257648 13108887 9790714 8970869 12211485 7632141 7203637 4012011 2821029 6322515 4644136 9377020 3414135 21530850 12867807 2822366 14631180 8688029 7694401 11760241 4045980 14907640 9035945 10827477 5623577 14353656 7329134 9105031 3067533 5019907 1481389 11301918 3957711 16938540 9441536 15531834 18457382 11861412 7450322 9420293 3125957 5209269 7956446 3717057 8306677 12034188 4770311 2774721 9386507 6971693 7818093 12021502 7197369 27657784 10451138 36959696 10839637 14263621 6519991 8458651 5711841 7800700 12526647 9874977 9637752 16589469 15380684 12176603 8645167 18042916 2525450 7931847 8046416 10242745 9037770 9704336 6818940 6803891 6240958 2553715 158185296 7851187 6510214 7833758 6738736 5026175 6794963 6373956 11853970 8050985 3283346 3589462 8256512 11834898 14836511 9376014 17430136 13489242 12316481 20704422 18056556 13970112 10077561 2619320 9628888 12734919 9743210 5429156 3177497 7301194 8959953 5580171 8900959 5472208 19124094 5560199 106886856 5768833 decanoylcarnitine (C10) 4456871 7073985 2514299 4507357 3850091 11671922 3190532 9141181 1910726 38670048 9549413 4660739 1741331 25757164 15523326 1095795 1903708 4700883 6857706 1476199 26976026 3233690 6767977 8179159 6991990 10501738 3151231 4943356 9458551 12256466 9998354 7864544 15437690 8639538 17374708 6669071 3474457 22109328 15152381 18101378 21405440 6299845 20374610 4680542 7483295 9764872 27770738 16951654 2477062 11270489 13825159 6257049 7448921 16325053 7502850 4738973 12277297 9597834 6871639 21681428 3424093 15545601 6232427 1479764 4340425 9923337 2289080 6863218 22575678 10861017 14971948 8268762 6306905 8139079 492491 1337311 7914011 8062718 4428681 25587454 7760647 14428704 15257294 5040997 5839465 9666358 9868202 8772833 5319537 1620052 3353132 4889015 10338934 1609095 13105715 8601606 2590474 12054287 8797769 5337444 9225509 4370422 5420225 6661122 7195083 5412570 8237759 6903844 8530751 1930421 3496104 717167 11443383 2640675 7487542 8083772 11820498 12101710 9128691 4296520 8831450 2007353 3938187 3663363 1648731 5449320 9119558 2930142 3839246 6240943 6366525 5737691 10239270 7015265 25567156 6992112 33998192 8120014 14122572 7015143 7388207 2695433 7380701 7710488 7240104 5330677 19108184 6855129 6886844 7058354 10619780 684512 6835995 6530586 3266069 8202609 6282910 8312038 7343957 5426950 1375938 200811760 4399867 5817361 6466884 4776249 3898782 6676412 6644684 7499988 7133789 2779463 3832774 7782650 5152502 8840275 5856380 7136449 6756689 4860748 8572396 20397870 12760150 9167121 1885624 9140490 10547570 11913406 5832838 2236899 5559827 11647568 3843166 2169912 4781016 18050398 4414071 96185888 1692319 dihomo-linolenoyl-choline 209019 144939 143288 80483 244058 498043 191583 183858 493384 138210 213619 427199 1049870 384862 234210 687948 183904 520521 203801 350429 850000 447995 411769 775284 754586 849455 482366 374100 230874 228176 223541 270732 163028 914910 97566 176577 446105 475818 412800 1018021 711671 275538 625798 861298 282614 275606 541164 512540 298775 320379 355272 144858 531717 131121 764560 856833 328055 345369 621404 1097350 383553 297236 1394372 650941 462538 325928 188288 226590 365633 1033294 539949 333347 842293 379444 675374 549720 667274 358500 520159 1971582 268548 436340 329317 304301 441633 414310 382965 1183448 442614 253390 367930 822180 308302 216767 449314 496947 708284 176794 146818 301219 675827 178437 230533 379678 265914 563038 254682 739581 145494 1181963 281884 378741 470703 664112 183520 422760 261917 311397 241145 975904 282282 176742 206234 294369 328501 502822 182733 172980 130075 225291 246750 174456 467398 1152589 301264 324324 129411 73078 343669 700906 522912 391033 104005 971453 365633 117466 145732 206541 191963 119559 201097 152620 309739 709114 139036 792613 443828 282161 176996 427393 386580 319822 407138 522115 295258 483370 269642 124856 398572 347589 476805 1027285 529935 202595 707597 591579 445998 185797 489469 576711 1045767 416184 dihomo-linolenoylcarnitine (C20:3n3 or 6) 274755 115342 64844 154626 257670 199632 188411 131696 382390 180843 160823 140034 131749 99969 221385 192755 288644 205666 261201 121748 230476 217389 241628 98808 306610 254774 177711 120451 449098 399175 144619 119330 204346 190159 317866 559109 544278 357543 138789 208303 183230 242513 509631 140754 335900 165320 229354 194395 281845 133167 240274 591313 196476 261863 109333 292738 435323 192359 109053 214629 86065 99947 395570 129475 232638 357751 228251 102571 183244 102839 299741 267618 176157 276048 380788 407433 100847 232348 169483 73557 175119 141112 206926 153681 199186 233106 562943 132960 259791 185383 426099 284085 110312 90424 111182 83476 121417 85955 77508 106688 165500 131766 137747 57558 116911 130454 155960 181077 105183 117730 58958 255689 66262 95808 132462 277951 148316 51211 188652 189025 178217 99680 86830 158217 209729 208376 124852 dihomo-linoleoylcarnitine (C20:2) 275280 191213 125996 248831 148091 185230 112198 281661 245453 204130 154843 82571 271059 166584 285958 191271 261320 218967 184369 75172 144700 281321 120159 410771 165656 204447 85058 210319 142021 340602 483652 238395 181499 64178 203332 215458 372258 188135 195765 221296 191269 171427 108260 276375 194023 223601 85774 193587 359867 151976 147276 59435 263914 200005 269063 319363 212597 166735 201990 68551 215176 339314 219813 187291 397518 89377 104721 204652 185230 146173 90926 242110 203929 310430 239256 308891 115156 302869 208367 98716 116666 78618 97892 193514 77392 78801 92122 161770 103596 81354 156693 59139 141783 71542 63979 71562 143784 139585 163135 130592 96038 101533 docosahexaenoylcholine 931357 624156 604139 335715 629781 492305 406525 654927 268612 1096593 524293 615168 1100428 1564866 832579 648758 984271 201585 1128527 445206 523272 2277132 1169887 1513321 1296653 1055256 2573032 494335 895114 483775 659042 846252 1265056 1452611 1754421 287965 446097 1315973 362035 817161 1710950 828300 680481 1512446 2731746 921144 680409 1343521 2278185 1220277 542438 732815 573722 1758895 186988 871160 1407933 971507 757440 1219581 2350587 812323 549566 2055870 825084 1018179 1067221 384239 1048710 977202 1049724 954815 576463 319426 1058226 1268162 778896 1789090 986662 1542474 1680819 367547 956417 636999 815580 1109598 1295365 1416172 880854 266692 1361957 911902 951684 762063 877155 786452 689108 1671894 1006071 693048 901535 1401980 1625438 198323 431965 488416 564543 699588 993585 1594065 1083202 976959 553726 97202 3127856 576096 414752 1580473 390712 954692 1548278 846435 962065 1397049 625893 1340114 3019198 704822 1255714 216475 258278 1296216 403771 703069 780190 694592 1496246 1307048 2166967 631535 760206 317754 1296724 577422 805390 1023190 2756025 867461 1476882 1054152 467438 2149205 513839 1241673 1072553 880731 204068 2098476 830277 351892 410353 762314 398642 259047 782422 636257 621068 274426 1075152 2155361 603389 1794926 1388271 427523 1379543 1307196 1030425 387969 1621759 1000012 423858 549587 810590 560578 405322 1358897 420135 1800994 1788496 903005 518551 1517273 1640080 846897 244095 2110553 2280028 662798 597910 doxycycline 40834008 gamma-tocopherol/beta-tocopherol 2445004 4042760 2405695 4800330 8950036 4186467 1935435 6972932 2876243 3115639 3918991 2145266 2780043 5854389 2778811 8311915 1273433 2588260 3251167 767690 2482378 6590486 4394886 5057963 1635535 4793968 9285932 1390995 4394687 3818815 3899211 2703382 4473765 2440053 682636 4176598 4649499 1935312 6542646 1525955 2655766 1215420 1797326 1306503 2995981 2148199 3637253 1954977 1892775 1138063 8563989 6184534 2460517 1930455 5978350 2760004 1134528 4593827 1693361 4456273 3915644 2988927 1519747 4339304 1404077 3423888 3090361 2216625 1844567 3768313 4124798 3941574 2370352 2944517 2638266 3910545 1385200 2705781 7429403 3287851 2688503 1395305 6915657 4845124 2886261 1521029 4389487 1121352 2180901 3801668 4331847 4340038 2959210 1616758 3080275 4573150 1984385 3348000 1824710 2350248 1794275 2049045 7577692 1117233 3498492 1613613 2151346 1885717 3255026 7723178 1968877 1622644 3437071 1355264 3557894 3452590 1993624 828474 911093 1794650 4343791 4708629 3113464 1450520 1171110 1634586 2829857 1360298 648688 2168152 2793744 1034235 6035898 4119649 2925829 3406013 4345022 2151378 4028148 2746097 556214 4276718 768368 1919774 1166596 1916117 1340021 1500482 2501131 2456060 4883980 1920285 4843981 4033032 10933281 1650163 757653 1389358 2263139 5653808 2085774 2631913 1259090 1490665 858096 1822673 801562 2290496 1781658 3113443 5362809 2833213 5261214 1372714 1704234 3698234 3950417 3612222 2576706 2067248 1596534 2646886 12833708 3396871 5554336 1771371 4282780 3142019 4283787 1700016 3381414 5072791 1754201 5504478 4219350 3704078 2817769 2727291 1639025 glycodeoxycholate 1025785 12159422 2435889 4744402 3586285 185788 829083 308283 427202 558279 1694052 1057923 209958 742490 1759389 1431264 1916184 1005963 1206619 492928 324152 2852680 426844 860065 1258659 1195739 3194867 799354 171474 492410 3134768 257765 806070 240774 1015147 419013 429183 2596732 309775 457945 2515009 2738756 732830 836754 549059 228301 1449993 417348 10256598 6695298 2465769 877174 906369 2018427 804823 2357511 4493209 1571007 936826 1208740 431071 932927 481663 1349011 2769020 693022 1074648 3360187 1673533 912233 5160837 1251986 530765 1932728 1507980 1371348 347689 7187237 1180072 2644811 391844 571004 2724817 1120221 2373421 666324 1399211 4085684 988158 1094006 548614 2692350 2018585 959969 12192750 581356 4842322 952522 411071 726980 1012350 548190 1327251 1044130 32643636 1228922 1876218 heme 4667627 1107095 989165 8567169 2203067 2983333 4432115 2314180 1107567 2550601 1085528 2168112 2059000 3958109 4644544 3756372 634034 4716755 4275311 6299783 626959 538942 1821195 842861 607397 601115 1091675 1480805 3787587 1548258 1007430 5002930 2198869 2622699 2649949 6392532 3799308 1541291 770013 1703234 568920 2223583 3083968 1287197 953229 472748 1726579 1097079 2350313 2272037 1238023 1500405 828470 303329 295781 1795444 1321209 3782901 1734126 1237378 3652112 3794174 2040797 1333577 1476497 2637403 2022715 1101466 516764 1077955 935207 319291 420109 502606 2296091 626149 1455154 1638813 1653204 918496 1362092 1059001 107273 513736 558718 1067661 346662 570231 441214 1127191 2898113 18424100 4131689 1366649 3323360 860241 1209893 706146 7003006 732592 355473 828670 707325 210016 1145731 2607261 1745804 1028210 617526 513600 4060870 922658 633079 811517 322979 265161 1163070 1400777 534850 697974 360759 1169843 605451 1216487 347580 700168 293779 259694 357157 224945 960973 107784 1599112 240534 1216834 872293 896087 582864 841488 349266 385078 605294 699922 994761 1077103 548623 977665 317570 297578 5446716 2203421 2701923 262036 835794 966511 1897977 1259218 2012228 521022 521004 2451633 680434 295081 212043 358689 1010862 495505 325889 4151626 1089608 1196270 1005269 704518 339075 231129 212593 340553 273185 885910 1823367 428532 1003108 385280 311236 427721 698459 544165 446092 916489 405447 1663483 1087280 1324964 585375 303313 331511 218608 1049509 L-urobilin 273476 228304 97755 89803 50189 1104237 531345 151495 445236 44435 142218 1353015 187116 72933 193732 5170598 607134 1068424 423659 165784 2010031 5063412 251649 517380 2075775 37159464 351560 601431 67598 949145 61928 471995 86689 49098 235788 863861 1340082 1289087 225815 329161 1665637 1711950 2870292 5533105 3362716 1563320 9411194 323332 1866271 1001452 3366855 12515376 1117841 5930115 421544 595729 20398306 1766148 11397116 442845 608264 2371886 13413149 183851 2347677 2582056 6341281 5758298 67351 393643 200458 85525144 8163114 201888 858651 162778 53429 115969 588588 1448742 373595 4649145 162265 laurylcarnitine (C12) 1396863 3912263 1463923 2004262 1576686 4932609 1367693 3778327 713837 9672066 5342817 1692613 756460 6574644 10679974 441327 714956 2293392 2787460 723140 12487208 1396640 3029673 5623579 2711253 3919417 1586802 1629860 3847325 5107556 4974320 3242980 2873499 5110396 3435847 2171306 760903 10455325 3665270 7102201 8457755 2394302 9833170 1836956 2970764 4285729 9831023 7083996 985192 3087453 2448928 2530146 1852089 3693871 2466582 1559095 3260434 7300571 2939656 5849314 1217459 5251132 1880085 478985 1647563 2895719 606682 3097577 11402977 5040848 4528893 2366601 2976041 4398562 150035 860565 5260510 3313634 1551218 11242152 2167815 4762154 3915594 1247985 2142898 3022116 5891046 3475987 1021293 795119 1644645 3128365 3053750 868916 4017570 3427068 724313 6229763 2213709 2391922 4450139 1640004 1220345 766064 1367428 685901 3034863 1238719 1712393 169223 508638 264841 1925993 379337 2673372 1957359 2840080 1979135 915958 1689545 2623039 810418 1229455 933852 433649 1115905 1537730 527538 1517666 1834457 2727493 888267 1292859 3880953 2027738 1271785 2931743 3092217 1571905 988743 1174257 405422 1445456 2207562 2125077 1738020 2031901 1765446 1269180 3357146 848747 370719 665019 1096197 1143499 2758177 585647 2102429 1885108 465934 249863 12521057 507730 561019 1456917 1024933 368013 1824279 2496352 2132179 1281962 474949 830636 1779612 1096650 3372822 1061798 1782248 989582 1062811 1920970 4853155 4676213 1252285 976027 1579281 4011040 2103282 913537 908521 1983963 9010599 882269 1296926 312453 6867297 777454 7196831 378774 lignoceroylcarnitine (C24) 1420576 1995389 2344355 1785921 1316132 1648011 800600 1502445 1640791 2261493 1891577 583894 1989040 1983652 3175656 1497970 1362935 1384437 1517025 846306 1326356 706599 3247990 1812963 2067778 1164059 579076 536151 1287513 1818156 1278084 2710292 2219760 1347265 590671 1534808 1803615 832573 1175583 2096627 1495149 1045035 720784 1206202 974777 625068 1820512 1210568 849675 1075470 2208963 1371477 1224671 1150572 848363 3414050 912452 896508 1017140 1300284 490890 1376449 916569 692446 973666 2305983 1789543 3198457 1177740 3194321 2406361 2188193 2337559 896907 561640 782824 1819307 1234002 917166 734985 1127427 1867308 1373337 2272393 1100447 820424 1853370 1852607 889218 1858249 1747557 928101 1426275 1307895 2360289 1884419 1004030 1181608 3192099 480581 1102353 1393064 1150089 1576629 2130981 636317 1588251 1271348 2095361 2669476 987009 992988 636577 547618 1211538 1406518 1528350 1486885 829001 573086 1195989 810262 3221620 1032145 1881103 2354051 907900 925921 1709611 884730 977435 816195 2193081 888738 794355 1806982 1660159 1077206 1177931 1865296 859497 1971744 788132 2545686 907669 689736 2285627 1825626 833973 1112117 1045408 2087293 675599 1772746 1178586 2523790 2425419 690109 841427 1458106 1322655 2912594 820669 1286196 623857 1351609 1476149 1759687 1266209 2055409 1986367 2110991 1904683 1511011 950158 2116731 924419 814990 695630 2173159 1894070 2164927 778186 1236665 1082879 1199604 1594124 2431054 1189111 2010753 1304216 2255726 2696814 966927 1519052 3718277 1655422 5304748 1403825 linoleoylcarnitine (C18:2) 8916298 8372205 3721798 8788106 6813266 9013775 6046724 10074904 4689604 9553518 10726196 4282554 5661442 5801246 7871046 4300023 5010101 5390775 6692720 5785235 8963978 4800369 6343876 11497868 6546331 5780155 6390825 5497124 9463140 7775725 8654695 4680354 13872000 5792669 5141951 5126968 3709688 7752716 5652936 6251438 10216131 5649875 7031929 3863462 6969313 6091195 8924459 16880870 4239200 5644826 6943967 10516938 4606389 6179791 5017019 6969028 9419217 11184505 6933594 7659433 5999722 8632101 4082599 1712724 4337529 4140192 3582338 10339348 8670848 6706281 8815550 6864420 4929122 5974734 3291026 6827475 10433177 7916540 10357529 11952820 4104331 5361807 6447715 5742895 3544248 6884983 5588692 4437711 2704296 6528031 8195040 5405267 6897493 14342903 8133857 7693488 3753533 12689602 7248798 5110697 4163017 3778069 1905412 2246350 4489289 1803124 3351917 4025650 3972470 1143890 1250374 2924023 3033375 1181080 4860850 2165337 3187276 3111336 2198803 3808556 4505277 2047676 2145603 2674169 2138942 4357902 1618217 3498113 4042870 2731557 4552051 1477677 5375288 4423964 3045408 2373655 2421252 3332587 1783153 2233577 2661092 2598320 2428977 3004244 3463685 2914414 2391469 5831989 2734952 2924676 2452697 4475276 2393110 2134143 6761396 4524144 2996612 3622978 2660382 867599 3253262 2922551 2125781 1389456 2061762 2620974 1265580 4486642 3158721 2716968 2725173 1689565 1653258 1848602 2339415 3426652 2088948 2397242 2097506 3518492 4548762 4394259 5669358 1946543 2538426 5718580 2937078 3652297 1494041 5170272 4059391 8345647 3832811 6324408 3335421 7847634 2283524 6868565 4477923 linoleoylcholine 2855096 2383359 2615281 2395980 4227813 5654737 2225912 3710347 1656803 4344738 1895490 3275116 4544970 8455427 3909924 3454113 3190861 1807915 4325675 1656147 2203106 10046646 4821494 4413260 7239538 5630300 10673232 3689058 5403831 2877128 5166580 5508745 5561366 3373166 5275699 1728812 2324632 3634568 4385398 3200749 6187030 4666886 2239616 5762198 9337331 2684497 2003447 4172513 6518186 2386930 4408589 4824935 1620694 5392852 2272189 7128013 7514933 3247304 3583795 5647885 7346996 3274061 3189089 7930033 5004377 4259569 3093820 2570242 2653106 3606545 6829642 6003037 3446742 3810569 3739470 5850789 4261470 6811468 6203696 4439910 10616143 1943678 4426717 4568004 4305585 5693753 4494742 3245235 5500338 1824708 6026897 2603267 3419629 5517153 4829645 3771393 2749144 4735970 4473383 2419144 2081193 4784278 8351338 1522737 3126456 3399574 2455185 5947837 3453829 14202915 7888688 4668929 2848957 293184 12880882 4032357 2538710 7452887 1906928 5379762 5882388 2257414 3985846 4320533 4078820 5984237 6834817 3531030 10278254 1929743 2331444 8225809 2881673 3901842 3199388 4401039 8214750 5382004 9363038 4266321 3541006 2464165 5327418 4393923 3425497 3762574 20576604 4948307 5845935 1704598 3131137 9483629 2964263 7990730 8577944 7007811 2214761 6663622 3892069 1934374 1882078 4313494 2015201 713189 3150246 2004207 2814085 810148 3686158 7466769 1788126 7553971 8333717 2557307 5031893 5201966 8603993 1687491 4077318 3418619 3467279 2950597 3998427 4019570 2778874 6433852 1982525 6007644 10973681 4510090 4395272 6792397 5755182 6075759 2312897 14445761 10238975 11124977 4134006 myristoleoylcarnitine (C14:1) 1818349 4679604 1150632 3411383 2556356 6560115 1722985 3465249 1006342 11490545 11187793 2066238 1139851 8730051 22603894 433956 1016696 2549370 2859616 989623 15543684 1327833 4701391 8567755 2977947 3854936 1872742 2007716 3287322 5863183 3590661 3653591 3857558 4859395 3610528 3028563 983398 16577732 5375900 12988069 12224284 2492149 9921328 2301013 2993744 5526073 12974326 11090373 992425 4435156 2696796 1623429 1830919 4073433 2176734 1633603 3961628 16145271 4960216 9450183 1192853 5949618 1784396 502021 1942148 4418493 596317 6459949 18010246 7685264 6956179 5043459 6345955 8718553 166937 980950 9840463 5443204 1142153 21368042 2776540 10166996 9810296 1349116 2864175 4671101 11805163 6227099 1376181 576448 1977790 5510477 4303218 959142 4134376 4124931 893531 10476794 3064018 3278748 5528139 2769321 1080495 983430 2505791 756944 5528010 1232741 2195598 477284 229366 2146101 376806 1636444 2333004 3183141 2113779 964068 1401655 3986305 1242889 1858905 794252 525431 1954182 1896522 437627 2092216 2617060 3018128 1005449 1739762 4291389 1520210 1653363 2664980 3967697 2141868 1659001 1448756 449939 1315560 4182171 2199224 2538424 1160778 2167344 1469046 4355999 640253 658865 1758760 1150314 3376357 873228 3577010 2659253 453891 280345 8874285 442693 470298 1394643 1443438 362251 3485576 5160248 3226714 1961252 657465 563788 1699283 944144 3862975 1425260 1087384 945473 1190786 2902467 6285598 7011961 776304 469945 1250236 7267658 3176153 660610 1739869 3205444 21693830 1490615 1890987 309948 15430874 858404 15209516 598813 myristoylcarnitine (C14) 931693 1672897 543606 1019801 806552 2191017 740643 1678079 419234 2711905 2686293 687883 541924 2084427 5635846 337901 686895 943724 1777910 601906 3327451 884283 1738618 3480114 1391453 1527047 1062038 849923 1352135 1882920 1407270 1394006 1318698 2062101 1145741 1382388 573905 4413496 963254 2909253 3307026 1254070 2972427 784354 1404148 1706240 2725053 3278956 515427 1473855 1232612 1050249 718804 1235849 720078 994128 1204659 4643163 1657066 3105335 850786 1945599 1008097 343804 881518 1454763 313058 1590174 3792515 2607458 2120278 1403344 1488673 2285338 321717 740550 3055003 2077860 1202391 4403334 874963 1941816 1895104 712760 935645 1497952 4017621 1461702 596488 615244 1120095 2498527 1098924 1227640 1951978 1653692 608738 3725937 1162573 1224792 2121444 1037878 514915 338176 681526 250797 1185457 474126 661605 122110 848104 262479 785087 654869 825850 790941 392880 537321 1163226 428263 582571 437881 172156 558441 582192 272467 721732 815266 1057784 518028 570379 2264516 345017 546899 766678 1107407 624754 536600 407531 250779 412129 1016837 853662 663035 369204 811858 618118 1861756 370554 541362 294567 438452 448915 1147924 209702 842388 873486 252256 287959 1557539 262553 185012 625085 404958 125991 852799 1110979 779285 591910 258346 127475 420963 380096 1135497 456039 497414 458087 461603 767002 1595723 1553419 389294 531233 474147 1990279 838985 242204 708254 831209 5015731 354292 1069465 158137 2807994 269432 1515953 268560 nervonoylcarnitine (C24:1) 95549 74733 105979 78784 128926 72583 180662 71844 83411 90947 87548 47942 114603 139876 101079 181266 98569 236338 94722 81798 108022 170508 123589 227346 121988 57371 98515 151188 115723 141163 111301 54474 72920 182709 91722 181442 85140 118391 116263 90583 100055 80643 131850 185209 192787 102432 215151 142305 126392 58300 67123 102464 79079 72218 106520 60884 91792 117476 59327 129598 58409 100884 116511 92881 84671 145263 128585 44409 87108 67725 94824 68520 49623 102086 65216 104333 97089 73729 82348 49337 146978 255249 76829 82187 147846 81759 57692 218509 62784 55617 125312 85514 133028 67161 278614 53991 74582 82525 52537 147364 125611 180604 75976 63504 156758 171700 100953 nonanoylcarnitine (C9) 62749 109452 80808 201466 225886 228039 193350 120900 376817 137186 161614 107804 303103 320015 122599 177847 69896 193911 289621 138090 242203 152666 131103 175216 122164 163721 119173 139676 322152 185470 187901 212289 222082 232111 253854 242212 242719 191811 188840 82454 146244 165734 442330 192155 110996 179090 225876 160636 160421 191164 87877 107988 144212 204923 151804 306251 101364 188939 149451 183286 147414 164941 85481 150562 213557 154679 162337 162895 59842 131660 61432 224560 140062 115430 384047 142721 174251 289548 77297 144327 159009 178799 147494 138394 140787 129217 58835 232852 90958 266704 144039 43970 215464 174094 161545 206006 164149 118642 149329 126271 82294 206879 165955 138654 217045 97671 143060 143320 178605 137830 186742 104651 157115 97361 42531 134480 145850 53820 133506 91668 98875 221772 145318 272026 152301 449589 120382 248701 104266 126076 136895 137313 158396 120356 91722 73552 113572 131866 251740 82418 106466 61389 123228 159971 100310 155987 63090 1928091 122765 81306 161901 101266 66763 100481 67476 170282 141249 118873 82123 100771 110365 127269 116576 121112 168916 186999 238297 357009 77538 125472 192191 146424 129320 109961 223905 131482 93231 93461 320318 133696 1281715 49030 octadecanedioylcarnitine (C18-DC) 654991 554776 620705 506090 676218 3055361 559200 359299 223790 288316 469733 514890 470030 2713617 112404 201825 456256 438895 1439736 105018 231386 760085 680361 320565 165131 320728 721727 523831 434774 495752 180391 404720 225657 517552 322820 284568 525895 410508 180580 192844 324692 582936 114358 120511 834358 317980 247886 470217 502700 106630 327791 524440 324763 240114 316924 868386 560419 464271 195027 132619 286145 197705 547705 303103 932860 1128232 1343309 397928 416221 430233 215903 154550 420936 373284 214817 379616 89489 479278 234070 187001 130390 234996 572628 403435 307620 328928 174857 608651 299042 125641 431880 815997 184149 404237 437461 637483 1192934 1230778 546992 703686 766270 863161 208835 654919 1441501 133954 825400 780804 127984 285706 799760 873639 347698 605118 1018308 71611 269152 221588 397097 338154 337304 442794 711613 759361 250970 335320 659590 800234 284373 640875 816609 342716 1731791 985233 866567 258275 909931 1804203 299236 76225 2141889 222635 628526 649828 959843 895677 181342 431950 878600 450682 217908 1964471 182857 96450 1414232 991915 122445 577443 1006240 1010553 278365 1219567 1512888 138499 608448 195374 294397 424497 976230 360576 347651 202950 466125 854356 377457 316373 138359 186594 662001 269248 626219 666497 235490 1077713 264476 327982 376821 859059 141410 263905 415223 octadecenedioylcarnitine (C18:1-DC) 436931 430072 290068 419108 6300897 460486 982788 354135 4889999 141830 2222291 134120 442637 435060 321730 273376 147901 478722 422292 341454 576859 799115 492522 709562 312066 385179 219259 1254557 253963 200208 708721 173473 1476846 493894 77423 171497 128635 260609 958563 626886 1615959 621788 399318 593851 1069032 265543 484228 875692 424466 398455 706959 848748 198202 699471 479139 93053 322067 421089 83719 654352 3826946 2108479 565722 708721 961270 1661183 884194 3003393 3432809 555127 1660122 1222328 1952040 2556560 959762 1846640 3495997 409628 2447308 3886407 603258 2247946 2215152 1939809 2031979 1061771 3076893 501732 1317149 1092753 1253775 3935187 1817778 826027 1378274 2201803 1888232 3366205 4043739 632883 1002702 3322658 1246644 1018079 756469 1538806 797229 391647 483814 3635351 1602470 octanoylcarnitine (C8) 3045684 4554333 1693356 3655163 3306589 7801414 1946668 6706955 1179338 24447112 6378079 2731622 1342305 15347616 8610624 935650 1725977 3668727 5267213 1276481 15719006 2272255 4682040 5028993 3751895 6300687 2936408 3138214 6206383 8482166 6613721 4068364 11224986 5414211 9976722 4406717 2139960 12489684 8819344 10551021 12229696 3336158 11094402 3288858 4620604 6016393 16441444 7729115 1837215 6171333 10124916 3379172 4949856 9895419 5677958 3259818 6632964 4661017 3952310 15507763 1927736 9025477 3315323 984456 2827115 5733885 1556463 4306415 12719606 7106603 8293828 5875476 3641020 5213110 280221 1076936 4538169 4639477 3358861 16187644 6552441 9917885 12338150 4781206 4877047 7161883 7481025 6037993 4147875 1453269 2924688 3032978 5844420 1404470 10291258 5498428 1635208 6875113 5306021 3493194 6903439 2334523 4540276 5802831 6032601 3859202 7958055 6560558 6324480 1887537 2432612 616097 13364082 2776832 6373733 6586092 10708135 11866601 8892636 3461409 7055604 1722111 3679963 3376142 1382415 4723528 8376914 3463510 2552936 6173043 4581616 6775954 8983290 4885900 22733278 5496355 28280662 6922543 11838011 6196994 7313643 2594602 6705384 7226222 5576763 3981884 15236920 5512720 6408901 5238367 12466479 604006 6410217 5039844 2707338 4810604 5189511 6176656 5041326 5488202 1266676 211800272 4044425 5375403 5604345 4529244 3150488 5047673 4633939 7945009 6237900 2975305 2512679 6593340 4766421 7251117 7314891 5499427 6240077 5830790 8976219 14671218 10819457 7499806 1723767 7136086 9425198 8042890 4952042 1669883 5086998 7371640 3522005 2119242 4039407 13869059 4001226 117714248 1803778 oleoylcarnitine (C18:1) 8521121 6729455 3456851 8711249 4925175 9315418 4676701 5366965 4317757 11828833 12547402 4763092 4292423 7504782 16579018 2147342 7362822 4222849 5824312 5387587 13532871 3589529 10535400 13935565 8122630 7115925 3813011 6859359 4588025 7355797 3081974 5912790 16117343 6878546 8040178 6974755 3422972 11732801 6885494 12399420 14547155 7872516 9317896 5532009 6126449 6901666 10353491 16798198 2783496 9753903 5351741 5922820 3900802 6843905 2038507 5383031 7590951 14582562 10338672 11482532 5725582 8900414 4573554 1993055 6345448 9576113 2917011 17571698 11727750 10546338 12443335 8922608 9719529 11324086 2686581 5344022 14087879 8142432 3682730 14530386 3598710 6863788 7387398 5346759 4640521 6294016 7936275 6899140 5247636 3007562 5501380 9235010 9318956 7773754 6175879 6533750 5016698 11527878 8479764 6905083 4693401 8156519 2459082 2572149 5653847 2119775 3307918 5628844 6316151 1377619 1439924 3456809 4464858 1940547 2786404 3747970 3016220 3308008 2632898 3812360 5654675 2655801 4454400 3330750 2158561 4003391 2072895 4008680 5523277 3315870 3527113 1994080 7547879 7970663 2846828 3714953 3710582 4429881 2710979 2763272 3678908 2813285 3016088 5478476 4446055 3332655 3086474 4425700 3115063 7225657 2782360 3187693 2571534 2879699 3843694 5765857 2670803 5574642 4725385 1922652 3008660 3985236 2478758 1908736 3569185 3485209 1397813 8561080 5006460 3569451 5683362 2619267 2111095 3095629 1799634 3672307 2980277 1819099 2073022 2144773 3747013 5812560 5871901 3017718 2149426 4727174 3686919 4930255 2636003 7918051 4892548 13964216 3659280 3563675 2697955 11569966 2164572 8883313 3075078 oleoylcholine 987414 708054 871843 838116 1276987 2008936 824097 1036005 838193 1543024 747676 1119014 1907228 2962712 1485369 981346 2290923 642374 1889503 745021 1266165 3314041 1892657 2047086 3254875 2760130 3765047 2205140 1332856 1055910 876741 1383234 2356804 1385345 3386333 810961 871562 2482233 1778461 1971530 3486280 2851629 1117466 2659616 3713195 861169 1298786 2132759 2388410 1710336 1728138 1638578 597812 2136390 360643 2662399 2686079 1179430 1363209 2276344 3580575 1543526 1565033 5182623 2107299 2164649 1187438 1331072 1130847 1849001 3090836 3159397 1467105 2636160 1692912 2335544 1661106 2039919 1385647 1670380 4374995 781666 1868288 1190368 1482617 1459064 2175401 1606004 5242380 459349 2065968 933423 1633382 2148199 1687884 995536 1490899 1889912 1915864 1115702 777854 1801999 3356758 801759 1352838 1527144 1075956 3654767 1416043 5736778 3148314 2993979 1465212 140779 4095730 2265354 1306004 2892647 866337 2203620 2686261 963827 1892966 1933384 1827220 1621394 2393923 1628638 3390655 943348 364614 3743311 924471 1336109 1233353 1915281 3152916 1992525 4674883 1619584 1916914 882061 2883047 1754799 1010052 1325471 12490230 1602268 2451068 1096744 1587528 2910120 1154133 3317520 2246737 2291134 924028 4754249 2135753 829755 626857 2160629 1049332 486080 1786574 1039051 1583486 652695 1046410 2856988 1037059 3697516 3286631 1886979 1760950 1762050 2799101 515754 1968153 974974 1779750 1306205 1731727 1649361 690163 1732868 1087750 1871256 4929070 2118977 1509480 3088984 2146215 1374215 1204555 5615973 2432865 4407938 1552970 palmitoleoylcarnitine (C16:1) 574806 1021856 406059 673854 570903 1268979 676672 955359 585625 2144643 2915795 693618 565302 1619943 4700629 182353 625413 485805 867514 520177 2649358 729994 1610562 2383651 772724 882361 520121 971043 726960 1271915 553189 639623 1562297 1019365 1108387 1063025 274935 3564738 1160990 2636205 2559189 1490821 2360954 885785 763885 1412303 2171419 2758919 328263 1578678 727858 775624 460724 1183481 369263 626775 1240909 3965315 1806104 2810156 665920 1060166 531059 316535 960491 1642388 251249 2380333 2959619 1636350 2377507 1654239 1289941 2256726 141127 480225 2807284 1745611 491613 3902875 762394 1772056 2227392 675263 691759 1371189 3479180 1665453 702420 307132 678348 2107403 1404678 914995 913272 858036 497773 2794178 1000367 861051 1086637 778442 228610 276318 553213 166242 843131 520415 463366 108033 125097 694275 262698 361040 519439 509568 444777 265112 407080 867192 458648 468881 373784 91295 385189 372081 185223 411837 476111 612562 322314 447221 1423190 433762 712657 558511 923441 492414 417375 422315 226401 543452 1147587 681996 708933 227433 503856 464818 1060161 184100 169601 176678 394879 196611 648634 237148 994868 773057 198945 940895 149094 153639 783317 372231 1189586 963806 564156 642228 182702 85704 375828 191385 554741 324412 279169 330506 257318 565366 1120510 1280863 344384 149551 334590 1447838 912390 409469 585284 686430 4505547 259224 545798 82185 2740683 195764 1822070 193033 palmitoylcarnitine (C16) 7932349 6734633 4801981 7663859 5646480 8693843 5358782 8381003 4261546 10118512 8466190 5386137 5197058 7131555 12645373 3491691 6157887 4441587 7788607 6128579 10458343 5721432 8793247 12261559 8807991 6858749 5786473 5126945 6453214 8221948 6470581 6910572 7245833 9333414 7702780 6653043 3322268 10538508 5010071 9354690 11987690 7719717 10591486 4984527 7053587 5766274 9138687 10670607 4271246 6315303 5533430 5646747 5478726 7308602 3387221 5194912 5683091 9873392 8044659 9417618 5281083 6408712 4313209 3101959 5520784 7300993 3260529 7168136 9657938 10001673 9152347 7512644 6207119 9074689 4111168 6713870 10906707 8486340 8257365 12384765 4421623 6020446 5909400 5546418 4148125 6116663 6396181 5878218 5256172 3737522 5638458 8494436 4890001 10185225 8714381 8291388 4955799 11209743 6114955 4734477 3679241 5480579 2281378 1645513 2939335 1526174 2333204 3221970 3811402 864445 1086241 1531830 2960526 1295706 4721207 1954786 1627516 2448383 1437892 2644046 3282160 1603223 2964278 2561955 1374116 2618801 1635320 1794123 3235853 1954658 3388450 1650765 3562344 5193910 1937848 2689184 2625837 4056190 1881434 2139288 2348114 2056259 2398207 3560807 3022708 2559137 2239494 3608939 2679492 5059021 1815478 4146944 1730675 2334981 4188431 5016783 1435413 3718836 3093337 1571184 2410787 2358437 1515692 1279669 2215505 2034714 816008 3567406 3255719 2195533 2741295 1794809 1228871 2143445 1461762 2961717 2133997 2550831 1919428 2636557 2366204 3953220 3744070 1999820 2889344 3757308 2694777 4092773 1784072 6200317 3322323 11789073 3250256 5229075 1612554 6923007 1918975 3970748 3201725 palmitoylcholine 3330244 1939536 2185087 1921624 3114644 4736782 2096434 2806096 1776644 3772124 1876007 3186917 4331680 7421586 3743694 2720349 3981483 1332419 3935522 1677799 2734773 8665049 4607079 4482103 6584051 5451628 8152515 3724150 3908720 2677596 3394813 4291368 4745726 3640578 6793647 1858824 2013277 4663971 3470459 3395324 6431772 5794226 2754241 5713545 9201071 2439534 2583314 4309267 6741955 3468562 4051757 3885928 1948709 6252280 1273998 6695143 7391266 3559221 3564187 6231317 8592368 3155623 2816654 10042515 4126013 4413482 3494649 2357656 2758852 4198863 7124102 6309183 3209585 4453694 4271039 5313110 3805685 6316373 5092040 4148562 7971498 1580301 3613683 2658804 2388411 3271796 3702200 2825293 5351657 1515993 5618751 3176236 2994673 5709724 3864045 3663477 3687274 5008433 4439713 2587814 1734072 5023679 7670130 1312217 2384054 2920944 1977490 7226211 3619044 9878937 5247206 4543745 2566020 347158 11526310 2636227 2058827 6216299 1453348 3607227 4926844 2484048 3673976 3424467 3105504 3279735 5457464 3001226 5246954 1555772 1389533 5005185 1860675 3221238 2819486 3333247 5644844 4170884 6668545 2769838 2795315 2041654 4604704 3307993 2420139 2480908 16787404 2623864 4694017 2361825 2293392 6592065 2472608 6057922 7152622 5145617 1455853 7363132 3819775 1507246 1401253 3667844 1929805 1016970 2366002 1942724 2602567 1132255 2687839 5814931 2414454 7069033 7294140 2825865 3570643 4293106 6051859 1154541 5125342 2589526 3010887 2272576 3946868 3030807 1769094 4126985 2208897 3266569 8844623 4169165 3019556 5806099 4111989 3557256 1965689 9405134 6266102 7475612 2956737 retinol (Vitamin A) 11610545 6845281 7395776 8279902 9828470 3923808 10771374 6517726 3709236 10746223 7372849 7482556 10447863 12251744 11915562 8323449 7314581 7925336 8336257 8305315 6016548 12994344 8842746 6425842 5453402 6689203 9066421 5055032 9873144 9205074 12860567 9272884 4729157 9382226 7871375 5717547 8299774 8861505 7223996 6797401 7981999 8600145 8889973 12257957 7898235 5661752 8283472 9592365 7329248 16535695 10276153 11331322 7252768 10635746 8649657 9967105 7396868 6506368 7567792 7709786 11941976 9264574 8663466 12732747 11305252 12150567 10478751 7433822 8755647 4641087 6666918 8701466 10935263 8304333 9404348 9672440 7674670 8141713 15870152 9072129 8005505 6660377 5642912 6684019 5195269 7991364 7664202 8464332 7979354 11456326 2198089 6212867 7362076 11949662 14119471 8765902 9478432 5775627 9859394 4850139 4939663 4435246 6094208 4688527 3632898 4190676 2937093 1779669 4077899 5532031 5365921 6481686 4380780 5717016 7396796 3825107 4067626 2986167 4597453 5273312 3214844 3125741 7552323 3492065 6455004 5567315 4784737 2284976 8484261 5012837 7421309 3104762 3531182 4003076 5082585 4345483 4504368 5867183 4088662 4791636 2535906 4674589 3490425 6655560 3961061 5175362 3181761 6355150 5881026 6098624 3427684 6465021 3669683 3990768 6310268 6037566 3057506 4078263 3900331 4101697 6991953 5682387 4057280 4533827 3835621 2230673 4560189 5079233 6734109 3102170 1983332 8863738 5722882 6156971 5040428 4640654 1286662 6458802 8973094 7509787 7565946 5459406 4954133 5032230 4021161 6924766 5190419 7686287 3262590 6973029 1381815 5798905 8298870 7154492 5908221 3488833 7386559 6285506 6818702 sphingadienine 470985 477532 507873 545496 416927 493359 478946 676824 369104 295366 306899 454865 488937 446579 371521 302982 458675 267349 570975 532066 453539 316195 390756 477365 380434 362706 383650 558742 327180 208848 341733 494427 506476 453272 405830 950444 521455 505023 696022 311320 344960 485555 646484 390744 346991 579892 672742 592465 338207 381337 721694 460922 254700 578140 356129 383305 293007 307936 420215 342148 352674 318993 408507 561288 337698 183886 541194 363104 377961 333959 421944 231297 303211 278740 239873 395311 355588 439981 314394 210269 206548 316413 271890 110036 190202 95211 212257 240575 398396 499534 194061 335867 892700 1281021 820573 901707 570658 609401 386640 239560 782433 789220 209194 238102 600929 351415 1539563 130015 1109875 338323 379531 1035356 464865 1606237 121254 1219726 771926 857646 132571 878270 130616 560242 2058312 187601 962180 203571 184169 433135 205927 196479 236757 123999 195178 88308 240274 109368 438625 136851 251244 262905 164944 147107 662750 331471 337000 210699 1754551 323227 154918 1035753 232280 149644 98306 89122 2711183 1252786 474016 845112 85373 322703 192540 720975 1238760 1161153 1808708 1775940 952165 612570 1475464 223605 1429721 1292398 1547139 176849 1697238 154682 165383 217794 758967 113220 264946 462006 321468 216529 809636 205080 343602 241672 143786 586954 sphinganine 630453 780263 771280 676595 660978 357702 368270 1269178 470762 362224 418095 535034 367670 734461 722882 606961 928472 492571 536072 362166 327564 462862 620878 450333 396046 582516 377572 962975 240209 317650 297624 643259 659203 575961 537610 822524 749666 745193 848449 686440 490624 815147 870514 419684 344357 424578 853479 712998 431960 524957 944234 766426 344496 490388 167437 348135 345055 302706 338952 607251 414218 235154 361762 496952 501593 380447 249454 505725 472482 326542 406066 435934 297387 318535 387758 308039 523356 269689 332486 265058 272006 221374 606433 454990 195899 160424 323095 179283 227439 437148 569919 351833 515528 1425216 1770700 861598 854346 516162 870993 1037974 504957 1566303 1013434 407428 386577 275230 2606332 620858 4380395 237309 205846 3696958 1881995 1027485 2967314 365017 2125570 6227514 352920 234348 3611752 3823703 4003608 322020 2862063 274819 1347490 4188936 172658 2669319 288620 669405 869300 859488 206816 189993 435165 287011 566069 777130 428189 214222 1189575 255900 349103 646977 366124 154838 535020 1512667 560957 469686 1467551 173953 2331228 414479 249219 1354758 301224 715684 179819 241151 4943249 4161601 1495938 2589606 95559 539183 274249 1780595 3482721 1155043 2200129 3788595 2606268 2912192 3063230 379289 2011599 1179426 7030233 341638 5106125 231909 215461 562594 3718820 286534 316308 538364 690613 309056 1235113 216761 205293 420990 257477 248054 1047493 sphinganine-1-phosphate 684105 616805 697427 804645 618172 314092 361243 892649 597973 315936 468826 416675 449714 428343 466208 311819 737476 288435 380735 319296 350842 717141 795903 509354 609336 486876 577469 632682 362999 310606 345156 712523 550295 386656 284142 362692 397929 473571 268454 247312 491989 307834 467290 359451 442226 443995 492156 471530 473392 383919 862839 678614 544729 266462 259796 363245 215026 403793 492093 420951 344578 475801 463837 428184 521309 356001 453216 448307 328509 469452 642515 425286 433681 579360 522115 656233 617629 259645 503431 376244 323426 403796 602185 464789 233279 226807 224824 188244 294219 576020 718608 388596 314853 557455 597899 348273 597987 333867 510635 566800 98007 735199 186819 219601 297759 223482 371613 134500 210317 185993 168263 293609 141544 265765 220808 99648 288679 372569 374553 303571 251827 261886 178266 105474 218591 99152 217994 310921 435635 172666 219561 353817 321506 392204 440592 158182 253695 250624 52499 290226 136676 381268 133400 211845 229900 346802 269014 126363 296593 233503 490560 380802 281413 145633 204881 96641 188562 281653 59371 264815 132288 152535 274088 252057 573045 350205 351676 225241 497014 326714 185323 179365 280567 307311 131433 326378 269777 sphingosine 2413193 2656701 2810368 2371098 2418941 1660162 2038969 4828212 1852887 1502666 1868844 2616804 1627743 3428887 2901048 2064097 2452661 1731377 2391734 1669931 1715783 1646117 2345089 2304256 1829699 2223404 1663922 3296391 1169588 1076499 1317981 3078389 2947144 2280218 2166342 4945419 4397165 3435210 4113415 1882609 2039162 3970833 4066989 2118551 1549532 2317193 4348071 3239671 2158155 2454909 4838603 2953579 1498884 2827985 859786 1624047 1732922 2027112 1835969 3114012 2679398 1196220 1346963 2383418 2582271 2231196 774674 2189915 2514038 1747970 1968368 2391091 818673 1268309 1620609 1345986 2081061 2117253 2076147 1394341 1625865 756664 1775873 1696749 630952 788594 1038316 793690 1116083 1751946 2516267 1205012 1828631 5656220 8836381 3951720 5251720 3367127 4890023 3016397 1155996 5329332 3957628 551922 850552 923374 4847201 2256014 12188635 853691 618224 6246328 3123691 3135186 9251134 458984 4529386 14826026 766014 625742 8774700 5853361 6143832 675581 6894967 950530 3901797 12956451 605477 6946811 681049 1274194 3534189 1500361 706991 943116 1493710 685282 1999171 1624962 1492163 581496 3481556 464227 404505 1273661 1443724 687515 1363176 3524725 2066218 2300967 3567783 1042336 10446364 1994272 905124 6911231 1332858 1330714 784498 630123 18903600 10563652 3181065 6647804 473189 2012855 718264 4171083 9001583 6232664 9419844 11162405 5459170 5498706 9384842 1408899 7678370 5689262 16508649 955587 13439498 718999 710039 1350997 9239600 1369615 1200707 2341121 1676931 1140935 3560296 914736 638586 1954701 1209710 821564 4172372 sphingosine 1-phosphate 4150680 3139077 4610412 4256007 4415970 3401069 3122519 5183469 3560343 3024245 3517903 3477310 3730629 3913273 3379875 2486969 3709492 2526069 3626971 2644720 3163425 5183370 5000462 4527793 4109960 3760561 4061189 3536047 3443890 2841772 3487694 4662742 3901991 3561141 2985110 3365063 3305024 4057996 2969638 2596462 4029479 2705410 4113296 3257636 3683578 3796463 3719773 3215634 3666454 3166091 5958467 3793313 3958992 2932967 2731666 2832952 2352888 3307442 3694128 3436341 2460674 3343979 3058230 3776731 4307924 3989331 3308434 3311780 3946064 4793203 4466179 2968259 2914145 3458374 3654426 4166480 5166913 3153147 3886562 3336948 2636447 2999609 2846091 3228481 2349346 2733083 2437677 2655655 2806383 3777470 4169871 2766926 2739449 3813412 4220150 3600878 4947196 2726721 4041418 2796752 1686413 4251862 1661094 1464615 2090691 1847788 1217339 2335094 1235045 1508471 1674041 1374095 1052614 1758356 1478182 1682740 750684 553827 1514336 1067445 1380028 1230945 1845103 2568730 1073978 3165792 1602794 842953 2618593 898566 1963690 1982136 1820369 961568 1654928 1519710 1957540 2062663 2131060 2895668 1842443 1728613 2159467 1592489 1807462 2579854 1627290 2686202 1613575 1327321 2253180 2148079 1589116 1111070 752931 2201884 1808209 1318820 2226837 2089673 2219580 1280746 1024712 954406 1906323 976399 2138403 2836987 2573171 2389578 1340883 2253041 1336240 1580745 1756812 1225401 1009381 2474915 1696313 2129620 821037 2104059 996899 2056627 2884684 2765504 2128786 3538337 1669231 4176831 1651593 1949474 1795553 2594648 2589611 1600918 3068557 1920625 1713475 stearoylcarnitine (C18) 2569545 2588641 1771816 4099498 2732033 2883789 1707742 2761436 1490526 3683322 3030261 1581697 1390971 3209547 3362534 1144852 2759121 2761490 3054983 1703857 3492118 1061675 3387318 7146954 2259431 2142171 1737143 2791381 1735869 2415307 1306657 3046141 2985820 2749660 1717477 2766215 1713536 2686243 1652481 3323312 3638171 1895957 2477463 2003713 1904800 1437366 2760248 3159337 1399425 4205030 1909250 1221658 2213901 1851998 710134 1710870 1581013 2925542 3019922 2615363 1685785 2400818 1675634 1338590 2693644 3440043 1306019 3218532 2459960 3904601 3557759 2659027 3014962 2622062 1015165 2216151 2775987 2392230 1898225 3397637 1186800 1783082 1910148 1973611 1554903 1690120 1926887 1456008 1425496 1582786 2032771 2053675 1680558 2361479 3991705 2492401 1312685 2831159 2054306 1463314 721820 2564481 999323 511451 796641 516716 656742 990703 1552558 311574 323629 315808 880039 507359 934697 792239 428636 688111 366743 773245 911602 301107 858247 605666 586767 970294 300466 701830 3114238 625900 651717 350469 1466797 938282 402779 980242 875763 1067323 779662 658017 555869 550805 486645 2130189 734324 594307 1079628 2306082 584372 1456490 562791 1383944 426961 660207 652032 4189962 380087 1432066 977737 382669 623927 1167513 542289 232461 506419 768022 265633 1244264 886478 729301 1030295 1369430 755373 649871 307150 967158 574336 596964 272735 728479 619193 1252974 1461308 896449 1058075 1001370 811328 1085110 435515 2928250 959416 3656698 1122475 1109950 672356 3075481 774015 1542341 1207292 stearoylcholine 1623343 1319600 1212938 1048538 2159243 2934859 1554506 1613393 1088815 2414164 1169737 2071667 2749528 4685066 2345098 1499485 2489129 874876 2225205 1105598 1503847 4540004 2862200 2674584 4570746 3274365 5613219 2707157 2890446 1844931 2136471 2800233 2927972 1817541 4035092 1005480 1519690 2555317 2146830 2313772 3981899 3240150 1314274 3081626 5596473 1771683 1309329 2999961 3988636 2204443 2694406 2478420 1040944 3623470 615280 3977529 4397758 2051827 2259746 3412052 4746371 2092236 1817452 5690442 3188190 2673798 2182392 1732559 1642022 2200741 4893255 3256487 2128950 2349147 2556566 3315224 2486959 4801683 2997114 2617612 4970418 1072333 1909999 1512218 1912680 2035408 2185163 1881640 3167495 856378 3352988 1410698 2333054 3281561 2176542 1963413 2130280 2947788 3651037 1291499 668755 2578128 3814949 590444 1119994 1397958 1162307 3567390 1395622 4575884 2986735 2674689 752872 7403625 1514078 976275 2669460 558820 1925104 2518325 919489 2202234 1286846 1908919 1987796 2644156 1509175 5215722 680614 925257 2491453 923421 1123775 1313180 1962257 3188917 1883794 3785497 1097731 1251534 1058419 2062175 1790025 1298028 1856768 7102094 2032816 2371408 999887 943170 4117021 948034 3184912 2659915 2887245 919041 5146963 1421120 623718 847016 1577611 852125 450457 1093423 850050 1421298 561037 1631456 2957885 932798 3509822 3873565 1179605 1684536 2332707 2543703 620371 2110593 1742256 1704166 1466771 1650357 1603288 933845 2072291 887730 2301820 4598331 3051520 1571571 3916715 2684974 2580675 908989 4959337 4180434 4795718 1936860 ximenoylcarnitine (C26:1) 220719 281763 154160 330779 226909 163023 157796 178592 317409 197443 75491 306931 124059 348050 114645 322802 125787 274405 177477 418791 208365 327017 396068 330198 167312 171645 99613 166787 332903 251637 306122 408515 446889 192769 150277 120315 171194 204695 283624 206877 252979 142817 167184 347985 82062 376584 224799 136017 195683 175488 168754 144120 258009 132287 270119 252688 240993 171316 229828 164518 135088 204188 105322 165518 258727 157810 480569 222222 443099 119712 244789 126054 136150 192388 211568 258348 129873 168292 178386 119240 132735 168125 284163 130988 148443 237971 171947 161546 228301 130591 173655 182240 202408 200005 216066 294307 255886 60917 171260 233819 151880 151483 97408 175634 272935 211731 133367 144763 88699 109333 147631 98608 200551 203166 332367 76765 140540 361276 233298 285768 130382 100953 239722 131431 177113 194300 113560 252160 191221 194656 273052 278566 96511 363844 123435 130553 172681 87356 524271 279883 181101 265076 149271 704392 80812 290217 278106 403600 247400 256151 294143 159735 276725 254850 110167 135398 78376 241638 107479 481149 160862 202895 236692 364776 134840 245377 95627 250410 181109 124556 151210 144275 159421 135426 178017 147969 90634 118824 96206 317668 136412 385266 152839 494153 302943 376710 241743 340602 167828 405180 373303 (N(1) + N(8))-acetylspermidine 1029189 902372 1510404 980484 2266426 1342293 963808 2437142 846885 1286486 1443135 1459252 2351098 1737626 1758405 909181 2483354 805824 1603583 1205324 1483736 986541 1930430 2189512 2189972 1814310 1590554 1586189 1125664 1531219 1130740 1313813 1713948 1341767 1726112 2594260 2170652 1228457 2309969 1022522 1046304 753222 1118091 1073193 880523 1230228 3085523 813451 1561334 771406 2951629 1271961 1754734 1608660 648986 647378 1298983 969606 1350886 1542261 843569 1144827 765590 1047016 1552720 2771803 1580642 2177918 1902425 3069065 1175279 2265190 1139050 1305822 1153654 970437 1654827 3104933 1422109 1222951 1173155 2189856 2993678 2095394 1059197 1186209 3457827 1979129 1338791 982435 1598450 843305 834643 1152325 2132600 1590817 1800173 1061271 821860 1022592 1332068 1467058 1673168 1423532 1536349 2163185 2139646 1576968 1569789 2702662 2769269 731915 3374284 1581058 1483681 2607816 1365161 3624851 1681291 1708052 1120186 1129665 1348717 2440722 1363033 1586688 1303906 2147469 566420 1557526 953660 2105529 2552191 1292760 1731981 1954351 2382255 2149341 2022005 1598678 2125243 1629752 3316695 1624550 950037 979074 5554164 2912855 2154601 1480954 4524740 1636244 1538046 1519380 1439084 1906493 1329642 2907584 3288580 1542261 1119612 3391491 1094998 1862985 1555950 1587019 3013081 2103071 1576608 1077792 1886807 1330547 1776495 1123135 997628 1220825 2540063 1749666 1183421 1548174 2463928 1247197 1426877 1482503 860271 1101341 970717 767309 1891675 1688041 1341514 3255519 1966767 1530352 1616626 4736309 1794083 2527130 882219 (R)-3-hydroxybutyrylcarnitine 2876698 790336 254698 15152466 1611566 446597 559678 675577 959784 200034 563236 135255 588068 1252624 1271218 1065996 294894 1130224 1696549 723621 783522 368826 526114 836107 786270 957437 2114466 656863 271102 709135 2410217 922365 2513574 251404 1602326 3778842 3931984 8789746 1683504 1382783 926205 5283287 2236521 6961999 776792 2618291 1776809 3484883 4016408 345193 194409 1323387 572005 4289344 1215198 6564842 7272777 16884006 16704045 8322024 1911194 1464342 278748 6823191 1371418 1947842 254287 3647394 3907619 145564 756391 957275 5706643 400809 2247506 2648972 717346 2869956 2619981 732667 2635119 1347403 838872 2088229 1347403 6440978 2472037 8958525 (S)-3-hydroxybutyrylcarnitine 400293 463770 391430 509405 605954 806772 701654 440333 699146 359488 705945 649857 307811 393264 1621790 473487 345402 319180 408480 572174 617912 390292 491337 998446 312372 319678 363295 479268 254575 465912 352970 598162 462187 668465 297324 466060 560920 592969 594272 789322 501915 661056 490568 358717 559206 330785 1007397 752484 451236 762707 469004 599948 304733 496281 308960 588508 563493 1452059 581454 568700 401795 527787 492487 503752 437459 585981 335115 589739 698399 591556 496736 453967 447610 599831 223030 257819 665342 443972 364862 647500 358940 589983 681420 248342 247838 620293 1271479 379070 235475 508640 609608 446748 453276 275920 400253 522153 445303 2298488 519812 663732 1004128 800522 180530 373164 213077 231098 348247 436274 677309 55871 36339 121894 632896 316851 174469 421921 1010214 1082845 215680 659827 822242 486481 159330 208143 132492 174875 328943 464991 125616 943042 294590 332302 1332164 1305656 351377 280808 332007 261857 1017231 1278575 825283 180001 614903 294522 274899 265880 331509 182398 333074 1102264 331756 86597 1002110 317464 127963 365438 259817 329978 969815 305570 167822 773216 366979 428545 569017 340026 155529 654971 310140 593240 772412 158519 177617 320053 214897 381113 401275 260702 423687 256298 575857 552660 599282 443972 125733 589098 759014 253574 189479 407815 830737 551902 129996 164549 135985 880377 87129 203067 166824 1-methyl-4-imidazoleacetate 1963433 2488899 2643196 2139117 3554202 2200545 2558976 4625847 3881282 2439600 2669052 1552852 2517988 2160490 2056530 3297698 4873689 3750473 10723440 2203958 1839190 2348109 2303664 4858518 4152502 2949794 3548862 2451819 2774513 2256347 2074426 2410127 6338417 2436209 2894541 4454014 9140174 2348074 4651009 2021848 2444279 1820716 1632220 2779841 1581265 2311804 3220804 2042129 4167270 1565028 4217773 3786285 2686150 2283289 4634441 2434376 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14028206 34043500 135145840 23071764 31899834 47046792 60880040 165765104 170332752 113596568 17901030 36131908 24180218 96667640 62757576 37745224 141523312 37736340 137689888 63954900 59668292 33561368 58263012 44694560 31451146 13587653 89339608 24063944 288868960 46781152 36539152 176462880 186717424 22959796 21682114 14542912 56456072 26072328 265436912 47001840 12356747 75313440 14021886 13938357 42514568 39048356 34016748 291161760 28285002 45484308 20071006 27617616 328022016 21145214 37953680 54547520 110907912 17431546 40258544 12222523 60088852 10897143 151311216 23428366 93082936 13044241 99161248 39716524 26759128 60125708 38749424 16355189 303382368 20610272 128056992 8699171 18543454 27738360 30760834 308468928 3-(cystein-S-yl)acetaminophen 5256435 3114761 5749404 5551250 9049893 13611024 271184 2826098 1182380 2341279 782780 7314423 4499665 2504345 709843 4567194 3438845 5165103 1864868 10968834 23065058 6543813 2006311 910673 3780624 1230556 2178213 1686223 376841 3008660 2662102 186617 1469490 482803 1673898 6012856 6244299 635645 687458 8132537 2703053 1619714 888442 820406 653576 1913928 603850 1982183 264327 3826350 7860023 3-amino-2-piperidone 1344944 925627 1364162 2136279 2009424 1201259 1217253 1064500 854169 1037604 866351 902497 1129751 1161269 798944 1205627 1021605 883839 864746 1242477 1036111 976536 1205404 1181287 1262755 870662 1315553 879828 891179 751194 1204297 1302435 1192249 831285 1728018 1605025 1816282 1029043 960971 804895 1171768 746956 802208 1385975 1035571 1507796 1023362 1408591 1036288 960507 1004105 1666811 747909 950329 1263754 1500845 1529884 850734 1467294 847887 5460385 874681 1093155 587546 1078662 714985 673563 1285646 610203 945025 1339533 1501511 1006227 750233 954578 930504 1088634 1658630 1664562 753313 1041306 913838 1004816 1096187 1195348 1187459 971027 839192 877989 1497206 1047628 648113 1023881 1363529 904240 1061765 1102721 1041447 939152 741891 669218 988220 1670964 1872072 921972 760990 1084318 494831 792282 927461 807148 1437412 1022864 645859 2128159 882718 1175988 953728 750436 539440 1058503 1211961 870349 696038 814146 1011268 657153 881560 769557 944506 726529 712116 719057 471967 1374354 1139577 547868 1243103 587090 574688 603097 1626729 600114 1190653 539124 1735460 1765408 1558778 979162 1227547 708817 1162392 662963 972730 1190884 1419586 1337275 2222651 784439 635995 1746909 759428 1023782 515719 809574 644962 807284 1097573 771151 873824 1051524 1589385 1579106 1000612 1304381 748570 830232 883691 1190314 2270362 991986 691568 832979 845309 1028611 1003405 1073930 807418 555052 1546826 750544 818353 1361598 1418829 727335 942723 1063369 1331832 1435738 3-aminoisobutyrate 34050224 10801064 6129701 13106327 11959410 12254351 30774840 24215012 6499872 20647356 28101032 22542328 11797873 8016826 42867576 6629868 5156900 12697340 26882332 18650768 9133417 17665692 32079238 11103578 4722468 40414468 19393558 19998422 22272632 27172078 35070224 29729942 44753488 19556780 20150302 47444760 28514550 23791522 10642454 8583835 4808001 5907341 18089164 17720608 8984408 26942300 11541410 12399266 3529812 23134522 10545906 16852206 5337391 5548452 14517302 33421950 8317014 12620450 13655291 22675914 23877292 13637771 13562756 12007435 10290545 19519690 7641420 10949454 35195132 34130656 16711875 12904321 8855670 29663240 2773490 19511676 11298029 9046208 9658059 31637364 16911286 31336138 55176056 19777600 28639616 27642634 97767248 38875068 28105440 27865250 5982403 8066594 21348214 19053066 19620458 11792882 30763948 9801851 4751642 38258584 30678330 13144049 27634428 32383094 8393324 41572048 40849704 15289352 33744816 13929079 21483208 15938770 18003252 27287990 15140308 9723895 26342200 64752504 9804763 44855312 24561350 32118480 38051916 11318146 6360510 50485468 42360208 28178684 21900906 59526360 40244912 41848924 80302488 49092788 31763780 50583392 37297048 24414806 25100052 19777600 4449057 8802340 33479562 35602816 15719622 34420500 12043111 12148655 15264684 36359660 20434848 31364408 8603374 10576129 18662376 43827184 12652559 20999124 38558448 17846286 32424332 50183460 18091184 51795708 22232666 44286692 7096963 20039262 39258156 41177880 22640070 12246662 5570814 26297932 4733927 46340808 11143553 4968810 36779948 25102688 19557100 39518356 41274572 18032718 17974250 30268820 70223472 23753314 12542859 4036237 16149435 56689740 7361126 4761526 20707340 61127840 5629933 12202616 34074028 3-formylindole 919882 1162473 941568 1326311 1248223 1424809 919489 1463439 744775 747866 763572 1929441 1130677 1088397 2084380 903894 720217 741367 1405581 1871192 1161107 1473593 743879 1054817 1536032 1016453 1519908 570584 1450249 740019 1253836 1179865 1175448 1177695 855334 1381192 1472161 1103877 1407848 1026486 892144 1049329 966403 1004852 1005499 992844 1275935 1685225 1554280 1279790 1701773 1303363 1000656 1376971 1569547 1812937 1249438 860148 1116990 734920 793303 1285811 1574091 618950 1894353 985425 1526749 1002349 1068707 1406679 838774 828988 1040597 904092 1116003 1051928 1606945 1364587 1063700 1090542 1857792 850998 995439 842794 632156 1176333 713207 883077 1293584 1628739 1016836 1210786 1152828 1610401 1482427 1160235 1182530 1212098 1030642 618305 1589628 1660755 1114948 2235954 2324376 1605787 719573 1693308 2606721 847937 1354558 1379122 2263122 3501863 1167017 1027411 1008373 2073281 1706437 2710735 1224998 721668 1107823 647927 1876263 1087671 1636995 1274555 602739 1162461 968297 918726 2143507 1974134 1400042 1099446 1812924 1297258 878059 1178780 1934543 1290100 2310541 1589026 1418785 1059107 1117155 1451990 1259619 1190052 2419737 942984 1756571 1439046 1199246 2403302 1291341 780238 1178780 1517879 1168388 1835009 1599794 1370187 1304986 2547702 1106685 1566515 1091840 418295 1027516 972108 1225337 1364328 1268630 826863 1854987 1325429 1086301 969620 1300557 606095 982155 1134852 1186378 1720379 322862 731907 1623110 1069179 1268959 510169 968612 1617844 1869008 1049193 2114390 613242 764600 3-hydroxybutyroylglycine 611481 259022 423251 303825 730360 284024 189848 276647 997961 3855805 534052 263884 397004 6110947 383808 321011 174474 419457 337457 593925 207856 1474333 2141690 296298 437332 216275 448396 356895 449798 424992 393687 249786 847875 462699 305103 1852364 488724 1613355 1110042 543495 908516 319017 302403 482098 735527 896319 247590 599247 211615 298015 264581 543595 190235 308891 599247 4769728 1913758 3178279 528137 223085 235715 324310 445646 388642 818150 3217633 2475139 1319605 764632 1760736 4201521 313464 485347 2187683 2812978 540919 2384796 625455 6005112 1912892 2407840 2071932 7077516 7207640 3038872 965483 321499 303939 1626225 1232340 320655 223320 575683 501906 2293967 265719 4730985 10710919 2143198 798148 1046503 489262 1799118 557576 2835302 212098 232162 461067 3850396 481722 544698 1669276 2045377 2295092 258864 4677235 1404596 5123281 929699 604569 321011 326576 1299042 750067 179728 3283333 1909825 1371830 2355198 7537491 312425 252707 293652 534966 2432381 2697015 1239001 299580 1117615 192193 677216 920622 432341 293165 1347060 2777872 527589 201254 1145692 557391 179059 130730 1102305 2695367 1839841 145112 833580 325711 514284 2060006 493740 1764387 2496099 1980966 1449071 320153 232911 895969 867060 2379953 1210134 3218591 2699339 384178 565488 3015716 493470 1070312 2003515 2122709 835912 299606 2643833 2501896 355391 336904 103418 2221904 272482 3-methoxytyrosine 1851737 1003238 854150 972342 1546312 727908 1491799 900153 1080129 1180703 1006167 1232841 1672491 1031880 766069 1230066 1348390 707436 841596 1188077 922128 1449901 692780 1323537 1519913 1393264 1652532 1039315 1279286 1560720 1762707 1220367 809407 1310863 2032603 2284288 1304119 1140667 775286 1152401 1202525 1102222 806941 956014 1422480 989907 1145179 1408877 1034889 1076535 1178006 1136370 1105938 1018768 979081 984343 1281613 819357 820132 1238201 1063995 988684 664774 964409 1351594 637284 1319095 1168763 1256294 1231163 1509764 773198 1324959 570258 843608 1136352 1125740 1661094 1232456 1268491 948032 950005 1280321 1721107 1340637 1254077 3257785 1407228 800888 1021072 1202481 536716 1050486 1171613 1102222 1361408 1916303 1003400 845095 2153283 793729 840569 949357 2207895 842032 1152732 1145931 625370 1226168 1145948 1287819 1193836 963207 780260 1587171 1161739 994526 1068447 1396264 903238 944190 1153987 735205 951199 1029361 1339075 1069268 1273633 1174415 1173191 1001891 839470 1268627 989763 1586287 1705151 723059 922407 851374 1285526 590339 1593311 836883 924206 1371627 942943 800877 1509780 1078978 1452279 904040 1132820 760444 761360 1180280 933038 1076196 1959662 452893 1055859 1113063 669458 723745 2517425 1008289 1091381 1330708 1774447 1224130 1205661 1369640 803927 1251552 807780 731142 1024663 531952 1078599 923568 1154998 819807 1119313 993792 889405 1165534 756705 1192085 1042761 568687 1546122 834785 803722 2035056 1362965 1405719 746759 972596 703072 799475 3-methylcytidine 88160 74257 189946 207824 287465 69968 134799 185359 219290 225165 90877 160538 138280 218051 132575 65625 155675 57036 51898 241528 232374 175915 163075 202559 151554 184705 358000 177834 171907 158835 87468 54880 93250 171478 75919 156242 146081 81840 165706 106586 108190 84655 78297 54925 139267 155005 88814 189567 115283 72759 126039 84841 86994 88834 119066 80711 153653 161392 62691 107925 191338 202651 122811 151986 160544 131198 291627 107641 127889 159785 132948 153034 248205 248840 148207 233672 340103 226475 357315 63679 79395 329933 129866 104497 46309 88911 182973 128318 212067 526204 322335 185875 305309 363417 295219 299114 230824 333951 122263 214989 268624 335251 233216 161668 237518 332663 229838 345033 290795 478525 218311 169199 260274 159921 382562 241104 218492 308955 342690 375443 143881 259400 64460 269884 189807 195221 171907 228215 269437 352918 102176 210825 172336 263681 149857 267796 156472 275048 167236 99994 267304 162252 189103 255934 215893 202645 201116 440849 3-methylhistidine 30337784 16873838 3866786 23403326 19872826 17672222 27070994 18236468 36305704 13979299 17364658 6095440 32977486 22316946 27295874 7540484 17035388 9025937 41513116 9842077 8873231 5118303 9758442 30535226 27133354 31820186 33916200 19532052 17630392 18765040 25330142 20224382 11989279 18265924 11133917 4341854 15943033 52206756 18623256 35911960 77334848 71018336 49794960 200714480 3226611 10369911 7053947 8408143 17535984 39413964 34103012 36200928 19437142 37813624 603328064 47666364 43823744 24169554 15957186 17138486 21798776 25324642 49121856 17617382 25641582 9146315 20819952 25945472 35638656 11543558 21182082 11959605 20697090 8283938 20018546 43533916 68196808 27649094 25510308 41866236 5590328 23367228 9450604 17463350 32134088 27586850 4778270 32360772 18782028 9121987 13751824 13212598 13600053 18503032 14992742 12556663 3613373 24089040 20018546 31360180 47490648 13490029 35279280 37407360 16755058 38649040 10623947 18606100 21154168 19776140 22169042 16740176 15402386 11659303 26915160 23468538 40033920 32810148 28210026 22297390 10373344 14266661 17974740 33258526 27496242 24494004 10669971 20407446 23473618 18803926 17881466 13977013 80589384 4690580 11584722 13241218 19707032 27109752 22595704 94298128 7115180 32290744 40079092 5366908 32474868 23518558 18573644 61031440 66823036 35746516 28777832 19510948 23060462 20018546 33496642 20450408 4865330 29302362 18901588 14731718 16699151 16858142 18627168 15758697 511958 15835135 23789284 20256158 16185633 28006762 4265019 10525026 25561610 35097736 14253599 12900088 39525684 47073028 25850998 21118578 16412985 13227528 30536578 11678709 12925417 16626635 14342323 18877488 25833200 117080304 14777086 22491474 52909048 18858854 23634846 17532276 3039591 30274158 3-ureidopropionate 2141397 1744536 3245457 2914366 3450827 2798866 1881630 2997278 2944365 2141339 3078387 2255156 3690621 3979173 5283458 4938401 3683428 2375978 4212476 7431463 1963759 3069280 1827531 2243517 3132862 3151570 2555808 4237554 4196741 4022013 4066542 3460171 8574666 3371012 6385917 3413516 4375946 3048804 4072829 3316463 3459442 4287592 3265310 2588405 2458016 3682708 2626837 1863761 8596358 2246107 4813021 3191584 2178111 3915159 1824841 2294110 2821676 2204329 2739988 3015615 3688047 3414398 3187218 3702495 3814807 5339435 3515190 2977850 3534474 3748365 2472662 2571291 2012755 1661453 1631503 2293600 3541988 4275677 2603885 2706915 2650996 3435115 3341669 1737682 2683547 3673607 3433596 3068194 2622311 3620003 4892549 2497745 1521341 2582089 2793765 2944199 3565441 2102104 2966090 1957745 3565420 3486589 2960356 6256467 4853247 3321429 5591218 5646582 4431904 7736430 3776751 3627013 6281070 4053200 8296020 4326279 7903095 7162032 4589290 14711907 4165319 4749567 4599286 5121550 4691076 5073450 4427015 6243792 3399174 7323370 2193946 3737063 17512550 7742502 4765000 5192545 5888227 3581653 8589373 3554885 6221620 6501897 5689129 2639277 2498449 3127475 11863544 3335859 5849869 3182054 15497738 7074548 5072554 3695103 3864994 4485261 5011693 3688047 7062198 4140634 3685472 5882299 3697299 4945055 4564869 12136171 3938494 2671236 2746904 3229144 8138670 3238071 4109188 3343359 5232242 3975685 7958870 5010347 4290491 5215862 5635801 3262724 5394007 3484996 3476029 4698447 4916336 2543859 4808905 3954958 4136286 5705003 5088903 4906054 6431419 9528361 3820514 5311843 3793867 4-guanidinobutanoate 2399715 978917 2244373 3027547 5144075 1718620 1186177 2283146 1229748 918232 746838 759492 1075116 1148605 1099040 1606650 1923046 1413725 1899830 2306549 1109008 787041 736454 778369 2504454 1846529 2037862 1276164 907902 1062665 1891866 1169356 2053615 1097977 2049576 2812638 3229552 487888 1431439 704255 877413 1056175 980488 1926220 1136660 673575 1081935 631465 1540652 895455 1794530 1134286 1647608 895596 2312207 3660859 943517 983549 1193643 668119 544189 2052315 1384203 1112696 2169992 376499 3092007 568710 772694 1094847 678778 2129586 774570 661364 2136359 2087889 874372 1390252 1668728 523743 1366848 845800 704056 764862 825417 708852 640006 488908 959556 1920318 1553455 1031045 798219 1627278 2995071 1677404 1672542 489489 582900 547049 627111 1056175 1832787 1006248 1605872 1658580 422850 536423 1021035 1134731 1442984 929235 1025131 906775 3460483 509789 396355 1023421 867146 1162484 546432 754481 440632 416018 830186 2145707 428442 492775 577595 513777 1664901 623185 1580578 590913 1694190 1202903 1038459 1406365 1093264 993512 1964534 2037220 1003128 1640780 560361 1049684 1440528 1328640 824181 379138 1127160 1452748 841051 945509 1542352 1255166 1094206 1231319 1447743 851689 1658143 3059015 1115165 423496 1006707 759446 1183847 670581 656200 588183 1128420 1548184 4883157 561380 660316 639568 745426 740937 711966 2619621 675066 552475 615865 535670 1190671 612040 423317 430705 1427943 1706553 557173 937720 1884876 2369903 550056 818483 3258250 983667 572230 4-hydroxyglutamate 222883 383881 124531 206287 480836 392594 446097 616522 270040 150557 398687 202742 227486 325710 273443 240282 746939 339691 443676 201875 310882 369512 300473 476817 678836 157992 334383 540170 236713 328331 267480 188042 343003 250624 205269 407473 184474 427094 235800 409986 345404 674037 271112 203634 458827 481350 348845 586796 498252 383952 243383 320591 1014881 509246 233194 399140 267941 246994 347984 246703 109897 293894 295511 96171 128736 371776 441513 404037 427626 142316 378727 389848 318545 454818 438236 414625 324762 392609 232799 532926 658001 320835 470762 423708 448619 199184 361091 1261538 110556 358212 182657 364092 552931 237155 342882 487336 548565 351650 573756 121213 127568 479234 313365 221329 248255 261369 487483 138699 312286 88673 481841 280299 391412 305773 193440 203273 616095 313894 219022 237240 310813 289639 450751 878917 226369 259124 324335 238679 171690 293337 238047 234067 935370 499766 217908 280273 495305 414956 313411 421995 319579 385708 522007 330122 220347 495120 274694 318170 254084 262207 271050 280490 91394 358002 220545 286892 393175 616608 272990 268042 427199 318170 296019 270825 648624 568398 153712 566388 382335 234718 153626 414838 267308 241212 245926 228592 197190 578443 206841 327201 429878 281853 309247 4-imidazoleacetate 735531 490694 752977 839497 1046890 557865 1338839 1314318 1221416 1096258 523388 628509 637887 674097 517235 893596 1512960 949979 3430063 721501 467164 557057 1618642 931345 2723791 780565 1054527 796415 1065327 589275 463995 850385 2847215 1085288 411337 1036846 2226358 1545350 2188640 615812 229910 864656 384437 257841 354032 893776 430987 1371252 100155 1331929 610365 1400761 578444 298632 708658 976850 570990 1137625 880695 426411 1648079 1079009 1739074 1454556 1172361 2918841 226184 902855 1364363 269272 976345 1357315 257045 606674 1009664 802343 1817778 297091 563598 527490 350473 335527 544126 771945 538294 677963 528126 757720 788109 932023 458330 248607 655302 759469 699993 2017540 767734 536369 487150 184824 1225050 1406491 1336931 814729 1190045 326467 475869 645975 609022 676723 493767 368763 756628 793868 508219 889833 535281 1126878 463917 240470 548944 1073621 861637 640967 2075139 259514 251536 773736 168910 583998 856986 4048333 470696 456285 620190 451546 679183 1721474 593150 473840 716652 385058 715363 446460 528964 1420881 2408556 685512 699078 1230158 403475 487044 759826 715363 933210 1344481 2606037 1229351 542667 935088 621280 373238 710121 591598 639112 455918 615576 525738 181683 1108170 738202 1274176 912933 413770 716382 892575 270274 441939 333247 299785 1145147 430707 1065697 815363 1244459 1040445 575964 547255 1885082 341022 471732 440422 1471723 1265103 2606853 5-(galactosylhydroxy)-L-lysine 440111 448647 326917 481520 433397 352963 707422 382025 421262 453417 599744 471600 596077 519583 456488 275121 353598 348208 525682 490305 670911 365135 366458 604251 316353 479739 499749 389036 587826 561840 606502 402389 390353 352895 602130 735733 456755 472308 451934 341342 437095 434437 581825 542373 359233 419975 535345 553394 236013 450109 359411 398005 375906 495827 390665 519925 352229 404148 353377 464181 248002 452229 521753 364532 570200 356582 415949 506403 504358 586951 459731 638931 712263 606623 351106 479138 599424 534709 521789 515706 388014 392131 573978 602686 330978 531238 480903 424547 524140 443569 385481 284094 356409 431466 392799 495049 461714 366518 247647 440111 543771 421102 438682 525672 402870 691079 537107 467242 416305 417760 378802 458145 811980 462908 535064 361230 441540 939372 474762 501046 620580 426964 382555 533653 378174 463134 525631 411960 524922 493096 545818 352309 491097 430420 550135 504885 447651 406513 395298 402623 363377 391286 826847 572906 342685 284682 312245 585326 359556 696178 397875 222833 346880 316977 429834 583198 338628 542300 413555 415528 312837 430650 517445 603765 577598 417092 346641 514395 552673 559520 463468 555747 492218 664383 398979 460118 491812 374834 691704 433487 400542 332804 473092 386697 204194 392473 350239 226171 334106 385648 397069 410460 429993 311027 314887 380260 692495 287065 299546 5-hydroxylysine 1472143 1177759 1375121 1453442 1435153 1434372 2110778 1490690 1274769 1610698 1697398 1525124 2083046 2101332 1265689 1324963 1377712 1093657 1922807 1781658 1705184 1344696 1307375 2225088 1356540 1584067 2190115 1321337 2282223 1702689 1814246 1339944 1278797 1211327 1646330 2272918 2088896 1108662 1740352 1491378 1200978 1693623 1784177 2140374 1256326 1660098 1666754 2651643 1320302 1521434 1620122 1962578 1380580 1781844 9783503 1565264 1481606 1293408 1364993 2268783 840747 1630371 1889871 1409078 1850978 1731815 1496981 1586269 2045911 1967630 1573652 3020082 1670559 1185395 1054538 2011141 1625864 1912159 1708251 1609305 1287118 1613816 3251547 1961912 1284569 1683365 1406997 1584682 1827273 4197365 1386445 1252012 1307929 1505735 1842297 1303114 1393401 1812177 1295383 1160858 1088930 1353455 2047594 1761558 2088934 1630924 2114940 1309403 1617216 1818866 1683639 1646779 2152916 1812294 2202228 1581265 1703259 2467470 1481611 1463309 2093126 1940693 1534450 1761055 1529534 1329734 1817716 1419947 2104068 2095692 1558036 1555177 2163421 1475720 1911169 2003834 1994404 1487000 2085952 1353587 1197684 1406646 1698754 2221183 1476637 1878623 2033356 3391867 1943713 2306373 1910442 1580710 1353875 1401679 1480709 1123069 1611510 2741722 1439612 2514141 2904896 2070355 1757022 3011853 1730110 1849899 1775293 1630924 1747729 1900844 1631476 3657495 1804745 1743853 3000253 1874427 1796814 1448651 2221767 2641010 1303726 1284011 2187659 1612123 977185 1369136 1485639 754795 1447257 1585978 1438437 1069783 1752964 4370438 1780247 1507474 2076137 1612913 1350650 5-methylthioadenosine (MTA) 385237 549486 333879 364683 498162 308989 414891 460161 338627 568620 667960 389618 614226 573923 719355 359897 395576 419196 436979 386349 769362 636897 407014 691384 720041 737798 1029272 501476 607778 729088 672652 446477 549923 409809 561456 409436 580472 327682 932515 349216 418171 441065 388853 547136 309432 370964 528527 324847 377677 394607 585668 489605 604972 659374 859447 566784 569308 482455 583224 583340 288963 526478 750034 438153 646135 568844 606515 649909 615322 664364 624581 724331 653904 728424 575576 573420 681292 731668 551966 669635 741979 604922 859411 825153 775191 761164 998311 769999 759879 357868 358933 314634 527293 411858 519332 418482 488072 268588 257784 711649 765033 375874 297408 1654958 714632 950916 142060 628633 222799 521140 846319 155843 1344419 691641 346228 1052338 338235 418490 751061 894985 200186 97609 276246 711650 384687 597916 353189 1087262 537144 682323 632855 974877 1229896 694007 665270 1650570 776563 689307 801381 893759 991230 1343320 1110766 633979 905140 641188 933382 764136 724297 620555 806276 590864 200329 778481 667376 755915 822933 660164 1029333 109246 328334 722942 405785 633049 799605 481587 155607 190058 201545 233643 144823 175982 299374 312100 785203 130159 146462 702888 608878 324877 746649 871834 346064 172786 495644 614379 473775 724525 977455 206337 655304 838969 731771 971676 700229 251242 5-methylthioribose 2945421 2574038 2808842 3361902 3683184 1418307 2462769 1502904 1950533 2284221 2146078 3631340 3205918 2209611 2240084 2247474 3052688 2205881 1967750 2741258 2759989 2582235 1598360 3030598 2491640 2156697 2688345 2631376 3238672 2869828 2662941 3248869 2974658 2797302 5394211 2606763 2856911 3254951 2936953 2803274 2840308 3273127 2688703 3241461 3779129 2994003 2840567 4414892 2486861 2740960 2620715 2757917 1636169 4063887 2786988 2872295 2552805 2025004 3348936 2183160 3217890 2078256 3467568 1718463 2692614 1537395 2699079 3126102 2644595 1884496 2960604 2291716 2922751 2896012 1846636 2239429 2942036 3190550 2739075 3598926 3823718 2881222 2062155 2740960 3050455 3088819 4014710 2425290 2955051 1820545 2130116 2178872 2786297 2715208 2363774 2269404 3699623 2528497 2031465 3930283 3076072 2922911 2225173 3434219 2771474 2600281 3074921 2183539 2694979 2392456 2996348 4459571 3115249 2162284 3730703 4282885 2100302 3257692 2628850 4238575 3425276 3150939 2740662 4354731 3137658 2864847 3256752 2696821 3009127 3770875 2511214 3742362 3466272 2430694 4191060 2079251 2803293 3140109 2349921 3114832 3485413 3251478 4265447 3746281 5330371 3387743 2654577 2646381 2709673 2632241 2679779 1739244 1953707 3674806 2560482 3698845 3814452 4527472 1838616 2468075 2490430 1316327 3349286 2924947 4849603 2834856 2727117 3612528 2472565 2962186 2388429 2560297 1975685 2500988 2598109 2701103 2442986 3627580 3186228 2781183 4397794 2710871 2447190 2485062 2637718 2246898 2471710 2695858 1852517 3153972 2250066 3062052 2491709 2127966 2463395 1305194 2599205 1618364 3153512 7-methylguanine 2767759 2773189 3131476 4089842 4287499 3939540 3170680 3868173 2290440 2578356 3951043 2414346 3834319 3095403 4738493 2640002 3678887 2521929 3430561 2837951 3270561 2779327 2488921 3628670 4064289 3560406 3633853 3949660 4261323 2974701 3521545 4082458 3240781 2113886 4540416 4080913 4181211 3510389 3393761 2929107 3324123 2844340 2862057 3692773 2353859 2751735 3010676 3186365 2261202 2659034 2929466 3147390 3321048 3603554 3164261 2856720 3302454 2794246 2985112 3062133 2983085 3209535 3186655 2945136 2950685 2811768 2825454 3986777 4349652 3099540 3020183 3972733 3184335 2425126 2708298 3573107 4284466 3777298 2848160 3380554 2641171 3260713 3975638 3984638 3906346 3905939 5131829 3519990 3868282 2254517 2739458 2388108 2681566 3398986 2903184 2708431 3720208 2703002 2342738 3928599 4264202 3645213 3590418 6302328 3510645 4795798 4517182 4017766 3689519 4642905 3952796 3833382 7397479 3611137 4119760 5293601 4238306 4842349 4253978 4941573 4267778 2890630 3846029 5732510 3728931 3557528 3912041 4218126 5573629 6145826 3226907 5640932 6537566 4709724 4593660 4898672 4412391 3386730 4345088 4895277 4142207 3312753 6169344 4501317 4031969 3516832 5682853 4815663 4205498 3952723 6772837 3616690 4929860 3165910 3907740 5816849 3291097 4209889 3511782 3460459 3376102 4048180 3237188 4585491 4663121 3399297 4902867 3882457 3638671 3528785 3392128 3697610 2667781 3486230 4585425 3269775 4397683 4360442 4604942 3517434 3603554 3539189 3141801 3840045 4165808 3581149 3405021 2492949 3440876 4436471 4198977 4734245 2792635 4152666 3955992 5468664 3375681 3797769 2904650 acetylcarnitine (C2) 98845176 153774448 100371984 83776576 156617968 272755648 101884624 111136032 101140320 147385920 142396672 101756792 148808640 436145824 90113592 125086608 94978928 122076384 134922608 197666176 72680672 136704096 181721552 67105204 70864320 86660856 64673112 95025432 128185736 75043768 154377680 159005744 139050512 80805728 101459840 121562376 182070048 160191696 230623280 175760640 183677552 157498448 101227104 133390216 103105496 253247952 203462656 92973224 230640448 142159344 127091272 118896656 185232576 169465040 163901376 204243664 244457040 151319568 106416768 79889624 188665056 134982400 130234104 88009736 72503000 183471376 162729952 119540624 118394688 127535992 122871752 142108640 85262304 90946872 162677568 92971688 99117000 176890272 118525480 163467744 203650544 98879440 137815056 146911984 260391456 146975664 91934360 118666392 147520576 68102752 117893368 89274296 122236128 94047824 102915496 432494016 120415776 120531864 265323728 162991360 60777676 119903872 71682264 21112056 115533240 114224568 185157648 10624471 19092028 32268020 142851280 55110968 45874328 127644864 265959552 248890416 61671196 159148208 194272752 87003392 58245864 60266228 33712892 40782220 78457592 68692064 45022128 169142288 67117416 98378472 274633216 227785264 114136288 73089016 117514728 153773280 285867648 232343184 287206336 58813900 155978304 120539176 94010336 78151752 110985568 76439072 90274528 277556000 74240392 44382980 203920768 118394688 68554416 91407960 110136336 98883816 262693408 68681640 58038028 274239584 116793192 66760384 138913552 78292760 49555480 141173552 90269624 133547392 196750512 65599388 54693956 118122968 50417296 86623560 129276232 47597836 120044784 98805552 151383728 179811776 110264544 94864952 42021112 121330432 173629312 84888832 60332104 128268936 295813472 136596624 86797520 55521532 56084520 286728864 47308476 107959008 95355976 adenine 148713 387056 433455 622973 515679 365428 199823 389565 212811 698017 472761 391886 700283 750887 485900 367600 616405 503622 406520 342798 459123 923788 353810 554240 852249 795560 831861 357435 618279 606892 646161 295950 631247 379045 904161 416274 488578 557291 599249 381173 411969 515486 456257 533766 395519 488237 443908 304965 419544 483980 269030 394257 413125 607891 863483 495009 440350 328034 407121 333640 418144 228219 426475 363451 493819 412392 671749 547887 627886 510959 809980 626206 511284 422235 493343 538591 506557 822108 603058 626408 1291665 506086 878102 1052053 857807 955801 1073920 772857 1192295 295681 239517 639900 512171 856165 599964 447889 311029 166668 387492 581760 799948 402136 931465 1639671 703019 612521 897031 507393 698344 1949711 1257807 784161 2925541 699678 1821229 899299 1000732 1831647 794057 867179 866380 721939 1011893 1112350 1042832 837041 864896 492863 1177474 1101679 807438 993854 667143 870002 1290318 522966 1180199 1273009 603032 957778 860881 1182788 1657695 960851 909177 888689 1131518 1161699 1076446 450134 861628 581970 601014 635296 701565 922405 877104 1518861 521139 650724 655287 1065733 1100261 1812680 979114 1061930 845019 1077015 514204 818824 601215 1102314 681607 659870 643314 832940 1193304 567839 1013938 829711 2206944 794332 1592966 771141 1036209 385622 1079717 529768 984277 416358 589294 1079505 851368 688379 650724 964981 953280 1031431 1025170 adenosine 5'-monophosphate (AMP) 36248 49779 47105 122875 26830 46872 54429 88442 76751 92190 69688 82220 58576 51070 33784 33765 63432 45813 39882 111703 53023 88531 99465 73388 63041 73935 68369 67416 66925 66706 41654 48499 58560 77078 56848 100310 36358 33125 79451 50621 67470 83681 96525 74208 44438 60656 40826 34289 59398 31984 97297 60126 42509 99808 34880 69892 97844 72538 80707 46518 86824 62101 48476 77971 57959 68032 36805 81363 46945 76823 121906 66925 69637 85359 50755 51205 133641 112553 77339 112098 100558 96898 77541 59482 119033 94392 43707 84175 66285 71733 70531 34563 105324 63290 84895 82310 77656 122347 118973 54418 126669 80423 66925 62412 66249 85834 47802 48230 71061 87115 74356 89147 66297 70232 54837 78371 106867 49866 75931 99023 77039 64661 83808 43417 124553 71040 39333 64471 84369 52184 99821 59382 48714 93421 88712 75151 73698 36870 67868 75288 92652 58361 47345 79871 87259 38579 57614 46131 38508 70274 43867 70410 85830 65224 87447 87072 72424 50085 39157 59147 49908 53998 38822 53270 73577 62122 51495 61788 48199 87788 81078 66476 65133 51957 62117 55704 68433 66682 64609 53813 92914 34885 50915 adipoylcarnitine (C6-DC) 216536 350407 120575 249520 184683 846991 172131 270260 103368 189786 307641 75413 229221 144143 811856 107886 110380 94704 255889 194047 989310 47968 275002 529327 74360 126908 26175 162875 208278 146968 373207 156108 321067 230409 373289 96954 272845 101234 295773 250190 276233 411438 147941 122891 67659 1079926 122996 37817 304243 175648 105847 111369 258511 625236 184636 218717 401991 173801 132244 142129 87534 65931 118596 150927 270260 375418 273958 586205 154342 216105 139295 134551 95271 162347 253953 192720 163091 158247 369161 174525 243763 203018 338092 433190 318289 278851 150573 128902 372010 82060 152504 354828 270139 141603 170000 184348 262162 1288729 1204577 370542 897264 427222 694123 453646 822834 1433117 140218 175684 127498 1093972 1259316 207961 187845 427999 1654016 487950 1071950 1175997 233192 572740 787761 149442 192264 725730 944345 222032 862758 300156 742284 591036 1347369 193811 332313 267142 469521 478471 2267803 2735474 423898 3152805 649173 558991 104946 1704710 178077 309913 950714 360284 164246 494785 265988 371775 1214656 338138 287459 924272 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733563200 822078656 746333696 634815424 1178038528 994157696 807122368 896467200 912638080 742808192 782246528 656560064 728696384 708924544 672902912 888917504 614357056 600185792 925227584 1379303040 945195456 477573536 659771136 1208929024 756973952 894231168 1148319488 580794304 748454144 697425664 685110336 678689280 827792000 583145984 696293440 414987328 532048576 534513472 751368320 737488320 792583040 707338752 745392896 958428480 1012439296 424463232 740651968 842429120 662659200 501443680 838172928 673071168 770897728 680314880 735682816 765158848 692472320 781421312 839696448 587961920 665956992 644133888 474469472 356555328 941970304 699491520 596838912 594555904 464796704 472950496 443897728 975243840 645756736 673610688 571509888 747467712 678163328 740589760 588443904 522809472 857774848 1037978816 569950976 424986528 906037184 910288128 788601920 715542592 527124032 405153696 811537536 743259136 912562176 621659584 508144800 739145920 748454144 629439616 647356032 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20101504 42668220 21283004 20791376 19866884 18800568 17575880 24527920 32015808 23913412 57824892 20493496 27075884 48956220 28711796 30999704 61640876 18519236 33006024 37584464 21140126 28096926 54011264 41623160 31509646 29841342 66166948 28981668 19921998 31209606 33603656 40008236 49988296 30880766 26377864 13516836 51981696 50713760 41739704 14362819 30027488 28399062 49829204 30625484 16794410 22948034 27126702 49209556 38050188 34772996 30684104 26949938 56402768 29561766 44339036 70239968 22737032 25970158 31129288 25968090 26560942 14618806 26326266 16546843 24397230 37071388 23766834 35612164 34103104 38625988 39437928 37037272 30498218 26968834 35853008 dimethyl sulfone 525076 121705 710247 174745 190318 126068 1218300 192898 465680 182761 422791 598612 279743 312181 324219 489038 186144 477537 268637 141506 469139 123909 286679 237610 155457 293022 447014 383473 250976 246445 139012 859448 127622 432022 233908 277347 247987 708601 255082 477626 201750 282988 257360 146532 183921 168088 185081 174151 124308 252813 189570 101908 231523 167024 134040 319969 146971 137341 244513 159753 331492 154622 165794 165497 308966 127149 140539 138208 242239 211200 73555 78418 62532 142723 718338 707045 305012 340293 299148 206315 107666 806510 222658 157132 139580 116125 115602 109580 590826 233987 138388 219532 222390 296765 103423 268814 206689 120978 115563 340055 94460 198436 132989 167956 143320 753189 150401 76276 92165 146275 140319 65708 143726 85749 218277 144581 225795 106557 141663 60401 101773 131799 104686 102190 155410 110155 114811 148506 261118 77830 68104 126618 193691 dimethylarginine (SDMA + ADMA) 42300164 35134224 53895324 57545332 77562648 41641740 50648896 49764464 47925968 48187716 55255640 50548584 54904352 57188928 51125580 44346004 49779740 36481604 50595684 55336496 48548860 42591604 47193384 54542836 56022964 59011224 55695356 47575440 44032764 44486952 48345884 53593520 41075532 38790876 63969916 70326760 65138984 47010068 46201056 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3271045 1615829 3775165 2158985 2386396 1815211 2525747 1462091 1769531 3025259 3055743 6123180 4121155 4798444 1256706 3662966 5938692 2277792 2950728 1650905 2182972 2648477 1819711 1529616 2085672 1281969 3311476 2288821 1893237 3905514 1272682 4057716 1860837 3413763 3511391 2845563 3054725 7526505 1342876 3812086 3550596 1234694 5137781 6366071 1117042 2470199 1592867 2938431 2555446 8134044 2172953 4790902 4755768 4402700 2736637 3395202 2276671 3176477 8025755 5817554 1798133 1702988 1153556 5944894 9908671 4305879 1608734 3752511 3459361 5491685 1136890 3067294 1871857 1373448 1475900 2967255 965370 4810206 2551770 2529697 3364205 4704824 3519847 3218127 1051607 1231783 3144135 5509605 2350296 2786059 1248716 1116376 1148097 2594741 507925 3322141 2357159 1858170 1502134 2147127 1228427 1174197 formiminoglutamate 298592 706488 150383 342522 410628 426899 105461 263855 76201 251910 268958 66270 187251 623980 3060440 102432 493385 131927 236622 1077373 423613 109065 214545 196703 297862 349169 474460 375376 201732 152063 202315 277178 251596 214387 203490 481185 428949 190760 495041 113160 150395 147733 122570 517901 153444 198599 359235 355662 254179 283530 314875 192885 295645 200085 821498 246765 234026 251264 154065 280397 75814 269474 216104 208102 384047 170537 236485 149826 414973 471185 183847 149431 165070 106218 171254 144456 190807 228645 425708 139195 244030 625222 214536 367445 239479 235651 74332 157190 173854 284802 368747 199019 107729 271060 120787 303396 199280 96845 1028903 1025027 379142 239520 3198009 766851 1056147 1949108 1395415 2435751 312322 576252 897299 10672352 867607 292988 1719494 2621549 4268887 1279652 1648507 1526493 1734937 2689034 1287150 1463297 1005814 2011191 9651998 202498 1950851 673103 1368099 14506181 3491997 387169 370431 2112110 993945 2941597 1623637 651759 644008 1374740 1142974 743069 2025641 745983 367693 3775767 892754 1426023 71225 5881823 200474 566410 320624 598646 582796 795134 1682633 260359 614756 1530417 10684981 1274963 3121663 207680 549342 342295 2197560 13316287 453845 532105 1323038 1026816 1714297 1594006 613030 1007178 1995405 4511665 374197 7989751 532829 262629 234792 1365120 425718 299910 1081262 60576 775128 228094 836024 289633 365946 235389 1293889 gamma-glutamyl-2-aminobutyrate 224820 203761 118136 247426 55061 199519 380624 26348 65320 140757 155181 56657 53827 152723 197032 239278 241977 169824 161761 126357 157355 95419 137764 115931 108736 226540 357654 130959 279398 141768 54310 65692 146650 314853 56374 104706 271436 52739 276399 353617 209134 316821 193751 275069 127576 367403 289543 130543 247691 196794 170157 156307 152143 58506 70543 70735 127157 102047 379802 46202 207280 278323 43352 210206 76455 165216 210864 55911 56328 48967 272613 388128 98142 167806 230052 165685 73978 193296 77263 94021 125286 207312 384551 244679 166256 261583 213914 231780 69410 307401 56750 124241 151872 54396 504064 169646 105699 141992 180126 188030 257109 218114 157213 42948 421545 123966 119882 95435 42429 144285 183631 181758 232836 705863 288631 140873 349145 191858 157518 106095 405794 90999 615161 99093 327313 355176 258247 284848 262757 114021 337897 174345 117392 53079 934860 220176 117440 246252 189693 175877 217908 167431 302577 189701 279752 275073 150018 326782 251929 186367 91981 123413 227423 427815 211916 81101 167056 85816 83143 131460 267080 146340 36064 104444 184122 204096 78072 50991 gamma-glutamyl-alpha-lysine 539498 673250 618640 1172113 1104959 355067 1104464 496896 423590 837902 692168 584219 1077637 1446015 553818 382950 769969 470192 1015125 1078549 538253 767263 879274 1124854 1001131 760605 1191705 758554 924786 615763 1114695 1056401 633202 919848 1105570 1005892 698977 929244 279568 755505 1092178 567803 1089239 932513 929486 1033181 673767 876598 719762 903918 1225240 1242053 639913 1137086 2263953 825447 886695 404974 1199567 744027 610146 730828 904772 512755 1184131 822675 573969 907378 1175328 952135 850569 668814 676885 467339 348040 507554 697317 1543859 1055306 1055620 906924 778573 767663 778301 771816 736478 812369 890312 700637 1180190 424506 542740 822429 850442 502973 762464 801368 511487 769027 429509 495767 659845 1177374 766905 484367 781290 315283 369204 617359 564904 876699 465411 718475 247712 1034057 466936 1202262 1039900 492006 439862 654878 642887 474830 630547 545550 534672 535019 357346 639355 316896 589759 457599 549257 854855 1304921 477279 754413 934107 397297 485520 310586 219722 515086 717339 366353 1108360 853965 1218762 677451 503282 596199 742421 360583 422107 820585 1018099 526210 1261723 434058 355277 1050705 718944 488543 374833 416516 411726 758879 708926 559699 486766 496385 707536 1066871 543247 904431 573882 385889 775875 746916 1931874 525749 459455 283142 409959 562980 628414 309571 365768 290795 1031940 393306 555906 819390 764746 542942 432521 693964 645969 424721 gamma-glutamyl-epsilon-lysine 641376 561041 373850 482119 369148 234145 532038 415266 447516 307385 307094 606483 343499 320265 167960 292263 413404 410740 378989 438442 512753 702734 492677 424263 315759 292097 351596 267567 370742 697403 810603 400909 692818 408374 330862 594524 413186 363527 127972 628194 421194 337455 471803 775117 808814 857054 624987 810184 407843 573269 748706 1109752 272907 563233 1711130 618593 357711 429058 613698 465293 596709 290569 396782 203506 383852 714515 228264 395660 340680 499768 509399 417411 266153 416758 119227 378959 396994 858072 838468 526636 552853 303652 332160 365861 264171 253995 610923 325486 254939 631753 193815 442016 406753 289167 357711 771588 667238 569152 467359 147859 215770 452078 365671 210948 264205 309873 190607 216679 186801 242468 305399 469827 439005 145117 269490 227886 362634 363119 238064 115617 262721 272696 107073 454690 189426 281023 211444 206455 268181 192510 280991 208674 352140 347483 687013 350262 662605 404825 277361 146467 211629 263327 174308 349028 436836 357711 375513 367392 247823 236673 264878 749366 117262 457599 701305 343421 242055 1033620 457709 304336 978424 302287 419186 251633 384770 255712 329511 399264 210122 284032 505697 651157 843298 167263 314994 389765 299231 244305 755679 343672 238010 156986 228182 288627 312547 204369 254886 92948 319968 360324 184072 174939 293381 305352 93330 178552 455769 328402 gamma-glutamylalanine 2368044 1536688 1721844 3334921 2052732 1486661 3240973 2590191 1585449 1231166 1934385 1488060 2977014 1619858 780710 2831528 2144511 2420357 2123574 2624246 1375715 1928248 617903 1738538 2266933 1560258 2217616 2506419 2062204 2408867 3144622 2207619 1286442 2332213 2680147 1542300 4098228 2619831 1736799 1729262 1351131 1539258 1143081 551070 1547911 1637480 1533366 2186091 1097242 1529007 1969203 2984295 3340414 2790494 2054826 2019319 2849599 1157446 2168459 1549576 2492634 2521205 2857778 2026468 1646484 1548230 1921674 1800776 1813164 1942131 1426111 2528466 2262806 1369623 3464883 2232859 2366498 2824790 2368000 1679324 1152121 1841392 1220371 1542300 1751793 2643091 1477744 1581383 2387698 4007698 2049688 963999 1128414 2130811 962296 2559133 3718539 1824574 2305655 1679603 1376085 1121276 696689 1105387 1863066 1884189 367078 1231427 365035 1051113 1724711 639423 1210826 1702485 1132882 1198986 854664 844510 1794220 984349 466196 190008 585796 2428872 984570 1997137 553910 315419 2422145 429969 1306402 1023494 564851 776981 1499653 1891305 1006258 976594 794866 719764 773992 1466463 1323571 839708 1072454 1104319 1283329 2763108 666299 351673 1794911 2839301 1241055 540182 866085 4569011 2217840 671869 801535 834232 1508311 858318 415038 881457 1320661 669079 2161854 1262903 1187552 438555 402658 742990 626080 479413 941825 625609 374680 2121715 992468 740804 454092 1696583 394166 1781353 1875689 1750349 470365 1116227 626172 4072424 918073 576562 949712 2105916 4147207 532896 1343671 925956 1676780 gamma-glutamylcitrulline 1061931 1160903 1174063 2534747 1220718 1987750 920345 646707 622874 1711559 1494813 1203600 864470 1564932 708369 826449 1435706 604205 778140 1791119 741682 911822 782991 1336099 913465 929513 1068889 998346 994619 1371602 2332244 1102126 1361543 1231010 1708373 1046499 2247118 1431748 923723 779589 1366164 851632 914234 356640 1029145 1504260 750031 1106375 1502114 853649 997201 1547668 1408246 2043501 1947803 2733091 2475588 1451875 1820675 943027 1704271 921705 2005047 567032 1650591 272613 1018195 1653086 631684 755654 1807003 1412507 1540861 785478 1757267 1079201 1423663 2598322 2556910 1209031 1287666 1188897 1136757 1948653 1447953 1644647 892859 1059204 1624171 820137 1258339 747220 1919337 1349240 338136 599042 916780 1403071 721348 512931 1169368 746399 678708 787721 1242592 1229385 49415 468023 800909 1500092 385734 172178 1110060 553717 76508 213431 676870 919326 114177 1469275 113975 1453710 1048450 911060 679863 383857 193121 1274269 524515 690380 622377 281920 557821 608754 469342 380353 742864 614414 2452286 1000428 1387761 641980 44124 381125 721570 478506 757549 260353 3220270 961962 512418 870172 599434 1331447 821683 87018 47532 549172 861448 1249748 543830 78360 502145 335377 330382 149984 42216 1259624 529724 468725 697275 40606 1216143 1032338 670584 64133 466111 251018 1240447 373492 1467265 727805 1236389 890533 457748 1659642 637466 303737 gamma-glutamylglutamate 794694 825422 1255796 1776375 1543767 1740022 1379632 1531607 1457156 846689 661486 724420 499390 831816 466474 673749 1613206 393512 830405 1260177 464771 568209 644301 1251917 596259 639742 1093665 1108147 410907 779604 560898 1885166 1627787 1034022 561445 1354533 1543174 1636154 548298 924190 501168 692606 758021 166955 875880 1977760 1262503 756638 1293552 1097281 1969743 1167938 611167 1531406 497748 921747 1297406 506800 911077 552607 1543255 1125775 717290 526397 1370633 1065553 489084 1261002 683636 851266 442201 433368 787809 627422 1145200 652948 1291095 1282218 804457 808216 730658 819307 1220715 427525 669137 668316 462403 450395 545843 2117089 1805812 552759 913329 1403911 370518 781182 2259161 1553568 1808738 511089 1104561 428165 295319 354009 146335 299167 168054 383578 297378 639742 210529 690641 296866 374794 284471 360783 451806 613244 315654 1087271 299036 506003 273113 334029 211711 234990 137226 430849 258921 136627 428834 871394 253048 475090 859590 166703 517442 309503 207033 684659 735000 289839 177075 495915 1395209 711825 253328 900179 148706 237903 163459 298201 107831 365507 654258 409862 243724 347630 732320 684230 145455 1097490 368920 342543 902839 348139 235639 214199 254016 317020 435132 1808240 474581 2262576 384056 457260 949580 477360 255195 288293 927954 286949 418343 gamma-glutamylglutamine 47030984 42298144 39805932 60402012 35750888 37504652 53623420 32787442 33370826 42995364 44243492 36920092 48361180 50355212 26743904 48643132 39096028 38764964 44138208 43881404 31362334 38948704 31112086 51790200 51610176 35259296 49591700 45840000 45696352 41413348 54174844 43731528 31631914 49879860 55531432 50225388 43401284 51228460 25745382 38190092 45623560 27157304 37692404 13087573 37091164 58959400 41095428 47255268 32032548 38647272 37249804 51488104 54613616 58383764 53665216 49012764 63583108 37116188 62644108 49451224 47203532 41554208 51940796 30265868 43136624 31531912 41625124 67757568 40235220 42040784 38477528 52867740 53629052 32819700 54035752 42418556 55482772 67853696 56763252 48745140 29783906 59346716 40095780 46012768 48254272 56031440 48494108 42527140 43534544 64304232 40635036 33217338 40808988 34950596 19345420 43986720 59308912 45558200 35102292 39834900 42982920 29082644 18558574 40073504 39429128 38477528 10282552 23057122 8034982 31013492 43344312 12546950 35348596 29793500 33919476 43384304 17538516 19575352 35159284 21715192 15805998 7520778 9723681 69762648 15806993 48347104 12386162 6714148 46225208 9732928 37589420 23782254 33431696 27207258 55148544 30030706 25259322 39087748 23167888 36986480 24582682 26053012 31449806 20920952 33451820 52909584 30147974 48641892 18967216 12245894 42302004 44091456 34258288 26619840 19299208 77761040 46037832 22341364 33671864 34375884 44048284 28319194 11292891 19068556 30823310 10404060 37971072 47967444 40492912 12026749 12025242 23237466 18340536 8230111 22063428 13478665 9545024 40901524 20624470 21779762 9669432 43787580 7856985 40779496 44624372 45790896 8909829 25258946 16291157 51153996 36286684 35894000 25826840 51185324 42348660 21888672 31814660 30733526 16522067 gamma-glutamylglycine 3684786 3682589 5177449 7427346 7717367 2373813 4897348 3620006 3341264 4885098 3515492 5176354 5684322 4434658 1099740 4108140 2961674 3711511 4530524 5835107 3230838 4329207 3164539 4356642 3783988 3476859 5224702 5604383 3734376 3088247 4329741 5205259 3547466 4302724 6575316 4467840 5752277 2976399 5529371 3065495 3970303 3380955 4826716 4469855 3955441 3420646 3043441 3078438 4402822 3243440 4487948 4663488 4542897 4840814 6630449 5213856 3754415 2467159 6281444 4074706 6555292 4331483 4414102 2065031 3441488 2552977 3959697 4284570 4288546 3683860 4137393 5199609 5060575 3615151 3533463 4542685 4792105 7431556 5727383 2782853 4237089 3298335 2525977 3645623 4055271 4337821 4179582 4464171 3805424 6968866 3107648 1828902 3467541 6326570 2307829 3993430 4598808 2607607 2996707 2700933 2583134 1859507 4601236 3127197 1867861 2346973 2552388 1210562 2364785 2648071 2747164 3433143 2141471 1359807 7248574 1803863 3086306 3459693 2333399 1383916 3335587 2939912 3172270 3192767 2627614 3212960 2713407 2139897 4291918 1774978 2612155 1937785 1555234 1666139 4089627 2108663 1584378 2990678 1101387 1862916 803239 3011111 2048937 3471938 1598573 2929926 2500841 4376518 2790139 2236685 1709643 3223944 1363881 1774526 3735933 5430526 3008393 3962408 1365234 1561910 4787112 1982739 1941190 2189231 1250442 1898669 2677215 2686610 3015771 2895093 2484789 5630748 3621869 2763413 4536485 3212508 2103816 4442503 4307140 5027569 2199954 3248707 2065294 1656311 3784924 2859371 2647769 2390444 944982 5232551 1228978 2247025 5824719 4914039 3380955 1646055 4298630 2652745 2582325 gamma-glutamylhistidine 568606 365498 624656 817281 802373 467896 888142 522099 629453 604421 504756 483862 659664 840578 359917 556404 575848 639661 813961 776344 473980 557380 564031 631882 548182 609647 856360 900128 594775 573180 696258 650278 687288 552673 736677 903600 732200 664485 875188 609117 784853 549661 671946 694319 524830 583157 665418 587058 575801 756363 709907 715608 710809 743843 821826 855945 757874 372545 754692 614179 1462272 589547 608851 328988 729248 327536 543848 606683 784714 468766 648181 679903 644416 601114 580381 668607 702711 910397 779937 750889 628500 499317 565479 604298 601201 574160 683181 592968 640339 703332 431196 466597 469737 592666 493949 646734 764175 507966 523237 350300 372388 381006 621852 665302 474676 634687 346755 396925 521560 440851 533254 407392 745016 429376 863894 381931 689109 758736 432784 363035 429381 386795 442065 609128 455133 720628 534128 446317 508635 440828 476372 452556 573183 497446 775960 356671 477944 582039 296407 528721 317948 399135 476784 623190 304930 476129 406389 597017 506737 494392 412170 342291 484534 353235 611766 1212102 474697 771396 328236 480000 604742 504154 480684 544592 402534 433716 526758 568606 513951 405566 716595 722643 660952 581968 533166 364023 433560 561817 788245 813377 462548 454045 276053 304240 455091 512852 365049 262482 328288 741714 245737 387063 745592 586555 507951 276984 652254 473043 538252 gamma-glutamylisoleucine 377144 437249 313329 734352 565052 530035 402797 497969 300124 297723 303891 335911 389704 427967 719599 282175 427559 223969 416659 646456 357756 241238 318909 479215 448274 464413 758009 342452 355550 300086 360922 511698 190118 278269 497643 472599 729147 255294 341407 324479 341155 333916 344256 496149 396761 308340 310639 350019 326788 449379 516784 478142 365448 373950 687184 453035 305528 312680 330440 183524 380502 274602 278671 199536 442752 134974 375081 348383 423406 451682 396015 288355 347639 349186 416387 378412 339931 398967 508343 343077 361711 360386 289293 392658 335697 348785 395455 299898 493602 551734 253146 284955 362396 370682 256048 378370 495878 238362 370464 267407 511196 301014 683629 519962 234252 335704 271346 238878 593619 137443 213214 377493 485428 125524 656495 202102 545880 801014 180972 311383 541025 277101 286285 181810 383278 586480 415768 259508 167950 381053 154605 218803 349268 588004 195683 259302 303481 357717 364613 263751 488944 273924 394453 258927 158216 395529 237610 395482 162839 386364 183087 287649 211370 301571 400545 499539 254712 517106 501490 186650 194896 587965 251281 292935 236960 313426 237657 207779 143941 253502 546601 356879 472219 388056 383299 349974 427108 239581 426909 546068 518507 210163 184977 339963 308597 177823 266401 138925 139659 534414 202751 388613 313858 424037 177878 513626 366765 298273 181647 gamma-glutamylleucine 584592 887458 741518 1250485 942862 1042369 787354 1029028 638111 631029 644195 600279 851312 966912 1408920 613315 962608 664078 785873 1445763 555667 490995 668735 850362 708487 717126 1321315 1053984 548028 562983 619341 915119 375363 499029 741081 1302928 1019541 512850 1120878 479053 634748 561356 771476 785564 601717 695343 752198 886250 361289 1058289 814741 678115 845453 732653 1687511 905850 703994 548126 653681 475145 452777 740886 602405 604587 1378181 332863 705967 598308 688833 837651 863790 996292 653943 568946 719646 735350 612965 957115 785719 618439 785719 596512 500684 696275 635477 629633 601129 595561 1098791 999640 562927 589012 569172 713651 631079 748147 961383 465886 627592 758826 1371676 949902 977668 2049424 864160 1478910 771065 1030805 1736841 726391 1094227 909317 2267060 703560 1255228 1019381 1740273 2967150 670780 966096 1458827 1052186 692112 1127515 1069208 904774 1304319 876449 1003366 1174557 519891 774330 1428953 2213029 904181 500837 1031313 956755 935474 1403048 1163450 577888 1208140 921087 467850 1099637 708308 737639 735264 1289137 799035 407959 1551191 604791 915960 1406824 619116 1283180 1030775 717632 534882 1322332 973235 1293063 865739 1423367 648973 1163801 622766 812027 2756435 1076976 1344103 1279151 1086826 887539 1313006 714847 1591991 1199657 1251369 591751 597249 800009 551640 735585 636543 257018 550291 987121 803793 486456 1030935 722239 698338 825502 724667 503099 787714 gamma-glutamylmethionine 964287 973120 1059834 1559729 1266707 479905 1115744 1071071 794003 883311 838593 705282 1129665 1423775 240311 1018851 974874 890959 1173417 1573219 494418 824855 730908 977660 879373 867253 1573783 1052656 783735 907863 930045 1083285 980877 1140862 1443328 1400846 1410600 1087475 750542 771471 882726 916199 954307 514881 594205 1233186 827400 874389 971782 1093780 1795690 1186348 1686138 1751916 2556267 1589500 1349517 686052 1192466 988387 788869 943185 1134508 406234 1084242 561637 1237698 1075379 923685 1120821 1077822 1378967 1106342 824459 1032258 980093 1268142 1971648 1471693 1260756 1229515 957304 946763 1268737 945772 1163874 757966 925433 1126528 1575445 859803 645285 936504 909367 631126 870498 1247609 1053878 932103 428249 491194 502836 738293 717615 449076 788869 157061 343295 233004 485128 661561 204161 459877 274793 1170186 314128 506363 673314 522352 304953 306622 134325 275812 936997 429899 829347 242056 134734 617453 65536 584878 348230 323470 351015 1589840 767969 846696 742408 159440 431704 267903 557042 361622 702221 297877 1028824 553622 940911 611247 154318 615069 852793 485263 443621 500782 1624454 587758 545890 338036 332468 941629 573409 272340 297164 372233 198328 1258554 629167 506466 179937 332061 664956 518977 249923 407963 273290 267832 1039129 495662 716746 308458 508687 184213 534267 827431 652981 205499 574899 278333 1274613 426678 564603 721106 843954 994753 405676 823793 412864 463706 gamma-glutamylphenylalanine 415447 458409 292873 601155 584830 375281 292400 344879 259090 211403 214231 169070 315042 223885 232958 218896 307018 185193 280036 546854 255917 128016 192026 255060 379814 328726 491362 351702 201257 296145 350772 383908 323779 202696 278500 588101 363440 212721 361022 133999 178136 117398 259491 334062 239412 188470 233239 317484 236563 292066 251507 239392 307638 278762 510343 335781 168940 139158 227890 180898 121491 281633 225909 114425 259090 190978 329775 182488 265340 303859 225854 335781 248696 283419 195746 329235 256107 349522 252505 186824 225646 225171 279171 278419 187763 240699 206189 217402 291126 313093 231678 163508 176244 207691 281065 359501 367407 94409 111291 495295 371531 305331 582546 998450 420852 690174 651750 883704 1229815 372654 288872 557615 1614384 384899 647875 321383 812059 970023 484406 394141 608397 669539 682547 754109 495872 805804 619175 973797 419326 589541 369745 571074 956388 455534 403000 341260 436884 385960 394394 580778 588318 250845 585984 551099 252045 244497 474086 323734 401108 397668 732966 155715 938161 502722 586007 966771 366610 575712 275630 230554 189819 568373 598581 681998 589695 971962 395674 394434 337499 529381 1064927 415163 798591 657084 529729 602399 1391873 501357 732183 638012 545751 288750 514458 492478 346476 330646 458426 116037 188322 477063 285621 141909 508552 346869 608555 251430 396792 273905 260827 gamma-glutamylserine 1968749 2147054 2764300 3541497 3407385 2079728 2676797 3045935 2063738 1835763 2378874 2054216 2323107 2135427 1716772 2435590 2451182 1911809 2884094 3273939 1738229 2249746 1921359 2751370 2421069 2235016 2803688 3220350 2111587 1682981 1971990 3031588 1660239 2897781 3122560 3601446 3070078 2080869 2824971 2203265 1712262 1846921 2113738 1758700 2173384 2155904 2191229 1719778 2179243 1842330 2244392 2562341 3118547 2356789 2812946 2079319 2600331 1081568 2647089 1883199 3192278 2091084 2078909 1797260 2678402 1693020 2277029 2445183 2911216 2516946 2121985 2953514 2137482 1447807 2437390 2391279 2981121 2925544 2528383 1979182 2079319 2098083 2230410 2266564 2282565 2709918 1829751 1984820 2503875 3239552 2277570 1015583 1812286 3587419 1286690 2501032 2978480 1903779 1891896 1641056 1607956 1939393 2415433 1989320 1635421 1738371 1716798 1258607 1887191 1715805 1695264 2034520 2020148 2649779 3999393 1713250 2171254 2669367 1553663 1053840 2002035 1744511 1937550 2815835 2019539 2423034 2256744 2356114 1924916 1098978 1701593 1784952 1203183 1040457 2700322 1573137 1428629 1748678 940389 1554201 760874 1754805 1555804 2278169 1234642 2121792 1905439 1861749 1703460 1489592 2214547 1891877 1522776 1052027 1691419 2951326 2359443 2701560 854784 957119 2141480 2049114 2520692 2338506 1353655 1432921 1976280 1598635 2182791 1888149 1830282 3080006 1831599 1751509 2877594 2084035 1707703 2452602 2034091 2548124 1412594 2059740 1288457 1884911 2463322 2343076 1031093 996509 946807 3995978 1272282 1085140 2808403 2298199 2211815 938489 1887440 1744942 1672654 gamma-glutamylthreonine 1552644 1032590 1202048 1865407 1496231 766843 1114948 1158544 1079344 1424963 1371331 644637 1378524 1732279 687045 821972 1192220 1092815 1675657 2903901 1186127 1353015 1108150 1902800 1551200 1177179 1524534 1740763 1719595 946485 2714677 1655637 602908 1535770 1693971 1452015 1336998 1113945 636262 1259245 2060906 1253650 2161598 2093053 1492353 1601341 1400484 1126571 471119 1564595 1160194 1990305 1274998 1736722 2927606 2512744 1831697 862137 991873 977571 1768465 952327 2885425 577473 1478464 906165 1367645 1696942 1247967 1322765 992730 1586957 1829809 669710 1011706 1068963 1170279 1958460 3029976 1467111 1536139 896297 1157357 1177365 960125 1083996 1070271 930717 1385869 1780471 805952 844214 1685773 1318777 788917 1025835 1135556 1160194 1293155 855177 827921 571128 1789765 1795525 558968 1839772 996976 726364 1320441 908340 1269466 1162928 1267220 542455 2118418 1040479 1462193 2142834 824577 884436 1334972 1205621 1019712 1229185 1145892 978325 1103645 1774954 950215 685277 1225607 1028759 962026 1062182 2429183 889019 1241436 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345996032 654706560 332326144 491093376 527342784 401634464 479299456 388159872 628722432 455949984 414893248 607458880 666407296 687495040 469136960 516339168 649845952 462179552 533702592 470296576 341546208 452789824 525035136 498692128 495874688 621072768 428766048 350666464 566350272 437275296 745000512 444324608 353155488 372326848 414104640 292444512 341502304 910170688 792266496 407505824 379544800 664020736 491093376 569532992 837026048 651192000 691172160 311745248 293222016 827830912 493811648 338177632 219651568 301801472 549886976 275457984 624077312 252865280 208889392 561384896 378171456 442754752 828023808 319359296 503303360 660811520 285564448 284198400 600142656 790083200 875821952 340444224 493053088 643759744 485622848 798095488 297501344 607137856 190316848 419194112 309759584 136791984 339250048 196488400 336823104 312947840 397691616 523972640 170749328 333891488 395629600 392868448 285876960 433414816 316499488 215277136 277039232 489133600 386577408 535315904 489567488 287483488 605985088 494999008 226242256 610633024 165304592 369790976 396400320 152161952 680817344 513213984 564168576 571563072 417958592 358310720 316949408 603800512 575132992 627965760 554269632 904311680 611775616 520824544 483588576 389006816 653712256 616659904 491658272 242248544 617727360 267349616 348627104 919446336 591136064 179443552 249660944 852936128 405614912 281380736 693208384 373750016 244538416 263281232 500123328 357667552 388729152 glutamine 1551771776 1125902720 1400988544 1794258944 1534938240 1178300032 1850972288 1491744896 1455463424 1551936384 1406672512 1442746496 1836034944 1852924800 1100225408 1866398464 1195178368 1648123776 1648343040 1551861248 1522291456 1411146752 1641905536 1575273600 1773376256 1435609856 1597248000 1521640576 1534391936 1480235648 1724593920 1537086592 803608128 1482678272 2159133952 2065505664 1673707904 1531608320 1350848512 1460956928 1646808320 1342883072 1583913728 1686739968 1387523200 1647942144 1347973888 1394811264 1379346432 1451844224 1263796736 1553073024 1999937536 1585239808 1899726080 1682400896 2160400384 1121971328 1772182528 1589126784 1327130496 1316392320 1586724096 1173741696 1478159104 1196478720 1765684992 1793717504 1669001344 1390899200 1366412416 2031645184 1860299904 1251363072 1952836608 1400043136 1663940608 1986677248 1848256000 1578099712 1378834432 1612958208 1745583360 1702054272 1584167040 1753913600 1670375808 1458153600 1627033344 1909291776 1359559424 1302483840 1517524864 1537946112 978968512 1716840064 1696676224 1208722816 1328149248 1341162368 1379559680 1015109376 1541077888 1776369024 1320747392 1016002944 1047147392 862355648 916104000 1379340032 1461848064 1139144832 1314299776 1247335552 2107264256 1291368448 1280811392 1516479616 1201959296 940163200 1457138944 983711680 1107438208 1533129472 1167627264 1448225024 1232995200 1064407232 1484136064 963384576 1585273344 1239180928 1156206592 1133057536 2316429824 1572395648 1010363328 1599159040 1077194368 1259415296 917141248 1359385472 1256972544 1768997248 1201103104 1579539328 893909760 1699886976 1415599232 1281584000 1283218688 1519691264 1004116288 998047104 1501990144 1289753856 2056220800 1538678528 1308374656 1346337664 1608486656 1418245760 1387595648 1396349184 1018448448 1056116608 1451844224 1664612224 1491811200 1131826432 1091128064 1695628416 1411763840 1183810304 1425196288 1197689728 966944768 1379049728 1452906240 1757404288 1065173696 1621810304 936984576 1289416192 1576289152 1033979520 945559744 1029575104 872018752 1555038464 1044813440 1510929408 1629436288 1834188800 1580919680 1251618688 1255595648 1458065024 1174965248 glutarylcarnitine (C5-DC) 205941 998339 441776 356039 389822 243481 877144 146159 366090 301578 576953 389086 1274370 357667 305393 460216 1078259 301686 670202 608767 387607 545409 564974 473113 209460 554012 219078 812410 489782 678740 324258 349563 487954 415079 570026 477777 514222 559516 316812 389810 557975 294729 334036 419603 169145 620255 373010 269445 458451 374724 322158 271664 347701 1627535 638911 209983 521570 147529 387583 466465 786765 579970 432906 289059 333486 271440 324001 535637 144267 305160 390346 305586 290779 342571 435366 204110 1639301 145645 738191 287780 333648 1082330 392295 389810 856537 490468 179150 474224 459208 549176 383007 744783 504659 282626 473904 223653 379104 691436 301655 144347 302822 467878 451593 483486 979862 578103 234557 331712 252260 389810 497345 249175 263826 247629 269915 534849 glycerol 3-phosphate 382035 331106 681685 589319 634359 602035 492086 1139040 733520 686725 565471 691174 404581 736622 1413263 504220 926813 327706 429882 723393 309773 891456 419266 909947 482196 390691 907800 735432 388968 385453 326665 870165 916169 428234 414089 1063329 931559 1024683 508766 403962 634017 599057 606735 518417 862805 604225 546611 483482 636509 676720 1126232 817946 410339 435755 526452 583290 555886 446481 492487 411616 948070 469870 768322 889652 941923 1055778 670026 467314 488806 393767 726429 483776 548365 488393 762497 681131 929966 614401 610772 539309 1276205 439421 407189 833623 702851 853818 491822 375153 838323 574421 1071718 323573 545565 1420723 433972 429622 429924 430785 994681 1098375 355996 543809 921201 662441 284512 258845 793266 497075 1911557 1333783 375263 665121 838855 278204 1323866 357934 644380 888143 300194 542053 697367 690488 1197833 507086 538550 563373 925985 465011 398324 450858 298172 364011 346979 603954 216065 397119 440543 369803 592715 511481 386822 388405 424427 171900 287034 451586 323960 439278 482028 624021 514578 705739 543809 174340 900818 584053 515520 947718 322256 262925 516422 606603 380827 361583 525044 602311 337411 295567 347955 1035322 902272 1380417 805212 589262 911180 961956 512681 350109 780636 895173 859641 295195 315646 746399 586414 413340 848299 298184 334621 776609 293342 469240 1133881 636230 338634 268442 517314 501076 1093015 glycerophosphoethanolamine 7323979 7649567 8859853 12047953 13589832 9241728 8953627 14656143 10163970 7673595 7116084 9538562 9028751 9032718 10009118 7464722 10913495 6844401 9143405 7806681 5006815 14463128 8762767 12197324 8251589 8940320 10139522 12332511 8104545 7552719 9394404 11905611 10914438 8649254 8552293 11838566 12285626 10946371 8603377 7865768 8584529 9064506 7571246 7113058 11730208 8875573 8984360 6041008 9958460 7752297 16889514 9360489 7085262 8065525 6858437 8939625 8334192 6912977 7321787 7163064 8000682 6301274 9769102 8272615 10920775 11982770 6342386 5819229 7495383 7214559 10212747 7065029 6992298 7114054 11169082 8637688 10716795 10753048 8329448 8889002 10729970 5126315 11158979 11846774 9510862 10625227 8809227 6342049 11347377 8832072 9042493 8537610 7678098 11880499 8519806 7631589 10019155 8527697 7698723 8511249 6356503 9368338 7565378 9065723 5839613 4633445 4473119 4753757 6916924 12112356 8151694 6251025 12471458 6236277 9630980 4886314 6078641 5610420 4626384 4881986 6210977 7034472 10729918 8372548 5774324 10856225 6907793 6302935 9176213 4991869 5191410 8448698 4958755 7390015 5760795 3973010 4767655 7575553 6333269 7751276 5447544 4086123 5643546 4142548 6082608 6835978 10059059 6157289 11410315 4450502 5675690 7613479 9598288 5055908 7719347 10971948 3189141 7694790 3781792 5243205 6762497 4608667 6013234 4939572 7080771 6190284 6252749 3419876 4850776 7648100 8501645 7958041 6930225 4638618 7166185 6372665 8463508 5382099 4642517 12999151 3660667 4564210 5054719 5903423 8740994 7883004 7304582 4545129 6457104 10770750 4206396 6057627 9962068 8008052 4418550 8650908 10248059 7464476 7698723 glycerophosphoinositol 221329 329140 258158 335062 284249 519984 234053 516903 256287 786956 313110 495464 449500 609401 182457 197539 705347 196517 479937 328699 282859 876259 423606 743336 668267 719262 382464 651229 658546 439937 972590 422008 1081433 181252 444339 428734 526758 1005789 191748 354870 839636 139162 438716 1117392 573502 317241 634536 533093 324287 1796318 355278 311212 244189 510423 404689 294219 389218 208953 638176 293746 446342 979181 835553 556532 591432 385892 478109 500475 1122058 376537 350271 570826 352167 345053 575331 300172 444310 1039191 289028 671934 620484 463582 605995 518714 499310 1623028 182196 452861 219712 353177 807130 295700 267507 455609 451102 717856 376591 339838 739239 909942 551815 284271 436297 203990 707258 581330 4540124 1010498 511137 2242163 480641 649627 438274 150182 462253 348603 538168 639061 262702 583083 643754 341096 669949 535400 604014 1025928 138407 420388 609588 214631 176007 353838 197442 370687 842619 479900 636054 680551 231263 709438 180081 468893 200948 2408465 543858 678558 182080 532089 671324 657221 587363 833926 348311 572296 294720 202181 316458 495793 893215 633178 454887 420060 596513 718897 679339 536255 510013 306187 696067 228092 539050 223067 272705 237268 479023 572609 513585 524261 541130 502247 194062 240220 1436065 457685 413804 590637 306304 359930 340686 1406353 912126 1128079 glycerophosphorylcholine (GPC) 147134736 136774128 143663616 214946544 224555424 209444448 169872592 223565920 190340928 204848064 131305488 200806096 206171552 260560368 117329984 147528896 232191392 145050528 213465728 165362528 103954704 246488096 176947984 212783808 206850816 224007296 189151616 179954592 183445008 166918384 227084080 210550096 260911600 151536096 237468880 281191200 229115792 286383456 145520400 177871792 234225344 227291136 155078576 229102032 280431232 191606608 145408256 198664752 209024112 184996736 370603552 208910704 98931872 188006016 120034296 179167024 179665280 107019744 172228032 150176016 226391728 122060904 176719968 218390304 206410528 187808528 145232176 158270720 180977520 165244560 222156288 212292016 145798608 147835664 272689312 201961184 178376816 252692512 200329248 170869744 258055664 101878464 171006704 227001072 157996368 235710768 155583088 144091680 333257024 146441184 196757008 110059616 171717872 300119584 180796976 171950192 200868064 182106592 186144352 90487112 101205240 246592128 261443536 83722008 93818864 57972476 130566880 135335888 245353008 812321856 202843072 229602240 499867680 66970904 459834528 103955232 144734400 236225056 86686432 103598352 217706544 153076160 270966880 167153920 179375968 208044560 182044128 114256792 192085488 99352688 99365376 195755280 61526340 59740296 85440720 55351364 85800936 195075280 88356024 99615712 103287592 52935036 135743776 99636792 114718848 70676472 373381120 154887024 193456528 185097472 136446720 181313072 59096856 59956600 255140496 207219024 47452188 315768544 65459120 56318220 106499704 66341432 209128416 117697768 126380680 163305552 69122808 74420368 139738768 244603360 214497168 348064480 221864800 188913072 250202848 191859472 130215216 74647080 218763376 196379728 179665280 112237848 244820000 65348948 144932288 168357584 213284320 92096720 224226128 194619600 74969288 156333056 308567744 156509312 46190872 272871872 227170864 250266032 207036112 glycerophosphoserine 295388 278083 615675 573373 577548 456096 384733 779724 496892 192347 218855 487920 242294 342127 279327 246624 885354 118561 193122 404238 288087 504613 295372 662759 353942 420075 361586 746659 260237 276564 235230 670678 472538 314348 296984 438773 493207 434014 267295 293788 300408 340881 287968 326780 426514 418352 452672 363121 469305 373858 1119336 351791 259693 381519 309173 367941 435038 209314 300123 284223 410730 231781 385220 577839 666067 763557 301642 302876 387716 345563 702869 250096 263859 249464 301119 347569 263601 459147 255626 338671 493862 222249 410848 326646 245023 301642 465463 180153 363309 482718 502219 225934 240695 751993 273713 429975 432744 496998 351626 167199 145778 559528 230935 419286 168440 305715 254034 319162 203812 447833 281864 228892 603471 322296 272532 289060 167378 289854 327456 252204 272756 350281 313986 323229 281423 497991 237625 690568 185031 187920 169589 344051 265671 307310 303399 242323 292523 253894 327835 427575 279846 150469 295915 161427 159502 259083 381538 232982 323151 186891 346356 413538 438872 232274 341509 431257 248192 249900 231311 248608 342746 247091 259454 236026 422053 258749 312920 152509 217213 202246 692604 250609 237113 391474 266417 204100 201555 308428 190943 288836 284670 148348 357049 335073 316384 513085 328820 137449 201251 790240 290364 200973 243333 249191 259393 292383 472809 217441 161434 glycine 195696048 171771808 203645568 247041568 293191776 146764624 215366576 173610464 155980752 183017600 140811296 215062016 216721792 206771840 98237904 177011472 157046832 163509904 175023280 224323152 133288936 173199552 133305080 186991824 168180912 143664656 168547952 220724192 157717696 117993472 152863936 177132064 139462560 164433856 260321904 243730176 249703024 147635344 206253072 143753680 152689808 158527552 194304576 194373776 166558864 177317776 163974352 147080656 192269648 158906816 217968128 202628928 209367616 211033392 220225760 216496640 200964192 112305336 207791312 158527552 231676800 173945776 176747488 127142752 149780688 159085872 195794208 166376480 161916736 146009280 192141664 224064368 166341104 137853760 190343968 178999088 175035312 293194528 219579648 127855072 186691200 156662576 146318448 179585088 155345872 194228848 181853776 166102912 160599456 259796032 155615104 99667624 137767008 241893968 134815088 177134368 233288656 148985760 145731728 128510848 147407520 157802992 200180512 115021000 94605376 87238032 158807104 79708936 162126112 133657424 138425760 187612672 111109552 140616224 327422112 84267712 159936336 216926144 105341904 89344568 177592768 188591632 170634912 112539160 130596344 134987248 140556080 161159568 176234544 134912752 111181960 114619720 82079464 66714092 196869296 119218192 84917016 111392992 91568520 119054320 63320576 156994224 119876944 132887832 88703488 161320032 105531776 155846048 108161416 158644832 118175248 172326336 103474480 90089008 187130736 155927216 142873952 219797088 94425832 79259168 207048384 105111464 193664416 151738112 101805904 152414784 147192688 141797360 144676864 158594240 140421728 268604512 168752768 202763808 192132704 158460880 144080096 172069632 208629696 225150128 157900000 127253504 149603104 91074176 157514992 146618432 138376784 117892880 78649272 203941376 90021952 112261792 245124848 184592224 146804128 111189504 190175888 116177280 139832384 glycylvaline 23437272 24159282 10127132 7960572 12195737 10722820 12952009 12668481 8919396 7599586 5652989 15635151 10502399 10638619 18254710 11091695 11477886 7414559 7605478 5431393 3832304 5217461 3749208 12120954 4423621 4928714 5395217 6200482 4385517 2193723 5692973 15761118 12367521 11537234 14763865 17465196 25792646 20790000 15597034 12919865 8049087 29542174 8865630 10255014 17083486 12768368 11712757 18375222 5938573 17994756 10207084 10784192 2000942 23900144 6289942 7361043 12275947 7283777 2780067 2413014 13304026 3539582 4089455 5417615 7311035 13881977 1853352 7995171 14365026 6815499 11080151 7997489 3215144 3813566 8818691 9664806 15215203 14964717 18649702 5421167 7476584 6214941 21384670 10878428 6573851 5524889 8555641 4421514 4000673 8786199 15561284 3639408 11991936 14178525 21586256 26124092 38304392 30743246 9912984 2629372 17834176 23660816 1718258 737562 861896 1091361 1500516 2136945 1288271 1488401 1138311 599829 6288323 20155198 2487722 1208792 2180329 3233984 1848971 5618385 932642 638673 3337835 2178957 331358 12791216 983920 927146 2413507 1221852 790791 23722488 3904659 251644 4750526 582933 2354212 976409 4261154 8912401 1259937 837359 17035522 1044055 1332751 8302476 5961790 676705 2730009 2885770 11002613 8500198 22764086 947864 764529 14305135 111710 2171097 1862723 1195135 3397839 581219 1944250 1308905 14606944 1323652 5216965 5524889 4072246 1439305 1171724 2077095 1600102 1707462 1478488 969733 1291375 10588666 1535848 591201 1073667 1493736 132747 1275326 2751359 17966712 1272962 2696968 2818224 14009534 4582631 6063321 1236784 3213631 271655 9630481 16178462 761046 3011522 guanidinoacetate 10535881 4741910 5168695 7926213 5652205 4486171 6285153 4876094 5231889 5103358 5695384 9592174 7028957 4115855 2117188 4694010 5601211 4530721 3937970 8474424 2932034 5832624 5458117 5222778 5061282 3517635 4160576 4166635 6452386 5283253 12169484 5898948 3351862 6395999 6052837 3066579 8697184 7016773 5683219 5389389 5550525 6323112 5615996 5669805 7416848 5085187 4124887 6981266 4889560 4508446 5631816 10595590 4508446 8937486 8339327 9127364 6951042 4696243 9059432 7747407 11225865 6039598 9330311 4618901 8781722 6098144 4137418 6268893 4555498 3515718 5825385 6299424 6876773 4936662 6491370 3871557 6629921 9656282 10564861 5625419 6504922 4779712 3109439 4097259 5346572 3541114 6005664 6383116 6186699 4476738 2814412 2716877 4418904 6271117 5339361 7143123 5728525 9795220 11409167 3403259 3845632 3326076 4697222 2247561 3372871 2202410 3209990 1637319 1952795 3332113 5524709 4359488 2985422 1431744 2474360 4792067 2956154 2378659 2461775 4019294 1681244 2859973 2455328 2185781 3647328 4001102 963134 1776663 5340563 3001726 4164366 2750983 1933059 4457076 3689883 5123856 1527617 4189605 4186807 1592972 2659492 3943057 1558409 4071142 3654647 3623989 2976912 6671696 2079422 4079272 2284218 7468065 1210658 3740653 4761772 4666771 6471450 4624350 5708597 2696269 7141493 2618027 2381178 2012421 4636390 3349319 3188306 3052385 3525610 1756439 2735717 4357370 7485602 2414147 4415232 2360600 1975560 3373832 4046496 6291514 3978924 3186521 2634962 2067798 3594778 2064025 3276755 5585402 2700348 8256495 2269164 4880880 3987197 6816418 4993063 3217714 3845925 2907905 11433329 guanosine 356852 371882 299645 774123 485763 163647 286917 360449 1649342 745429 210667 450152 156706 372507 601954 13112329 316499 849810 2570602 390302 1984275 511150 115895 3515178 2662796 84856 459104 391481 182598 149884 2332089 2396543 54577 251481 40826 248012 80784 253565 511773 68864 261167 159329 164337 348966 719343 278077 2174776 392545 570917 162624 323497 645130 183227 115192 561324 1338976 461618 2566409 679747 781048 1405170 750852 659568 761154 1564710 564786 278963 865140 299671 769793 483866 440963 1581361 3327436 2692186 1643484 4876052 2050039 4079266 14483414 15036939 238899 135328 517572 753802 157821 193400 53066 464970 2136126 820631 480449 4697662 971271 43045 3126564 47728 71101 234501 498693 875570 1251470 158274 466525 2682832 4239344 251578 116656 271624 1166699 4336575 7115732 2184470 508201 4144393 416856 935821 1780078 1825405 1067037 14614338 4221120 148889 1907237 4446936 1049598 2490027 1895885 1993931 235712 352247 429769 143485 4440997 4894148 6999806 934525 1583221 645130 1791298 1187258 1019990 137398 7690769 5892692 3942974 2030674 3998333 1449831 hexanoylcarnitine (C6) 554537 922191 405203 849482 971350 1495739 464497 1066795 485078 2229507 998399 522725 248610 2006767 2342500 237408 374627 982158 1058591 309632 2155711 242694 1111612 1137591 569954 620447 717791 736648 793296 1418930 590958 1040459 1561508 815718 1032916 1081149 400392 3090299 1291373 1699426 1434319 674988 1096454 500178 815170 516641 2114307 1266830 502382 1163739 1010458 230393 796462 1326270 1147503 863921 1168492 1304182 1064234 1742010 555271 1340613 648199 304991 634913 608848 417931 1051888 2277333 863169 1030410 1581873 815154 1451744 280253 290664 894292 794601 864007 2675922 920790 2299720 4206359 710426 1188968 2342994 3332466 1249597 964217 403149 1040535 487553 679228 555754 1454577 912772 428626 2042771 639008 921143 1484561 605890 1114329 1229610 1537418 653659 2279030 1837065 995365 345824 510134 226213 4697643 691979 750360 2235864 2900498 3090333 1261541 1120718 1553561 654931 951889 869606 256774 550469 1039087 971801 281415 1957057 740981 2142487 1612018 1374335 2437631 819241 4347445 2356083 2786272 1702710 2027760 759605 1542334 1920474 1619546 682578 2314913 862464 1679577 1540321 2246062 214175 1730857 1138933 643905 771272 1041243 1364301 1165800 1032916 345711 24991366 737143 1065158 1837458 861943 746896 1168413 1026745 2349470 1314611 675722 540362 1252046 729536 1125113 1892139 687609 1314205 971269 1616452 3067257 2305300 1049799 439961 1250633 2025663 760624 1114083 388200 1620003 1678152 849543 661464 461561 4753563 554603 15229264 318918 histidine betaine (hercynine) 235923 156026 104015 146108 239408 290192 197638 393630 212782 117491 60327 269763 68367 77904 56611 96563 175915 80444 88824 83683 198757 71445 216213 607649 174614 732855 310884 202592 128759 206268 171071 165130 164486 48096 94846 81371 63178 294920 174302 92751 177189 299028 173917 131752 198926 91269 67596 65885 682954 477617 158924 104338 241878 250184 195381 88623 98522 121229 83187 103053 62550 211322 45547 99976 72229 121027 293301 1137866 112993 114695 216522 227078 226125 498753 138419 277404 198962 104954 484970 76828 243497 337597 235544 105995 73547 77180 127835 62016 171597 89448 174525 172414 429473 170353 237859 70146 302763 523861 474598 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4370346 4836209 3517744 12300239 8140785 6674999 3778770 6732664 3767193 2226979 3459774 5206014 2395259 2601741 2077131 4588479 6086171 2543700 5128833 3024882 3493324 4307848 3414361 4123970 1523035 5809093 imidazole propionate 170597 198191 223975 404586 581758 347145 582530 872313 782055 324752 365718 1316120 1162650 1545624 468808 753760 661916 1539214 938913 1268237 969816 676136 651066 502451 190870 481416 494342 931866 497655 427717 480150 288852 1112021 377942 427543 2090936 1655853 519070 269008 396060 1288879 998020 2974759 1203243 469238 645634 418916 1971972 637024 822096 982541 262527 275740 1057356 518212 485574 2070723 231539 469408 480055 1076038 388827 448129 2753942 4561739 1098993 336271 303128 763884 444437 494872 584952 422665 313387 443512 210866 1518253 952390 670963 456503 2262507 179969 272968 494872 1719629 350439 467104 259323 277768 318911 570049 310580 789579 426511 330546 203532 500697 281066 106326 411302 239837 195961 501244 477658 506040 602333 386325 240549 360185 1163051 2467146 448938 328138 753091 3184949 340363 475782 674070 424510 758043 371098 211009 352205 412902 1097908 530135 1150281 1101508 453553 3847794 521683 296994 12379416 404282 847066 2765938 2984428 658270 201873 294028 1106040 5172940 528901 1715950 174007 838917 20800344 2318055 578004 487009 260159 241707 296111 257759 542778 830523 4612403 434793 496148 467253 288595 1215028 2943196 899973 872930 753880 421530 496833 403190 462091 1406497 1292460 457745 393313 4906466 329160 245744 489108 303393 15532575 326717 299686 1023526 278218 610531 409082 179771 300230 497204 735779 207259 1393717 495402 265545 475526 235345 3948663 169889 752497 indoleacetylglutamine 128432 284124 452674 265435 142600 230754 94654 51675 98875 237013 89310 666674 74575 261214 97511 152021 263263 110621 226648 57551 179470 118168 153816 268540 54842 200419 127266 97650 598058 90908 118374 142278 113310 143636 67549 172673 462336 99811 159265 640960 118510 135877 107363 110130 164890 235341 135384 189111 145350 260628 38711 40604 3329966 33499 78529 70619 74254 151675 60612 37343 83664 247213 54375 303367 75654 52976 43362 122888 78810 209588 95063 49006 96525 576113 96699 109786 700921 117298 151384 38167 77657 43583 65278 66694 101030 116622 277387 42730 132723 269099 114364 515970 95996 65151 215618 214454 2786911 129154 105156 273782 35605 85934 52390 280681 87215 135292 45481 99919 195559 427397 81480 568681 53209 351177 165356 235666 448802 292778 indolin-2-one 165336 204156 299269 78206 214099 69580 263377 55806 107584 101131 242665 101383 119926 215520 98227 117355 111881 135589 248929 249901 358301 296845 161883 110938 209937 91870 226965 108537 131686 149108 420257 61603 101671 191354 212588 192611 204893 193774 253820 343252 229652 199598 190171 284858 60027 364917 203419 217757 129371 184207 181291 240375 217700 190639 147375 150839 57037 179729 108971 567789 321904 209263 305936 132596 123473 122564 94025 377823 233204 416815 204655 384123 344427 346314 198170 377001 141314 213447 63042 199049 39149 40638 153170 174828 394879 160100 164694 160297 411491 150050 225447 378956 107172 383999 124356 281435 117438 210571 316174 259663 397097 139677 109184 124792 90302 339216 186674 283450 261716 552835 376764 225110 344165 113532 109785 219351 703815 189364 88565 128727 622026 249924 338438 221988 205115 150692 137413 140818 363890 108804 423944 256199 118462 631362 157177 118450 218850 140715 98682 131890 355692 687897 351512 271937 221663 160603 246886 592425 542304 249244 131748 407383 420854 152619 228663 229886 161458 310613 268649 641415 273929 202113 331769 63699 132444 253734 99087 157672 217004 278159 89131 75228 395661 539982 152019 237656 isobutyrylcarnitine (C4) 2932146 4923183 2217807 4580654 6410309 3380719 1989326 6129222 763162 4993721 2396852 3821711 1144851 10397075 7170605 2189956 2067864 2439201 10569514 3217195 3426540 1803632 1748299 2134758 3867309 4717304 4511888 1512483 4476304 5031508 5574567 4449807 6260524 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5990014 1379830 8470872 28008734 7704104 3245715 4887063 6874453 4384289 4386235 2643748 5247324 5439894 7162554 5311628 5492330 7883269 3060378 4190148 3869534 3501275 16248996 5860502 3802765 6080878 2057105 1494689 2884681 2473795 1771605 5314902 3705081 2793180 1510823 16498834 3138499 2072859 4337606 10987299 18426512 8443301 isocitrate 1485456 501996 1559649 1116273 473163 1070825 1518598 1275024 1287784 1095436 1726775 1152031 1697893 1147398 1607632 722905 1041661 1242290 1357055 1089089 1395668 1974582 1011560 1627977 1238656 1578174 1661718 1825726 1449775 1510837 2508388 567855 1387395 919357 1308177 1460184 1237889 2803940 810539 1051946 1465973 1767829 895751 1151073 1939434 1379765 865699 849412 1578024 1573811 1379677 996444 1482379 1772188 514947 1416114 938359 1608590 985940 769612 1960808 1109947 1267520 1500970 2427417 663548 1237984 957688 1875941 1730478 1149828 1702263 1975411 1671486 1474122 1388595 2073462 1593217 1954340 1280468 1376975 1278313 875023 1061610 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170710064 247314864 172134304 212845680 methionine sulfone 2816140 1850777 1759057 3111525 5467586 1179639 3729489 1990185 1956691 1541734 2601168 1416444 3992180 2720501 1871174 3461977 3339077 1689903 2171047 3337919 1620510 1783716 1011485 1657843 1753479 2525076 3925599 3108285 2168992 1335454 3493789 1610490 1152925 1451465 1563715 2133608 1891765 1068738 2917443 1350556 2276153 1434822 1541137 2343587 1162958 1491230 899491 2451392 1873491 1198157 2112380 2465710 1150073 1818442 1837681 2482219 1925732 1156655 1335725 1711442 2647036 2134034 1213409 1874629 4408752 422775 2738373 2591530 3283515 2515097 1956001 2653812 4027687 2186704 1667197 2251706 1306945 3129026 3265909 1264058 1925732 1166209 936873 2282431 1638994 1549110 2351070 1779943 1814706 1538454 3266805 775702 1066806 3026559 2298644 1657406 2090822 1328051 1233798 2138416 2428634 1212472 3247181 2287195 1426082 3157887 1702370 2138583 1572050 2882582 2196363 4038073 2736219 1521774 3901381 1963589 1400663 2336461 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5679131 8167822 13457665 10680965 11745107 6869515 8707536 9587071 9222992 9759438 8243246 5856209 10096492 15431278 15278733 13403926 8225506 8305289 10967042 11686722 7988424 15857679 14120364 9131648 7281470 11075434 13334149 7070801 8123540 6031952 9646351 12546160 7764536 6549686 18519934 10412770 11200361 8213413 13570883 7269062 18394366 methyl indole-3-acetate 871142 325196 309722 369940 300836 427111 431330 277735 267576 236078 443966 78832 812686 188520 727838 73892 427010 405344 638251 166490 589243 313902 1565318 508704 199791 211862 452772 1189039 209345 308884 192576 205955 317756 177579 425690 487337 387084 660377 145398 315685 378811 302488 243806 100724 274789 186650 258825 551424 223471 136870 91353 221596 1643306 218022 154010 212739 132819 627875 95882 238966 3404273 88423 434824 259913 199427 160063 167717 209960 160801 68525 246104 773087 241121 129051 86457 1742315 248402 220948 300003 123291 609329 201686 353416 272936 297288 109500 517479 220779 278899 455017 207941 158470 974184 337432 411958 353995 90766 217909 263841 1900864 85317 676532 193059 229750 91649 89668 197523 60672 93850 41695 344988 58290 262574 217419 159706 77094 141422 281109 90447 311417 54648 388375 158873 161028 222747 925545 627671 methylphosphate 373151 518404 394512 455957 358117 601093 1341241 561515 347486 378364 611566 614133 711900 648871 384812 456827 593917 541845 777189 581172 642058 626944 482742 636195 727273 727616 500884 711255 710093 524160 853530 601153 472834 502971 935501 775270 429397 533041 530563 386192 657837 613164 502801 580484 622330 766248 563490 655879 493258 352798 419073 547972 674623 796468 486091 674412 641070 579843 601824 590632 376363 562644 388472 628477 519712 475756 556612 689640 595661 448962 617814 923016 478740 559373 398284 523299 633690 460612 712962 891706 746125 609014 866605 575228 531143 650970 543199 530846 686584 469962 704924 521162 464563 689113 509269 572165 1178180 413663 501223 607177 590404 434038 484240 532351 1018803 393638 550301 529784 457451 483066 478969 537147 428347 416849 355479 615630 448963 467017 484648 411250 691712 365865 522414 571353 575835 583792 517028 566934 705123 484299 449337 581209 441957 367180 445905 545202 304177 579402 396234 490843 531661 384171 548159 634704 570111 588236 521880 527369 397121 507382 338597 549782 589883 612865 503955 673957 577367 377254 347405 457721 474067 532351 345159 542784 400874 507473 369598 540267 746359 614598 419183 508511 437613 590366 626738 511596 360400 514958 562688 659795 388108 482376 660944 413703 349008 458954 343845 367215 518962 525984 611400 420478 845313 583932 373489 665734 761881 527772 280357 N,N,N-trimethyl-5-aminovalerate 26494926 55100616 30993514 23429060 21632052 31607692 24633682 29510344 20950276 27944742 22314796 18348460 31630240 24522804 29252486 26252260 45054328 24077904 32364988 31378432 37828408 26806850 22103750 34886652 31752408 28195050 69896976 23744654 27177158 28789272 29413182 33778876 40760056 38111064 29332292 27174618 23692688 15311465 26624600 41928944 28005984 29233612 24694258 36057608 42496680 34726904 25127412 16749890 55896900 55669396 27320436 22770974 33359542 12001892 106422512 95588912 38243148 20530116 35063592 19526322 19613502 43668624 67539312 18681374 23908740 7603924 32974894 12423942 27140748 41088632 21095382 34589552 10024703 15968269 51077972 49673284 33445444 56843792 59288948 30661218 40519028 12558161 35260372 46451760 92641040 33257480 25722360 28557080 18181260 35739456 33945888 11604785 12573062 31841476 29267018 24799938 20078384 31976340 11413282 29461764 54825344 27289860 33727480 14723653 23171546 12763094 30152808 23250714 27534004 20905284 22649426 27025420 22711240 25348206 47538864 33916816 31069506 26590404 47731628 32202304 41452356 18815136 15922211 32344814 30067106 33494232 51635260 17949072 21536470 14364275 25067444 33176456 20712070 21886422 48385604 31326396 28609502 20935944 31776200 37883244 40420096 27469352 23580494 38280620 45503584 33146050 27646136 28529594 47243764 38402312 53652456 25224198 26930890 10482698 39073944 74447576 42102952 30822780 29461764 11640198 32961808 50357872 39096600 9911832 18297522 23394300 47454048 12517373 21291624 47088136 22423208 35587488 15836649 23057170 71615144 44028408 50660060 55810860 79123312 62093352 29952056 14511703 28216744 46052592 63468952 31821368 20722312 18179800 15217024 51572832 25696474 33698636 37191708 65801092 36269156 65113428 27690170 39036520 24983392 N,N,N-trimethyl-alanylproline betaine (TMAP) 19437228 18072242 14276286 23467136 20235074 16797514 20366056 12367773 14767520 21310432 19790784 19868716 22062532 19437228 24766364 12399133 16505586 15084815 18420142 14639355 23287640 13610801 18033552 17191176 15903202 11597967 18411054 15494462 19533844 15936060 22501686 17580738 15283970 13332271 33019174 13082299 14621964 13333483 13135987 8730259 18779812 17390186 20854494 22040582 22710066 20186780 19813476 21854078 13733648 21222952 13707868 18161924 14424961 33861888 36047452 31833728 24179258 15797799 17803478 11242610 14615941 9205093 17183460 9541663 25296824 8605074 21868904 21005656 14437200 16612600 17993862 15019080 24892680 18316748 15716509 16142966 15095832 25849126 24080910 24600288 21750724 16010545 10000854 19359816 16891846 17100542 15077565 18645966 15847551 11639742 16803778 12849489 16075766 19776594 12638638 21861462 16049077 15778239 10873738 28313108 27545462 15653572 30459506 27142106 22600964 27229392 15016418 49994688 31485260 17259310 22768812 21031696 37928140 42810228 20394096 18791380 20786960 59419824 22428168 23666242 28251302 17367422 14298982 44839272 20098298 19340612 32027128 18229274 14219435 13288220 19868152 28041806 12779315 14409900 54006140 15896812 21017506 19748802 10545321 30525898 115241328 20958940 69221424 22028988 30272670 19967550 39572676 24816512 20155360 23099498 85339496 14304082 31293532 20060522 24022616 77125720 23169806 16566842 23621986 12406304 20561498 51264700 30745362 19722036 31323102 41699708 48670112 27154440 16053768 16499784 36435792 12634998 19798304 36361332 19901910 17613378 67748840 36082836 33031622 23875604 32137304 18221798 9265182 46809220 14234438 16416121 10118223 10918852 21889352 25319916 18916694 12601853 14769902 12970424 24822900 35431420 15535184 9823493 16851932 N,N-dimethyl-5-aminovalerate 197031 203461 105171 268865 233452 345861 204855 909389 213401 315987 238861 394969 660258 486701 941583 318617 334560 135898 205201 141241 405911 370620 408104 526410 1044425 241375 438095 330743 619557 2166633 132004 169114 273338 232823 713158 845027 256018 392389 516590 661148 379595 148593 284935 460125 250907 241385 70516 462214 381184 259866 235573 282694 425700 186607 352842 413507 343565 112534 377578 157669 410794 525471 368551 403753 384053 221094 170551 274366 136358 202725 212156 342905 192537 531733 206882 433203 418502 220055 139059 243445 212831 287176 248484 482606 515393 352132 310181 383328 116715 188994 164080 405085 208673 167291 287196 298039 379705 194731 180076 412929 483761 244168 238939 211946 409956 215153 166199 123350 228294 173898 339505 227975 209232 471793 278580 352961 383048 442597 331977 492433 430001 341102 269260 342942 154240 170254 342393 483317 715491 288079 244837 451578 146493 445358 192857 190322 312012 244056 259689 186626 247366 219687 173323 899114 251664 560140 214064 77339 334644 265260 N-acetyl-1-methylhistidine 249984 113253 160130 187250 308493 225822 90515 116904 161445 180959 167124 95360 251010 109101 193533 163516 186736 263631 200842 87437 210000 314658 116006 67834 129319 244746 291219 251819 322236 95504 53549 254002 181981 169321 218346 317523 368009 618397 302412 254994 222263 362320 216343 726027 125149 189290 146866 304624 179921 80447 205328 360393 156593 60921 42026 168417 192495 259246 112806 258471 128847 177425 121398 248957 80299 172460 348493 246496 179855 356024 187449 96501 335469 340929 163455 128881 312308 418862 333354 391640 327880 80446 104741 108799 103138 145037 225035 48964 111823 302363 353608 256011 104099 193044 909456 50761 237352 196027 169213 152702 208657 214529 177123 153274 108673 260665 222667 744794 135836 188573 224922 194629 226441 349655 631418 156625 30248 149583 646807 336675 60042 70321 326881 160027 118497 67180 249666 290734 334905 356968 76902 535679 405822 668270 296350 236259 112378 249760 187798 169378 212757 241219 120573 87926 256443 113972 224767 223218 108036 150101 166198 234450 707691 221285 105973 165622 163237 144967 316643 127848 199881 508022 313260 144684 421663 137924 247209 413576 665336 128035 114862 113473 124352 302973 195328 203207 382859 356975 368854 290242 92265 147448 86040 280951 102600 196645 N-acetyl-isoputreanine 8870027 7023864 10267029 10851885 19746530 8300502 8210086 14735520 9059074 7735929 11821151 11473484 10365863 13045408 13156559 5181326 18470012 8812641 12144633 9545197 12610083 9400837 10673576 12218438 15478546 14153968 12007672 8337724 6472434 9409197 9170933 10439389 13618466 7853592 13017005 18690232 18561080 8833233 13669762 7559675 9207826 7376625 6652166 10735613 7578949 8041013 10517889 7977467 12272207 6977444 17978306 9126951 17889114 9959846 5671505 6932012 9141053 8991455 9959846 12157382 6253249 10597021 6522723 8662426 9822476 23745254 11005379 15551005 12011168 15371242 9817382 15102735 7020868 9260944 7699719 11145933 7944059 13755838 8842247 10995029 5688573 7971181 19152068 14286218 7790279 7759881 17129276 13953838 6684473 7807098 11335007 6436732 9752088 12939761 11839448 12149402 14182049 5058987 4689393 8090275 7380296 8069533 15663559 10758387 8707562 9394384 12215472 8162182 8437946 14509804 15000149 7104249 22399324 7596385 10648953 19119422 8287703 11666973 11381200 8973675 9948196 8010088 9223605 12115320 9735658 12756649 8983243 9545060 4896327 14579617 8309962 11833853 13182491 5558093 8335959 9784369 14765266 8662748 9331645 12462905 7707911 9352529 14136482 11778722 5866555 6125921 10952282 11351885 10769115 10377170 17652968 9971495 11185958 8585080 11834933 13107130 8660726 18760650 11791929 10642998 7412188 22870154 9077520 8433794 8303985 11343812 10228430 12434986 12436314 10491326 14179843 12901443 9685137 8886804 5583345 10350775 11110931 8708603 7154272 13109471 13354212 7223797 13783943 10419096 9817338 6981290 8736188 7051495 8754597 8696192 5941889 21843854 15335567 7194050 10337444 13411425 15665612 12724591 7708333 N-acetylarginine 4073093 1641026 6379663 3606552 4617609 1315490 2199019 2378687 2299143 3529485 1403193 3025516 3240913 2264228 2262914 1562417 3414315 2044512 3069365 4200836 2479335 5439238 3724702 2862535 4957571 3376813 1731104 1948309 2364627 2853034 3903493 1391769 942783 3126326 9247764 2673774 4130548 2818877 2777762 3295883 2871653 4520696 4587096 7579824 4820020 4112567 2670601 1615962 3769497 3402382 2622443 4020024 3981919 2664454 5491418 5436662 2382039 2667903 5749261 1983011 2101046 1906213 4704693 2523710 3261105 4743733 5651135 2692856 2517263 2173542 3162349 2625744 2805286 2897374 4053294 2793112 2821910 4867386 3815269 4080191 6688929 3487974 4215263 1700659 3650975 4580233 2297710 3440286 5213537 3152641 2212963 3143478 2776618 3109502 3821757 2545956 2583751 2284725 1922216 1823067 2085978 2317181 3681501 4308709 1745194 794331 1810693 1377730 2316339 1083017 3804861 3045284 2222469 2210951 3324898 2395135 1824090 1968889 2703341 2291460 1702108 2521459 1748264 2083631 2839559 5410499 1207061 857747 2681302 3031789 2969476 1397192 1296665 1572029 6960646 1936332 2031175 5762296 2493839 2835256 2248382 4019438 4702447 4412050 4614910 5253529 2734071 2441696 2432793 1769286 1281760 3316557 2826040 2799199 1625002 3204196 2799199 4537608 3656119 1909253 4935989 2906503 2049111 1684286 3102749 3105042 2883764 2486634 2542332 1412153 2450174 2440918 2951359 2881336 2558176 1617750 2887960 2712751 4012345 8624552 5049433 1940806 1561428 1166673 3947603 3344487 1329006 2055765 3925173 4928120 1494516 1239549 5769024 3399434 2362158 1860698 8854959 2506874 2550086 N-acetylasparagine 1912360 1305543 1753591 1706922 2592315 757654 1272943 1421625 1063019 1219454 693360 2046657 1820396 1047722 1353563 1366902 1155888 1374750 1402421 2747208 1091752 1936429 1567708 1625568 1500643 1260250 923598 1122136 1522486 1351687 1422039 1017623 858458 1666200 3245278 2218148 2099474 1107160 2935988 1339854 1174146 1898771 2014192 2136453 2397076 2114404 1666295 1545277 1793873 1737852 1451155 1341464 1849391 1212981 2247025 1254042 1217636 953756 2869612 1122876 1043590 949677 1888694 1514352 1730872 1406575 1369488 1069999 1332845 815348 1267951 1414100 1448217 1427099 1630160 996644 1821288 1292424 1244465 1334754 1768302 1373727 1277821 3092716 2082602 2173529 1441983 4519615 3097604 1523238 1191462 1496761 1926014 1311733 1295419 1228040 1533260 1023271 895449 855821 936288 855793 1214340 2793416 1146328 729337 1381846 900384 807378 1254241 2470006 1999688 1256865 1122897 1443860 1252872 976557 2260561 1506235 1023566 1266036 1359722 1318832 2160504 2795126 1945630 879429 685836 1876450 1517683 1094250 673863 1006036 1311261 2263964 1227579 1647723 2212610 1502909 1381390 1681784 1912724 3131289 1860051 3754789 3183955 1095334 1593792 1282731 1002417 640384 1509179 2454299 635810 1209212 992246 2213247 2997307 1358254 1029885 1115620 674148 1159482 1710272 2227596 2164102 893772 975854 1320184 827827 1700404 1414100 2774323 1704924 2017009 1147429 2262127 1265323 1061391 2266656 1846518 1040379 1323846 5345454 1559965 2025787 629881 5144371 2299065 1876385 989709 807427 2751518 1554793 1685153 880397 1727434 2050578 1573370 N-acetylcitrulline 991897 659890 2187742 971671 481186 350983 708696 1518642 350133 856469 626961 1423577 517065 951614 1642697 1028032 927351 754584 472476 448672 385432 270565 591669 822718 1238500 329113 1747973 365091 237961 343062 2083736 488377 522154 1085071 1128442 1936675 1063488 614379 873616 396253 2936495 488808 178229 1063885 1448644 1368210 947200 1685443 1671444 266034 1075191 630812 793920 161862 1100210 338573 505850 394862 202946 1211488 770590 846387 785884 514271 659913 1126879 1107850 565654 492527 792298 985563 587882 903565 1402546 540558 553745 401936 226991 791868 835283 564838 638177 1862066 1758963 211040 739264 284383 374585 867912 624122 283597 275348 445563 616741 884199 400513 366671 462660 276818 942519 674611 538202 484209 689160 329453 269639 1037492 671376 2007067 1303955 703521 988330 710168 1914769 572828 1268949 1607939 580576 584309 1057591 492052 715405 1302367 1972921 696874 191281 538139 280788 959395 868816 125795 296347 2255065 739238 672200 906411 557133 1456192 408113 753962 3537304 363572 346516 844732 2504486 731370 1124681 703521 1055188 176944 689374 N-acetylglucosamine/N-acetylgalactosamine 5446228 6198994 5831534 5665550 6440565 6685456 5912043 7113174 5560386 4801457 5526335 5417149 5646186 6804500 7472803 4836795 7770088 6017393 5413478 7536831 6376537 6334009 4500627 6546483 4945783 6159476 8609616 7904518 5023400 4684300 5401382 6744422 5770388 5103641 6365337 9391148 7109150 7208025 5599490 3951697 4498746 4711214 5407318 6390210 5688438 5862704 7119924 7071694 5369998 6121472 6073151 6567525 4280285 6756861 5206027 5427210 7310995 4490506 5766672 4656072 4400070 5791369 5722787 4477440 5918398 5221524 4702972 6020319 8190050 7002727 5458279 5618100 5405446 5355806 5984437 7046422 7211635 6082129 5405818 5136977 6760455 6587778 6994023 5138987 5665668 4593088 5175471 4671442 6781946 6475284 3644981 6274226 6846902 5268647 6553910 7747483 5943176 4650834 6348477 5445484 6679951 4740521 6249787 5721791 6478366 7784814 6351083 6053181 3883665 5803952 5183751 7146934 8144508 7926477 5402679 8331345 8443176 6683171 7549040 9965540 6549031 6148399 5108518 6890503 8051722 8026496 4921510 7963785 6092384 6866670 6810754 5202789 5915930 6141215 6684246 6506510 5737462 6135625 4840368 4612944 6713516 6688681 5710125 5804216 5430173 5871906 6865881 6229729 7028354 5558353 7592138 4580656 6465115 7028655 6343991 7896562 5975523 5285737 4698549 6479209 7841350 6229577 6289571 6618980 5927577 5800644 7329200 6495851 6028826 6190591 6296328 7334273 7414317 6519750 8388997 6524735 7250500 6343069 7707199 5535996 5994854 5462637 4525049 6576019 5014589 4407855 4949842 6177051 5947880 4980160 5748230 4806780 6028826 5187404 5945440 4801707 4541524 N-acetylglucosaminylasparagine 139867 96404 158157 83261 140993 137708 142597 119526 88626 154092 95096 57420 65893 92072 47049 69440 62727 98970 73280 158889 55066 54404 193464 83521 109323 61972 136415 158766 152082 95419 220798 183790 91665 128012 112812 155776 76400 70340 115615 58995 90744 116076 96914 92491 197433 122163 37767 101377 123518 75395 61679 51308 47924 96914 80239 96221 64578 69591 67287 86376 88953 75283 152781 41051 98783 108311 73203 86036 161909 46723 143178 110309 102312 84568 98385 165538 93235 134149 64839 69155 89262 132268 188741 196410 214257 83674 111971 102420 80728 60204 90878 59367 80193 198494 108981 181125 89655 175495 171080 130767 131026 112621 104292 84593 232369 146100 123708 79200 178890 90861 89571 107485 148238 220948 129598 172067 39822 147607 107133 68670 132689 87662 144654 125268 108126 116097 135798 123079 67801 109346 68612 44533 89059 78170 127107 47799 75155 69373 111481 119721 70465 95044 43847 112967 49735 125756 103845 117776 67761 50583 48363 105278 73089 82523 82909 105454 74200 N-acetylglutamate 1172303 1472891 1590678 1091927 2103521 1220836 1076165 2200701 1032907 965635 1388266 1153968 1082945 1261931 2076339 1350320 1737714 1026320 1589255 1301147 1049554 1517181 1366987 2327183 1474409 1692027 1590005 1445514 1059460 1326037 1326784 1330643 1529754 1301592 1660538 1691637 1621972 1947746 1729791 1462865 975055 1273151 1237204 1513994 1279951 964669 1673520 813247 1516759 980892 2014380 1307517 1314163 1130296 1508646 1811858 1242881 1382776 1441281 1285319 979536 814414 1338000 1571145 1328607 874229 1351410 971308 1356719 1358312 1418547 1030085 835117 1192999 1738259 1421690 1539404 1486831 1312137 1180386 1155403 1484900 1443313 5107967 1849067 2467873 2847665 974830 1814019 1860059 1166801 1646898 1927445 1135906 1264899 1287629 1921348 1343285 916649 1811627 1605148 1422014 896186 1491171 821153 613226 1606975 1019681 1791636 1207561 826752 1063132 1505888 870827 1479899 963925 888377 1436137 860775 1081759 1229441 1314357 1352359 2050650 1293892 1410034 1505320 1150229 1017378 1487551 878797 1050215 1962154 1873447 1198744 1013246 1177099 1979460 2480844 2953203 1219308 1796506 1654385 1131185 842708 1251915 1686222 1210689 1452782 1172768 1127011 1313970 1230438 598941 1121552 1130105 1303189 1092257 1290627 1136442 998965 849290 1323996 1352406 1529497 1458839 779292 812321 808037 1359755 2305949 1023726 851033 961528 1199517 1172511 1971497 1420633 1268040 1149598 1139264 1272190 1537763 5880557 2417241 1801188 2197027 835447 1121051 1427555 1360915 1928294 959551 1148163 1314163 1148750 1425896 944664 749543 N-acetylglutamine 2728894 1362520 2994611 2107894 2552059 918810 1716665 2921593 1770276 1347996 1609133 2415090 2125903 1405692 1411140 2233743 2115424 2026746 2247840 2457702 1460860 2602165 1960825 2217531 1941187 1740348 1175464 2421517 2541588 2726796 1906186 1531915 1082737 2919680 5165762 2296388 3129248 2017045 2112482 2415463 1551293 2430280 2273561 1891437 2563279 1937715 1623787 1661521 1917115 2031081 3095901 2177799 2575247 1763735 1285189 1204318 2157318 1094060 3242210 1741875 1634821 1167352 2065616 2085945 1737044 1912609 2167145 1435190 2101780 1311990 1129413 1577997 1924791 1472884 2799061 1704758 2433505 1647933 1531833 1600721 1665375 2396023 1911173 3969927 2336527 2494026 1728604 1580270 2648356 2507815 1629611 1706576 1866960 1669850 1294076 2360738 2463663 1665375 1598250 1526953 1055277 1146350 794133 2980453 1229106 900034 1998998 897970 807818 1206286 2037858 1894657 1374286 1107813 1474011 1742702 969879 2905107 1652885 1176265 1380194 1154389 2408478 3621701 2482072 1631295 885543 1008577 2161407 1588207 1278479 948540 1274158 1408685 3006350 1307448 1302151 1981339 1329477 1918637 1044747 1526491 1669229 1608589 2594066 2300023 1049567 1502517 1092953 850793 906548 1656857 1718643 672825 936284 1058928 2516433 1488663 882194 1375871 1434833 597464 1411635 1917811 1916890 1903887 1421177 966854 1020256 1092976 1287249 1094180 1232506 1746651 2154607 1243759 1445362 1338411 862202 1493509 1731251 1632037 1515122 6992010 2496299 2446249 1053475 1814195 1281796 2446212 1130129 835982 2304144 1563984 1827260 1060796 1370569 1038755 1336036 N-acetylglycine 24714232 28613666 18768772 30796594 22963914 27218804 11261942 13039280 12567930 35532688 41066348 30073618 23228038 17563696 30550566 13922745 16790386 18705538 17202070 19488484 21289112 13241361 33893112 67259208 20925664 14272781 12550624 21562626 19852950 21285740 15258775 17708680 16508235 20466718 23318920 14736515 21059534 30401646 25718054 32515662 27705188 23242212 26442172 13978951 15638038 29868012 25027704 32839962 16826442 33364298 18590340 16768085 11750019 27633060 12655326 16999692 20837432 24640850 52704412 41181572 22503118 17944514 13359703 13301029 18039868 16475506 12595940 25322476 37552936 27991290 31592826 29817352 49202780 42472440 21026888 18508312 42418552 53110988 17741612 31938158 23095976 51801688 30133314 89247976 71598600 66226452 49831412 58992560 33126296 13419355 14114503 17493838 42825600 17160200 16256883 18022816 21958566 45388876 18894990 55201732 65270496 22166568 23924904 32266774 13871708 17109092 41697448 17580966 30212204 17863830 21841240 18906588 44234236 10106728 30092184 40307656 40527908 42763564 18861042 47476352 23766466 57459828 27355572 47895192 18661738 22930088 27099594 18239182 21392618 29268058 27720638 39965384 21373118 34310904 15703688 19731454 18960610 29777102 27888698 35336292 30027794 20157554 46969008 21683754 40312992 29777660 19762476 18910432 37436128 26499110 18137540 16121636 15306708 28468520 10816404 23095976 34681184 40112880 33662436 25740904 14372991 23487220 16928566 17590336 47985168 20165998 13986151 26304828 40493196 23544464 22803032 16078362 15173818 26083604 28065558 35251932 33293220 43350200 51084640 10086966 21360992 35352392 11689227 89709912 20362654 38804596 22156972 28987578 12401504 17216954 35932968 17866528 20273756 21017414 15618776 27758578 14731537 23730422 16957782 N-acetylhistamine 92887 219369 158833 55306 653184 249818 993620 14807676 193729 90138 805853 141330 427018 200539 139948 181409 169089 103214 1295019 444813 178039 794786 110446 33573 94173 822128 122868 62417 261386 48623 170217 198719 253101 158553 585150 1838351 333586 163006 42504 130135 55750 236706 162279 1292767 301308 425060 35907 246564 N-acetylhistidine 618345 351762 560119 687346 1271555 583142 570945 833819 518589 648949 482841 564430 797759 917857 617397 816824 777665 801915 432154 715691 598181 559804 538507 823522 968429 842529 1000219 578967 1024812 643354 760938 684291 978990 876378 669530 1086082 1175921 363129 575963 646706 628847 656747 528437 473158 316468 532556 465704 595642 646214 448233 881685 441753 422520 761122 413544 853233 898656 424892 888287 709224 831388 595998 770237 770467 201512 1341700 326641 725345 462822 978346 718804 775677 685780 1023196 166466 664854 687637 514568 750715 796830 964740 1180773 1163556 654668 953533 457596 616437 276139 576040 531162 775648 774639 840678 467386 486903 543890 234460 240071 343199 1453057 541430 637723 676869 395055 462074 398188 773825 672470 797147 695449 833768 634857 742903 1166375 1254113 403709 522825 263733 646264 745980 969907 1065587 213298 568036 520709 487267 603116 672201 828962 782074 757483 644809 564773 1009554 638939 537046 406579 559920 776485 731239 647822 1583182 735220 599588 541147 457101 553731 598520 927935 490617 336601 537170 821845 479349 642912 1023295 633745 730508 633028 517494 761415 524216 295466 806289 358438 824321 298350 620715 856914 1056169 561680 700401 316847 137700 1269714 590651 455078 918781 642001 846180 867259 714678 643664 964030 671571 601125 628502 932479 596434 597981 624582 1201425 586454 535944 N-acetylmethionine sulfoxide 282279 385881 305402 441452 409345 335396 295912 446517 226907 157076 355305 215392 291173 159995 197812 165616 381616 183807 176581 315703 204606 158700 138995 409265 151129 228982 303058 380536 155394 156300 157871 528998 322130 172400 382202 395305 260566 183078 254237 144623 195829 201556 300370 213313 251003 318279 406236 329085 168319 246585 364012 338638 127954 250335 354560 308190 785218 203213 386333 198191 404716 204613 218750 388813 479836 163385 149319 310977 249204 277181 236319 174471 132386 126421 173687 190290 330096 249880 111488 130684 477004 415358 293194 1702849 469937 340235 609379 283166 335662 348599 292937 110307 299156 254145 129510 193293 496752 234041 225108 364253 669136 475792 117712 540258 333059 450042 216975 275945 455439 615744 425542 250723 948430 319743 277562 494024 193569 688622 524556 450958 568061 552879 348439 828690 243388 636637 401779 501552 227862 360347 321081 319881 736149 277110 495590 308190 401976 612985 444060 972163 551717 357409 1251486 315410 253196 946873 1046216 301847 240370 234966 1439864 437271 669034 147694 246682 472415 354889 176931 316377 517755 292749 381684 657474 238114 1161535 193346 238113 584229 297967 257839 358610 125382 200851 396079 297535 247674 447326 376224 62668 165001 451704 283227 198495 2069294 452604 719450 714091 198319 462447 361175 479478 315104 178749 272929 294160 376725 362506 135204 129671 N-acetylneuraminate 2990327 3883548 2511185 3374536 3994501 2438557 2771634 3659325 2366558 2345701 4048681 2518174 2461251 3037565 2668407 2146642 2448753 1797485 2072046 2524786 2112121 3129487 2271494 4258576 2145748 2972160 4632907 6770553 2212436 3078497 2170290 3099788 4100677 2640725 3400372 3098164 4108177 3346733 2970259 1788202 2733490 2519487 2444165 2744416 4194388 2538101 2662647 3112970 2812381 3185038 4359237 2873464 2314551 3610478 1517662 2627649 5840675 3117195 2609477 2686036 3189115 2619423 2968316 2076982 2925080 3615688 2274308 2785743 3266089 3256035 2703926 2619041 2230162 3030461 3493875 2499272 2934477 2942571 2311301 2493050 2234114 2467139 3117818 2886458 2776706 3297788 2904156 2295706 1972648 4186393 2619796 2017322 2474698 3112691 2669021 3403161 4490709 2642053 2466381 2312459 2282138 2426357 2525459 3505373 1798482 2215203 3336617 1917088 2917854 1725232 2862041 1884820 3774461 2408042 2448603 1955839 2229997 2738839 2257107 2186747 2575513 3331948 2858046 3362864 2248290 3498911 2896640 4371624 2306170 2800254 2000589 2774584 3433055 2772322 2032970 2899102 3301840 2383380 2644881 3125099 2112894 2199907 3186553 2493209 2600545 2210237 2089777 2376426 2795078 2081736 3099560 2850403 4165687 2123708 2004278 2888117 2541388 2895151 2856155 2547390 2237395 2471606 2622821 2600530 2772447 2672734 2115322 2050873 2228961 2649037 2923145 2644881 2098608 2790886 3597814 2568313 2949374 2195271 1708045 3076270 3163117 1723443 3401244 2476492 2164937 4264269 2494822 2632055 2023706 3180275 1861455 2744582 2622763 1640734 2793163 2403135 3146609 1699135 2609944 N-acetylproline 1053084 907780 1387291 1271774 2000828 878759 670404 3605990 1154427 789659 1464828 720936 1135486 986489 1247745 1443240 1777469 1418864 1235311 1615333 715393 1267212 692349 1204599 1441406 1505755 1301706 1521569 900635 1164678 1023905 338475 855058 1371339 1489158 2345579 1675859 951380 1291870 909792 612309 916260 664781 811702 889894 1030911 796667 873563 1087550 2033100 922828 1706701 932508 943684 477464 505334 644008 776629 827086 905625 1061336 1058822 1072079 967678 661000 1709839 736314 1264470 1049261 760293 1467725 859522 771057 1602138 1684057 1207848 721696 906106 641330 953895 923120 661210 828558 870544 1019593 1102246 1062460 1630411 1620705 699258 1466655 1984689 1262056 1733829 799633 914074 390993 785842 725754 646058 917893 805517 838955 614214 438748 952825 1197681 1272120 833017 2133809 1242092 1437883 787283 813008 1012824 1038595 320123 766910 608231 620115 973614 1174550 1028537 899640 996290 1526897 1177633 649134 785793 1187684 692090 1024350 1105100 851553 1375549 882703 958933 886057 1033852 1034217 701699 573610 644812 762839 958501 746047 1064854 824506 995697 981942 721210 499581 2290598 923120 966711 928215 798424 846415 815702 932182 981796 509808 1046960 735275 726220 766318 796061 861583 790445 1003304 848062 851054 917530 1084394 860095 654800 900951 934756 726522 874686 923120 1017247 632860 731621 804028 1099982 1346051 451542 470836 1530185 1066349 764454 550039 1031786 725106 835982 N-acetylputrescine 1479292 1891699 2253502 2138185 3189031 2189315 1765950 3701678 1686745 2311454 2628452 2284952 2327489 2628549 2513994 1763661 2381131 1750998 2477101 2035060 2215216 2579391 1812439 2429164 1876745 2295703 2351581 2201705 2093782 2086070 2029232 1939352 5130829 1704106 2917359 3026100 2587249 2476466 3305829 2020891 2094890 2106306 2176958 2709215 1601836 1921796 2943917 1679540 1262740 1410799 3041709 2061445 2030843 1806771 2415601 2288913 1929143 1983637 1957520 1573553 1402423 1801919 2004906 1937037 2546955 1964486 1911183 2155325 2214638 1824167 2682347 3121953 1961262 2156210 1937353 2315098 2611436 2159543 1570190 2669105 2264125 1570821 3549443 2759905 3039166 3296464 4453422 2306570 4129368 1468078 1972313 1000575 1954942 2479561 1839605 1812898 2595413 1737513 1157150 2226212 3056425 2515786 2390306 4088049 3244387 1911262 3639788 3774436 3468504 3792989 2980935 2547064 5586569 3808394 2668314 2368113 2865959 4235892 6190936 3588452 5051278 2163542 3855252 5689859 2221955 3114950 4953242 2553066 3246400 4574313 3574158 4408571 7752654 2827537 2997461 3270556 4286361 3192624 4941887 3857847 4194105 2926931 2812059 3561229 2518927 3172276 5960252 2922037 3923509 2427282 6497967 2859893 5279556 2486820 2772684 4771995 1777614 3065994 2514404 2498569 2669595 2988803 3216443 3183851 2866171 4739994 8122062 1770154 2741574 4639249 8404899 3187799 1585090 3318372 2838688 3196699 3598055 3413568 2653835 3157466 2706314 2792494 2943659 2868777 4091126 4700765 3735865 1274461 4127567 2114884 2385063 3270279 3163994 2767801 2595413 2894227 4619269 2634609 1931173 N-acetyltryptophan 443762 227750 427177 421353 446760 107630 420522 247606 199630 323985 437140 385509 257871 1191403 398301 318762 292236 160696 303858 571822 281533 1064455 265868 95221 358287 312827 507336 298084 1192865 289409 723688 519856 32350 264912 1061674 519674 621991 330510 366248 279524 444999 909244 367115 498548 237242 189776 130438 225193 115087 908009 405990 401505 201495 363451 307355 304876 327018 186498 266824 342119 707841 100525 531775 1299029 1376776 714533 377918 561263 244306 69237 137857 359666 214316 629888 281545 841576 180809 828023 768553 332211 120132 221073 143176 148560 442995 153904 127420 411585 343752 181638 66402 865698 858617 255022 418898 1072512 154160 510570 89373 129704 264912 155505 376572 189056 414260 166308 150044 138784 161003 574080 465128 286015 371484 253763 288691 129481 152737 3624038 350557 130832 112896 232342 125206 281089 88833 152257 170854 220502 97767 197985 171055 530170 151989 216642 257569 169500 154821 146866 277579 133971 267108 149032 387668 154945 518219 58463 100570 254154 72322 170061 183146 377036 267955 220675 224038 182639 708069 425503 238243 986585 282648 173780 263781 208390 114810 80839 86374 161856 297192 443510 104199 108022 142272 201892 105628 86126 190023 244367 121728 211914 319851 414978 308631 215681 72133 939988 147623 254268 111702 327817 337440 425725 N-alpha-acetylornithine 501407 156147 262480 307904 300058 146790 135438 409693 142481 114154 245900 201622 241535 232676 167313 172459 177099 107137 186686 357783 116721 246302 154060 249697 240584 210297 280006 197100 164801 134795 291370 188168 87096 201883 335729 357043 625660 215895 175105 166395 94147 241342 107226 159033 164310 120273 161796 175671 161313 269733 530595 324816 243747 125691 180582 164928 178351 194317 300960 185329 141122 72478 162552 258044 128002 175983 76377 158025 172217 154532 203624 142107 105355 218644 153018 258639 241818 236046 102651 134271 177410 146059 182716 225219 131587 94425 149860 307280 181971 169609 119205 148232 233301 164704 357398 186725 200728 106790 78627 148232 41423 100355 83255 101950 72000 122065 229392 150841 138541 107640 62800 63352 96820 91671 75240 54688 74324 138481 163423 94044 165617 101313 175501 43661 197779 63714 54709 117590 98387 91191 63222 39415 68676 141503 56945 68287 74992 165738 152570 230044 76177 71538 69491 200137 158162 59387 60970 94436 138566 150404 59130 93699 194169 50970 52693 122947 108019 125612 54535 59934 84316 228004 88050 112183 103111 177193 82592 268535 97577 77441 76186 86867 118433 69507 110396 141587 20694 263119 90603 121331 155994 186121 87849 75718 186790 75946 83636 N-carbamoylalanine 437539 493537 543275 565833 786710 301860 56971 405292 103507 1637391 711098 305810 400751 760847 464995 579072 318032 272347 1019925 301552 334582 83953 104025 528638 942717 990103 948778 295887 693144 195224 435484 196991 1013366 524108 699443 390243 1897952 146855 946221 204305 713218 274279 794145 34267 249191 398896 797089 812193 374810 610835 659917 18351 326130 511559 1263819 919177 274654 193747 429181 544724 829854 1205352 729986 652545 382130 1444257 1255507 292236 506631 321294 160573 650671 306101 227664 1319851 543077 1104053 569885 724151 283610 1242305 315687 485238 525854 105511 707677 593399 1628364 571263 249208 340001 444426 211976 558749 78033 500105 305838 457856 474468 361566 501713 449056 259572 546383 1024397 141162 734302 428890 519417 757484 219438 497690 626995 402859 481657 692833 612157 420294 457821 2008289 375793 784925 468581 455810 210153 632185 86885 732465 498887 64267 260446 1098735 321231 270309 476587 1176253 470811 627391 382459 214889 78548 115997 896523 1274257 422509 739201 374140 386664 385482 645083 562921 1124049 539032 229371 795979 841945 393534 488666 598147 790635 241340 551865 304940 679957 857713 311159 645595 250180 2025913 631766 381608 357737 502520 1361558 648878 512517 713803 536742 501323 686195 698084 229940 266542 402016 224582 922811 971314 193274 553245 713426 554611 487574 N-methylhydroxyproline 256221 432669 1383085 316880 1104143 725091 828496 482911 125461 371704 962494 1278126 722283 2988584 201939 417427 599270 1396148 826188 268118 710966 715717 1907260 122363 383869 117075 578083 943215 867662 409815 913542 146074 1103387 264356 892244 649004 599846 955192 837491 932528 556566 361342 463352 539417 320781 344569 327598 354111 253146 1328396 1407200 586238 703570 1334463 1253451 474551 626289 1036957 491401 1122123 1825462 357277 574242 364956 298039 545293 838228 803332 822233 515822 666930 912297 555759 285436 794419 1352560 249207 547256 613213 719553 1692368 1033037 858599 128215 742413 518270 207103 236190 599846 887045 938876 177009 504554 960693 300055 222415 639626 353535 1139598 5221828 1007947 942510 1008776 906292 1055489 1308304 395959 390304 1732829 525932 1642504 653228 555777 154335 507751 293740 764672 245636 195240 162330 299439 1142272 406921 1223579 478549 664061 599846 841835 1242308 429947 304334 1842995 527338 642543 146947 304269 392637 252990 441488 342667 1054620 442574 991302 401897 769826 715715 372968 1663394 307045 965419 153555 798093 1003754 525640 1469900 1436206 1364554 417770 N-methylpipecolate 298553 476319 870154 389235 507767 597734 766550 864491 458000 584462 537750 1117647 172874 319879 475790 533235 372559 425025 833435 530127 358500 357742 381009 524648 506129 338353 1428360 310989 456030 809798 1230679 956002 202356 352535 358478 470215 507593 365070 211886 865741 417994 373959 256131 243029 421453 638197 269032 761940 487224 407899 556725 362011 279898 675149 490876 213197 474159 382975 402514 344497 893268 457944 267445 573905 615666 1261485 515456 505359 438892 233430 266324 325054 610981 744099 268308 375732 763248 536527 733349 775211 687924 944987 556982 404771 681533 416190 496693 1098443 463230 1641457 347144 353107 337333 405651 739763 1238011 394204 682950 237618 595169 1321142 209524 341953 838373 613230 455750 539080 705521 589609 525151 413787 331214 360765 537477 957500 433529 339115 448270 891423 694503 450219 392425 616102 646118 349377 484626 474311 732997 693512 536376 630340 550490 460828 533811 526002 258807 290965 477545 619431 550452 894052 415620 1031566 504933 684692 N-methylproline 12452874 15600229 13228392 12645494 16912600 9070513 12285085 9935080 66086016 39562984 18107016 4884219 59993688 11747634 5554727 12984876 19389514 13154447 42981204 18340306 63413444 6864560 12960622 7144108 39843308 55012060 14449497 10781289 21171650 6397984 5690798 14931526 133648880 10637650 14984636 10677568 14817929 23029932 21097862 15991743 7218523 6605279 4110377 14256332 7818273 10270657 74249536 11658038 22142114 10373556 50508064 18106636 5941091 5676650 14449470 6880384 4387140 20456916 17596512 17930038 17203920 29817694 10363156 26352568 22020542 13341889 39598644 27549354 28807656 110565752 64044836 21588680 38873468 30466762 40561336 11293262 40923240 50799208 4762780 20351578 17105356 25846484 19656964 45813180 18105418 29207408 32812428 27992088 31244204 12580043 39103984 26709602 21216522 12010603 45806780 12444888 18959964 5325263 23747806 13741462 9434866 14370038 10580902 27880738 18217322 33440584 28052238 37182780 114002032 46681712 22933618 31323622 12619286 3284320 31456096 73391360 13404057 48857076 30905210 17163550 4951109 7968307 13131608 22728580 45458556 41847112 132023512 80709912 18962268 24553500 7363756 7157912 59796872 5746198 11827928 13385015 48374808 18124018 47654980 37304072 5567803 79389896 5847814 34175440 17099328 18957662 61792412 14317501 9650326 13659750 21927894 12410771 11693314 10294207 32459442 6348293 32454190 76354552 9330144 16575511 15511867 54273908 19195488 61210792 10269497 5802924 57324724 18757720 16143830 100042040 34570264 10406671 27495538 19145312 67636224 48567336 12412149 16588745 8053424 20470876 48936836 41341256 44862228 39633584 21710482 40607264 16572463 19350864 20246224 24203144 22258160 17519710 40155484 5983345 18959964 100057912 49681200 81864672 28786042 N-monomethylarginine 1091636 2622345 2433189 3378611 1466059 1644032 2249424 2235738 2356401 1821445 2481788 2682937 1970018 2106375 1388634 1872913 2947444 1691269 1596665 2094326 2049798 2190009 2156671 1800798 1624300 1588476 1700581 1376028 1223221 3060630 2697033 2651414 1448051 1406442 1142437 1600853 2058274 1570757 2256440 1743334 1340949 2151350 1614274 2807056 2264759 2030153 1459558 1343141 1223005 1348883 1461134 1987762 2001684 2869358 2154089 1923247 1425859 1760914 2614017 1916479 1476691 1610268 1867952 1537527 2505213 1657589 1578148 1408079 1827720 1843871 1611452 1599976 1693765 1799878 2091217 2621239 2459447 1427296 2114595 2089843 2254254 1400730 2101271 833762 860782 1825151 1501081 901084 963445 1131085 1359384 1726765 2287502 1823122 1456346 1311172 1336920 3222841 1196910 1344732 1617876 1192084 1106394 1722405 1419865 1318347 1311040 1273910 1963482 1194588 1532982 1418324 1078627 949982 1210094 705258 2136022 1442983 1427251 1683964 1385505 967820 1658376 1019545 1995124 1303230 1355287 1778035 1257277 1070740 1756693 2373893 1342105 872080 2367775 989096 1827755 1637157 1122442 1192964 1088840 1830225 1879547 1304815 1022819 985943 2682350 2914604 1791400 1548604 1299099 1071569 1195973 1875259 1617876 1230181 1270102 1682508 1201647 1139803 1225039 2246237 1496960 1878446 2297377 2206152 1516282 1366091 2615629 1981711 1534629 N1,N12-diacetylspermine 80843 39983 102521 91091 268239 90757 66962 423234 205993 166360 183370 172105 457717 364516 70148 549742 159726 109013 158254 52547 254730 199828 193444 152799 109497 191538 78127 142326 100342 104090 264486 296348 408330 242766 234667 48251 83933 60998 121906 106547 217883 56511 221929 410178 87549 162086 56601 61901 111718 71287 118876 70469 200155 83871 74662 485109 73993 147224 70813 121580 131924 166799 165510 174009 325114 121390 40303 94324 294189 149544 80453 45854 264433 77689 87228 91311 271145 167238 143367 45821 91086 142101 190631 172958 57486 335867 452657 168667 421186 253256 371478 101783 780457 102934 157133 765415 181141 441085 254746 141913 173210 65418 154326 502631 65248 170234 293376 255929 50159 315962 131879 245618 497369 182682 209752 227507 598654 180522 272179 314703 283047 129194 330153 220628 172696 69421 467813 174034 306800 127468 1093633 335757 116995 95977 48861 108291 295672 199403 58389 401462 171512 371430 240287 260379 360605 130515 165840 293033 90418 140031 63347 273845 421212 215514 141507 292528 121252 149949 267743 150947 90950 138044 192274 54156 197708 129235 125524 333266 317087 81565 261919 452406 361380 461170 N1-Methyl-2-pyridone-5-carboxamide 4021818 2113190 4891667 3240460 1635945 4453192 2547934 2472244 2696262 10009681 4732438 3302663 6736100 5262533 17380398 1730679 9855547 1813117 2860163 3186245 9029595 4994162 7535415 5559433 10723145 10313363 4630765 2789455 3147380 3448823 6003508 6337505 3730460 1834331 5686114 3366515 1536761 14338614 4707339 3430368 6343579 6869933 4555362 9255861 4395029 4229527 7900459 2280519 2835494 7883007 7537526 5492459 2825801 7589150 9675347 8845581 4772963 8412716 4636839 7456216 7585226 6193651 3161424 3276476 3644826 1006556 3047845 7089898 4251714 5385031 5197133 2359500 3562513 7290608 2837948 4857081 6762897 4575807 4157920 2820476 3120130 6396843 5405460 2696474 7734867 5022156 4039291 3852689 10909856 1478497 2191244 6156898 7855123 4268759 5190809 5320930 3629576 3581912 7385665 1643895 4103968 1188689 8142024 1447960 1463354 2449885 5392498 851647 716869 3700970 6313134 645651 1220753 1005547 2677126 1401519 1595713 1219120 1414571 3444596 1589450 665809 1228854 616140 2080019 10586333 2242972 255563 5924069 1373189 2348035 1636602 1064943 409053 1112201 4462761 963004 3292276 11843511 776235 1146754 538112 2592011 2705398 1158002 2318122 3080530 6464686 2183006 2834555 5463682 11451858 483082 3366515 6538972 6397656 2048672 6032779 12060371 1221296 5506953 15172162 632177 500878 1728924 388631 2894369 2259861 1545350 877726 945272 1836806 6495300 2321884 2581017 1266459 868461 2642326 5558165 3508814 6434307 2087032 1572513 2136015 2513086 1900461 1956543 1721601 6229299 3558147 1303754 10074435 3102667 7357742 1651716 16882362 6858554 13343047 2851590 N1-Methyl-4-pyridone-3-carboxamide 2709087 1474042 3197677 2353101 1030841 2438861 1483706 1838050 1845608 6462855 2730753 2444832 4771628 2880370 8379303 1182292 6779014 1088945 1845106 1675714 6123009 2580941 4364240 3333585 6341294 7061670 2602049 1636840 1711401 2006852 3096344 3625232 2389420 1390757 3133001 2052433 1111819 8706410 3827577 2582135 3658620 5499503 2586911 5825049 2344630 2235015 5713382 1544882 1794341 4253998 4573394 3269051 1956052 5539269 6793159 5700783 3117775 5691104 2991651 4648525 4391257 3950732 2188104 1363874 2585098 616490 1717559 4228393 2912443 3450874 3110706 1405429 2611905 4985364 1731369 2781645 4384826 2962321 2307185 1787066 1947866 4370153 4230020 2022607 4336197 4139233 3125619 2091966 6813946 884454 1279367 3424058 4567320 2375877 3502516 3250782 2617232 2770171 3592191 943653 2283351 705757 4074291 1032873 972790 1552980 3740092 505465 362309 1782806 4587500 351516 711287 540424 1691380 1007343 837743 875301 1042809 1220088 755779 281612 879810 270883 1197994 6672026 1451387 200485 3394415 1003520 1129999 1140440 505496 175117 491242 2909839 538745 1996606 7379976 453240 622826 521083 1365934 1792887 725555 1441776 1866517 3988461 1642111 2012899 2315573 6684853 312318 1843206 4583912 4345263 1457313 4579385 8752717 981230 2328887 10571270 386078 453045 1172523 259894 1253216 1247317 945992 571742 550794 927654 3745532 1289360 1792507 813080 328971 1421718 3021068 2239297 3549550 1311282 927058 1271339 1366170 1306087 1428588 943454 4051760 2339323 633315 4864602 1865411 3521301 678483 8489544 4225145 7165756 2052433 N1-methyladenosine 1824786 2286734 2913707 2599732 4421549 2586064 2136737 3453353 2491554 2650444 2996271 2499075 2824110 2985621 3697198 2423154 2837733 2817892 2896682 2413496 3465140 2802460 2713763 2979532 2945719 3350413 3251779 2374388 2928393 2366009 2813919 2611837 2944547 2085673 3142522 3687316 2958071 2970837 2782550 2196303 2972439 2421951 3127273 3468562 2566111 2743702 3126482 2524162 2539157 1950919 2995740 2500809 2796452 2946667 2705595 3171810 2680700 2286606 2215147 2008387 1988428 1547342 2601395 1997434 1937950 2637225 2964390 2966012 2590293 2704104 2808872 2989477 2303821 2984465 2580230 3102384 2437363 2531567 2498628 2824337 2848671 2581797 4004669 3460906 3785789 3646934 3455775 2655651 3002368 2359732 2384072 2146653 2681038 2830615 2310849 2159669 2808872 1900471 1602048 2682818 3134472 3289116 2739849 4872993 3112979 3476030 3156604 2849503 1197705 3174687 2721061 2290589 4379196 4297519 2594795 3561374 2592564 921360 2745465 3252536 2598856 2633306 2415425 2926961 2054242 3131975 2693147 2767412 3558392 2374657 3677940 3010956 4135599 3210884 3652316 3088899 2844581 3736805 3161718 3432187 3158260 3905859 4233718 3948043 2903666 3287593 3641133 3231741 3323608 2293598 3246494 2609291 2519177 3344728 2350242 4384426 2844463 2787554 3587095 3163994 3537266 3563612 3047683 2349833 2508653 1136430 2790023 3306277 3619902 2705759 2612590 3237403 2245787 2494716 2607901 2477093 2181929 2824057 1933949 2841070 1603421 2803826 2219593 2583125 4289504 3127213 2473588 1717286 3132752 3271908 2675460 3359757 2214192 2256262 2358011 2960242 4463411 3593059 1940950 N1-methylinosine 1333883 983951 1163708 1276413 1764918 1234615 1050379 1113501 827855 631724 1302009 1126529 1171643 1146745 1400281 1011587 1116778 745566 876475 968043 915326 848567 956254 1363457 1249094 1195102 1273642 1305534 1428673 1316021 1207938 1394951 1818602 939938 1747780 1807208 1788157 1033365 1514458 934824 1111702 1066328 897206 1526797 892621 825698 1311728 1119015 811720 973646 1505091 1120194 1042913 1343164 1185340 1099808 1040508 915599 1228869 937265 978415 1029242 988636 932716 1050610 883392 1057818 1316934 1477240 1347290 1255349 1296796 952311 1152852 787502 1092863 1502943 1583211 1085917 1087203 1092863 1201775 1792547 1321044 828754 916976 2242730 1271510 1141774 792704 954236 814038 1176717 1107623 1232250 1446754 1747625 949738 812001 1189821 1169487 1405143 1093712 156576 967113 1447187 901631 527015 90826 1685001 58460 34113 86944 708920 1392832 875844 888224 114974 665507 700695 1175902 987737 1255333 46526 1141137 93276 1475819 241340 483738 1277033 1237463 642859 190176 929920 1149387 1795336 1320811 824825 1252434 823023 953492 479247 121375 686837 1111836 1032499 68466 428500 1272602 713447 312603 778213 754028 951063 1335986 1410434 314594 1228748 784213 1157962 1584576 1195885 1160284 N2,N2-dimethylguanosine 507622 472024 572226 599366 816376 564669 496114 635958 464485 764487 673649 516744 575688 637541 781573 491440 766342 499987 564321 500338 655300 496959 563256 704421 687708 646876 643860 612155 960244 784494 776115 506416 841982 504022 920269 775457 602336 604426 714573 666335 632106 556671 570055 815100 443060 530744 689381 596345 419500 527467 667979 497425 545654 764922 765708 546635 662287 487363 628095 589086 503989 399190 497208 484110 497527 386969 446492 725217 858228 609961 736672 854624 653849 668704 493227 592838 931348 955687 560769 737703 781981 981731 1081216 876104 1277866 1044713 1375469 996580 1016996 399190 384046 573183 562218 630773 617868 717719 640872 482393 397285 766697 1230174 618938 798524 1164642 1034200 756465 950646 116508 919899 713736 423304 595372 609075 1107925 778733 603881 568348 960161 314388 489971 960197 669429 536932 1286576 360405 759239 817637 401915 945845 505940 577779 740966 619662 1011073 915126 780752 1025758 508561 578922 997173 999156 1097234 578572 689032 1504728 1124831 830513 1158533 512215 923261 146162 712533 427959 1340841 1021355 1240261 845132 684902 703724 673671 544388 749055 681749 480082 893820 826539 941560 667254 770829 662880 651369 551985 398024 445853 725215 732789 801815 60697 766901 741164 641968 964722 396409 593814 471769 842390 672541 529590 1099238 875893 913426 861137 1333491 1179633 930873 712575 N2-acetyl,N6-methyllysine 551185 180948 460302 718224 948684 299966 1385621 189150 344050 115099 241726 249404 35738 695741 43969 179314 496396 411093 468933 307715 777784 485564 118025 925513 722282 50884 55451 331973 646232 577954 66505 171156 273971 475197 113960 807766 230238 725492 821906 116659 171173 269038 952783 829553 714297 94788 215411 191909 274019 143985 966374 391070 290763 143929 1330351 657743 837556 131960 98706 322748 610014 486167 452000 221546 351505 275983 310727 210175 266626 394567 317090 655916 310155 294785 121019 147331 415466 308235 551110 374689 131190 325547 398977 408971 555313 1269669 121818 229925 360601 190255 644008 380605 301501 478971 155192 144501 439801 581062 278417 1519777 1085610 85515 103227 1619829 168124 311919 99664 572781 314166 96321 351713 236926 192610 530505 293500 764604 404909 283257 560015 661783 287956 1010377 681442 75107 63146 401679 1391562 567025 179018 275140 314115 652796 199341 907813 380217 742360 739397 200580 168198 533354 1024127 870878 848240 218473 509756 228029 390374 100609 276514 994524 351713 226646 134572 1072979 1075232 825066 84088 336003 340637 221552 551173 721724 784299 258881 480244 303520 247292 250909 458304 351920 995946 697629 408935 350548 187148 326526 778535 485478 357843 245734 206028 357119 437411 224898 382488 1013173 844356 291729 1797799 220810 363504 459392 610087 454845 265662 N6,N6,N6-trimethyllysine 12701273 8562008 11476094 17281272 20376894 11329272 15008924 14877740 9714467 11206000 15267576 11604139 16307175 14032058 14274654 8811474 12304899 8991472 11334280 13293943 12473909 12237235 11065065 14560232 16585853 13435294 17225118 15116136 12563038 11578303 13602686 12428238 11310985 10882373 15252161 17602132 18027928 11785517 9004527 8223662 12879427 11072954 15884430 17308404 12077790 12063166 10693992 12700917 12100627 12240975 20328754 19431432 11756588 10637207 31965716 14990201 13076324 8748891 13142094 7776040 8966304 11806832 11176743 16252851 15342916 14548797 14853450 10489229 17632580 10388425 12472921 13712984 10359282 13758149 8848793 11373006 13539693 15386473 13024955 12000096 13104901 12134538 13127458 17331860 13044497 15004411 12453057 12490868 13896413 10868576 10369575 8113536 12638462 16073464 12123468 12844831 16570595 8694542 9013644 7597075 10011035 10709194 21829950 16126411 10657053 10134701 9348961 10666925 12291635 16240486 13819485 10771393 20162684 12453057 18300946 9017398 14722559 16710978 12760103 11920874 13340453 10639967 9092428 12613716 14869777 13132265 11549189 12078673 10431055 11178568 10306581 9825360 14725010 11802088 11988131 14062774 21046244 13900746 8036185 11256600 11279510 11556946 17968376 14779667 9771251 22843610 11717847 19647316 11977621 12149623 16537620 15427104 11646178 8782451 16664927 14502418 13448527 19938936 12935707 8155355 15813856 18970938 11092442 22283676 11142239 16267604 13035712 11984629 15189792 8336332 11637904 11532658 11845169 16537536 12172043 11113611 12849220 12123200 11156598 21361656 14878228 9782984 9857440 11876697 10487768 13329951 7083682 6971955 12432206 17952014 9347529 16850368 15701208 14800509 12752921 10073879 19134574 15019838 6973608 N6,N6-dimethyllysine 14688714 11370410 11912889 17253458 25208274 13488407 12689105 27933572 9867933 12924480 21297282 13642343 17454966 15914370 18973906 11565458 14899043 13137928 14796429 19802362 14154780 13786311 11005563 15121636 22167612 21926410 19311722 14794973 13472032 18337088 16431551 17539498 27011432 11984869 18028048 21039612 28884108 11309692 19744488 14517003 11361541 12283398 10502486 16672346 12740317 13673067 12801061 14647524 14189712 11875507 20773284 15858289 18705218 12820798 18676096 11316057 24490620 12650283 14932823 8924105 10992359 15477118 12906626 15894891 17269780 12867829 14404366 14551358 19568714 13781171 13326746 17981170 11361945 10839002 11673157 14248373 12035923 17031072 12734846 11375484 11969297 13259504 20974992 20501802 15290057 16184697 18850568 14778221 18239440 16738626 12826083 8067306 11209613 19566716 16246309 15938289 20924714 8799844 12659053 14003235 16614650 11983066 21605382 26550996 14313649 13692993 25371002 14453638 17327638 25913824 16943160 14511409 29903662 18076512 20029854 13367792 24329620 23017726 24337482 17618140 21130440 15933850 11791227 16610249 17305276 20470018 15818972 16464738 12566299 19937286 16096486 15593869 39478660 17081514 16210624 15420271 28274380 13227712 21623156 23036658 13013532 14777888 17668296 18695794 11469661 21701136 12066958 22234548 15258410 15540021 21582244 17120106 22074286 13485189 18710780 12232575 25115708 29395038 22892454 10576739 18451180 26650316 15914370 28530610 15587242 22066854 13672779 21361334 17630814 12162865 17843992 18554596 16131498 15698511 17181592 20313002 15790605 14874711 13777452 17665402 19967462 12935881 20523656 21551146 11774241 13963282 12320118 8512218 16922456 16575725 12026280 19401892 23819358 18659718 15785042 18539834 20353632 16203521 12691847 N6-carboxymethyllysine 254219 119217 144766 143843 97606 413204 56040 126573 31630 229858 152020 196529 132865 202866 102128 68702 345713 253382 26243 51843 272808 83573 79234 230786 108328 46125 117411 46691 511092 256540 67923 166155 91265 76621 86815 96416 113331 309746 150099 108328 55222 151604 136634 115209 154479 172960 185270 131830 61086 155312 44307 119745 54464 89443 225934 62346 255894 50220 137593 147540 66507 46798 33047 75126 102698 55742 19913 17497 38288 134345 35809 24170 30371 115955 143466 277023 219235 88980 104203 38540 727870 341545 27242 122394 4154720 423314 25590 103324 50812 88072 175732 95397 97533 51412 41701 384616 431130 68629 65353 36254 289207 91828 137923 N6-methyladenosine 112808 89870 149944 158857 185514 78663 157576 191688 131447 146137 129677 171255 794430 152477 111110 155123 218843 171560 168672 154728 101659 204852 134994 103384 174494 226552 146455 96745 159111 123588 170879 164806 151814 112156 254700 258390 214666 127142 173884 50548 90978 186692 140215 154274 133021 119669 133962 158927 187407 88776 148262 101527 109484 140967 121268 154915 150290 45515 116947 81664 147191 78659 114536 95049 97783 113249 155689 131891 115229 145267 174368 202807 112196 136632 124330 129742 97352 183467 149647 118123 90105 83034 137353 123030 106633 180640 151743 94605 129342 173886 105475 125676 163726 273632 146830 174351 180525 65747 131604 119771 164652 326114 253736 161929 430662 96688 56032 183430 204565 286354 187123 355165 356361 117683 132217 128721 101958 171455 269369 513724 113260 280785 202232 300236 188633 196313 231977 183374 154855 64343 86629 158790 122583 118029 179690 84604 98253 141590 209575 170590 131649 149993 81847 198276 161498 138429 226724 194881 150757 78924 104330 138388 240641 128888 335262 77495 110799 169305 114940 263094 328646 86068 79994 129688 151675 114713 334966 229731 473300 301813 204564 314506 284432 162662 135675 250010 361125 65819 117097 244882 88076 153124 80846 247284 175691 129013 75933 113571 221819 157728 80035 109001 241958 153631 211197 N6-methyllysine 25417796 22394896 12722697 29541538 34067492 15464628 19581458 104634352 11174076 12955490 37812912 13896995 19190230 19259926 25413490 12930079 11349721 23031886 22627116 23845256 17254852 22319218 14054687 11688175 29636094 28628376 19126816 15322648 14958386 20167522 24584974 21391654 66830804 12286573 14203392 21798538 42145204 12524030 42051832 26515418 8196855 7610869 8480195 20018872 19212762 25594644 11674300 14917658 12217064 19640022 16810588 10338359 27440678 20079602 17937384 11806389 92531664 23077714 30102032 12257431 31482428 31627466 19304280 18968144 24001322 23946658 13960138 26918530 23943626 20104376 17020370 42653000 20685746 11814802 20194072 23883720 10935028 20079602 10266657 11934090 12036898 15387174 14170120 34376704 13418013 14618012 15122811 18902676 34000640 13319935 17174328 13062705 9839270 29603172 27633152 24304298 38146672 10559605 33539182 31076214 30334108 14087318 33701988 38268308 20737970 15835107 72994224 13802219 19367524 50666424 18527164 15448620 24593344 27122136 18388714 12793768 27047734 26251300 29837500 24350930 19802866 22791944 17654234 12520626 27843928 23862824 17575656 21673354 16816514 25330042 28228280 24785066 85159168 19098464 18369954 17816014 41682408 13603198 51699276 44668868 12579518 10907159 15178199 27687096 19227764 27556586 13307541 17665578 14599942 20542776 23143156 13078538 33295382 17342278 23966410 12084076 83369960 40259416 33620924 10926914 34458244 40789192 20034830 26237252 22825600 28996702 13079552 40515480 20820402 16748575 24314324 28167274 20700234 20054828 23861078 34130100 15339438 15855847 21824186 21842968 13767289 17919068 18091282 39115288 12799487 14403072 9847618 13007780 33534258 19523978 16193735 16832208 47386020 17132284 21365426 34099908 22095686 21193390 15508838 nicotinamide 3446514 498767 3658331 4193151 3073940 1361469 5041992 3038032 3753071 1247425 2624203 2379463 1329446 1417162 1127392 2168080 3068495 1646192 1814181 4548089 1252468 1383604 1983215 3397772 633298 815993 2327104 3215148 2364933 1659094 1336637 2832782 3728726 2328704 1575329 3054118 2687579 2214740 978439 1954188 2359893 1643429 1842721 2155878 3174284 2915307 1986231 3572328 2759903 2176039 2868998 2538706 1397589 3018043 382184 2174265 2243732 2451855 3013964 1711677 4250755 3281107 3241924 2969172 3460962 2215870 1401414 2709885 2328560 1993659 1734082 1388211 1370538 2275500 1673243 1539450 3222568 2633010 2051702 1392819 1690125 3380199 2732808 2234822 2414459 2564091 1133611 1104325 1288389 3514636 3680593 2329136 2003264 2173467 1041847 1801105 3306954 2242446 3521241 496252 356885 652617 624543 643094 650260 687587 802276 920434 1031446 545783 30687 475290 1143451 488526 340926 41966 287978 461695 332361 2443063 1529633 490752 386720 2169168 318405 854735 1154788 682211 541288 354096 603469 873237 932834 339662 1433629 405775 86057 349992 233937 457822 429184 528795 1530050 1416457 933989 583907 422735 3731620 358600 582304 801345 1388211 626405 2897433 512507 370006 1714246 728301 478160 411800 611110 34568 1228068 601118 1045855 384531 73771 916705 1314421 960580 963815 510258 196924 1250662 1045218 1238950 105619 609065 499874 809644 976985 362254 483526 476574 645013 3249064 1822159 1485629 1538856 1263808 1173298 1621663 1295944 1553479 1090896 ornithine 404229632 286220832 378714624 519999552 565983232 287106528 312966208 286847168 239850064 203623264 217590016 184263136 255311520 327680320 148233392 286981760 247936480 197412656 254902752 377273088 244233568 256852432 287813280 293462016 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9135889 27718834 11997095 28197354 27702372 42257456 8402186 29252366 10613286 39449216 24666176 19068574 11504662 13289427 17042008 18289342 20772276 19105468 21362734 9550742 52174036 33221486 18283086 phosphoethanolamine 957003 317729 2032615 1449656 838412 294581 591297 3501176 2446514 1399106 4036177 1051282 146368 818465 2196160 302786 438328 382666 228624 402529 204781 2989039 2574119 1415274 403785 620206 1557943 1757390 491940 990162 276171 826688 2128126 496638 399872 679352 896475 982453 327531 717774 1915107 409001 1577463 1015870 358134 616403 227752 2146873 313182 2217411 2638514 1915618 871575 597148 1236583 1200110 1164624 1320462 1137169 1307821 1719770 3332412 3234710 3419521 5090190 1590361 736816 1669632 1017219 1369227 547396 2165985 1858541 1641035 1716442 2008948 1604644 930797 2495313 1112705 285372 1714904 2108041 1520491 843235 1042872 1405421 156321 1113033 453689 782623 606671 1424442 414002 1289153 1142373 949064 556407 2164928 1901693 1816664 1134735 359827 1642931 1089356 773239 1317681 987196 860529 685228 2458820 1132575 479902 877618 3043901 1141555 1456844 1134735 1232719 1049330 635739 269432 498781 1265015 203119 1282837 1552431 1322348 3925757 1621085 676342 1306317 1223717 1225475 592374 3490312 1134735 2131359 1376421 573926 1132067 1617403 907808 2519670 2695698 1616240 484129 429308 3086844 701316 885795 2215226 960603 540743 1895986 picolinate 616924 507112 285569 832497 764052 992494 514412 651292 471488 317091 149846 190260 1868928 695972 336998 421853 369364 1023494 524472 492690 250621 470205 430970 535398 267709 468940 525625 530756 773221 324616 401843 590245 452020 313650 527722 371017 126124 418405 577677 185248 554934 299412 107479 451663 807847 459356 536615 317701 363907 1228163 528702 439818 934043 261346 361167 277030 608628 272239 891431 591946 528282 409485 440709 585621 303708 243809 543099 167677 287999 443693 476876 326897 403260 263675 491399 409372 250268 238891 270517 475915 832805 638175 347724 1162027 559103 446967 351583 1611217 1198322 1387196 1796793 1113110 728049 1190270 1938525 1641193 353155 500021 631293 1445851 833852 906976 1301095 1912142 3591347 530197 1287915 1772153 965553 920426 301954 2035464 829697 1721087 2229660 1202346 434154 1195769 1954512 2794964 500534 827816 2276669 1519440 682684 1174296 3657362 402760 5255121 1084121 942997 892856 592109 547249 702026 2088850 3309519 323417 1456244 401762 592864 1340133 1237077 1497446 2756064 1180532 561514 1818565 2020505 2641311 1874198 3386897 624570 471820 383403 603944 2193418 819056 667994 969839 767247 1669289 574674 621066 476380 1643776 743805 1011221 1020572 488519 421668 233419 1565241 436930 1181549 235522 410267 206124 408113 1396582 532073 280115 309309 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 148832 66759 194079 244198 116685 300489 268201 165134 73115 100515 106872 46674 115968 75323 107863 193288 296453 204328 117056 126958 246920 61086 68841 77040 115597 168878 166298 191405 286402 264564 273966 157876 58780 83410 361850 455477 211035 125237 116367 58160 1026629 92981 93314 50338 164503 131845 98594 114621 119729 103387 104558 130654 65402 70650 124399 60004 163569 78911 65242 107946 77821 38004 72186 38501 68981 123543 46053 105881 61611 107348 265442 105927 142447 70219 281095 114922 193641 63780 84883 156755 318725 184125 81525 84635 95434 175035 92383 305798 74117 72136 163469 79086 90790 91513 100500 126973 79244 143574 153693 224007 196966 35571 124982 37408 126367 114320 170839 142650 149657 150750 54653 213717 179114 73619 106073 187824 447295 278344 183412 197509 135653 126306 401375 83313 50961 99759 47523 134463 80395 131529 111244 378411 136212 58292 83857 130902 263149 55215 75230 51292 196020 117284 120695 136457 128055 128594 80195 61506 108241 84061 36607 87247 111958 125403 111462 65748 110130 64638 134571 115607 53205 60140 73616 124470 56230 121004 41040 94024 111248 pipecolate 33319302 17985648 49680620 111864936 116317456 37818832 116642792 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106805600 60379844 267971232 363387808 41204672 40747040 42301836 60904396 58994116 48966672 302160448 37566412 29973364 62179000 41515028 44065332 66541552 190680384 167200432 46285672 32169044 130736912 117872704 231146608 58587908 29404510 65500348 68376704 194219120 24756926 25957658 214468112 26810908 220598032 79787880 218421648 36075268 217294192 38128708 42423352 33027584 49656628 62231932 283724064 166252048 31274940 484552544 158730000 42366548 24119008 110082120 63868708 18343050 20969502 18184058 201281376 76796216 53895760 17879934 37365908 137416272 61198420 27328700 19207246 38547360 38714112 28105012 19962756 28145756 21126450 21631476 160815968 53278516 272726528 33796012 60498952 107951984 444223488 25384584 22079714 107883464 386921248 38506492 102364592 pro-hydroxy-pro 54759684 42504312 43439660 59330084 40014280 54292336 71634408 54219180 51922488 62385788 89421392 65098112 68826656 55141496 74741144 36202616 40786524 45432828 60812244 56718464 76993488 54145440 43978608 73387016 42531236 55678224 56375268 52807480 87194512 75643840 88617592 57297248 61394612 51084904 82616352 86786056 62238048 68260368 48467080 55100384 60063992 56281196 56054320 76190200 49027028 55182612 59421816 73454720 29860968 59589772 57735844 50058636 69430616 87988632 74811976 55576416 53078248 53095016 56907696 70567248 36639124 55517064 70675248 59301992 70251216 56517792 46611032 54817240 73216168 81105400 72661832 115850080 94892176 63997080 39669848 44161764 98799744 71946800 54636784 58006764 55616408 88782576 105390424 84898384 69056696 89819160 94697632 71356664 80878344 77186752 45738188 49914508 39758684 49329296 48991776 48000008 65293816 56949760 42323620 52043984 72667984 48115268 45324092 40131008 55673816 84377368 48752412 58344768 40025160 55261296 50601476 46299028 40287872 46396004 61475216 51324112 42786696 83624824 45747832 62608264 55571296 26083500 41122136 70439008 32094294 60247656 51131376 32946000 69415944 42728352 64974996 64818944 57054040 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648256 403130 886917 834272 556423 731865 670353 1303981 618907 505159 210751 496011 340435 437155 913626 953235 260594 701623 193774 550343 1038394 1097683 485428 1349284 2045812 882112 1061456 422395 497269 777912 509339 809489 563356 925540 496900 493219 429151 861928 559911 349476 501054 380895 273357 644400 971297 934224 789161 501936 300002 588781 524371 406544 279911 353000 364475 336728 241256 687983 1249894 685790 160123 359770 532043 1200390 1004864 580108 352589 361296 651394 493682 597787 146542 203355 452582 389432 235149 475959 182182 264726 853845 302749 189013 126307 368563 328290 469434 514708 478705 227073 334548 292934 208915 324229 315825 826811 491353 929042 104204 221805 759655 196164 1014444 335795 168193 345923 657671 443064 480163 190134 101691 243036 254252 265173 537972 458117 138674 1930676 42503 685602 279159 635790 206799 propionylcarnitine (C3) 7146371 8795858 8059570 12051306 28299672 22876154 12871624 9515208 15130476 15009110 5812057 5692641 8841281 18860398 21083768 11608954 23413866 7785509 28568872 14541520 20188594 6568613 7167583 8559054 8795325 11562193 11249057 12157266 20609144 12755902 16785188 16344145 26328630 12744029 10673510 21932648 10451058 5845394 43288740 21041454 18626828 15526407 16316502 25615670 12361499 4358671 11327859 7997567 15500366 25227532 13176450 8649835 15870718 16983502 36464344 12986662 26211766 4901891 8794632 6598732 10996217 17261122 24311508 30564024 16741389 7360071 13456137 14719365 7352875 12888931 8186183 13489636 6168243 8194030 7963127 12859274 10201370 5475237 9705322 7487370 18111610 10958570 17478232 6102657 6634980 10026762 9198481 12440190 17351762 20229626 19031620 2823353 5171365 15334782 10972753 18005982 14378013 12019881 13426075 4992072 7347377 6537151 12862475 16126079 18460442 7782389 11988456 21023462 18432714 3441970 3886404 12489183 9020819 13716203 14937335 8830247 17823472 15285078 7060788 9165539 11493839 4888875 9776497 7044005 9802083 9327050 6223083 12465017 10050833 4229296 5041974 6030461 22220622 6451369 25333210 7102127 14869385 11481110 39920612 9301552 22844740 16941564 14087625 11178801 9378435 8982129 14422591 13467054 7659472 10599964 24015896 6636041 13637308 13505050 11627850 7186077 19226556 10729690 7132916 6001044 14627247 35352796 23339528 27559772 9114203 36163656 10192444 10303129 3756830 8647047 15825545 27336148 12169339 15584536 17918744 10516417 13430894 7437190 5713680 21089616 15103177 10483917 24603048 9536945 5901329 7203269 7319374 6530645 12819224 16892832 10527478 4024429 21246466 14370873 11663962 11737641 14795173 18788086 14858816 pyroglutamine 30802276 14791830 14577394 32089136 32093022 21285610 58649232 12011143 63302896 30200380 21741952 31128936 76887288 11655549 14623242 27973854 28437442 42467772 21831904 20294676 28168498 22044726 15490299 26415946 36253772 20563882 67551552 44546000 21202892 24382052 29879538 21747306 22009344 16275369 38967416 29479064 35616568 33297884 19395620 14119893 37948504 14728510 18782928 31295590 38442712 31535010 21883994 70436816 13668906 15068946 21111912 31415544 13986700 20065972 36083164 31706700 70317312 20269014 45150296 31101774 80196288 12117639 28970712 38211912 73999688 16339077 21985694 75032624 23490428 27987888 21385548 28412314 33890604 90264624 57362868 20771450 26242064 29446586 24590870 26275084 28986328 18892432 16540778 29004320 66246300 28560312 35012840 22626888 18392334 15211201 27546996 12902797 21949332 53652988 21743660 38492192 34666096 23874864 26220780 44878728 18664684 15725558 25200044 35102452 20289872 47358500 17338706 26435554 24275340 23722376 22785606 89686896 15093182 10989465 54757392 29336606 27478590 37913852 34574640 20841030 24661320 14963171 19088476 33971272 52119608 28622558 34111788 41888088 19867630 29569160 20412074 21188290 22073704 18645782 20170950 38928300 18420426 20458066 14658096 16946916 19182046 16052587 26199496 34646416 25996892 36699904 20888260 85274752 13365960 30811488 22571500 29889286 12850868 10951129 37974164 34837908 48791316 38681604 30602000 23394138 52402452 10100255 26220780 30931644 26572666 60767072 17938788 72365208 20913714 27212628 16745837 24812092 29146432 47573308 102440648 27082836 18797308 34329516 26423348 19990640 17924798 19169852 17417970 23993108 50974312 16348220 14213719 17564272 13950982 128738336 39276796 56160020 24153042 25248620 65765664 18283682 19150006 11184397 135207616 quinolinate 1042599 446068 965679 869784 1248943 638295 490059 578970 480042 843695 1225315 1060308 1380575 655799 998262 627416 976316 398671 772050 834281 1459946 943516 912373 1949122 1759925 1615698 690833 473427 1262276 1083280 1457185 681723 1555848 786683 874034 2086859 732667 863910 1301655 563495 880611 1480119 750924 1579956 1082869 607635 1436621 416382 1581773 228728 1645164 730202 572437 823995 1036915 586923 541289 684062 1083089 1047966 604057 1220944 1204188 673432 486248 299747 904058 768301 1667417 731766 347726 541899 1031346 672881 645457 914287 1435573 2081799 786888 851104 964876 1707759 860289 1251537 1432380 696303 1575395 938153 838345 641432 862163 761600 423023 519128 1011951 827942 1208087 485436 527369 1070544 971154 1099687 1187373 2503413 1817566 2636139 927859 1526021 1421605 656724 3010768 953486 1405657 1991256 1167331 1929313 990109 3141757 2743568 1371215 1515198 791585 822162 1877370 1527822 2342385 2206916 998973 1260531 2551381 652438 1224221 2178512 1100302 1042599 1325918 1061965 2660869 1174780 1242624 1477810 1059057 3884554 1452219 2402218 894209 1256303 1722563 1364717 550138 2364941 636080 1722167 985539 1144387 2657236 1386488 1820298 1740333 2845763 1430716 1276798 2975488 1616970 1047049 1145935 800057 1481478 1748637 678893 1142130 454499 1324595 844622 1609424 890610 1866238 2123762 838167 807286 1002241 1013096 1084759 1420818 1217003 576870 569070 398156 1649323 1660305 1539314 497120 443015 1038034 1003992 1038148 2393301 497160 380553 S-1-pyrroline-5-carboxylate 939362 764679 1614147 1606640 1504669 1350827 1383555 764379 1414468 1812497 1460712 930121 937205 1289993 1203757 918460 1724746 2031864 724174 1853654 611381 1828673 2719143 1289278 1954744 1255208 1479906 1426286 1618766 1080522 978533 1321669 2228464 1449429 1712716 583198 1149683 943649 1460416 1438108 944393 2417264 1264035 807307 829153 1477741 900685 885190 1124493 1592995 3365601 1403614 1345911 566179 1041827 797072 1350208 816992 1450362 1439085 1425135 583651 1880032 655040 1430714 615188 1303695 1286878 1272145 1312682 1312682 493923 860304 680643 823968 707683 1035319 1716713 2428751 1700358 1156592 1139317 766009 1111979 1175394 767275 557997 1918360 1328196 1907040 1383339 1198470 652387 1016699 1076413 1278940 1521715 1395816 3531745 1047390 867744 699871 1834717 914551 1599782 2168285 1542539 2949496 2006649 1477735 1082736 3120843 1144915 726771 1637856 1325925 1443933 966678 852954 1335497 922332 1796257 770977 1745816 2359861 4532955 673663 1186326 1119039 1603445 488123 822919 2871881 1763236 1954100 1678746 666746 717409 1663559 2361726 1649229 1667137 497773 2093862 1998423 1152198 786461 2272106 1217483 2491087 1000293 2029769 1404328 1599365 10234464 1083199 710814 1018792 1741136 907370 1773048 816602 1149715 1065192 614444 2583350 2258704 1048306 1487945 834342 2230122 S-allylcysteine 652404 1572567 195702 3926074 7912624 583167 215662 130875 169858 446858 94222 456849 190323 372553 67276 258583 1367764 427136 496030 182403 615406 38923 910888 1062626 332750 568109 218642 757288 237864 127766 57156 206219 371543 173683 46788 696109 319382 246877 158755 128172 767319 2605796 60347 346118 247203 114169 543240 510010 4742738 S-carboxymethyl-L-cysteine 166845 142803 127486 219711 142414 127384 176559 83762 103784 167901 175343 216764 124213 39439 159174 185197 165400 117552 170756 114056 149478 165480 64108 313474 168389 139083 96361 288365 139285 220647 137056 144138 88198 235066 129122 178264 127925 151207 151362 198411 184237 116509 285374 255572 220656 109153 138819 205350 133576 183647 174913 103577 147025 237836 222245 175631 35691 142609 79071 184010 185300 241870 181768 176754 100987 261725 173284 67436 109086 136338 129512 133652 50103 137432 150502 109596 163514 142296 131911 234324 49946 115083 154582 82168 104509 103988 100899 277973 140666 86208 134459 214815 161591 170184 98248 121063 142609 145207 198299 110065 247977 259442 344763 160202 212478 227270 107039 323436 128310 48921 60626 166538 123953 167765 63936 70383 93146 136475 172467 193291 84153 237762 83866 120057 422751 127671 81562 182781 98240 91218 188341 162691 158234 354381 186202 141648 257676 76049 177225 86554 170461 288333 206993 38382 59648 166370 175759 238890 42586 63123 72240 41723 352382 60017 156402 78947 94560 44812 94141 129492 301432 107546 81456 103493 70366 231959 168692 55965 37620 149499 230443 126195 46062 201415 103759 62197 225010 146773 48427 S-methylcysteine sulfoxide 20507578 10992335 9660823 18281286 19169044 6640343 37499092 18153112 7418480 19418596 14384065 10641472 12749903 8436421 6088562 9274469 6468443 4943809 6791110 18566176 7661367 7495747 6341249 8860472 8089206 8044831 12414265 10651388 49628456 27924252 100849032 21275914 2587312 11233802 9881029 6847171 8838993 8750643 16824494 9216383 9057467 6853365 8449313 12637338 29244080 7829635 9772973 6649837 29048178 5669169 10649016 19128098 7667076 8436421 5975949 7776097 11473338 7364144 8705835 5737162 10698625 6378766 5485658 3324480 11031175 2270747 6329121 9619696 10718539 3633548 9234852 6435711 8908658 7249143 17072210 7870508 6272466 28300602 40638412 10081726 8860739 6167677 9251568 6854305 7562324 8199756 8711261 9539767 6047942 47311148 8254460 3463731 5974464 6092987 3061419 10284011 14509448 15243807 5249499 6715449 8053825 4564214 36336604 13833779 2559512 10381108 9084842 2562916 10200288 4854027 4915157 16269450 2682841 12948876 9761085 4858281 6608717 4163125 14541451 14267365 5921282 17893404 32118264 4252322 8690045 8255905 6577640 10646882 16633054 5265491 53111788 5984987 12456366 3262919 29887382 33872944 1918260 7000039 6086519 5538408 4076705 17987898 4805317 7535978 8423528 8565696 3440316 6641554 12355175 5887627 3112546 11918113 3849631 4344022 28022416 9817473 6221306 5113163 4630784 18773788 18294298 7223778 2680668 2774338 3723749 3887706 7661059 5421425 23035190 18522364 16292233 14658705 10539048 5161616 12009779 6698568 3728273 11765809 10831223 13689093 8830475 5923898 19083674 17293876 6015449 4306127 4520341 4673102 4341758 9948464 4659176 4949769 71990728 15554744 5515787 2951791 13783256 3245185 8454307 S-methylmethionine 44448 48345 673242 2267121 2881195 37248 4906168 18821180 4670440 13576825 17519816 5782284 50106 4338200 995900 154029 2232152 509248 2915991 4733331 2356462 1711771 5019952 2974879 524548 6381987 6172039 4833495 119612 3630456 1527149 6517671 1580827 3102577 11043893 67986 690001 3794186 1491907 142397 2796560 2473554 140529 1225215 199942 1582771 404306 2410699 1577553 525192 163799 769918 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4453592 5814047 5137234 6924226 4863668 4985689 2211117 9654611 1434595 3246618 1924328 3805053 3995700 3212523 3725775 4012014 3473053 3456745 3085749 1706182 1919224 3847401 4178463 5017484 3062420 6216799 7706286 5501902 4941526 3920005 3209818 1900147 2605323 1453142 2861145 3475202 2686404 5495952 8132508 9732928 2909475 2308233 9358025 6338399 5554735 4175153 5911045 1146967 7155029 4082376 826373 3153466 5979840 2527140 4393402 1020811 4493619 5598311 15446188 4891616 4887411 4218732 1489129 3176299 3721792 1300438 1419873 5390744 2317131 4571376 6821946 1890370 4746627 3296502 5675242 4668105 2128278 638607 4077209 3466373 8073646 6009394 8279333 4948623 3882583 2047071 4576721 4800298 4786225 4730375 5085279 1763592 4953275 8024301 3973196 2332229 2528422 4918130 3131149 4334409 spermidine 93020 92598 212632 112985 149991 218749 157561 280869 140564 103689 179462 127341 189711 169085 262886 51332 87102 157110 48223 224855 199866 338967 307781 207692 203519 171165 49246 131840 110078 308116 95906 211602 97776 176656 60116 248341 64383 142160 43524 126795 241383 229709 230658 89074 88264 134920 151496 204555 62978 222828 127170 66030 72428 114290 309169 49338 159327 87609 251721 249762 119506 54147 75774 59193 76426 225560 183516 170754 97966 46062 73454 88834 75005 67312 90681 310397 166618 85123 870016 57082 246749 278173 198540 205065 46276 76139 29573 57241 39436 34218 50176 32497 40164 45115 70162 33281 50171 44963 93442 181473 77744 40268 80134 47140 53335 46201 36694 73825 108232 33348 157510 105458 135760 58838 95851 55193 48990 77333 57271 39452 54075 77401 46368 60008 278536 122422 54248 76918 51942 76480 67913 77906 stachydrine 41778804 16521198 37386220 20466280 45992700 31266252 40160608 49744140 26590592 283937440 38379164 27318902 54524008 64425888 80026680 61159932 49715276 26419342 107954496 42386892 354339392 56678192 20861158 39386212 34327588 34545688 27320422 21604626 28343644 52501948 50684604 39845116 116373872 18819252 46738952 42579480 75463664 16934092 47068196 32361166 25063468 23685484 164272960 24522074 21180134 104469784 269280480 29682204 236618800 73626248 56204524 52976084 44341020 18441152 64650188 65636460 63979828 38213444 20161024 35372076 48483240 163006288 20945590 33375548 30268814 7801119 62327324 57077708 48083036 42138880 18621012 32136292 15351669 29154278 44000128 73939352 78966712 173133568 92535680 46409712 28605990 16885246 13500431 109997704 177077536 143232592 50307204 57997264 35430508 28852400 66951020 21012378 36213968 28656768 68299520 8231575 195206256 31781442 54103524 32767884 134512848 28807070 70657024 22351574 43120824 58340928 146230080 31152104 412969216 59297252 50375064 146157504 144780656 87444792 144432480 268684640 11562545 70744008 375668192 36158744 39360272 37376072 7123165 149624656 41212604 320305408 686868928 103685360 169692192 338770624 163603952 37942304 53769000 26809026 154468752 61909204 65285200 25101094 29223632 19381792 9334300 24962288 56194452 18508562 80878064 73437184 23860352 38447920 200390976 49693744 130091176 192032416 49436716 4874155 444498944 163782192 12297073 148999648 40054392 46738952 124802128 226241056 9867953 46556168 46174912 21171650 368701824 76757840 36438848 426145888 42441928 25502486 36865496 92820544 71306576 468245856 44622128 129587936 113127256 24620142 20216320 14414081 6460058 116302576 260768320 99093928 23123650 34180544 36410028 73027280 15228024 20505132 71359392 60316988 163580288 92818144 123540888 31106848 13543285 succinylcarnitine (C4-DC) 681172 561742 552547 1032430 884402 389164 934788 818988 469872 737505 635873 435948 619468 627957 460657 646365 797373 877497 615526 568656 741328 528355 282021 609614 545668 440411 845657 658392 656993 641099 875550 918615 1191462 512662 1009713 545868 647331 618638 689152 409057 565582 650506 620279 844641 635922 464592 660511 688997 726896 484776 625444 437234 556398 710619 944267 716946 704542 484038 587881 440716 744040 521589 916411 403203 615034 473238 567522 774205 586806 618710 585737 392281 484772 479030 627057 766373 745230 567410 695031 353002 809881 596934 392596 528993 531711 719372 334474 470605 838117 621053 578908 345557 588639 769018 732569 763216 849962 399989 415504 428484 350019 281820 799847 588684 560229 436166 411686 603798 454679 641680 624503 689299 664491 615526 509210 624522 303466 476464 306909 367025 296971 270971 497674 540016 745713 591189 499675 810319 444857 694135 451470 440854 233505 628756 317224 473413 645332 253127 451759 339783 697725 711451 736319 609837 549092 410575 862123 531835 396657 594531 501733 311905 473850 685828 677561 789043 581188 388183 401031 905337 416265 918717 632964 502207 470173 482112 673926 823994 536295 542727 590286 536499 576671 523451 560448 418851 584668 416144 616324 1258648 448767 447979 399535 597241 495746 330594 437612 660696 608098 255791 284969 609524 570585 983580 77413 726360 304581 684583 sulfamethoxazole 201993584 53573856 134943024 348470 888948 546674048 191939456 109502264 943639 62272708 239214112 4643225 98607864 taurine 165234768 197861008 209500832 192018160 254842368 220168144 214249680 271490912 223332000 133286840 173479936 208643824 141660416 168117392 204196560 154915664 176054768 130045544 145895280 178364448 151947168 187445328 178414080 232447536 148562496 123861920 209784976 257701984 136624160 136672128 140726752 222153616 227817552 184040080 151804096 204831504 185575776 214342864 160276016 131351048 174650528 166057776 200151840 183795296 203549360 212657200 252223168 213940576 157860512 174179728 220848944 190576304 185122416 204532528 166183632 171559872 182486400 166719792 167641696 151760176 160089808 170049424 194388000 226486352 219222576 203307504 136635216 158206704 232034064 170546576 152228128 173443712 153870432 171380320 171277264 175169808 236488128 223636256 177867152 151680800 219948992 225066336 193949664 182287344 175559792 189727072 143824016 139943792 145536240 216832960 196647376 109208624 142659872 205956576 143614720 206545232 222843776 179107584 165475136 151905664 114810304 224496848 101927512 124618528 104292088 84766184 127563320 104043856 119508536 84706392 93122824 148496416 146395856 93728216 146709136 118551584 76553200 87778512 95780280 118094544 154078512 180899136 167880304 145635808 94756608 152594256 137893184 203116544 117523792 103532440 93430176 99915760 89629376 97113872 83016968 76930952 128809424 111031560 152966864 152996656 98013400 133554488 178156576 90940888 95739680 202020128 66860972 133447272 88508160 92511880 131021432 161743424 151760176 91593384 99646512 170722112 99256328 116666888 107350296 106593696 136319536 96065328 119953744 102588768 153124288 107275072 97245896 130691136 145235440 126686296 85146784 148668208 98415304 143895408 128087384 98859792 78247440 157664992 96421448 151839536 108254520 132826760 132223872 139663424 167249952 167895008 115444832 96518336 85387512 206336496 135405408 118531048 136611520 141166736 81372864 84323512 123344184 71521104 78763360 theanine 2656069 120788 3737830 2604895 2523242 8038583 5487217 202892 80469 275251 339847 1052123 1570941 2268169 3017746 3513068 1473875 281392 35528 439921 10441518 1992693 408899 338231 theobromine 5811383 248921 55904 946465 236959 197562 591116 1844375 346940 757783 278995 13738819 525099 489513 11059253 2322023 638648 15680450 361549 5546778 1006428 981992 3463299 4404012 2496241 1495682 1322904 187168 2641077 1721501 336189 3905461 380433 4235404 3104429 2490513 1753712 2489634 7407029 1421008 2153452 7693034 1313941 11041550 1291008 2190124 1346334 951374 1112288 461593 1567937 1849279 2387624 327629 286030 3692228 10205636 1088304 175896 1406756 2227722 theophylline 817690 1474692 264056 108702 128141 202195 189350 473702 368402 4297630 319927 208184 1487910 461162 405946 6436334 147700 117295 787394 255139 331599 96854 697732 618693 529409 448994 300451 544885 238727 1979385 551466 426392 415788 529409 748489 291367 329204 1941776 1038280 376683 1267438 1040555 529409 493638 652196 1667884 1411275 1126234 621781 393380 1276915 390877 2204663 801773 424017 538492 293048 184628 54754 341701 798036 1416573 1225187 2244847 1017133 1129830 751728 417760 244412 1382968 553078 324736 608304 thioproline 29786544 29083288 23857838 24650316 18967664 23578140 27239836 24474592 29654632 27585238 28007412 25925920 27327452 29361322 28334676 26711020 24896014 29193234 23814630 29638166 25929232 26689238 33187704 23207952 31380612 30213730 23141642 26827112 32467046 29218402 28373556 19301106 18653616 32286818 34050256 44453688 44638132 27603230 20865188 26864656 30216002 32341620 31109144 30548974 35380744 29383420 28139660 29212926 27558740 30708826 35106816 28700340 27110074 28664644 29724510 26790140 45966832 23764978 26845884 22989626 25983756 29147838 28415490 29468410 28064634 30307834 39499348 34100336 30311572 33349724 26178422 25542852 33523250 25802754 39737600 26196394 25296930 34186984 34067212 33709832 24046958 25244578 20763778 27964666 27889060 32836940 23778312 28343646 24925534 34209436 22008310 21876280 27844278 24069142 27972900 29209072 26103990 28319452 22020998 22294970 21465930 23355456 30766418 35276772 26715224 45056056 14218714 29043874 11831270 26095164 32643694 20557798 29045292 33534566 23110608 22597942 24943792 19559858 29107700 27350380 21300006 18718570 23270754 25999884 21802902 26108502 19475046 16616255 30400894 17376454 34027728 30029474 15824134 33014376 54484996 29443020 31706348 28815080 17717314 22119192 24866996 31309056 33191964 32921344 36752956 26978872 38602532 28085780 35202904 15721542 25683600 24256056 17735372 16892480 26516436 29616094 29051708 13595683 22790776 26845884 27506152 31742612 22620098 18878316 24635490 22635354 31356300 22999036 24489954 15387750 9595098 20776508 18188888 19303238 30044304 27709428 14102382 28508876 28353928 20923744 22256864 26334382 23033500 24036484 26440826 26084136 20958252 17703536 27224636 24611594 21414864 15633957 21631196 24230700 28879850 25924890 19140654 19832950 25993436 threonine 354647648 262430496 287513344 320669376 350213344 202758448 343531072 288086816 275932608 242555744 253322112 205996608 264673712 356774464 174708352 233230384 233558944 256154352 310231936 565673984 241501968 343074176 263112352 333585248 300318432 227639760 266549104 309877952 294096736 219033968 433910144 255952800 141701744 323657280 349450144 352056896 266432336 246149536 135870480 289511808 350076736 253578832 418507936 381863936 277635040 407621280 328316928 279137216 124172904 321632512 289093152 457891168 287562976 344736448 673700800 424491008 397493440 165617824 199881616 211646080 275093216 230272032 584847232 163032608 315975360 272610272 334023328 351738656 221125936 315875616 247158048 355271328 339281696 172500736 239033328 243816464 239213296 411932640 469200000 253344560 355437888 223925712 246529696 237373296 165150928 254453872 213217840 233281632 290594752 403388416 232746480 179244176 285345504 299099456 206516192 312715648 257553152 239122032 248739296 209280496 217624752 236304096 332889664 271546784 174393616 170086784 207302672 178585952 223814240 204314160 289132256 254696176 236896672 217957120 481705760 210380928 297679488 308336160 213275888 172186096 262021488 259366112 180078384 207562416 207398992 172472112 188145856 286988320 215601104 121583696 262356288 176757856 165062048 204985280 555865344 241327040 260289184 384640704 131604416 203250944 147411648 208594432 261154576 245333376 200636288 416355072 222531888 419567264 183272144 239090640 217942464 301884512 176514656 177414720 248464592 248739296 344938624 415375040 195153136 146721552 387147808 293114016 277257792 201027808 185713408 249014000 301024768 323252128 211549568 151263072 229250400 462710176 324219616 294291104 288264768 171186912 205576176 297432768 292308640 605217344 243936448 213737152 166896352 178051968 206971216 217116432 141106416 127377992 124468432 340556384 196230688 163754496 237256528 358924896 240528544 193503392 210199904 139691152 195675072 tiglylcarnitine (C5:1-DC) 96547 197114 100150 150694 216232 182623 843904 111836 210258 160134 336973 199401 257201 85412 73739 174955 163408 317085 140038 171863 79631 302224 249848 351399 140899 89755 105523 324591 142320 254085 296037 92055 368161 355291 217641 248893 206014 165039 321228 218110 266080 203113 58320 455310 286283 155070 165771 169347 221945 177012 240343 228031 215551 306920 211755 225953 129180 139519 215488 271619 274354 90207 120483 292579 259354 188610 345231 210925 346755 166681 186214 307626 335957 100020 483356 217641 103601 137159 372038 318093 248331 277327 387006 100139 135310 102119 109227 189901 89405 264157 259545 87915 388952 183222 285350 253659 365925 414017 163786 581907 137325 932241 133533 205271 248027 194508 546147 110276 247982 244600 598651 299927 200026 766485 159092 149279 532560 472819 227759 379655 176139 336770 134496 278406 372525 152089 427099 142887 52353 353047 329015 224574 335726 408306 228292 339970 97398 217171 166614 122364 437747 313266 92556 307599 162835 430231 106834 229453 trans-4-hydroxyproline 142798304 134377552 105551848 217361520 237150656 111112512 184739552 217938400 172476880 132294896 144490016 220182704 151683472 178930640 150819760 125357232 113793040 215213632 287983040 166829632 162090304 153822752 104633848 199213136 116646856 127955904 175155696 147664080 142466400 132413480 143988208 116833600 107795616 152719440 142798304 167103232 163320320 145465776 113996848 189154976 159839712 183327872 252260336 202155008 117777048 133989512 179126608 177631920 76815192 148081856 186598928 192418016 147491168 154911968 321450784 228930592 140634656 94621352 110463248 112214736 106335680 160758512 163504576 131149280 148247904 92287368 161954400 186034416 179714096 168685920 118211704 189760960 204342016 116682096 107009752 133679424 150705776 163104288 179711136 149380048 154720896 146746384 218744928 127434896 139603360 150373744 148920912 105767928 171079936 350182432 106838136 111503968 109454432 168765456 195523872 135096768 162594400 121047528 112068648 113693432 130385632 74120936 146606176 111629664 120015872 98831760 212959744 101776864 148789904 85924632 161076288 143130224 256440128 153066480 148262720 124593696 151178336 201858288 133740288 89849024 169301792 137541328 141175584 134689344 131842216 106210048 190708960 164799168 137299552 160202880 134755408 128219232 104605264 99284776 128927968 109530848 144103728 113717720 196650928 94408656 103370920 125092464 131628960 166817776 113825528 128215568 84786632 153727536 151428352 182662032 157227344 93338584 105855552 132500512 111877024 115674848 131258944 158139920 98135312 107820504 198251216 133329112 93168576 179702784 166165760 136457072 174150352 129114864 121944184 210301552 141242544 241196128 123878448 153145136 235008848 140675728 134784736 104674952 222886512 257635568 163390784 135814576 162847680 116058640 118068520 92891760 183566800 86870080 79271872 114045840 139237456 97019856 172333584 246461440 110086856 95426176 158122272 116549736 124818032 trans-urocanate 1361932 2887045 2125971 3884909 1394416 2522711 2268033 2526228 1207003 1898438 5884705 3922428 6384440 3040120 8674150 4439239 3261306 4251301 2257162 4019921 4089083 3910821 2507309 3152326 2783033 2307619 2785125 5963733 3859540 2465342 4091421 3464189 1781713 1754668 6362209 4747987 1615825 2875040 1971244 1485275 3464272 1996832 2882983 2574396 6120557 1144308 1905424 1715291 3531641 2611594 2777988 3479813 3646266 7621964 2760985 2724440 5613550 1478175 4900700 2071630 60953228 2221437 3916829 2696855 5463516 3134737 2196255 3048345 3117942 3894739 3185100 4451343 4055056 1746751 2748008 1654447 1570712 2293590 4251127 2756936 6847275 2860826 3577315 4329128 6932436 8210623 3197489 4746088 6570757 2233323 1084976 2123040 3266662 2531541 4910546 4249860 2876857 1244971 2840012 1210475 2511275 2876857 2670633 11421729 3241828 1499658 8821421 3046004 1676397 3565590 3663952 2887077 4689568 3272733 3880281 3914920 7554137 5460529 4630252 5803962 1789173 3777257 1616586 5787897 2139784 1422358 3181797 6006147 3123073 8476976 2852444 4173757 1121681 2170750 1960041 7198428 1450467 2761797 2802248 2257013 2370107 6353720 2102946 3174073 3145962 2234977 2183584 4354673 2682742 2761496 2564139 1978797 2888999 2186399 725612 5536467 3202476 3316000 2259608 1143436 2888984 2494038 2523831 2549719 4584130 1978148 3354374 3469847 4127275 1729650 4895304 4465128 2518725 2637472 11860600 1585003 1668981 1340106 2326257 1449432 1941952 1149722 6162268 3316435 3419531 3827822 1484388 2768731 3853240 2878674 2421122 2737725 2695141 4125666 1460476 1661077 3197798 2887728 1085078 trigonelline (N'-methylnicotinate) 9440980 13303386 13061060 55611508 174856336 8288877 160160464 54462696 10509439 67654800 58704144 6780613 33224342 84166952 80654016 12381872 43143544 27451820 12131441 14824310 8460645 47633776 30309748 8930848 19841272 17238166 12731250 10209390 151036640 76072984 277697664 119078304 7740773 23253476 13395060 60730100 83654960 23908438 78188600 2335574 4329226 14644295 6897419 9022229 27008572 4106279 23055730 2702566 34819380 6767745 88955832 68838248 11254468 4384431 11622026 6142465 37557588 6482616 2481326 26848546 19875970 4904879 4366467 27881570 22224816 27896412 15822267 150330976 11858472 4935132 5396725 30026624 37650544 6368771 18667586 120767520 6776682 163320672 295344544 8502509 10243182 15813554 8429736 9921948 10073569 3608291 26252204 13604114 4167944 102903088 17090018 1874299 14214097 16821184 29686478 84099992 15961687 4302755 13274365 4594941 7165037 15602982 40457800 6124571 10856421 26356648 11486105 3283684 12082886 24542612 11081473 78769744 7161255 15466208 14632856 21189622 8457517 9095507 19872850 37548060 12657446 17542000 32073958 25850128 18830044 30410476 8087932 5424899 22911826 23560146 139434512 12855919 28429482 1560190 63737596 45523168 9888865 5929825 5421118 4363261 4254339 51685164 4483866 19345928 4613161 4469759 2018975 6540932 7926895 8768325 11692864 33521308 1871043 5788808 117602008 39868272 5691774 26047354 12321162 219154816 69303440 11230661 4251342 16236644 15725976 9713236 6681116 7958929 20686778 72047352 168457424 21991772 325928704 2870457 48008768 9472196 9707246 25504174 14644295 14373858 13768615 9649758 51529092 18019778 27182390 1650432 39536204 16629286 14464280 12311506 8317547 6538809 156757536 18998282 2519622 4350746 51257788 3793830 70598376 trimethylamine N-oxide 26246362 23390626 28842728 43308216 52614724 40745676 31158564 31696302 36850136 19042148 28056216 26743842 15301118 21767002 35647492 27121804 48593572 13036742 138030096 30079196 35400068 32687272 10590835 57854708 26452016 50671624 50843432 20829136 34429836 49933392 40892140 47555564 68711608 35064160 41130680 45091336 37965820 14310610 43284972 25243180 38511712 31441858 71045456 21177370 29105652 14369992 47941712 14942396 41435348 35723540 38087960 47384848 28851324 33022688 12248815 39850480 26082018 29674092 41650708 29118928 23577884 42154964 38723400 128770864 50642924 16639719 59512436 35622560 57367640 27378422 30582550 26679292 34805052 33440910 12296189 19486122 29139618 52125776 22520964 55689236 63971624 24427474 39074596 21329982 25205028 36021432 52910560 43645216 42354760 47932820 27642198 13097606 19579186 23174432 33022688 32160946 41006348 18364680 9449887 40746416 48161848 30304626 25200760 33773288 20652552 40042612 45536576 33899520 57182136 15171070 22886518 18318090 8920881 26358786 35555968 25828534 64325880 54337472 31991112 28002698 22569098 38426868 24166660 34962428 39899652 59966436 42923696 22879936 35895540 6358114 33171480 22559562 109089392 20004650 40229308 9609087 96481416 13274531 54391384 40323100 32286520 44988244 44057848 21980914 27447064 19034924 41049660 31814242 27979284 30176108 45937508 35634144 57555092 31218458 49476544 28041072 20427294 37751156 32819380 18963732 29070032 41727716 37744492 41646988 38956300 66187048 35026328 19673930 26713456 43419960 46750812 32678818 25534978 23423802 37938204 17509620 49235820 41979088 35782500 46278084 19452514 21830930 65490540 25667716 25944648 41150640 24487430 17696870 27076428 22616422 22023436 24751016 48663044 105700264 12313770 34985216 42024336 32873896 33144546 tryptophan 304906080 312350080 302334976 306480128 266206656 308415424 225812096 268396224 209228144 259655104 165661696 239825248 267766096 257838432 323815520 236531936 226294048 153622880 250672208 459625920 274715392 317416544 237009600 200761040 306673696 224335120 299336512 105919744 287819808 217126112 262124736 153009360 147394704 245065248 312468832 213878336 364612928 209093584 169916224 274186368 252245360 258436144 269721312 367133024 263726816 301564128 204407872 337168928 224025056 320905056 318698464 404664640 240304864 311908320 482277984 290856096 329374144 120694200 164664704 146284576 237507264 171024352 340319808 137978992 312524160 164388992 349481920 250916784 154864688 297002432 153811104 137602992 300975616 116244152 241753952 315659904 217016240 208035504 257838432 187693232 261638144 184386576 222028432 223517840 141468144 185374384 151154832 178812656 329460640 229671648 196366544 169005776 255528208 307453152 252769616 279343840 265300352 210368256 204597536 131052528 193546992 370052928 318663360 348553984 373023744 211881456 180940768 296780128 373959392 182031424 296395360 377408320 287044192 425958112 365944192 289450272 256021760 345282016 226206048 333169856 315053376 275781120 217190720 178017072 329587552 197494432 222930800 348814080 76852024 189667984 191640976 162599808 269486816 236659248 352688896 262204160 305686400 341826368 195582448 244468032 302516576 203895888 297024736 345093856 261677120 363141792 237055088 319625856 221902128 319291520 368990048 227163184 330570944 272956608 243386112 289362336 362194144 223497120 180662432 236299936 314400224 398134848 432158336 322471136 238997120 435292416 417510496 333308608 179228064 108018424 325940160 129554240 293133152 383031712 295131264 217558448 250546704 274864416 299745792 369515072 272032096 241016208 178355568 344296480 105063240 222075312 114715472 141708480 264721808 319434880 211202304 87422832 170254000 174980768 412301376 170287184 298038816 152946944 138110880 tryptophan betaine 87559344 63458612 62288076 75287256 96487432 78687528 89724224 144083856 114847888 147026896 256579536 206523456 103604648 126610608 180980880 175248336 161695296 97757784 144481328 107627448 137672304 69330376 133117448 139259168 231300768 176172784 97746576 71309912 204840864 215898016 154623760 94583808 166312880 80039080 158627952 157831008 214543760 92170040 154519184 141434544 150035520 130589840 89966792 146964832 80056088 75457640 144699696 101841240 153089856 64082340 203448832 245052736 150004688 203056608 142029920 296665824 244234336 140827136 94807480 94037528 130087296 218825520 86907784 101773032 78755560 121550920 139484576 149973856 99446864 242661456 101537296 141912976 191384784 96823256 100633208 288290144 142221792 80316360 111256320 136818912 172879776 189556368 152552240 147715952 155653488 83408800 261099104 171430144 124434560 169045184 172935568 163915072 308944224 138067872 155684464 59594780 118091248 138678528 111423088 86278936 66338404 81387008 90660752 174259472 143179920 121896056 331259808 296458272 253395136 366345312 239606784 128146496 175587344 186357408 247501952 235326928 124027800 246450608 231564928 149801520 225200288 120595096 179005168 192953680 208966256 217322048 206565744 140561120 251886608 310236672 236982624 163009568 211552720 75240344 190239440 163608256 276317088 150180896 159492976 173222752 196322224 189506816 144380448 177385504 93402856 113182208 113945928 133818520 161738528 116860760 355122848 199562064 223321056 184926288 112142544 398258944 286695872 193063072 119084552 131073480 214971888 281451296 92780400 145082784 132050984 214083472 252101088 146461920 122946128 211243808 172503760 130405816 260736080 137507504 226460624 405432672 151724320 98002128 150004688 194491712 256112528 190144992 87431912 166831424 141675040 78721224 239406624 121353312 142563600 186456928 242462048 138128176 236113424 88179376 236920864 280538272 246814048 400447712 90332024 tyrosine 199087920 176215184 192762912 262604720 330133056 239765536 199575392 240124368 145462320 157444144 137956160 185438032 296977920 223998384 178733904 211804624 236413760 165539184 168030000 344158656 164471568 173025952 149620992 176471968 270936384 190603408 185684336 202131456 170582704 190167184 179424992 193554144 116238144 163010192 313414016 307685312 322199424 187853216 178191552 127788208 131940464 168686112 148967328 187094192 155500080 248950064 152484224 182383168 197719120 150304608 223625184 248783760 216289504 198303760 273333920 204192016 187255712 100899912 135255552 141557904 149009936 163015568 206522064 128861784 251345824 97209992 267793712 198886352 151198896 221024080 184345920 239511088 213767664 132219200 148245104 202717840 186669712 185561184 139890576 163158048 191874144 199787808 188231888 177235184 168499664 167112064 133715624 159873600 218924752 183000720 235673808 127199496 165575920 192400832 143327968 173417296 185561184 113037392 164519008 162397264 155725856 174837712 220335344 308681984 238400144 211507472 185768256 147696336 190312512 149298688 285554656 261102032 218022928 153079952 335628960 210100208 278043168 252307312 208817872 196249440 201889456 188128576 151712544 171718704 240273920 234243776 142441152 164571024 123475536 119256280 129045584 153154672 175983328 202510464 376800608 197339680 232524640 298586304 126348496 175235808 105930632 190965824 162637840 227452944 141995792 289160160 195907504 220201488 166031728 176609152 173593488 201768320 174499904 135253568 223809584 221131792 267181264 225844448 131383056 152907488 201055232 158245248 207977248 246590176 166002736 209811968 224213184 209545392 175377312 151970512 179648608 189933280 226349328 242723488 174464176 157508896 166495120 158404288 185594240 265309728 220565232 181756224 166195712 153733072 192011264 160584000 120118800 127765616 159943360 322956128 151016800 119601896 244308672 207698432 244957632 167860272 236550224 146440704 137062224 urea 413739520 276044064 263178848 264874464 185054896 555135424 246649376 313063840 221009344 249948096 322364288 297769664 224686032 219655104 849994880 139821360 241977712 183183824 340508768 291022912 476268288 174332800 372042624 331429056 446485792 251736608 245025504 130301440 430914176 408199744 408432000 180389584 120008552 214196816 203783712 238039008 189784320 133602112 296456576 234645584 211552624 250539552 276558816 379000160 249259296 188636672 413080736 325871072 172643360 352432960 182768000 334538880 209922752 261819728 490062208 384716576 181771120 353133824 238851680 244017520 157805808 272908000 298528672 183571280 340608352 234640304 649748608 197765104 213737344 233298272 250617088 267729008 298702176 214951744 188719968 218710160 203974624 330355712 248003792 176165248 281757952 235409920 270152416 214442784 276804736 379894304 262134224 245537056 183208400 248511120 259200976 262128160 222512112 174013904 355193696 308720384 197703504 192139984 137028976 343496640 606565888 420991040 512299264 387266816 349012096 459138304 344501600 485835168 456989056 225694416 239924896 336930976 751257984 408420448 303929280 352167936 429645152 835414656 572411328 538419648 487041376 358977696 351047424 427732032 398191296 455196192 358333920 245406464 363452640 459120256 385072992 306352064 490804128 550361536 405365696 257850736 344208768 257757536 437888960 493765952 598305856 385743872 846209024 332367520 409937632 303530208 343626176 330570464 280926976 471116736 350909024 276400800 341583424 249047008 288224128 624442304 291547872 303929280 550223552 308712544 395366016 709416320 377498592 339773088 520188480 445101216 407316800 352097856 321644480 304328320 669436096 238200272 528591872 278476480 362517440 227356272 462438304 358766112 405816672 447494592 474690208 269380928 387987936 373584032 212249520 351734144 225294560 95932896 300626496 268299472 303428416 284108096 271575520 281064128 317727168 424778016 423911072 240863008 195955392 valine 1279604992 1483314304 1223926400 1614711168 1703427584 1611514368 1359557248 1412427264 968269888 1016245952 646373056 1330937472 1290572672 1328868992 2343445248 1145798912 1287674496 848060864 1253695872 1639533568 1246193536 999665856 1047619136 1218774912 1243663488 1214824320 1451330176 970006336 1117380608 941497088 1019001856 1187037440 664081088 997477056 1586488832 1568276480 1849217280 977496832 1025211776 1209884928 1267939968 1120423808 1272280832 1469637504 1088830848 1355608704 1134342528 1240788096 1066289088 1310013184 1319682944 1414142592 515465120 1151137920 1856351872 1399782656 1464097408 960116096 923259648 844779840 730362240 465572672 1354750976 766807360 1269540224 857702592 1297490816 1229221760 1184728960 1335284224 1326222976 993424064 1117793792 1040559872 1203497472 1222738304 1106560512 1209508096 1490301696 1266055552 1281548160 1430452608 1161296128 1089348224 1035095872 1187989632 981516096 1059056960 1338874496 1504744192 1049029888 1064461824 1022879296 1110227968 1031596224 1090470656 1398082560 856220544 1077775872 1197197056 2246456576 1712078592 1785097472 2036176256 1525878016 1368669312 1227373568 1638598656 2248191744 985121472 1512898560 1699080704 2089860992 1584471808 1635526784 1497370368 1991616640 2901443328 1385324544 1792078848 1957770752 1566248576 1166599424 1366658688 1614297472 1287249664 1650745472 1466105984 788412992 1643868672 990161728 1375825536 1362313216 2313986816 1530856704 1272455680 1386126080 1476019840 1487037184 1779319680 1760172032 1310013184 1955380736 1672862464 1044493312 1846201984 1232818304 1496466816 1443796352 1805476480 1589983232 1058825984 2145069952 943161536 1500614272 1167261568 1638301952 1333825536 1722607232 1319539712 1238514432 2301250560 1909107968 1623225472 1504789248 2212093184 1395949312 1713665920 1109501696 1378707584 1154051584 1223460608 1486825600 1917675520 1639598208 1308305280 1918614144 1000154752 2033038208 1650789632 1468204672 1301454592 1044449024 1375892352 968213120 1323393152 917498112 708905088 1037740032 1669229184 1696332416 894578816 1311720960 1337235840 1273847808 1565438592 1448075136 1158792704 728607744 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER_PATHWAY PATHWAY_SORTORDER SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID Retention Index MASS CAS PUBCHEM CHEMSPIDER KEGG HMDB 2-aminooctanoate Lipid 1503 Fatty Acid, Amino 43343 LC/MS Pos Late 100004227 750 160.13321 644-90-6 69522 62727 HMDB00991 4-cholesten-3-one Lipid 2779 Sterol 38125 LC/MS Pos Late 100002227 2520 385.3465 601-57-0 91477 427 C00599 HMDB00921 5-dodecenoylcarnitine (C12:1) Lipid 1564 Fatty Acid Metabolism(Acyl Carnitine) 61769 LC/MS Pos Late 100016069 1135 342.26389 HMDB13326 alpha-tocopherol Cofactors and Vitamins 3814 Tocopherol Metabolism 1561 LC/MS Pos Late 1105 2522 430.37818 59-02-9;10191-41-0 14985 14265 C02477 HMDB01893 arachidonoylcarnitine (C20:4) Lipid 1589 Fatty Acid Metabolism(Acyl Carnitine) 57518 LC/MS Pos Late 100015837 1353 448.34215 arachidonoylcholine Lipid 1631 Fatty Acid Metabolism (Acyl Choline) 53261 LC/MS Pos Late 100009332 1390 390.33666 arachidoylcarnitine (C20) Lipid 1588 Fatty Acid Metabolism(Acyl Carnitine) 57513 LC/MS Pos Late 100015833 1512 456.40474 28639199 HMDB06460 behenoylcarnitine (C22) Lipid 1591 Fatty Acid Metabolism(Acyl Carnitine) 57514 LC/MS Pos Late 100015832 1561 484.43604 28639204 beta-cryptoxanthin Cofactors and Vitamins 3885 Vitamin A Metabolism 57591 LC/MS Pos Late 100001977 2560 552.43257 472-70-8 6384256 4904571 HMDB33844 beta-sitosterol Lipid 2780 Sterol 27414 LC/MS Pos Late 100001033 3054 397.38289 83-46-5 222284 192962 C01753 HMDB00852 bilirubin (E,E) Cofactors and Vitamins 3860 Hemoglobin and Porphyrin Metabolism 32586 LC/MS Pos Late 100001950 1045 585.27076 114-25-0 5315454 4474753 bilirubin (Z,Z) Cofactors and Vitamins 3859 Hemoglobin and Porphyrin Metabolism 43807 LC/MS Pos Late 1090 1840 585.27076 635-65-4 5280352 4444055 C00486 HMDB00054 biliverdin Cofactors and Vitamins 3862 Hemoglobin and Porphyrin Metabolism 2137 LC/MS Pos Late 250 1016 583.25512 55482-27-4;55482-27-4 5353439 10628548 C00500 HMDB01008 campesterol Lipid 2783 Sterol 33997 LC/MS Pos Late 100001269 2873 383.36724 474-62-4 173183 151215 C01789 HMDB02869 carotene diol (2) Cofactors and Vitamins 3882 Vitamin A Metabolism 57636 LC/MS Pos Late 100015967 1904 568.42793 carotene diol (3) Cofactors and Vitamins 3883 Vitamin A Metabolism 57637 LC/MS Pos Late 100015968 1948 568.42786 cerotoylcarnitine (C26) Lipid 1605 Fatty Acid Metabolism(Acyl Carnitine) 57516 LC/MS Pos Late 100015835 1649 540.49864 35015992 HMDB06347 cholesterol Lipid 2755 Sterol 63 LC/MS Pos Late 266 2707 369.35159 57-88-5 11025495 4937803 C00187 HMDB00067 cis-4-decenoylcarnitine (C10:1) Lipid 1565 Fatty Acid Metabolism(Acyl Carnitine) 38178 LC/MS Pos Late 100002259 1057 314.23259 98930-66-6 28639171 decanoylcarnitine (C10) Lipid 1562 Fatty Acid Metabolism(Acyl Carnitine) 33941 LC/MS Pos Late 100001251 1130 316.24824 1492-27-9 10245190 8420677 HMDB00651 dihomo-linolenoyl-choline Lipid 1626 Fatty Acid Metabolism (Acyl Choline) 53262 LC/MS Pos Late 100009335 1424 392.35231 dihomo-linolenoylcarnitine (C20:3n3 or 6) Lipid 1593 Fatty Acid Metabolism(Acyl Carnitine) 57521 LC/MS Pos Late 100015840 1392 450.35777 dihomo-linoleoylcarnitine (C20:2) Lipid 1594 Fatty Acid Metabolism(Acyl Carnitine) 57520 LC/MS Pos Late 100015839 1436 452.37343 docosahexaenoylcholine Lipid 1630 Fatty Acid Metabolism (Acyl Choline) 53263 LC/MS Pos Late 100009333 1378 414.33666 doxycycline Xenobiotics 4657 Drug - Antibiotic 39273 LC/MS Pos Late 100003009 829 445.16055 24390-14-5 gamma-tocopherol/beta-tocopherol Cofactors and Vitamins 3836 Tocopherol Metabolism 52473 LC/MS Pos Late 100008998 2384 416.36427 glycodeoxycholate Lipid 2981 Secondary Bile Acid Metabolism 18477 LC/MS Pos Late 100000436 1302 450.3214 360-65-6 3035026 C05464 HMDB00631 heme Cofactors and Vitamins 3858 Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos Late 100001386 1124 616.1762 14875-96-8 26945 C00032 HMDB03178 L-urobilin Cofactors and Vitamins 3865 Hemoglobin and Porphyrin Metabolism 40173 LC/MS Pos Late 100002568 901 595.34902 34217-90-8 5280818 4444369 C05793 HMDB04159 laurylcarnitine (C12) Lipid 1566 Fatty Acid Metabolism(Acyl Carnitine) 34534 LC/MS Pos Late 100001392 1235 344.27954 25518-54-1 10427569 8602997 HMDB02250 lignoceroylcarnitine (C24) Lipid 1602 Fatty Acid Metabolism(Acyl Carnitine) 57515 LC/MS Pos Late 100015834 1603 512.46733 linoleoylcarnitine (C18:2) Lipid 1572 Fatty Acid Metabolism(Acyl Carnitine) 46223 LC/MS Pos Late 100003151 1430 424.34214 36816-10-1 6450015 4952667 HMDB06469 linoleoylcholine Lipid 1627 Fatty Acid Metabolism (Acyl Choline) 57463 LC/MS Pos Late 100015760 1388 366.33666 myristoleoylcarnitine (C14:1) Lipid 1577 Fatty Acid Metabolism(Acyl Carnitine) 48182 LC/MS Pos Late 100006051 1316 370.29471 889848-55-9 90659872 34999520 myristoylcarnitine (C14) Lipid 1567 Fatty Acid Metabolism(Acyl Carnitine) 33952 LC/MS Pos Late 100001270 1350 372.31084 18822-89-4 6426854 4932274 HMDB05066 nervonoylcarnitine (C24:1) Lipid 1604 Fatty Acid Metabolism(Acyl Carnitine) 57531 LC/MS Pos Late 100015846 1602 510.45168 nonanoylcarnitine (C9) Lipid 1560 Fatty Acid Metabolism(Acyl Carnitine) 61775 LC/MS Pos Late 100006620 1003 302.23259 28533402 HMDB13288 octadecanedioylcarnitine (C18-DC) Lipid 1586 Fatty Acid Metabolism(Acyl Carnitine) 61867 LC/MS Pos Late 100005998 1227 458.34762 123233-50-1 28639203 octadecenedioylcarnitine (C18:1-DC) Lipid 1587 Fatty Acid Metabolism(Acyl Carnitine) 61865 LC/MS Pos Late 100005996 1180 456.33197 251981-06-3 28639201 octanoylcarnitine (C8) Lipid 1558 Fatty Acid Metabolism(Acyl Carnitine) 33936 LC/MS Pos Late 100001247 950 288.21694 3671-77-0 123701 110274 C02838 HMDB00791 oleoylcarnitine (C18:1) Lipid 1575 Fatty Acid Metabolism(Acyl Carnitine) 35160 LC/MS Pos Late 100001501 1423 426.35779 38677-66-6 6441392 21403150 HMDB05065 oleoylcholine Lipid 1623 Fatty Acid Metabolism (Acyl Choline) 53260 LC/MS Pos Late 100009331 1449 368.35231 palmitoleoylcarnitine (C16:1) Lipid 1570 Fatty Acid Metabolism(Acyl Carnitine) 53223 LC/MS Pos Late 100009406 1357 398.32649 71464547 28639183 palmitoylcarnitine (C16) Lipid 1569 Fatty Acid Metabolism(Acyl Carnitine) 44681 LC/MS Pos Late 100000776 1425 400.34214 6865-14-1 461 448 C02990 HMDB00222 palmitoylcholine Lipid 1622 Fatty Acid Metabolism (Acyl Choline) 52944 LC/MS Pos Late 100009233 1482 342.33666 151731 133731 retinol (Vitamin A) Cofactors and Vitamins 3879 Vitamin A Metabolism 1806 LC/MS Pos Late 498 1636 269.22639 68-26-8 445354 393012 C00473 HMDB00305 sphingadienine Lipid 2573 Sphingolipid Synthesis 57426 LC/MS Pos Late 100015643 1350 298.27406 25696-03-1 6449795 4952479 sphinganine Lipid 2571 Sphingolipid Synthesis 17769 LC/MS Pos Late 313 1413 302.30536 3102-56-5 3126 3014 C00836 HMDB00269 sphinganine-1-phosphate Lipid 2572 Sphingolipid Synthesis 52605 LC/MS Pos Late 100001876 1431 382.27169 19794-97-9 520 505 HMDB01383 sphingosine Lipid 2722 Sphingosines 17747 LC/MS Pos Late 297 1393 300.28971 123-78-4 5353955 4510275 C00319 HMDB00252 sphingosine 1-phosphate Lipid 2724 Sphingosines 34445 LC/MS Pos Late 100000626 1375 380.25604 26993-30-6 5283560 4446673 C06124 HMDB00277 stearoylcarnitine (C18) Lipid 1571 Fatty Acid Metabolism(Acyl Carnitine) 34409 LC/MS Pos Late 100001391 1485 428.37344 18822-91-8 6426855 21233653 HMDB00848 stearoylcholine Lipid 1629 Fatty Acid Metabolism (Acyl Choline) 57464 LC/MS Pos Late 100015759 1520 370.36797 ximenoylcarnitine (C26:1) Lipid 1606 Fatty Acid Metabolism(Acyl Carnitine) 57517 LC/MS Pos Late 100015836 1607 538.48299 (N(1) + N(8))-acetylspermidine Amino Acid 448 Polyamine Metabolism 57814 LC/MS Pos Early 100016038 3080 188.17574 (R)-3-hydroxybutyrylcarnitine Lipid 1552 Fatty Acid Metabolism(Acyl Carnitine) 43264 LC/MS Pos Early 100003926 2400 248.14925 53481617 HMDB13127 (S)-3-hydroxybutyrylcarnitine Lipid 1553 Fatty Acid Metabolism(Acyl Carnitine) 52984 LC/MS Pos Early 100009271 2340 248.14925 HMDB13127 1-methyl-4-imidazoleacetate Amino Acid 83 Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.06586 2625-49-2 75810 68319 C05828 HMDB02820 1-methyl-5-imidazoleacetate Amino Acid 84 Histidine Metabolism 62946 LC/MS Pos Early 100002910 1989 141.06586 4200-48-0 6451814 4954265 HMDB04988 1-methylhistidine Amino Acid 66 Histidine Metabolism 30460 LC/MS Pos Early 100001051 2755 170.09241 332-80-9 92105 83153 C01152 HMDB00001 1-methylnicotinamide Cofactors and Vitamins 3779 Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.07094 1005-24-9 10129985 8305504 C02918 HMDB00699 1-ribosyl-imidazoleacetate Amino Acid 85 Histidine Metabolism 61868 LC/MS Pos Early 100001668 2006 259.09247 29605-99-0 5117448 4292299 C05131 HMDB02331 2'-O-methylcytidine Nucleotide 3731 Pyrimidine Metabolism, Cytidine containing 57554 LC/MS Pos Early 100010895 2411 258.10845 2140-72-9 150971 133067 2-aminobutyrate Amino Acid 465 Glutathione Metabolism 42374 LC/MS Pos Early 1128 2059 104.07061 1492-24-6 439691 388757 C02261 HMDB00650 2-aminoheptanoate Lipid 1498 Fatty Acid, Amino 43761 LC/MS Pos Early 100004542 3160 146.11756 1115-90-8 227939 198338 2-hydroxyglutarate Lipid 1417 Fatty Acid, Dicarboxylate 37253 LC/MS Pos Early 100002070 958 131.03389 40951-21-1 43 42 C02630 HMDB00606 2-methylbutyrylcarnitine (C5) Amino Acid 311 Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos Early 100001509 3050 246.16999 31023-25-3 6426901 4932320 HMDB00378 2-oxoarginine Amino Acid 390 Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Pos Early 100002784 1760 174.08732 10/4/3715 558 542 C03771 HMDB04225 2-piperidinone Xenobiotics 4029 Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 12144 HMDB11749 3-(cystein-S-yl)acetaminophen Xenobiotics 4571 Drug - Analgesics, Anesthetics 34365 LC/MS Pos Early 100001797 2420 271.07471 5233914 4403253 3-amino-2-piperidone Amino Acid 388 Urea cycle; Arginine and Proline Metabolism 62853 LC/MS Pos Early 100020361 2065 115.08659 1892-22-4 5200225 4371576 HMDB00323 3-aminoisobutyrate Nucleotide 3745 Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2190 104.07061 10569-72-9;214139-20-5 64956 58481 C05145 HMDB03911 3-formylindole Xenobiotics 4125 Food Component/Plant 62863 LC/MS Pos Early 100020219 2736 146.06004 10256 9838 C08493 HMDB29737 3-hydroxybutyroylglycine Lipid 1546 Fatty Acid Metabolism(Acyl Glycine) 62064 LC/MS Pos Early 100020211 978 162.07608 3-methoxytyrosine Amino Acid 172 Tyrosine Metabolism 12017 LC/MS Pos Early 1342 2555 212.09174 300-48-1 1670 8948 HMDB01434 3-methylcytidine Nucleotide 3722 Pyrimidine Metabolism, Cytidine containing 35132 LC/MS Pos Early 100001466 2176 258.10845 21028-20-6 159649 9164190 3-methylhistidine Amino Acid 67 Histidine Metabolism 15677 LC/MS Pos Early 100000042 2670 170.09241 368-16-1 64969 58494 C01152 HMDB00479 3-ureidopropionate Nucleotide 3708 Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos Early 1053 875 133.06077 462-88-4 111 109 C02642 HMDB00026 4-guanidinobutanoate Amino Acid 451 Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.09241 463-003;463-00-3 500 486 C01035 HMDB03464 4-hydroxyglutamate Amino Acid 47 Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.05535 2485-33-8 439902 388936 C03079 HMDB01344 4-imidazoleacetate Amino Acid 86 Histidine Metabolism 32349 LC/MS Pos Early 100001207 2055 127.05021 645-65-8 96215 86856 C02835 HMDB02024 5-(galactosylhydroxy)-L-lysine Amino Acid 107 Lysine Metabolism 43582 LC/MS Pos Early 100002462 2755 325.16055 32448-36-5 5-hydroxylysine Amino Acid 106 Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.10772 13204-98-3 1029 1002 C16741 HMDB00450 5-methylthioadenosine (MTA) Amino Acid 441 Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.09684 2457-80-9 439176 388321 C00170 HMDB01173 5-methylthioribose Amino Acid 353 Methionine, Cysteine, SAM and Taurine Metabolism 62100 LC/MS Pos Early 100002103 790 181.05291 23656-67-9 494 480 HMDB01087 7-methylguanine Nucleotide 3658 Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.07234 578-76-7 11361 10883 C02242 HMDB00897 acetylcarnitine (C2) Lipid 1550 Fatty Acid Metabolism(Acyl Carnitine) 32198 LC/MS Pos Early 100000802 2282 204.12304 5080-50-2 1 5406074 C02571 HMDB00201 adenine Nucleotide 3622 Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.06178 73-24-5 190 185 C00147 HMDB00034 adenosine 5'-monophosphate (AMP) Nucleotide 3614 Purine Metabolism, Adenine containing 32342 LC/MS Pos Early 209 1013 348.07037 149022-20-8 6083 10239183 C00020 HMDB00045 adipoylcarnitine (C6-DC) Lipid 1578 Fatty Acid Metabolism(Acyl Carnitine) 52988 LC/MS Pos Early 100006614 2570 290.15982 71296139 28540385 HMDB61677 alanine Amino Acid 28 Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.05496 56-41-7 5950 5735 C00041 HMDB00161 anthranilate Amino Acid 232 Tryptophan Metabolism 4970 LC/MS Pos Early 1258 2606 138.05496 118-92-3 227 222 C00108 HMDB01123 argininate Amino Acid 417 Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.10297 157-07-3 160437 140984 HMDB03148 arginine Amino Acid 382 Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.11896 1119-34-2 232 227 C00062 HMDB00517 asparagine Amino Acid 38 Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.06077 70-47-3 6267 6031 C00152 HMDB00168 aspartate Amino Acid 34 Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.04479 56-84-8 5960 5745 C00049 HMDB00191 beta-alanine Nucleotide 3709 Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.05496 56-41-7;107-95-9 239 234 C00099 HMDB00056 betaine Amino Acid 6 Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.08626 107-43-7 247 24219951173 C00719 HMDB00043 betonicine Xenobiotics 4141 Food Component/Plant 38100 LC/MS Pos Early 100002153 1012 160.09682 515-25-3 164642 144333 C08269 HMDB29412 butyrylcarnitine (C4) Lipid 1514 Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos Early 100001054 2860 232.15434 25576-40-3 439829 184820 C02862 HMDB02013 caffeine Xenobiotics 3994 Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.08766 58-08-2 2519 2424 C07481 HMDB01847 carboxyethyl-GABA Amino Acid 55 Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.09174 3/2/4386 2572 2474 HMDB02201 carnitine Lipid 1613 Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.11247 461-05-2 10917 10455 C00318 HMDB00062 choline Lipid 1860 Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.10699 67-48-1 305 149278 C00114 HMDB00097 choline phosphate Lipid 1861 Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.07332 72556-74-2 1014 119298 C00588 HMDB01565 citrate Energy 1218 TCA Cycle 1564 LC/MS Pos Early 1124 915 210.0608 77-92-9 311 305 C00158 HMDB00094 citrulline Amino Acid 391 Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.10297 372-75-8 9750 810 C00327 HMDB00904 creatine Amino Acid 423 Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.07676 57-00-1 586 566 C00300 HMDB00064 creatinine Amino Acid 424 Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.06619 60-27-5 588 568 C00791 HMDB00562 cys-gly, oxidized Amino Acid 463 Glutathione Metabolism 18368 LC/MS Pos Early 1224 2947 355.07406 7729-20-6 333293 295316 cystathionine Amino Acid 358 Methionine, Cysteine, SAM and Taurine Metabolism 15705 LC/MS Pos Early 310 2270 223.07471 535-34-2 439258 811 C02291 HMDB00099 cysteine Amino Acid 360 Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1475 122.02703 52-90-4;56-89-3 5862 5653 C00097 HMDB00574 cysteine s-sulfate Amino Acid 365 Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Pos Early 100000808 565 201.98384 1637-71-4 115015 102939 C05824 HMDB00731 cysteine sulfinic acid Amino Acid 372 Methionine, Cysteine, SAM and Taurine Metabolism 37443 LC/MS Pos Early 100002113 597 154.01686 207121-48-0 109 107 C00606 HMDB00996 cysteine-glutathione disulfide Amino Acid 458 Glutathione Metabolism 35159 LC/MS Pos Early 100001437 2465 427.09519 13081-14-6 4247235 3455404 HMDB00656 cysteinylglycine Amino Acid 461 Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 19246-18-5 439498 58762 C01419 HMDB00078 cysteinylglycine disulfide Amino Acid 462 Glutathione Metabolism 62103 LC/MS Pos Early 100002466 2547 298.05259 70555-24-7 17215992 HMDB00709 cystine Amino Acid 366 Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.03113 56-89-3 67678 575 C00491 HMDB00192 cytidine Nucleotide 3720 Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos Early 827 2124 244.0928 65-46-3 6175 5940 C00475 HMDB00089 cytosine Nucleotide 3721 Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.05054 71-30-7 597 577 C00380 HMDB00630 deoxycarnitine Lipid 1612 Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.11756 6249-56-5 134 705 C01181 HMDB01161 dimethyl sulfone Xenobiotics 5050 Chemical 43424 LC/MS Pos Early 100004284 832 95.01613 67-71-0 6213 5978 C11142 HMDB04983 dimethylarginine (SDMA + ADMA) Amino Acid 397 Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.15026 102783-24-4 123831 110375 C03626 HMDB01539 dimethylglycine Amino Acid 5 Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.07061 1118-68-9 673 653 C01026 HMDB00092 ectoine Xenobiotics 5052 Chemical 35651 LC/MS Pos Early 100001635 1980 143.08151 96702-03-3 126041 112069 C06231 ergothioneine Xenobiotics 4225 Food Component/Plant 37459 LC/MS Pos Early 100002154 850 230.09578 58511-63-0 3032311 2297320 C05570 HMDB03045 formiminoglutamate Amino Acid 75 Histidine Metabolism 43493 LC/MS Pos Early 100002500 1880 175.07134 816-90-0 439233 388370 C00439 HMDB00854 gamma-glutamyl-2-aminobutyrate Peptide 531 Gamma-glutamyl Amino Acid 37092 LC/MS Pos Early 100001502 2380 233.1132 16869-42-4 21403151 gamma-glutamyl-alpha-lysine Peptide 521 Gamma-glutamyl Amino Acid 55015 LC/MS Pos Early 100010901 2784 276.1554 65254 58747 gamma-glutamyl-epsilon-lysine Peptide 522 Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2725 276.1554 17105-15-6 7015685 5378717 HMDB03869 gamma-glutamylalanine Peptide 513 Gamma-glutamyl Amino Acid 37063 LC/MS Pos Early 100001843 1986 219.09755 5875-41-2 440103 389104 HMDB29142 gamma-glutamylcitrulline Peptide 530 Gamma-glutamyl Amino Acid 62104 LC/MS Pos Early 100020241 1644 305.14556 gamma-glutamylglutamate Peptide 515 Gamma-glutamyl Amino Acid 36738 LC/MS Pos Early 331 1775 277.10303 1116-22-9 92865 83831 C05282 HMDB11737 gamma-glutamylglutamine Peptide 516 Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.11902 10148-81-9 150914 133013 C05283 HMDB11738 gamma-glutamylglycine Peptide 517 Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 1948-29-4 165527 145071 HMDB11667 gamma-glutamylhistidine Peptide 518 Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.11935 37460-15-4 7017195 5380197 gamma-glutamylisoleucine Peptide 519 Gamma-glutamyl Amino Acid 34456 LC/MS Pos Early 100001485 2940 261.1445 14253342 21403145 HMDB11170 gamma-glutamylleucine Peptide 520 Gamma-glutamyl Amino Acid 18369 LC/MS Pos Early 1268 2991 261.1445 2566-39-4 151023 133115 HMDB11171 gamma-glutamylmethionine Peptide 523 Gamma-glutamyl Amino Acid 44872 LC/MS Pos Early 100001313 2640 279.10092 17663-87-5 7009567 5373147 HMDB29155 gamma-glutamylphenylalanine Peptide 524 Gamma-glutamyl Amino Acid 33422 LC/MS Pos Early 100000491 2992 295.12885 7432-24-8 111299 99868 HMDB00594 gamma-glutamylserine Peptide 529 Gamma-glutamyl Amino Acid 54914 LC/MS Pos Early 100009231 1351 235.09247 5875-35-4 18691889 gamma-glutamylthreonine Peptide 525 Gamma-glutamyl Amino Acid 33364 LC/MS Pos Early 100001314 1750 249.10812 5652-48-2 76078708 21403107 HMDB29159 glutamate Amino Acid 41 Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.06044 56-86-0 611 591 C00025 HMDB00148 glutamine Amino Acid 42 Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.07642 56-85-9 5961 5746 C00064 HMDB00641 glutarylcarnitine (C5-DC) Amino Acid 113 Lysine Metabolism 44664 LC/MS Pos Early 100001593 2393 276.14417 102636-82-8 71464488 21403175 HMDB13130 glycerol 3-phosphate Lipid 2448 Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.02095 29849-82-9 754 734 C00093 HMDB00126 glycerophosphoethanolamine Lipid 1868 Phospholipid Metabolism 37455 LC/MS Pos Early 100001620 659 216.06315 33049-08-0 123874 110410 C01233 HMDB00114 glycerophosphoinositol Lipid 1870 Phospholipid Metabolism 52307 LC/MS Pos Early 100001621 516 335.07378 16824-65-0 167572 glycerophosphorylcholine (GPC) Lipid 1864 Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 28319-77-9 71920 571409 C00670 HMDB00086 glycerophosphoserine Lipid 1869 Phospholipid Metabolism 57404 LC/MS Pos Early 100015666 577 260.05298 3081457 2339060 glycine Amino Acid 1 Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.03931 56-40-6 750 730 C00037 HMDB00123 glycylvaline Peptide 696 Dipeptide 18357 LC/MS Pos Early 100000487 2734 175.10772 1963-21-9 97417 2006926 HMDB28854 guanidinoacetate Amino Acid 422 Creatine Metabolism 43802 LC/MS Pos Early 344 1937 118.06111 352-97-6 763 743 C00581 HMDB00128 guanosine Nucleotide 3655 Purine Metabolism, Guanine containing 1573 LC/MS Pos Early 1099 1728 284.09895 118-00-3 6802 6544 C00387 HMDB00133 hexanoylcarnitine (C6) Lipid 1555 Fatty Acid Metabolism(Acyl Carnitine) 32328 LC/MS Pos Early 100000781 3358 260.18564 6920-35-0 6426853 4932273 HMDB00705 histidine betaine (hercynine) Xenobiotics 4253 Food Component/Plant 62278 LC/MS Pos Early 100004059 2094 198.12371 534-30-5 3083620 2340795 homoarginine Amino Acid 392 Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Pos Early 100000961 2882 189.13461 156-86-5 9085 8732 C01924 HMDB00670 homostachydrine Xenobiotics 4256 Food Component/Plant 33009 LC/MS Pos Early 100001550 1750 158.11756 1195-94-4 441447 390180 C08283 HMDB33433 hydroxy-N6,N6,N6-trimethyllysine Amino Acid 105 Lysine Metabolism 62959 LC/MS Pos Early 100021123 2759 205.15468 hydroxyasparagine Amino Acid 40 Alanine and Aspartate Metabolism 62060 LC/MS Pos Early 100020205 1149 149.05568 97663 88149 C03124 HMDB32332 hypotaurine Amino Acid 374 Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Pos Early 358 724 110.02703 300-84-5 107812 96959 C00519 HMDB00965 imidazole lactate Amino Acid 76 Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.06077 14403-45-3 440129 389128 C05568 HMDB02320 imidazole propionate Amino Acid 74 Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.06586 1074-59-5 70630 63798 HMDB02271 indoleacetylglutamine Amino Acid 253 Tryptophan Metabolism 42087 LC/MS Pos Early 100001731 2185 304.12919 25200879 HMDB13240 indolin-2-one Xenobiotics 4259 Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06004 59-48-3 321710 284794 C12312 isobutyrylcarnitine (C4) Amino Acid 335 Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos Early 100001055 2810 232.15434 25518-49-4 168379 HMDB00736 isocitrate Energy 1222 TCA Cycle 12110 LC/MS Pos Early 1206 773 210.0608 20226-99-7 1198 1161 C00311 HMDB00193 isoleucine Amino Acid 304 Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.10191 73-32-5 6306 769 C00407 HMDB00172 isovalerylcarnitine (C5) Amino Acid 281 Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos Early 100001393 3085 246.16999 31023-24-2 6426851 4932271 HMDB00688 kynurenine Amino Acid 225 Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.09207 2922-83-0 161166 141580 C00328 HMDB00684 lanthionine Amino Acid 370 Methionine, Cysteine, SAM and Taurine Metabolism 42002 LC/MS Pos Early 100003892 1730 209.05906 8/2/3183 98504 88959 leucine Amino Acid 268 Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.10191 61-90-5 6106 5880 C00123 HMDB00687 leucylalanine Peptide 734 Dipeptide 40010 LC/MS Pos Early 100003179 2801 203.13902 7298-84-2 259321 227625 HMDB28922 leucylglycine Peptide 739 Dipeptide 40045 LC/MS Pos Early 100003185 2778 189.12337 686-50-0 79070 71402 HMDB28929 lysine Amino Acid 94 Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.11281 56-87-1 5962 5747 C00047 HMDB00182 methionine Amino Acid 341 Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos Early 415 2526 150.05833 63-68-3 6137 5907 C00073 HMDB00696 methionine sulfone Amino Acid 345 Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.04816 820-10-0 69961 63154 methionine sulfoxide Amino Acid 346 Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.05325 3226-65-1 158980 139840 C02989 HMDB02005 methyl indole-3-acetate Xenobiotics 4282 Food Component/Plant 1584 LC/MS Pos Early 1104 3380 190.08626 1912-33-0 74706 67279 HMDB29738 methylphosphate Nucleotide 3746 Purine and Pyrimidine Metabolism 37070 LC/MS Pos Early 100001805 544 112.99983 7023-27-0 13130 12578 HMDB61711 N,N,N-trimethyl-5-aminovalerate Amino Acid 123 Lysine Metabolism 57687 LC/MS Pos Early 100015962 2186 160.13321 34236878 N,N,N-trimethyl-alanylproline betaine (TMAP) Amino Acid 414 Urea cycle; Arginine and Proline Metabolism 62947 LC/MS Pos Early 100020217 2470 229.15467 N,N-dimethyl-5-aminovalerate Amino Acid 122 Lysine Metabolism 62819 LC/MS Pos Early 100020842 2290 146.11756 N-acetyl-1-methylhistidine Amino Acid 70 Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 193270 N-acetyl-isoputreanine Amino Acid 432 Polyamine Metabolism 62309 LC/MS Pos Early 100020487 2305 203.13902 N-acetylarginine Amino Acid 398 Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.12952 155-84-0 67427 60752 C02562 HMDB04620 N-acetylasparagine Amino Acid 39 Alanine and Aspartate Metabolism 33942 LC/MS Pos Early 100001257 785 175.07134 4033-40-3 99715 90090 HMDB06028 N-acetylcitrulline Amino Acid 401 Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Pos Early 100001577 1010 218.11354 33965-42-3 656979 571213 C15532 HMDB00856 N-acetylglucosamine/N-acetylgalactosamine Carbohydrate 1212 Aminosugar Metabolism 46539 LC/MS Pos Early 100006435 715 222.0972 24139 HMDB00215 N-acetylglucosaminylasparagine Carbohydrate 1209 Aminosugar Metabolism 48149 LC/MS Pos Early 1215 1212 336.14015 2776-93-4 123826 21403014 C04540 HMDB00489 N-acetylglutamate Amino Acid 44 Glutamate Metabolism 15720 LC/MS Pos Early 100000282 1050 190.071 8/3/5817 70914 1266066 C00624 HMDB01138 N-acetylglutamine Amino Acid 45 Glutamate Metabolism 33943 LC/MS Pos Early 100001253 845 189.08699 2490-97-3 182230 158492 C02716 HMDB06029 N-acetylglycine Amino Acid 2 Glycine, Serine and Threonine Metabolism 27710 LC/MS Pos Early 100001006 826 118.04987 543-24-8 10972 10507 HMDB00532 N-acetylhistamine Amino Acid 90 Histidine Metabolism 48679 LC/MS Pos Early 100006123 2287 154.09749 673-49-4 69602 62805 C05135 HMDB13253 N-acetylhistidine Amino Acid 68 Histidine Metabolism 33946 LC/MS Pos Early 100001293 2065 198.08732 39145-52-3 75619 68142 C02997 HMDB32055 N-acetylmethionine sulfoxide Amino Acid 347 Methionine, Cysteine, SAM and Taurine Metabolism 45428 LC/MS Pos Early 100005463 880 208.06381 108646-71-5 193368 167798 N-acetylneuraminate Carbohydrate 1198 Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.11326 131-48-6 439197 10292217 C00270 HMDB00230 N-acetylproline Amino Acid 402 Urea cycle; Arginine and Proline Metabolism 34387 LC/MS Pos Early 100001334 1695 158.08117 1074-79-9 322640 285677 N-acetylputrescine Amino Acid 442 Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.11789 18233-70-0 122356 109095 C02714 HMDB02064 N-acetyltryptophan Amino Acid 215 Tryptophan Metabolism 33959 LC/MS Pos Early 100001254 2640 247.10772 1218-34-4 700653 610602 C03137 HMDB13713 N-alpha-acetylornithine Amino Acid 404 Urea cycle; Arginine and Proline Metabolism 32984 LC/MS Pos Early 100000285 2000 175.10772 8/9/6205 439232 388369 C00437 HMDB03357 N-carbamoylalanine Amino Acid 33 Alanine and Aspartate Metabolism 52340 LC/MS Pos Early 100006369 950 133.06077 77340-50-2 426409 377278 N-methylhydroxyproline Amino Acid 407 Urea cycle; Arginine and Proline Metabolism 62068 LC/MS Pos Early 100020215 1145 146.08118 N-methylpipecolate Xenobiotics 4540 Bacterial/Fungal 47101 LC/MS Pos Early 100005383 1932 144.10191 41447-17-0 11286529 9461516 N-methylproline Amino Acid 413 Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.08626 475-11-6 557 541 N-monomethylarginine Amino Acid 416 Urea cycle; Arginine and Proline Metabolism 43586 LC/MS Pos Early 100004488 2845 189.13461 53308-83-1 132862 117259 C03884 HMDB29416 N1,N12-diacetylspermine Amino Acid 440 Polyamine Metabolism 52987 LC/MS Pos Early 100002132 3105 287.24416 61345-83-3 132680 117134 C03413 HMDB02172 N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins 3786 Nicotinate and Nicotinamide Metabolism 40469 LC/MS Pos Early 100001468 1250 153.06586 701-44-0 69698 62899 C05842 HMDB04193 N1-Methyl-4-pyridone-3-carboxamide Cofactors and Vitamins 3787 Nicotinate and Nicotinamide Metabolism 57584 LC/MS Pos Early 100001469 1260 153.06586 769-49-3 440810 389671 C05843 HMDB04194 N1-methyladenosine Nucleotide 3627 Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.11969 15763-06-1 27476 4573813 C02494 HMDB03331 N1-methylinosine Nucleotide 3603 Purine Metabolism, (Hypo)Xanthine/Inosine containing 48351 LC/MS Pos Early 100001409 1430 283.1037 20245-33-4 65095 513976 HMDB02721 N2,N2-dimethylguanosine Nucleotide 3664 Purine Metabolism, Guanine containing 35137 LC/MS Pos Early 100001412 2210 312.13025 2140-67-2 92919 83878 HMDB04824 N2-acetyl,N6-methyllysine Amino Acid 98 Lysine Metabolism 62954 LC/MS Pos Early 100020546 2168 203.13902 N6,N6,N6-trimethyllysine Amino Acid 104 Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.15976 23284-33-5 440120 140379 C03793 HMDB01325 N6,N6-dimethyllysine Amino Acid 103 Lysine Metabolism 62862 LC/MS Pos Early 100020417 2831 175.14411 2259-86-1 193344 167778 C05545 HMDB13287 N6-carboxymethyllysine Carbohydrate 1214 Advanced Glycation End-product 36713 LC/MS Pos Early 100001768 2500 205.11829 4/3/5746 123800 11217184 N6-methyladenosine Nucleotide 3628 Purine Metabolism, Adenine containing 37114 LC/MS Pos Early 213 2264 282.11969 1867-73-8 1869 92307 HMDB04044 N6-methyllysine Amino Acid 102 Lysine Metabolism 62860 LC/MS Pos Early 100003415 2831 161.12846 1188-07-4 164795 144469 C02728 HMDB02038 nicotinamide Cofactors and Vitamins 3767 Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.05529 98-92-0 936 911 C00153 HMDB01406 ornithine Amino Acid 386 Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.09716 3184-13-2 6262 6026 C00077 HMDB03374 paraxanthine Xenobiotics 3995 Xanthine Metabolism 18254 LC/MS Pos Early 100000453 1810 181.07201 611-59-6 4687 4525 C13747 HMDB01860 phenylacetylcarnitine Peptide 980 Acetylated Peptides 48425 LC/MS Pos Early 100006108 3092 280.15434 287108-21-8 101724840 phenylalanine Amino Acid 124 Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 5910 C00079 HMDB00159 phenylalanylglycine Peptide 792 Dipeptide 41370 LC/MS Pos Early 100003588 2898 223.10772 721-90-4 98207 88678 HMDB28995 phosphate Energy 1244 Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.98418 7664-38-2 1061 1032 C00009 HMDB01429 phosphoethanolamine Lipid 1866 Phospholipid Metabolism 1600 LC/MS Pos Early 1026 700 142.02638 1071-23-4 1015 990 C00346 HMDB00224 picolinate Amino Acid 239 Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.03931 98-98-6 1018 993 C10164 HMDB02243 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid 1579 Fatty Acid Metabolism(Acyl Carnitine) 53224 LC/MS Pos Early 100009407 2773 304.17547 pipecolate Amino Acid 117 Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 826 C00408 HMDB00070 pro-hydroxy-pro Amino Acid 410 Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.11829 18684-24-7 11673055 9847785 HMDB06695 proline Amino Acid 394 Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos Early 480 1603 116.07061 147-85-3 145742 128566 C00148 HMDB00162 prolylglycine Peptide 812 Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.09207 2578-57-6 6426709 4932143 HMDB11178 propionylcarnitine (C3) Lipid 1517 Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos Early 100001162 2590 218.13869 17298-37-2 107738 96904 C03017 HMDB00824 pyroglutamine Amino Acid 51 Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.06586 2353-44-8 134508 118562 quinolinate Cofactors and Vitamins 3763 Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.02914 89-00-9 1066 1037 C03722 HMDB00232 S-1-pyrroline-5-carboxylate Amino Acid 59 Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.05496 2906-39-0 1196 10140206 C04322 HMDB01301 S-allylcysteine Xenobiotics 4350 Food Component/Plant 43239 LC/MS Pos Early 100004509 2690 162.05833 21593-77-1 98280 88744 HMDB34323 S-carboxymethyl-L-cysteine Xenobiotics 4934 Drug - Other 47897 LC/MS Pos Early 100002324 1490 180.03251 638-23-3 1080 1050 C03727 HMDB29415 S-methylcysteine sulfoxide Amino Acid 363 Methionine, Cysteine, SAM and Taurine Metabolism 43378 LC/MS Pos Early 100002927 900 152.03759 6853-87-8 82142 74136 HMDB29432 S-methylmethionine Amino Acid 344 Methionine, Cysteine, SAM and Taurine Metabolism 38127 LC/MS Pos Early 100002183 2555 164.07398 12/7/3493 458 8351775 C05319 HMDB38670 sarcosine Amino Acid 4 Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.05496 107-97-1 1088 1057 C00213 HMDB00271 serine Amino Acid 9 Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.04987 56-45-1 5951 5736 C00065 HMDB00187 serotonin Amino Acid 240 Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.10224 153-98-0 5202 5013 C00780 HMDB00259 spermidine Amino Acid 433 Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.16518 124-20-9 1102 1071 C00315 HMDB01257 stachydrine Xenobiotics 4367 Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.10191 4136-37-2 115244 103115 C10172 HMDB04827 succinylcarnitine (C4-DC) Energy 1226 TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.12852 256928-74-2 71464481 28639166 HMDB61717 sulfamethoxazole Xenobiotics 4654 Drug - Antibiotic 53240 LC/MS Pos Early 100009327 2405 254.05939 5329 5138 D00285,C07315,D00447 HMDB15150 taurine Amino Acid 375 Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Pos Early 512 660 126.02195 107-35-7 1123 1091 C00245 HMDB00251 theanine Xenobiotics 4376 Food Component/Plant 22206 LC/MS Pos Early 100000784 2180 175.10772 3081-61-6 439378 388498 C01047 HMDB34365 theobromine Xenobiotics 3996 Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.07201 83-67-0 5429 5236 C07480 HMDB02825 theophylline Xenobiotics 3997 Xanthine Metabolism 18394 LC/MS Pos Early 100000437 1870 181.07201 58-55-9 2153 2068 C07130 HMDB01889 thioproline Xenobiotics 5123 Chemical 53231 LC/MS Pos Early 100009232 1250 134.02703 34592-47-4 93176 84120 threonine Amino Acid 16 Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.06552 72-19-5 6288 6051 C00188 HMDB00167 tiglylcarnitine (C5:1-DC) Amino Acid 314 Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.15434 64191-86-2 22833596 17216200 HMDB02366 trans-4-hydroxyproline Amino Acid 408 Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos Early 1001 1064 132.06552 51-35-4 5810 5605 C01157 HMDB00725 trans-urocanate Amino Acid 72 Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.05021 104-98-3 736715 643824 C00785 HMDB00301 trigonelline (N'-methylnicotinate) Cofactors and Vitamins 3784 Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.05496 535-83-1 5570 5369 C01004 HMDB00875 trimethylamine N-oxide Lipid 1871 Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.07569 1184-78-7 1145 1113 C01104 HMDB00925 tryptophan Amino Acid 214 Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.09716 73-22-3 6305 6066 C00078 HMDB00929 tryptophan betaine Amino Acid 223 Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.14411 20671-76-5 442106 390633 C09213 HMDB61115 tyrosine Amino Acid 141 Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.08117 60-18-4 6057 5833 C00082 HMDB00158 urea Amino Acid 384 Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos Early 533 700 121.07201 57-13-6 1176 1143 C00086 HMDB00294 valine Amino Acid 326 Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos Early 566 2479 118.08626 72-18-4 6287 6050 C00183 HMDB00883 METABOLITES_END #END