#METABOLOMICS WORKBENCH SinaiMetabolomics_20230122_125919 DATATRACK_ID:3696 STUDY_ID:ST002459 ANALYSIS_ID:AN004013 PROJECT_ID:PR001586 VERSION 1 CREATED_ON February 1, 2023, 8:26 am #PROJECT PR:PROJECT_TITLE Untargeted metabolomics in microsamplers, dried blood spots, and plasma PR:PROJECT_SUMMARY Developing robust untargeted metabolomics methods for DBS and microsampler PR:PROJECT_SUMMARY analysis in ECHO PR:INSTITUTE Icahn School of Medicine at Mount Sinai PR:LAST_NAME Petrick PR:FIRST_NAME Lauren PR:ADDRESS 1428 Madison Avenue, Atran Building PR:EMAIL lauren.petrick@mssm.edu PR:PHONE 9739976141 #STUDY ST:STUDY_TITLE Comparison of metabolite profiles from matched whole blood microsamplers, whole ST:STUDY_TITLE blood dried blood spots, and plasma. ST:STUDY_SUMMARY Venous blood was collected from 54 adult female participants from the PRISM ST:STUDY_SUMMARY cohort. Whole blood and venous blood was aliquoted. Untargeted metabolomics was ST:STUDY_SUMMARY performed on whole blood collected on Mitra microsamplers (VAMS, 10 uL), whole ST:STUDY_SUMMARY blood dried blood spots (DBS, 5-mm punch), and 10 uL of plasma ST:INSTITUTE Icahn School of Medicine at Mount Sinai ST:LAST_NAME Petrick ST:FIRST_NAME Lauren ST:ADDRESS 1428 Madison Avenue, Atran Building ST:EMAIL lauren.petrick@mssm.edu ST:PHONE 9739976141 ST:TOTAL_SUBJECTS 54 ST:NUM_FEMALES 54 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - matrixD1 SampleType:matrix | Sampler:plasma InjectionNumber=14; Hemoglobin=-; SampleName=matrix_22S100; RAW_FILE_NAME=GD_B1_014_matrixD_22S100_ZHP_Reinject; RPPFileName=GD_B1_014_matrixD_22S100_RPP; RPNFileName=GD_B1_014_matrixD_22S100_RPN; RAW_FILE_NAME=GD_B1_014_matrixD_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_014_matrixD_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_014_matrixD_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - matrixV1 SampleType:matrix | Sampler:VAM InjectionNumber=15; Hemoglobin=-; SampleName=matrix_22S100; RAW_FILE_NAME=GD_B1_015_matrixV_22S100_ZHP_Reinject; RPPFileName=GD_B1_015_matrixV_22S100_RPP; RPNFileName=GD_B1_015_matrixV_22S100_RPN; RAW_FILE_NAME=GD_B1_015_matrixV_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_015_matrixV_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_015_matrixV_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - matrixP1 SampleType:matrix | Sampler:DBS InjectionNumber=16; Hemoglobin=-; SampleName=matrix_22S100; RAW_FILE_NAME=GD_B1_016_matrixP_22S100_ZHP_Reinject; RPPFileName=GD_B1_016_matrixP_22S100_RPP; RPNFileName=GD_B1_016_matrixP_22S100_RPN; RAW_FILE_NAME=GD_B1_016_matrixP_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_016_matrixP_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_016_matrixP_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - matrixD2 SampleType:matrix | Sampler:plasma InjectionNumber=202; Hemoglobin=-; SampleName=matrix_22S100; RAW_FILE_NAME=GD_B1_215_matrixD_22S100_ZHP_Reinject; RPPFileName=GD_B1_202_matrixD_22S100_RPP; RPNFileName=GD_B1_202_matrixD_22S100_RPN; RAW_FILE_NAME=GD_B1_215_matrixD_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_202_matrixD_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_202_matrixD_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - matrixV2 SampleType:matrix | Sampler:VAM InjectionNumber=203; Hemoglobin=-; SampleName=matrix_22S100; RAW_FILE_NAME=GD_B1_216_matrixV_22S100_ZHP_Reinject; RPPFileName=GD_B1_203_matrixV_22S100_RPP; RPNFileName=GD_B1_203_matrixV_22S100_RPN; RAW_FILE_NAME=GD_B1_216_matrixV_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_203_matrixV_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_203_matrixV_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - matrixP2 SampleType:matrix | Sampler:DBS InjectionNumber=204; Hemoglobin=-; SampleName=matrix_22S100; RAW_FILE_NAME=GD_B1_217_matrixP_22S100_ZHP_Reinject; RPPFileName=GD_B1_204_matrixP_22S100_RPP; RPNFileName=GD_B1_204_matrixP_22S100_RPN; RAW_FILE_NAME=GD_B1_217_matrixP_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_204_matrixP_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_20P_matrixD_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC1 SampleType:PooledQC | Sampler:LQC InjectionNumber=17; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_017_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_017_LQC_22S100_RPP; RPNFileName=GD_B1_017_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_017_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_017_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_017_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC2 SampleType:PooledQC | Sampler:LQC InjectionNumber=18; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_018_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_018_LQC_22S100_RPP; RPNFileName=GD_B1_018_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_018_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_018_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_018_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC3 SampleType:PooledQC | Sampler:LQC InjectionNumber=29; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_029_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_029_LQC_22S100_RPP; RPNFileName=GD_B1_029_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_029_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_029_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_029_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC4 SampleType:PooledQC | Sampler:LQC InjectionNumber=40; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_040_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_040_LQC_22S100_RPP; RPNFileName=GD_B1_040_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_040_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_040_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_040_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC5 SampleType:PooledQC | Sampler:LQC InjectionNumber=51; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_051_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_051_LQC_22S100_RPP; RPNFileName=GD_B1_051_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_051_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_051_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_051_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC6 SampleType:PooledQC | Sampler:LQC InjectionNumber=62; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_062_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_062_LQC_22S100_RPP; RPNFileName=GD_B1_062_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_062_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_062_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_062_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC7 SampleType:PooledQC | Sampler:LQC InjectionNumber=73; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_073_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_073_LQC_22S100_RPP; RPNFileName=GD_B1_073_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_073_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_073_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_073_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC8 SampleType:PooledQC | Sampler:LQC InjectionNumber=84; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_084_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_084_LQC_22S100_RPP; RPNFileName=GD_B1_084_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_084_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_084_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_084_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC9 SampleType:PooledQC | Sampler:LQC InjectionNumber=95; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_095_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_095_LQC_22S100_RPP; RPNFileName=GD_B1_095_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_095_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_095_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_095_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC10 SampleType:PooledQC | Sampler:LQC InjectionNumber=106; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_106_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_106_LQC_22S100_RPP; RPNFileName=GD_B1_106_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_106_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_106_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_106_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC11 SampleType:PooledQC | Sampler:LQC InjectionNumber=117; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_117_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_117_LQC_22S100_RPP; RPNFileName=GD_B1_117_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_117_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_117_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_117_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC12 SampleType:PooledQC | Sampler:LQC InjectionNumber=128; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_128_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_128_LQC_22S100_RPP; RPNFileName=GD_B1_128_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_128_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_128_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_128_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC13 SampleType:PooledQC | Sampler:LQC InjectionNumber=139; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_139_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_139_LQC_22S100_RPP; RPNFileName=GD_B1_139_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_139_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_139_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_139_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC14 SampleType:PooledQC | Sampler:LQC InjectionNumber=150; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_150_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_150_LQC_22S100_RPP; RPNFileName=GD_B1_150_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_150_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_150_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_150_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC15 SampleType:PooledQC | Sampler:LQC InjectionNumber=161; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_161_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_161_LQC_22S100_RPP; RPNFileName=GD_B1_161_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_161_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_161_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_161_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC16 SampleType:PooledQC | Sampler:LQC InjectionNumber=172; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_172_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_172_LQC_22S100_RPP; RPNFileName=GD_B1_172_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_172_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_172_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_172_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC17 SampleType:PooledQC | Sampler:LQC InjectionNumber=183; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_183_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_183_LQC_22S100_RPP; RPNFileName=GD_B1_183_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_183_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_183_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_183_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC18 SampleType:PooledQC | Sampler:LQC InjectionNumber=194; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_194_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_194_LQC_22S100_RPP; RPNFileName=GD_B1_194_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_194_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_194_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_194_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - LQC19 SampleType:PooledQC | Sampler:LQC InjectionNumber=197; Hemoglobin=-; SampleName=LQC_22S100; RAW_FILE_NAME=GD_B1_197_LQC_22S100_ZHP_Reinject; RPPFileName=GD_B1_197_LQC_22S100_RPP; RPNFileName=GD_B1_197_LQC_22S100_RPN; RAW_FILE_NAME=GD_B1_197_LQC_22S100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_197_LQC_22S100_RPP.mzML RAW_FILE_NAME=GD_B1_197_LQC_22S100_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70823-02P SampleType:sample | Sampler:plasma InjectionNumber=19; Hemoglobin=0.62; SampleName=22S100DB0001; RAW_FILE_NAME=GD_B1_019_22S100DB0001_ZHP_Reinject; RPPFileName=GD_B1_019_22S100DB0001_RPP; RPNFileName=GD_B1_019_22S100DB0001_RPN; RAW_FILE_NAME=GD_B1_019_22S100DB0001_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_019_22S100DB0001_RPP.mzML RAW_FILE_NAME=GD_B1_019_22S100DB0001_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70823-02V SampleType:sample | Sampler:VAM InjectionNumber=20; Hemoglobin=8.6; SampleName=22S100DB0002; RAW_FILE_NAME=GD_B1_020_22S100DB0002_ZHP_Reinject; RPPFileName=GD_B1_020_22S100DB0002_RPP; RPNFileName=GD_B1_020_22S100DB0002_RPN; RAW_FILE_NAME=GD_B1_020_22S100DB0002_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_020_22S100DB0002_RPP.mzML RAW_FILE_NAME=GD_B1_020_22S100DB0002_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70823-02D SampleType:sample | Sampler:DBS InjectionNumber=21; Hemoglobin=6.78; SampleName=22S100DB0003; RAW_FILE_NAME=GD_B1_021_22S100DB0003_ZHP_Reinject; RPPFileName=GD_B1_021_22S100DB0003_RPP; RPNFileName=GD_B1_021_22S100DB0003_RPN; RAW_FILE_NAME=GD_B1_021_22S100DB0003_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_021_22S100DB0003_RPP.mzML RAW_FILE_NAME=GD_B1_021_22S100DB0003_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72173-01V SampleType:sample | Sampler:VAM InjectionNumber=22; Hemoglobin=7.31; SampleName=22S100DB0004; RAW_FILE_NAME=GD_B1_022_22S100DB0004_ZHP_Reinject; RPPFileName=GD_B1_022_22S100DB0004_RPP; RPNFileName=GD_B1_022_22S100DB0004_RPN; RAW_FILE_NAME=GD_B1_022_22S100DB0004_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_022_22S100DB0004_RPP.mzML RAW_FILE_NAME=GD_B1_022_22S100DB0004_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72173-01P SampleType:sample | Sampler:plasma InjectionNumber=23; Hemoglobin=0.62; SampleName=22S100DB0005; RAW_FILE_NAME=GD_B1_023_22S100DB0005_ZHP_Reinject; RPPFileName=GD_B1_023_22S100DB0005_RPP; RPNFileName=GD_B1_023_22S100DB0005_RPN; RAW_FILE_NAME=GD_B1_023_22S100DB0005_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_023_22S100DB0005_RPP.mzML RAW_FILE_NAME=GD_B1_023_22S100DB0005_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72173-01D SampleType:sample | Sampler:DBS InjectionNumber=24; Hemoglobin=5.03; SampleName=22S100DB0006; RAW_FILE_NAME=GD_B1_024_22S100DB0006_ZHP_Reinject; RPPFileName=GD_B1_024_22S100DB0006_RPP; RPNFileName=GD_B1_024_22S100DB0006_RPN; RAW_FILE_NAME=GD_B1_024_22S100DB0006_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_024_22S100DB0006_RPP.mzML RAW_FILE_NAME=GD_B1_024_22S100DB0006_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71330-01P SampleType:sample | Sampler:plasma InjectionNumber=25; Hemoglobin=-0.13; SampleName=22S100DB0007; RAW_FILE_NAME=GD_B1_025_22S100DB0007_ZHP_Reinject; RPPFileName=GD_B1_025_22S100DB0007_RPP; RPNFileName=GD_B1_025_22S100DB0007_RPN; RAW_FILE_NAME=GD_B1_025_22S100DB0007_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_025_22S100DB0007_RPP.mzML RAW_FILE_NAME=GD_B1_025_22S100DB0007_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71330-01D SampleType:sample | Sampler:DBS InjectionNumber=26; Hemoglobin=4.69; SampleName=22S100DB0008; RAW_FILE_NAME=GD_B1_026_22S100DB0008_ZHP_Reinject; RPPFileName=GD_B1_026_22S100DB0008_RPP; RPNFileName=GD_B1_026_22S100DB0008_RPN; RAW_FILE_NAME=GD_B1_026_22S100DB0008_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_026_22S100DB0008_RPP.mzML RAW_FILE_NAME=GD_B1_026_22S100DB0008_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71330-01V SampleType:sample | Sampler:VAM InjectionNumber=27; Hemoglobin=9.88; SampleName=22S100DB0009; RAW_FILE_NAME=GD_B1_027_22S100DB0009_ZHP_Reinject; RPPFileName=GD_B1_027_22S100DB0009_RPP; RPNFileName=GD_B1_027_22S100DB0009_RPN; RAW_FILE_NAME=GD_B1_027_22S100DB0009_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_027_22S100DB0009_RPP.mzML RAW_FILE_NAME=GD_B1_027_22S100DB0009_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70833-01P SampleType:sample | Sampler:plasma InjectionNumber=28; Hemoglobin=1.18; SampleName=22S100DB0010; RAW_FILE_NAME=GD_B1_028_22S100DB0010_ZHP_Reinject; RPPFileName=GD_B1_028_22S100DB0010_RPP; RPNFileName=GD_B1_028_22S100DB0010_RPN; RAW_FILE_NAME=GD_B1_028_22S100DB0010_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_028_22S100DB0010_RPP.mzML RAW_FILE_NAME=GD_B1_028_22S100DB0010_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70833-01V SampleType:sample | Sampler:VAM InjectionNumber=30; Hemoglobin=7.78; SampleName=22S100DB0011; RAW_FILE_NAME=GD_B1_030_22S100DB0011_ZHP_Reinject; RPPFileName=GD_B1_030_22S100DB0011_RPP; RPNFileName=GD_B1_030_22S100DB0011_RPN; RAW_FILE_NAME=GD_B1_030_22S100DB0011_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_030_22S100DB0011_RPP.mzML RAW_FILE_NAME=GD_B1_030_22S100DB0011_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70833-01D SampleType:sample | Sampler:DBS InjectionNumber=31; Hemoglobin=3.46; SampleName=22S100DB0012; RAW_FILE_NAME=GD_B1_031_22S100DB0012_ZHP_Reinject; RPPFileName=GD_B1_031_22S100DB0012_RPP; RPNFileName=GD_B1_031_22S100DB0012_RPN; RAW_FILE_NAME=GD_B1_031_22S100DB0012_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_031_22S100DB0012_RPP.mzML RAW_FILE_NAME=GD_B1_031_22S100DB0012_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71906-01V SampleType:sample | Sampler:VAM InjectionNumber=32; Hemoglobin=7.72; SampleName=22S100DB0013; RAW_FILE_NAME=GD_B1_032_22S100DB0013_ZHP_Reinject; RPPFileName=GD_B1_032_22S100DB0013_RPP; RPNFileName=GD_B1_032_22S100DB0013_RPN; RAW_FILE_NAME=GD_B1_032_22S100DB0013_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_032_22S100DB0013_RPP.mzML RAW_FILE_NAME=GD_B1_032_22S100DB0013_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71906-01D SampleType:sample | Sampler:DBS InjectionNumber=33; Hemoglobin=3.5; SampleName=22S100DB0014; RAW_FILE_NAME=GD_B1_033_22S100DB0014_ZHP_Reinject; RPPFileName=GD_B1_033_22S100DB0014_RPP; RPNFileName=GD_B1_033_22S100DB0014_RPN; RAW_FILE_NAME=GD_B1_033_22S100DB0014_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_033_22S100DB0014_RPP.mzML RAW_FILE_NAME=GD_B1_033_22S100DB0014_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71906-01P SampleType:sample | Sampler:plasma InjectionNumber=34; Hemoglobin=0.59; SampleName=22S100DB0015; RAW_FILE_NAME=GD_B1_034_22S100DB0015_ZHP_Reinject; RPPFileName=GD_B1_034_22S100DB0015_RPP; RPNFileName=GD_B1_034_22S100DB0015_RPN; RAW_FILE_NAME=GD_B1_034_22S100DB0015_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_034_22S100DB0015_RPP.mzML RAW_FILE_NAME=GD_B1_034_22S100DB0015_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71530-01P SampleType:sample | Sampler:plasma InjectionNumber=35; Hemoglobin=0.71; SampleName=22S100DB0016; RAW_FILE_NAME=GD_B1_035_22S100DB0016_ZHP_Reinject; RPPFileName=GD_B1_035_22S100DB0016_RPP; RPNFileName=GD_B1_035_22S100DB0016_RPN; RAW_FILE_NAME=GD_B1_035_22S100DB0016_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_035_22S100DB0016_RPP.mzML RAW_FILE_NAME=GD_B1_035_22S100DB0016_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71530-01D SampleType:sample | Sampler:DBS InjectionNumber=36; Hemoglobin=4.15; SampleName=22S100DB0017; RAW_FILE_NAME=GD_B1_036_22S100DB0017_ZHP_Reinject; RPPFileName=GD_B1_036_22S100DB0017_RPP; RPNFileName=GD_B1_036_22S100DB0017_RPN; RAW_FILE_NAME=GD_B1_036_22S100DB0017_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_036_22S100DB0017_RPP.mzML RAW_FILE_NAME=GD_B1_036_22S100DB0017_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71530-01V SampleType:sample | Sampler:VAM InjectionNumber=37; Hemoglobin=7.5; SampleName=22S100DB0018; RAW_FILE_NAME=GD_B1_037_22S100DB0018_ZHP_Reinject; RPPFileName=GD_B1_037_22S100DB0018_RPP; RPNFileName=GD_B1_037_22S100DB0018_RPN; RAW_FILE_NAME=GD_B1_037_22S100DB0018_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_037_22S100DB0018_RPP.mzML RAW_FILE_NAME=GD_B1_037_22S100DB0018_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70784-01V SampleType:sample | Sampler:VAM InjectionNumber=38; Hemoglobin=5.94; SampleName=22S100DB0019; RAW_FILE_NAME=GD_B1_038_22S100DB0019_ZHP_Reinject; RPPFileName=GD_B1_038_22S100DB0019_RPP; RPNFileName=GD_B1_038_22S100DB0019_RPN; RAW_FILE_NAME=GD_B1_038_22S100DB0019_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_038_22S100DB0019_RPP.mzML RAW_FILE_NAME=GD_B1_038_22S100DB0019_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70784-01P SampleType:sample | Sampler:plasma InjectionNumber=39; Hemoglobin=0.84; SampleName=22S100DB0020; RAW_FILE_NAME=GD_B1_039_22S100DB0020_ZHP_Reinject; RPPFileName=GD_B1_039_22S100DB0020_RPP; RPNFileName=GD_B1_039_22S100DB0020_RPN; RAW_FILE_NAME=GD_B1_039_22S100DB0020_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_039_22S100DB0020_RPP.mzML RAW_FILE_NAME=GD_B1_039_22S100DB0020_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70784-01D SampleType:sample | Sampler:DBS InjectionNumber=41; Hemoglobin=3.09; SampleName=22S100DB0021; RAW_FILE_NAME=GD_B1_041_22S100DB0021_ZHP_Reinject; RPPFileName=GD_B1_041_22S100DB0021_RPP; RPNFileName=GD_B1_041_22S100DB0021_RPN; RAW_FILE_NAME=GD_B1_041_22S100DB0021_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_041_22S100DB0021_RPP.mzML RAW_FILE_NAME=GD_B1_041_22S100DB0021_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71522-01V SampleType:sample | Sampler:VAM InjectionNumber=42; Hemoglobin=6.44; SampleName=22S100DB0022; RAW_FILE_NAME=GD_B1_042_22S100DB0022_ZHP_Reinject; RPPFileName=GD_B1_042_22S100DB0022_RPP; RPNFileName=GD_B1_042_22S100DB0022_RPN; RAW_FILE_NAME=GD_B1_042_22S100DB0022_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_042_22S100DB0022_RPP.mzML RAW_FILE_NAME=GD_B1_042_22S100DB0022_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71522-01P SampleType:sample | Sampler:plasma InjectionNumber=43; Hemoglobin=0.55; SampleName=22S100DB0023; RAW_FILE_NAME=GD_B1_043_22S100DB0023_ZHP_Reinject; RPPFileName=GD_B1_043_22S100DB0023_RPP; RPNFileName=GD_B1_043_22S100DB0023_RPN; RAW_FILE_NAME=GD_B1_043_22S100DB0023_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_043_22S100DB0023_RPP.mzML RAW_FILE_NAME=GD_B1_043_22S100DB0023_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71522-01D SampleType:sample | Sampler:DBS InjectionNumber=44; Hemoglobin=4.4; SampleName=22S100DB0024; RAW_FILE_NAME=GD_B1_044_22S100DB0024_ZHP_Reinject; RPPFileName=GD_B1_044_22S100DB0024_RPP; RPNFileName=GD_B1_044_22S100DB0024_RPN; RAW_FILE_NAME=GD_B1_044_22S100DB0024_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_044_22S100DB0024_RPP.mzML RAW_FILE_NAME=GD_B1_044_22S100DB0024_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71939-01D SampleType:sample | Sampler:DBS InjectionNumber=45; Hemoglobin=4.72; SampleName=22S100DB0025; RAW_FILE_NAME=GD_B1_045_22S100DB0025_ZHP_Reinject; RPPFileName=GD_B1_045_22S100DB0025_RPP; RPNFileName=GD_B1_045_22S100DB0025_RPN; RAW_FILE_NAME=GD_B1_045_22S100DB0025_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_045_22S100DB0025_RPP.mzML RAW_FILE_NAME=GD_B1_045_22S100DB0025_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71939-01P SampleType:sample | Sampler:plasma InjectionNumber=46; Hemoglobin=0.84; SampleName=22S100DB0026; RAW_FILE_NAME=GD_B1_046_22S100DB0026_ZHP_Reinject; RPPFileName=GD_B1_046_22S100DB0026_RPP; RPNFileName=GD_B1_046_22S100DB0026_RPN; RAW_FILE_NAME=GD_B1_046_22S100DB0026_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_046_22S100DB0026_RPP.mzML RAW_FILE_NAME=GD_B1_046_22S100DB0026_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71939-01V SampleType:sample | Sampler:VAM InjectionNumber=47; Hemoglobin=7.88; SampleName=22S100DB0027; RAW_FILE_NAME=GD_B1_047_22S100DB0027_ZHP_Reinject; RPPFileName=GD_B1_047_22S100DB0027_RPP; RPNFileName=GD_B1_047_22S100DB0027_RPN; RAW_FILE_NAME=GD_B1_047_22S100DB0027_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_047_22S100DB0027_RPP.mzML RAW_FILE_NAME=GD_B1_047_22S100DB0027_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70226-03P SampleType:sample | Sampler:plasma InjectionNumber=48; Hemoglobin=0.65; SampleName=22S100DB0028; RAW_FILE_NAME=GD_B1_048_22S100DB0028_ZHP_Reinject; RPPFileName=GD_B1_048_22S100DB0028_RPP; RPNFileName=GD_B1_048_22S100DB0028_RPN; RAW_FILE_NAME=GD_B1_048_22S100DB0028_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_048_22S100DB0028_RPP.mzML RAW_FILE_NAME=GD_B1_048_22S100DB0028_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70226-03D SampleType:sample | Sampler:DBS InjectionNumber=49; Hemoglobin=3.56; SampleName=22S100DB0029; RAW_FILE_NAME=GD_B1_049_22S100DB0029_ZHP_Reinject; RPPFileName=GD_B1_049_22S100DB0029_RPP; RPNFileName=GD_B1_049_22S100DB0029_RPN; RAW_FILE_NAME=GD_B1_049_22S100DB0029_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_049_22S100DB0029_RPP.mzML RAW_FILE_NAME=GD_B1_049_22S100DB0029_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70226-03V SampleType:sample | Sampler:VAM InjectionNumber=50; Hemoglobin=6.72; SampleName=22S100DB0030; RAW_FILE_NAME=GD_B1_050_22S100DB0030_ZHP_Reinject; RPPFileName=GD_B1_050_22S100DB0030_RPP; RPNFileName=GD_B1_050_22S100DB0030_RPN; RAW_FILE_NAME=GD_B1_050_22S100DB0030_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_050_22S100DB0030_RPP.mzML RAW_FILE_NAME=GD_B1_050_22S100DB0030_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71751-01P SampleType:sample | Sampler:plasma InjectionNumber=52; Hemoglobin=0.71; SampleName=22S100DB0031; RAW_FILE_NAME=GD_B1_052_22S100DB0031_ZHP_Reinject; RPPFileName=GD_B1_052_22S100DB0031_RPP; RPNFileName=GD_B1_052_22S100DB0031_RPN; RAW_FILE_NAME=GD_B1_052_22S100DB0031_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_052_22S100DB0031_RPP.mzML RAW_FILE_NAME=GD_B1_052_22S100DB0031_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71751-01V SampleType:sample | Sampler:VAM InjectionNumber=53; Hemoglobin=6.78; SampleName=22S100DB0032; RAW_FILE_NAME=GD_B1_053_22S100DB0032_ZHP_Reinject; RPPFileName=GD_B1_053_22S100DB0032_RPP; RPNFileName=GD_B1_053_22S100DB0032_RPN; RAW_FILE_NAME=GD_B1_053_22S100DB0032_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_053_22S100DB0032_RPP.mzML RAW_FILE_NAME=GD_B1_053_22S100DB0032_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71751-01D SampleType:sample | Sampler:DBS InjectionNumber=54; Hemoglobin=3.31; SampleName=22S100DB0033; RAW_FILE_NAME=GD_B1_054_22S100DB0033_ZHP_Reinject; RPPFileName=GD_B1_054_22S100DB0033_RPP; RPNFileName=GD_B1_054_22S100DB0033_RPN; RAW_FILE_NAME=GD_B1_054_22S100DB0033_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_054_22S100DB0033_RPP.mzML RAW_FILE_NAME=GD_B1_054_22S100DB0033_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70632-01V SampleType:sample | Sampler:VAM InjectionNumber=55; Hemoglobin=8.82; SampleName=22S100DB0034; RAW_FILE_NAME=GD_B1_055_22S100DB0034_ZHP_Reinject; RPPFileName=GD_B1_055_22S100DB0034_RPP; RPNFileName=GD_B1_055_22S100DB0034_RPN; RAW_FILE_NAME=GD_B1_055_22S100DB0034_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_055_22S100DB0034_RPP.mzML RAW_FILE_NAME=GD_B1_055_22S100DB0034_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70632-01D SampleType:sample | Sampler:DBS InjectionNumber=56; Hemoglobin=5.53; SampleName=22S100DB0035; RAW_FILE_NAME=GD_B1_056_22S100DB0035_ZHP_Reinject; RPPFileName=GD_B1_056_22S100DB0035_RPP; RPNFileName=GD_B1_056_22S100DB0035_RPN; RAW_FILE_NAME=GD_B1_056_22S100DB0035_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_056_22S100DB0035_RPP.mzML RAW_FILE_NAME=GD_B1_056_22S100DB0035_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70632-01P SampleType:sample | Sampler:plasma InjectionNumber=57; Hemoglobin=0.84; SampleName=22S100DB0036; RAW_FILE_NAME=GD_B1_057_22S100DB0036_ZHP_Reinject; RPPFileName=GD_B1_057_22S100DB0036_RPP; RPNFileName=GD_B1_057_22S100DB0036_RPN; RAW_FILE_NAME=GD_B1_057_22S100DB0036_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_057_22S100DB0036_RPP.mzML RAW_FILE_NAME=GD_B1_057_22S100DB0036_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71446-01V SampleType:sample | Sampler:VAM InjectionNumber=58; Hemoglobin=4.69; SampleName=22S100DB0037; RAW_FILE_NAME=GD_B1_058_22S100DB0037_ZHP_Reinject; RPPFileName=GD_B1_058_22S100DB0037_RPP; RPNFileName=GD_B1_058_22S100DB0037_RPN; RAW_FILE_NAME=GD_B1_058_22S100DB0037_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_058_22S100DB0037_RPP.mzML RAW_FILE_NAME=GD_B1_058_22S100DB0037_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71446-01D SampleType:sample | Sampler:DBS InjectionNumber=59; Hemoglobin=3.75; SampleName=22S100DB0038; RAW_FILE_NAME=GD_B1_059_22S100DB0038_ZHP_Reinject; RPPFileName=GD_B1_059_22S100DB0038_RPP; RPNFileName=GD_B1_059_22S100DB0038_RPN; RAW_FILE_NAME=GD_B1_059_22S100DB0038_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_059_22S100DB0038_RPP.mzML RAW_FILE_NAME=GD_B1_059_22S100DB0038_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71446-01P SampleType:sample | Sampler:plasma InjectionNumber=60; Hemoglobin=0.65; SampleName=22S100DB0039; RAW_FILE_NAME=GD_B1_060_22S100DB0039_ZHP_Reinject; RPPFileName=GD_B1_060_22S100DB0039_RPP; RPNFileName=GD_B1_060_22S100DB0039_RPN; RAW_FILE_NAME=GD_B1_060_22S100DB0039_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_060_22S100DB0039_RPP.mzML RAW_FILE_NAME=GD_B1_060_22S100DB0039_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70969-01P SampleType:sample | Sampler:plasma InjectionNumber=61; Hemoglobin=0.65; SampleName=22S100DB0040; RAW_FILE_NAME=GD_B1_061_22S100DB0040_ZHP_Reinject; RPPFileName=GD_B1_061_22S100DB0040_RPP; RPNFileName=GD_B1_061_22S100DB0040_RPN; RAW_FILE_NAME=GD_B1_061_22S100DB0040_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_061_22S100DB0040_RPP.mzML RAW_FILE_NAME=GD_B1_061_22S100DB0040_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70969-01D SampleType:sample | Sampler:DBS InjectionNumber=63; Hemoglobin=6.47; SampleName=22S100DB0041; RAW_FILE_NAME=GD_B1_063_22S100DB0041_ZHP_Reinject; RPPFileName=GD_B1_063_22S100DB0041_RPP; RPNFileName=GD_B1_063_22S100DB0041_RPN; RAW_FILE_NAME=GD_B1_063_22S100DB0041_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_063_22S100DB0041_RPP.mzML RAW_FILE_NAME=GD_B1_063_22S100DB0041_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70969-01V SampleType:sample | Sampler:VAM InjectionNumber=64; Hemoglobin=11.07; SampleName=22S100DB0042; RAW_FILE_NAME=GD_B1_064_22S100DB0042_ZHP_Reinject; RPPFileName=GD_B1_064_22S100DB0042_RPP; RPNFileName=GD_B1_064_22S100DB0042_RPN; RAW_FILE_NAME=GD_B1_064_22S100DB0042_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_064_22S100DB0042_RPP.mzML RAW_FILE_NAME=GD_B1_064_22S100DB0042_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70732-01V SampleType:sample | Sampler:VAM InjectionNumber=65; Hemoglobin=6.97; SampleName=22S100DB0043; RAW_FILE_NAME=GD_B1_065_22S100DB0043_ZHP_Reinject; RPPFileName=GD_B1_065_22S100DB0043_RPP; RPNFileName=GD_B1_065_22S100DB0043_RPN; RAW_FILE_NAME=GD_B1_065_22S100DB0043_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_065_22S100DB0043_RPP.mzML RAW_FILE_NAME=GD_B1_065_22S100DB0043_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70732-01P SampleType:sample | Sampler:plasma InjectionNumber=66; Hemoglobin=0.65; SampleName=22S100DB0044; RAW_FILE_NAME=GD_B1_066_22S100DB0044_ZHP_Reinject; RPPFileName=GD_B1_066_22S100DB0044_RPP; RPNFileName=GD_B1_066_22S100DB0044_RPN; RAW_FILE_NAME=GD_B1_066_22S100DB0044_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_066_22S100DB0044_RPP.mzML RAW_FILE_NAME=GD_B1_066_22S100DB0044_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70732-01D SampleType:sample | Sampler:DBS InjectionNumber=67; Hemoglobin=5.31; SampleName=22S100DB0045; RAW_FILE_NAME=GD_B1_067_22S100DB0045_ZHP_Reinject; RPPFileName=GD_B1_067_22S100DB0045_RPP; RPNFileName=GD_B1_067_22S100DB0045_RPN; RAW_FILE_NAME=GD_B1_067_22S100DB0045_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_067_22S100DB0045_RPP.mzML RAW_FILE_NAME=GD_B1_067_22S100DB0045_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70607-01D SampleType:sample | Sampler:DBS InjectionNumber=68; Hemoglobin=2.65; SampleName=22S100DB0046; RAW_FILE_NAME=GD_B1_068_22S100DB0046_ZHP_Reinject; RPPFileName=GD_B1_068_22S100DB0046_RPP; RPNFileName=GD_B1_068_22S100DB0046_RPN; RAW_FILE_NAME=GD_B1_068_22S100DB0046_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_068_22S100DB0046_RPP.mzML RAW_FILE_NAME=GD_B1_068_22S100DB0046_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70607-01V SampleType:sample | Sampler:VAM InjectionNumber=69; Hemoglobin=6.25; SampleName=22S100DB0047; RAW_FILE_NAME=GD_B1_069_22S100DB0047_ZHP_Reinject; RPPFileName=GD_B1_069_22S100DB0047_RPP; RPNFileName=GD_B1_069_22S100DB0047_RPN; RAW_FILE_NAME=GD_B1_069_22S100DB0047_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_069_22S100DB0047_RPP.mzML RAW_FILE_NAME=GD_B1_069_22S100DB0047_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70607-01P SampleType:sample | Sampler:plasma InjectionNumber=70; Hemoglobin=0.65; SampleName=22S100DB0048; RAW_FILE_NAME=GD_B1_070_22S100DB0048_ZHP_Reinject; RPPFileName=GD_B1_070_22S100DB0048_RPP; RPNFileName=GD_B1_070_22S100DB0048_RPN; RAW_FILE_NAME=GD_B1_070_22S100DB0048_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_070_22S100DB0048_RPP.mzML RAW_FILE_NAME=GD_B1_070_22S100DB0048_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71766-01V SampleType:sample | Sampler:VAM InjectionNumber=71; Hemoglobin=7.1; SampleName=22S100DB0049; RAW_FILE_NAME=GD_B1_071_22S100DB0049_ZHP_Reinject; RPPFileName=GD_B1_071_22S100DB0049_RPP; RPNFileName=GD_B1_071_22S100DB0049_RPN; RAW_FILE_NAME=GD_B1_071_22S100DB0049_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_071_22S100DB0049_RPP.mzML RAW_FILE_NAME=GD_B1_071_22S100DB0049_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71766-01D SampleType:sample | Sampler:DBS InjectionNumber=72; Hemoglobin=4.06; SampleName=22S100DB0050; RAW_FILE_NAME=GD_B1_072_22S100DB0050_ZHP_Reinject; RPPFileName=GD_B1_072_22S100DB0050_RPP; RPNFileName=GD_B1_072_22S100DB0050_RPN; RAW_FILE_NAME=GD_B1_072_22S100DB0050_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_072_22S100DB0050_RPP.mzML RAW_FILE_NAME=GD_B1_072_22S100DB0050_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71766-01P SampleType:sample | Sampler:plasma InjectionNumber=74; Hemoglobin=0.84; SampleName=22S100DB0051; RAW_FILE_NAME=GD_B1_074_22S100DB0051_ZHP_Reinject; RPPFileName=GD_B1_074_22S100DB0051_RPP; RPNFileName=GD_B1_074_22S100DB0051_RPN; RAW_FILE_NAME=GD_B1_074_22S100DB0051_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_074_22S100DB0051_RPP.mzML RAW_FILE_NAME=GD_B1_074_22S100DB0051_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71843-01P SampleType:sample | Sampler:plasma InjectionNumber=75; Hemoglobin=0.68; SampleName=22S100DB0052; RAW_FILE_NAME=GD_B1_075_22S100DB0052_ZHP_Reinject; RPPFileName=GD_B1_075_22S100DB0052_RPP; RPNFileName=GD_B1_075_22S100DB0052_RPN; RAW_FILE_NAME=GD_B1_075_22S100DB0052_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_075_22S100DB0052_RPP.mzML RAW_FILE_NAME=GD_B1_075_22S100DB0052_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71843-01V SampleType:sample | Sampler:VAM InjectionNumber=76; Hemoglobin=7.44; SampleName=22S100DB0053; RAW_FILE_NAME=GD_B1_076_22S100DB0053_ZHP_Reinject; RPPFileName=GD_B1_076_22S100DB0053_RPP; RPNFileName=GD_B1_076_22S100DB0053_RPN; RAW_FILE_NAME=GD_B1_076_22S100DB0053_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_076_22S100DB0053_RPP.mzML RAW_FILE_NAME=GD_B1_076_22S100DB0053_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71843-01D SampleType:sample | Sampler:DBS InjectionNumber=77; Hemoglobin=6.53; SampleName=22S100DB0054; RAW_FILE_NAME=GD_B1_077_22S100DB0054_ZHP_Reinject; RPPFileName=GD_B1_077_22S100DB0054_RPP; RPNFileName=GD_B1_077_22S100DB0054_RPN; RAW_FILE_NAME=GD_B1_077_22S100DB0054_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_077_22S100DB0054_RPP.mzML RAW_FILE_NAME=GD_B1_077_22S100DB0054_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71551-01P SampleType:sample | Sampler:plasma InjectionNumber=78; Hemoglobin=0.9; SampleName=22S100DB0055; RAW_FILE_NAME=GD_B1_078_22S100DB0055_ZHP_Reinject; RPPFileName=GD_B1_078_22S100DB0055_RPP; RPNFileName=GD_B1_078_22S100DB0055_RPN; RAW_FILE_NAME=GD_B1_078_22S100DB0055_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_078_22S100DB0055_RPP.mzML RAW_FILE_NAME=GD_B1_078_22S100DB0055_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71551-01D SampleType:sample | Sampler:DBS InjectionNumber=79; Hemoglobin=6.56; SampleName=22S100DB0056; RAW_FILE_NAME=GD_B1_079_22S100DB0056_ZHP_Reinject; RPPFileName=GD_B1_079_22S100DB0056_RPP; RPNFileName=GD_B1_079_22S100DB0056_RPN; RAW_FILE_NAME=GD_B1_079_22S100DB0056_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_079_22S100DB0056_RPP.mzML RAW_FILE_NAME=GD_B1_079_22S100DB0056_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71551-01V SampleType:sample | Sampler:VAM InjectionNumber=80; Hemoglobin=10.44; SampleName=22S100DB0057; RAW_FILE_NAME=GD_B1_080_22S100DB0057_ZHP_Reinject; RPPFileName=GD_B1_080_22S100DB0057_RPP; RPNFileName=GD_B1_080_22S100DB0057_RPN; RAW_FILE_NAME=GD_B1_080_22S100DB0057_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_080_22S100DB0057_RPP.mzML RAW_FILE_NAME=GD_B1_080_22S100DB0057_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72144-01D SampleType:sample | Sampler:DBS InjectionNumber=81; Hemoglobin=5.34; SampleName=22S100DB0058; RAW_FILE_NAME=GD_B1_081_22S100DB0058_ZHP_Reinject; RPPFileName=GD_B1_081_22S100DB0058_RPP; RPNFileName=GD_B1_081_22S100DB0058_RPN; RAW_FILE_NAME=GD_B1_081_22S100DB0058_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_081_22S100DB0058_RPP.mzML RAW_FILE_NAME=GD_B1_081_22S100DB0058_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72144-01V SampleType:sample | Sampler:VAM InjectionNumber=82; Hemoglobin=10.1; SampleName=22S100DB0059; RAW_FILE_NAME=GD_B1_082_22S100DB0059_ZHP_Reinject; RPPFileName=GD_B1_082_22S100DB0059_RPP; RPNFileName=GD_B1_082_22S100DB0059_RPN; RAW_FILE_NAME=GD_B1_082_22S100DB0059_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_082_22S100DB0059_RPP.mzML RAW_FILE_NAME=GD_B1_082_22S100DB0059_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72144-01P SampleType:sample | Sampler:plasma InjectionNumber=83; Hemoglobin=-0.32; SampleName=22S100DB0060; RAW_FILE_NAME=GD_B1_083_22S100DB0060_ZHP_Reinject; RPPFileName=GD_B1_083_22S100DB0060_RPP; RPNFileName=GD_B1_083_22S100DB0060_RPN; RAW_FILE_NAME=GD_B1_083_22S100DB0060_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_083_22S100DB0060_RPP.mzML RAW_FILE_NAME=GD_B1_083_22S100DB0060_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72031-01V SampleType:sample | Sampler:VAM InjectionNumber=85; Hemoglobin=9.63; SampleName=22S100DB0061; RAW_FILE_NAME=GD_B1_085_22S100DB0061_ZHP_Reinject; RPPFileName=GD_B1_085_22S100DB0061_RPP; RPNFileName=GD_B1_085_22S100DB0061_RPN; RAW_FILE_NAME=GD_B1_085_22S100DB0061_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_085_22S100DB0061_RPP.mzML RAW_FILE_NAME=GD_B1_085_22S100DB0061_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72031-01D SampleType:sample | Sampler:DBS InjectionNumber=86; Hemoglobin=6.72; SampleName=22S100DB0062; RAW_FILE_NAME=GD_B1_086_22S100DB0062_ZHP_Reinject; RPPFileName=GD_B1_086_22S100DB0062_RPP; RPNFileName=GD_B1_086_22S100DB0062_RPN; RAW_FILE_NAME=GD_B1_086_22S100DB0062_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_086_22S100DB0062_RPP.mzML RAW_FILE_NAME=GD_B1_086_22S100DB0062_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72031-01P SampleType:sample | Sampler:plasma InjectionNumber=87; Hemoglobin=1.18; SampleName=22S100DB0063; RAW_FILE_NAME=GD_B1_087_22S100DB0063_ZHP_Reinject; RPPFileName=GD_B1_087_22S100DB0063_RPP; RPNFileName=GD_B1_087_22S100DB0063_RPN; RAW_FILE_NAME=GD_B1_087_22S100DB0063_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_087_22S100DB0063_RPP.mzML RAW_FILE_NAME=GD_B1_087_22S100DB0063_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71050-01D SampleType:sample | Sampler:DBS InjectionNumber=88; Hemoglobin=5.72; SampleName=22S100DB0064; RAW_FILE_NAME=GD_B1_088_22S100DB0064_ZHP_Reinject; RPPFileName=GD_B1_088_22S100DB0064_RPP; RPNFileName=GD_B1_088_22S100DB0064_RPN; RAW_FILE_NAME=GD_B1_088_22S100DB0064_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_088_22S100DB0064_RPP.mzML RAW_FILE_NAME=GD_B1_088_22S100DB0064_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71050-01V SampleType:sample | Sampler:VAM InjectionNumber=89; Hemoglobin=9.22; SampleName=22S100DB0065; RAW_FILE_NAME=GD_B1_089_22S100DB0065_ZHP_Reinject; RPPFileName=GD_B1_089_22S100DB0065_RPP; RPNFileName=GD_B1_089_22S100DB0065_RPN; RAW_FILE_NAME=GD_B1_089_22S100DB0065_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_089_22S100DB0065_RPP.mzML RAW_FILE_NAME=GD_B1_089_22S100DB0065_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71050-01P SampleType:sample | Sampler:plasma InjectionNumber=90; Hemoglobin=1.21; SampleName=22S100DB0066; RAW_FILE_NAME=GD_B1_090_22S100DB0066_ZHP_Reinject; RPPFileName=GD_B1_090_22S100DB0066_RPP; RPNFileName=GD_B1_090_22S100DB0066_RPN; RAW_FILE_NAME=GD_B1_090_22S100DB0066_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_090_22S100DB0066_RPP.mzML RAW_FILE_NAME=GD_B1_090_22S100DB0066_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70978-01V SampleType:sample | Sampler:VAM InjectionNumber=91; Hemoglobin=7.85; SampleName=22S100DB0067; RAW_FILE_NAME=GD_B1_091_22S100DB0067_ZHP_Reinject; RPPFileName=GD_B1_091_22S100DB0067_RPP; RPNFileName=GD_B1_091_22S100DB0067_RPN; RAW_FILE_NAME=GD_B1_091_22S100DB0067_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_091_22S100DB0067_RPP.mzML RAW_FILE_NAME=GD_B1_091_22S100DB0067_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70978-01P SampleType:sample | Sampler:plasma InjectionNumber=92; Hemoglobin=0.8; SampleName=22S100DB0068; RAW_FILE_NAME=GD_B1_092_22S100DB0068_ZHP_Reinject; RPPFileName=GD_B1_092_22S100DB0068_RPP; RPNFileName=GD_B1_092_22S100DB0068_RPN; RAW_FILE_NAME=GD_B1_092_22S100DB0068_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_092_22S100DB0068_RPP.mzML RAW_FILE_NAME=GD_B1_092_22S100DB0068_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70978-01D SampleType:sample | Sampler:DBS InjectionNumber=93; Hemoglobin=5.81; SampleName=22S100DB0069; RAW_FILE_NAME=GD_B1_093_22S100DB0069_ZHP_Reinject; RPPFileName=GD_B1_093_22S100DB0069_RPP; RPNFileName=GD_B1_093_22S100DB0069_RPN; RAW_FILE_NAME=GD_B1_093_22S100DB0069_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_093_22S100DB0069_RPP.mzML RAW_FILE_NAME=GD_B1_093_22S100DB0069_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72108-01P SampleType:sample | Sampler:plasma InjectionNumber=94; Hemoglobin=0.62; SampleName=22S100DB0070; RAW_FILE_NAME=GD_B1_094_22S100DB0070_ZHP_Reinject; RPPFileName=GD_B1_094_22S100DB0070_RPP; RPNFileName=GD_B1_094_22S100DB0070_RPN; RAW_FILE_NAME=GD_B1_094_22S100DB0070_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_094_22S100DB0070_RPP.mzML RAW_FILE_NAME=GD_B1_094_22S100DB0070_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72108-01V SampleType:sample | Sampler:VAM InjectionNumber=96; Hemoglobin=11.85; SampleName=22S100DB0071; RAW_FILE_NAME=GD_B1_096_22S100DB0071_ZHP_Reinject; RPPFileName=GD_B1_096_22S100DB0071_RPP; RPNFileName=GD_B1_096_22S100DB0071_RPN; RAW_FILE_NAME=GD_B1_096_22S100DB0071_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_096_22S100DB0071_RPP.mzML RAW_FILE_NAME=GD_B1_096_22S100DB0071_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72108-01D SampleType:sample | Sampler:DBS InjectionNumber=97; Hemoglobin=5.15; SampleName=22S100DB0072; RAW_FILE_NAME=GD_B1_097_22S100DB0072_ZHP_Reinject; RPPFileName=GD_B1_097_22S100DB0072_RPP; RPNFileName=GD_B1_097_22S100DB0072_RPN; RAW_FILE_NAME=GD_B1_097_22S100DB0072_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_097_22S100DB0072_RPP.mzML RAW_FILE_NAME=GD_B1_097_22S100DB0072_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71409-01P SampleType:sample | Sampler:plasma InjectionNumber=98; Hemoglobin=0.74; SampleName=22S100DB0073; RAW_FILE_NAME=GD_B1_098_22S100DB0073_ZHP_Reinject; RPPFileName=GD_B1_098_22S100DB0073_RPP; RPNFileName=GD_B1_098_22S100DB0073_RPN; RAW_FILE_NAME=GD_B1_098_22S100DB0073_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_098_22S100DB0073_RPP.mzML RAW_FILE_NAME=GD_B1_098_22S100DB0073_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71409-01V SampleType:sample | Sampler:VAM InjectionNumber=99; Hemoglobin=11.26; SampleName=22S100DB0074; RAW_FILE_NAME=GD_B1_099_22S100DB0074_ZHP_Reinject; RPPFileName=GD_B1_099_22S100DB0074_RPP; RPNFileName=GD_B1_099_22S100DB0074_RPN; RAW_FILE_NAME=GD_B1_099_22S100DB0074_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_099_22S100DB0074_RPP.mzML RAW_FILE_NAME=GD_B1_099_22S100DB0074_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71409-01D SampleType:sample | Sampler:DBS InjectionNumber=100; Hemoglobin=7.56; SampleName=22S100DB0075; RAW_FILE_NAME=GD_B1_100_22S100DB0075_ZHP_Reinject; RPPFileName=GD_B1_100_22S100DB0075_RPP; RPNFileName=GD_B1_100_22S100DB0075_RPN; RAW_FILE_NAME=GD_B1_100_22S100DB0075_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_100_22S100DB0075_RPP.mzML RAW_FILE_NAME=GD_B1_100_22S100DB0075_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70098-01V SampleType:sample | Sampler:VAM InjectionNumber=101; Hemoglobin=8.85; SampleName=22S100DB0076; RAW_FILE_NAME=GD_B1_101_22S100DB0076_ZHP_Reinject; RPPFileName=GD_B1_101_22S100DB0076_RPP; RPNFileName=GD_B1_101_22S100DB0076_RPN; RAW_FILE_NAME=GD_B1_101_22S100DB0076_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_101_22S100DB0076_RPP.mzML RAW_FILE_NAME=GD_B1_101_22S100DB0076_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70098-01P SampleType:sample | Sampler:plasma InjectionNumber=102; Hemoglobin=0.74; SampleName=22S100DB0077; RAW_FILE_NAME=GD_B1_102_22S100DB0077_ZHP_Reinject; RPPFileName=GD_B1_102_22S100DB0077_RPP; RPNFileName=GD_B1_102_22S100DB0077_RPN; RAW_FILE_NAME=GD_B1_102_22S100DB0077_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_102_22S100DB0077_RPP.mzML RAW_FILE_NAME=GD_B1_102_22S100DB0077_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70098-01D SampleType:sample | Sampler:DBS InjectionNumber=103; Hemoglobin=5.81; SampleName=22S100DB0078; RAW_FILE_NAME=GD_B1_103_22S100DB0078_ZHP_Reinject; RPPFileName=GD_B1_103_22S100DB0078_RPP; RPNFileName=GD_B1_103_22S100DB0078_RPN; RAW_FILE_NAME=GD_B1_103_22S100DB0078_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_103_22S100DB0078_RPP.mzML RAW_FILE_NAME=GD_B1_103_22S100DB0078_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71585-01V SampleType:sample | Sampler:VAM InjectionNumber=104; Hemoglobin=6.34; SampleName=22S100DB0079; RAW_FILE_NAME=GD_B1_104_22S100DB0079_ZHP_Reinject; RPPFileName=GD_B1_104_22S100DB0079_RPP; RPNFileName=GD_B1_104_22S100DB0079_RPN; RAW_FILE_NAME=GD_B1_104_22S100DB0079_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_104_22S100DB0079_RPP.mzML RAW_FILE_NAME=GD_B1_104_22S100DB0079_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71585-01P SampleType:sample | Sampler:plasma InjectionNumber=105; Hemoglobin=0.93; SampleName=22S100DB0080; RAW_FILE_NAME=GD_B1_105_22S100DB0080_ZHP_Reinject; RPPFileName=GD_B1_105_22S100DB0080_RPP; RPNFileName=GD_B1_105_22S100DB0080_RPN; RAW_FILE_NAME=GD_B1_105_22S100DB0080_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_105_22S100DB0080_RPP.mzML RAW_FILE_NAME=GD_B1_105_22S100DB0080_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71585-01D SampleType:sample | Sampler:DBS InjectionNumber=107; Hemoglobin=1.31; SampleName=22S100DB0081; RAW_FILE_NAME=GD_B1_107_22S100DB0081_ZHP_Reinject; RPPFileName=GD_B1_107_22S100DB0081_RPP; RPNFileName=GD_B1_107_22S100DB0081_RPN; RAW_FILE_NAME=GD_B1_107_22S100DB0081_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_107_22S100DB0081_RPP.mzML RAW_FILE_NAME=GD_B1_107_22S100DB0081_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71303-01P SampleType:sample | Sampler:plasma InjectionNumber=108; Hemoglobin=0.65; SampleName=22S100DB0082; RAW_FILE_NAME=GD_B1_108_22S100DB0082_ZHP_Reinject; RPPFileName=GD_B1_108_22S100DB0082_RPP; RPNFileName=GD_B1_108_22S100DB0082_RPN; RAW_FILE_NAME=GD_B1_108_22S100DB0082_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_108_22S100DB0082_RPP.mzML RAW_FILE_NAME=GD_B1_108_22S100DB0082_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71303-01D SampleType:sample | Sampler:DBS InjectionNumber=109; Hemoglobin=7.78; SampleName=22S100DB0083; RAW_FILE_NAME=GD_B1_109_22S100DB0083_ZHP_Reinject; RPPFileName=GD_B1_109_22S100DB0083_RPP; RPNFileName=GD_B1_109_22S100DB0083_RPN; RAW_FILE_NAME=GD_B1_109_22S100DB0083_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_109_22S100DB0083_RPP.mzML RAW_FILE_NAME=GD_B1_109_22S100DB0083_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71303-01V SampleType:sample | Sampler:VAM InjectionNumber=110; Hemoglobin=7.69; SampleName=22S100DB0084; RAW_FILE_NAME=GD_B1_110_22S100DB0084_ZHP_Reinject; RPPFileName=GD_B1_110_22S100DB0084_RPP; RPNFileName=GD_B1_110_22S100DB0084_RPN; RAW_FILE_NAME=GD_B1_110_22S100DB0084_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_110_22S100DB0084_RPP.mzML RAW_FILE_NAME=GD_B1_110_22S100DB0084_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71589-01V SampleType:sample | Sampler:VAM InjectionNumber=111; Hemoglobin=9.57; SampleName=22S100DB0085; RAW_FILE_NAME=GD_B1_111_22S100DB0085_ZHP_Reinject; RPPFileName=GD_B1_111_22S100DB0085_RPP; RPNFileName=GD_B1_111_22S100DB0085_RPN; RAW_FILE_NAME=GD_B1_111_22S100DB0085_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_111_22S100DB0085_RPP.mzML RAW_FILE_NAME=GD_B1_111_22S100DB0085_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71589-01D SampleType:sample | Sampler:DBS InjectionNumber=112; Hemoglobin=6.65; SampleName=22S100DB0086; RAW_FILE_NAME=GD_B1_112_22S100DB0086_ZHP_Reinject; RPPFileName=GD_B1_112_22S100DB0086_RPP; RPNFileName=GD_B1_112_22S100DB0086_RPN; RAW_FILE_NAME=GD_B1_112_22S100DB0086_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_112_22S100DB0086_RPP.mzML RAW_FILE_NAME=GD_B1_112_22S100DB0086_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71589-01P SampleType:sample | Sampler:plasma InjectionNumber=113; Hemoglobin=0.33; SampleName=22S100DB0087; RAW_FILE_NAME=GD_B1_113_22S100DB0087_ZHP_Reinject; RPPFileName=GD_B1_113_22S100DB0087_RPP; RPNFileName=GD_B1_113_22S100DB0087_RPN; RAW_FILE_NAME=GD_B1_113_22S100DB0087_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_113_22S100DB0087_RPP.mzML RAW_FILE_NAME=GD_B1_113_22S100DB0087_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70490-01D SampleType:sample | Sampler:DBS InjectionNumber=114; Hemoglobin=5.27; SampleName=22S100DB0088; RAW_FILE_NAME=GD_B1_114_22S100DB0088_ZHP_Reinject; RPPFileName=GD_B1_114_22S100DB0088_RPP; RPNFileName=GD_B1_114_22S100DB0088_RPN; RAW_FILE_NAME=GD_B1_114_22S100DB0088_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_114_22S100DB0088_RPP.mzML RAW_FILE_NAME=GD_B1_114_22S100DB0088_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70490-01V SampleType:sample | Sampler:VAM InjectionNumber=115; Hemoglobin=6.98; SampleName=22S100DB0089; RAW_FILE_NAME=GD_B1_115_22S100DB0089_ZHP_Reinject; RPPFileName=GD_B1_115_22S100DB0089_RPP; RPNFileName=GD_B1_115_22S100DB0089_RPN; RAW_FILE_NAME=GD_B1_115_22S100DB0089_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_115_22S100DB0089_RPP.mzML RAW_FILE_NAME=GD_B1_115_22S100DB0089_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70490-01P SampleType:sample | Sampler:plasma InjectionNumber=116; Hemoglobin=0.49; SampleName=22S100DB0090; RAW_FILE_NAME=GD_B1_116_22S100DB0090_ZHP_Reinject; RPPFileName=GD_B1_116_22S100DB0090_RPP; RPNFileName=GD_B1_116_22S100DB0090_RPN; RAW_FILE_NAME=GD_B1_116_22S100DB0090_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_116_22S100DB0090_RPP.mzML RAW_FILE_NAME=GD_B1_116_22S100DB0090_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71944-01D SampleType:sample | Sampler:DBS InjectionNumber=118; Hemoglobin=1.08; SampleName=22S100DB0091; RAW_FILE_NAME=GD_B1_118_22S100DB0091_ZHP_Reinject; RPPFileName=GD_B1_118_22S100DB0091_RPP; RPNFileName=GD_B1_118_22S100DB0091_RPN; RAW_FILE_NAME=GD_B1_118_22S100DB0091_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_118_22S100DB0091_RPP.mzML RAW_FILE_NAME=GD_B1_118_22S100DB0091_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71944-01P SampleType:sample | Sampler:plasma InjectionNumber=119; Hemoglobin=0.59; SampleName=22S100DB0092; RAW_FILE_NAME=GD_B1_119_22S100DB0092_ZHP_Reinject; RPPFileName=GD_B1_119_22S100DB0092_RPP; RPNFileName=GD_B1_119_22S100DB0092_RPN; RAW_FILE_NAME=GD_B1_119_22S100DB0092_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_119_22S100DB0092_RPP.mzML RAW_FILE_NAME=GD_B1_119_22S100DB0092_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71944-01V SampleType:sample | Sampler:VAM InjectionNumber=120; Hemoglobin=9.7; SampleName=22S100DB0093; RAW_FILE_NAME=GD_B1_120_22S100DB0093_ZHP_Reinject; RPPFileName=GD_B1_120_22S100DB0093_RPP; RPNFileName=GD_B1_120_22S100DB0093_RPN; RAW_FILE_NAME=GD_B1_120_22S100DB0093_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_120_22S100DB0093_RPP.mzML RAW_FILE_NAME=GD_B1_120_22S100DB0093_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72021-01V SampleType:sample | Sampler:VAM InjectionNumber=121; Hemoglobin=6.81; SampleName=22S100DB0094; RAW_FILE_NAME=GD_B1_121_22S100DB0094_ZHP_Reinject; RPPFileName=GD_B1_121_22S100DB0094_RPP; RPNFileName=GD_B1_121_22S100DB0094_RPN; RAW_FILE_NAME=GD_B1_121_22S100DB0094_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_121_22S100DB0094_RPP.mzML RAW_FILE_NAME=GD_B1_121_22S100DB0094_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72021-01D SampleType:sample | Sampler:DBS InjectionNumber=122; Hemoglobin=5.5; SampleName=22S100DB0095; RAW_FILE_NAME=GD_B1_122_22S100DB0095_ZHP_Reinject; RPPFileName=GD_B1_122_22S100DB0095_RPP; RPNFileName=GD_B1_122_22S100DB0095_RPN; RAW_FILE_NAME=GD_B1_122_22S100DB0095_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_122_22S100DB0095_RPP.mzML RAW_FILE_NAME=GD_B1_122_22S100DB0095_RPN.mzML SUBJECT_SAMPLE_FACTORS - 72021-01P SampleType:sample | Sampler:plasma InjectionNumber=123; Hemoglobin=0.29; SampleName=22S100DB0096; RAW_FILE_NAME=GD_B1_123_22S100DB0096_ZHP_Reinject; RPPFileName=GD_B1_123_22S100DB0096_RPP; RPNFileName=GD_B1_123_22S100DB0096_RPN; RAW_FILE_NAME=GD_B1_123_22S100DB0096_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_123_22S100DB0096_RPP.mzML RAW_FILE_NAME=GD_B1_123_22S100DB0096_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71688-01D SampleType:sample | Sampler:DBS InjectionNumber=124; Hemoglobin=7.04; SampleName=22S100DB0097; RAW_FILE_NAME=GD_B1_124_22S100DB0097_ZHP_Reinject; RPPFileName=GD_B1_124_22S100DB0097_RPP; RPNFileName=GD_B1_124_22S100DB0097_RPN; RAW_FILE_NAME=GD_B1_124_22S100DB0097_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_124_22S100DB0097_RPP.mzML RAW_FILE_NAME=GD_B1_124_22S100DB0097_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71688-01V SampleType:sample | Sampler:VAM InjectionNumber=125; Hemoglobin=11.43; SampleName=22S100DB0098; RAW_FILE_NAME=GD_B1_125_22S100DB0098_ZHP_Reinject; RPPFileName=GD_B1_125_22S100DB0098_RPP; RPNFileName=GD_B1_125_22S100DB0098_RPN; RAW_FILE_NAME=GD_B1_125_22S100DB0098_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_125_22S100DB0098_RPP.mzML RAW_FILE_NAME=GD_B1_125_22S100DB0098_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71688-01P SampleType:sample | Sampler:plasma InjectionNumber=126; Hemoglobin=0.29; SampleName=22S100DB0099; RAW_FILE_NAME=GD_B1_126_22S100DB0099_ZHP_Reinject; RPPFileName=GD_B1_126_22S100DB0099_RPP; RPNFileName=GD_B1_126_22S100DB0099_RPN; RAW_FILE_NAME=GD_B1_126_22S100DB0099_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_126_22S100DB0099_RPP.mzML RAW_FILE_NAME=GD_B1_126_22S100DB0099_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71141-01P SampleType:sample | Sampler:plasma InjectionNumber=127; Hemoglobin=0.2; SampleName=22S100DB0100; RAW_FILE_NAME=GD_B1_127_22S100DB0100_ZHP_Reinject; RPPFileName=GD_B1_127_22S100DB0100_RPP; RPNFileName=GD_B1_127_22S100DB0100_RPN; RAW_FILE_NAME=GD_B1_127_22S100DB0100_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_127_22S100DB0100_RPP.mzML RAW_FILE_NAME=GD_B1_127_22S100DB0100_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71141-01D SampleType:sample | Sampler:DBS InjectionNumber=129; Hemoglobin=5.47; SampleName=22S100DB0101; RAW_FILE_NAME=GD_B1_129_22S100DB0101_ZHP_Reinject; RPPFileName=GD_B1_129_22S100DB0101_RPP; RPNFileName=GD_B1_129_22S100DB0101_RPN; RAW_FILE_NAME=GD_B1_129_22S100DB0101_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_129_22S100DB0101_RPP.mzML RAW_FILE_NAME=GD_B1_129_22S100DB0101_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71141-01V SampleType:sample | Sampler:VAM InjectionNumber=130; Hemoglobin=3.57; SampleName=22S100DB0102; RAW_FILE_NAME=GD_B1_130_22S100DB0102_ZHP_Reinject; RPPFileName=GD_B1_130_22S100DB0102_RPP; RPNFileName=GD_B1_130_22S100DB0102_RPN; RAW_FILE_NAME=GD_B1_130_22S100DB0102_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_130_22S100DB0102_RPP.mzML RAW_FILE_NAME=GD_B1_130_22S100DB0102_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70645-01D SampleType:sample | Sampler:DBS InjectionNumber=131; Hemoglobin=4.55; SampleName=22S100DB0103; RAW_FILE_NAME=GD_B1_131_22S100DB0103_ZHP_Reinject; RPPFileName=GD_B1_131_22S100DB0103_RPP; RPNFileName=GD_B1_131_22S100DB0103_RPN; RAW_FILE_NAME=GD_B1_131_22S100DB0103_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_131_22S100DB0103_RPP.mzML RAW_FILE_NAME=GD_B1_131_22S100DB0103_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70645-01V SampleType:sample | Sampler:VAM InjectionNumber=132; Hemoglobin=4.65; SampleName=22S100DB0104; RAW_FILE_NAME=GD_B1_132_22S100DB0104_ZHP_Reinject; RPPFileName=GD_B1_132_22S100DB0104_RPP; RPNFileName=GD_B1_132_22S100DB0104_RPN; RAW_FILE_NAME=GD_B1_132_22S100DB0104_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_132_22S100DB0104_RPP.mzML RAW_FILE_NAME=GD_B1_132_22S100DB0104_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70645-01P SampleType:sample | Sampler:plasma InjectionNumber=133; Hemoglobin=0.29; SampleName=22S100DB0105; RAW_FILE_NAME=GD_B1_133_22S100DB0105_ZHP_Reinject; RPPFileName=GD_B1_133_22S100DB0105_RPP; RPNFileName=GD_B1_133_22S100DB0105_RPN; RAW_FILE_NAME=GD_B1_133_22S100DB0105_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_133_22S100DB0105_RPP.mzML RAW_FILE_NAME=GD_B1_133_22S100DB0105_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70557-01D SampleType:sample | Sampler:DBS InjectionNumber=134; Hemoglobin=3.87; SampleName=22S100DB0106; RAW_FILE_NAME=GD_B1_134_22S100DB0106_ZHP_Reinject; RPPFileName=GD_B1_134_22S100DB0106_RPP; RPNFileName=GD_B1_134_22S100DB0106_RPN; RAW_FILE_NAME=GD_B1_134_22S100DB0106_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_134_22S100DB0106_RPP.mzML RAW_FILE_NAME=GD_B1_134_22S100DB0106_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70557-01P SampleType:sample | Sampler:plasma InjectionNumber=135; Hemoglobin=-0.29; SampleName=22S100DB0107; RAW_FILE_NAME=GD_B1_135_22S100DB0107_ZHP_Reinject; RPPFileName=GD_B1_135_22S100DB0107_RPP; RPNFileName=GD_B1_135_22S100DB0107_RPN; RAW_FILE_NAME=GD_B1_135_22S100DB0107_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_135_22S100DB0107_RPP.mzML RAW_FILE_NAME=GD_B1_135_22S100DB0107_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70557-01V SampleType:sample | Sampler:VAM InjectionNumber=136; Hemoglobin=6.19; SampleName=22S100DB0108; RAW_FILE_NAME=GD_B1_136_22S100DB0108_ZHP_Reinject; RPPFileName=GD_B1_136_22S100DB0108_RPP; RPNFileName=GD_B1_136_22S100DB0108_RPN; RAW_FILE_NAME=GD_B1_136_22S100DB0108_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_136_22S100DB0108_RPP.mzML RAW_FILE_NAME=GD_B1_136_22S100DB0108_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70705-01P SampleType:sample | Sampler:plasma InjectionNumber=137; Hemoglobin=-0.26; SampleName=22S100DB0109; RAW_FILE_NAME=GD_B1_137_22S100DB0109_ZHP_Reinject; RPPFileName=GD_B1_137_22S100DB0109_RPP; RPNFileName=GD_B1_137_22S100DB0109_RPN; RAW_FILE_NAME=GD_B1_137_22S100DB0109_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_137_22S100DB0109_RPP.mzML RAW_FILE_NAME=GD_B1_137_22S100DB0109_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70705-01V SampleType:sample | Sampler:VAM InjectionNumber=138; Hemoglobin=7.63; SampleName=22S100DB0110; RAW_FILE_NAME=GD_B1_138_22S100DB0110_ZHP_Reinject; RPPFileName=GD_B1_138_22S100DB0110_RPP; RPNFileName=GD_B1_138_22S100DB0110_RPN; RAW_FILE_NAME=GD_B1_138_22S100DB0110_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_138_22S100DB0110_RPP.mzML RAW_FILE_NAME=GD_B1_138_22S100DB0110_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70705-01D SampleType:sample | Sampler:DBS InjectionNumber=140; Hemoglobin=5.24; SampleName=22S100DB0111; RAW_FILE_NAME=GD_B1_140_22S100DB0111_ZHP_Reinject; RPPFileName=GD_B1_140_22S100DB0111_RPP; RPNFileName=GD_B1_140_22S100DB0111_RPN; RAW_FILE_NAME=GD_B1_140_22S100DB0111_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_140_22S100DB0111_RPP.mzML RAW_FILE_NAME=GD_B1_140_22S100DB0111_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70808-01P SampleType:sample | Sampler:plasma InjectionNumber=141; Hemoglobin=-0.1; SampleName=22S100DB0112; RAW_FILE_NAME=GD_B1_141_22S100DB0112_ZHP_Reinject; RPPFileName=GD_B1_141_22S100DB0112_RPP; RPNFileName=GD_B1_141_22S100DB0112_RPN; RAW_FILE_NAME=GD_B1_141_22S100DB0112_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_141_22S100DB0112_RPP.mzML RAW_FILE_NAME=GD_B1_141_22S100DB0112_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70808-01V SampleType:sample | Sampler:VAM InjectionNumber=142; Hemoglobin=9.11; SampleName=22S100DB0113; RAW_FILE_NAME=GD_B1_142_22S100DB0113_ZHP_Reinject; RPPFileName=GD_B1_142_22S100DB0113_RPP; RPNFileName=GD_B1_142_22S100DB0113_RPN; RAW_FILE_NAME=GD_B1_142_22S100DB0113_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_142_22S100DB0113_RPP.mzML RAW_FILE_NAME=GD_B1_142_22S100DB0113_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70808-01D SampleType:sample | Sampler:DBS InjectionNumber=143; Hemoglobin=4.46; SampleName=22S100DB0114; RAW_FILE_NAME=GD_B1_143_22S100DB0114_ZHP_Reinject; RPPFileName=GD_B1_143_22S100DB0114_RPP; RPNFileName=GD_B1_143_22S100DB0114_RPN; RAW_FILE_NAME=GD_B1_143_22S100DB0114_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_143_22S100DB0114_RPP.mzML RAW_FILE_NAME=GD_B1_143_22S100DB0114_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71289-01D SampleType:sample | Sampler:DBS InjectionNumber=144; Hemoglobin=6.68; SampleName=22S100DB0115; RAW_FILE_NAME=GD_B1_144_22S100DB0115_ZHP_Reinject; RPPFileName=GD_B1_144_22S100DB0115_RPP; RPNFileName=GD_B1_144_22S100DB0115_RPN; RAW_FILE_NAME=GD_B1_144_22S100DB0115_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_144_22S100DB0115_RPP.mzML RAW_FILE_NAME=GD_B1_144_22S100DB0115_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71289-01V SampleType:sample | Sampler:VAM InjectionNumber=145; Hemoglobin=12.78; SampleName=22S100DB0116; RAW_FILE_NAME=GD_B1_145_22S100DB0116_ZHP_Reinject; RPPFileName=GD_B1_145_22S100DB0116_RPP; RPNFileName=GD_B1_145_22S100DB0116_RPN; RAW_FILE_NAME=GD_B1_145_22S100DB0116_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_145_22S100DB0116_RPP.mzML RAW_FILE_NAME=GD_B1_145_22S100DB0116_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71289-01P SampleType:sample | Sampler:plasma InjectionNumber=146; Hemoglobin=0.2; SampleName=22S100DB0117; RAW_FILE_NAME=GD_B1_146_22S100DB0117_ZHP_Reinject; RPPFileName=GD_B1_146_22S100DB0117_RPP; RPNFileName=GD_B1_146_22S100DB0117_RPN; RAW_FILE_NAME=GD_B1_146_22S100DB0117_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_146_22S100DB0117_RPP.mzML RAW_FILE_NAME=GD_B1_146_22S100DB0117_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71674-01V SampleType:sample | Sampler:VAM InjectionNumber=147; Hemoglobin=0.82; SampleName=22S100DB0118; RAW_FILE_NAME=GD_B1_147_22S100DB0118_ZHP_Reinject; RPPFileName=GD_B1_147_22S100DB0118_RPP; RPNFileName=GD_B1_147_22S100DB0118_RPN; RAW_FILE_NAME=GD_B1_147_22S100DB0118_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_147_22S100DB0118_RPP.mzML RAW_FILE_NAME=GD_B1_147_22S100DB0118_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71674-01D SampleType:sample | Sampler:DBS InjectionNumber=148; Hemoglobin=7.08; SampleName=22S100DB0119; RAW_FILE_NAME=GD_B1_148_22S100DB0119_ZHP_Reinject; RPPFileName=GD_B1_148_22S100DB0119_RPP; RPNFileName=GD_B1_148_22S100DB0119_RPN; RAW_FILE_NAME=GD_B1_148_22S100DB0119_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_148_22S100DB0119_RPP.mzML RAW_FILE_NAME=GD_B1_148_22S100DB0119_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71674-01P SampleType:sample | Sampler:plasma InjectionNumber=149; Hemoglobin=0.33; SampleName=22S100DB0120; RAW_FILE_NAME=GD_B1_149_22S100DB0120_ZHP_Reinject; RPPFileName=GD_B1_149_22S100DB0120_RPP; RPNFileName=GD_B1_149_22S100DB0120_RPN; RAW_FILE_NAME=GD_B1_149_22S100DB0120_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_149_22S100DB0120_RPP.mzML RAW_FILE_NAME=GD_B1_149_22S100DB0120_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71664-01D SampleType:sample | Sampler:DBS InjectionNumber=151; Hemoglobin=6.58; SampleName=22S100DB0121; RAW_FILE_NAME=GD_B1_151_22S100DB0121_ZHP_Reinject; RPPFileName=GD_B1_151_22S100DB0121_RPP; RPNFileName=GD_B1_151_22S100DB0121_RPN; RAW_FILE_NAME=GD_B1_151_22S100DB0121_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_151_22S100DB0121_RPP.mzML RAW_FILE_NAME=GD_B1_151_22S100DB0121_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71664-01P SampleType:sample | Sampler:plasma InjectionNumber=152; Hemoglobin=13.56; SampleName=22S100DB0122; RAW_FILE_NAME=GD_B1_152_22S100DB0122_ZHP_Reinject; RPPFileName=GD_B1_152_22S100DB0122_RPP; RPNFileName=GD_B1_152_22S100DB0122_RPN; RAW_FILE_NAME=GD_B1_152_22S100DB0122_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_152_22S100DB0122_RPP.mzML RAW_FILE_NAME=GD_B1_152_22S100DB0122_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71664-01V SampleType:sample | Sampler:VAM InjectionNumber=153; Hemoglobin=11.63; SampleName=22S100DB0123; RAW_FILE_NAME=GD_B1_153_22S100DB0123_ZHP_Reinject; RPPFileName=GD_B1_153_22S100DB0123_RPP; RPNFileName=GD_B1_153_22S100DB0123_RPN; RAW_FILE_NAME=GD_B1_153_22S100DB0123_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_153_22S100DB0123_RPP.mzML RAW_FILE_NAME=GD_B1_153_22S100DB0123_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71747-01V SampleType:sample | Sampler:VAM InjectionNumber=154; Hemoglobin=13.01; SampleName=22S100DB0124; RAW_FILE_NAME=GD_B1_154_22S100DB0124_ZHP_Reinject; RPPFileName=GD_B1_154_22S100DB0124_RPP; RPNFileName=GD_B1_154_22S100DB0124_RPN; RAW_FILE_NAME=GD_B1_154_22S100DB0124_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_154_22S100DB0124_RPP.mzML RAW_FILE_NAME=GD_B1_154_22S100DB0124_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71747-01P SampleType:sample | Sampler:plasma InjectionNumber=155; Hemoglobin=0.43; SampleName=22S100DB0125; RAW_FILE_NAME=GD_B1_155_22S100DB0125_ZHP_Reinject; RPPFileName=GD_B1_155_22S100DB0125_RPP; RPNFileName=GD_B1_155_22S100DB0125_RPN; RAW_FILE_NAME=GD_B1_155_22S100DB0125_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_155_22S100DB0125_RPP.mzML RAW_FILE_NAME=GD_B1_155_22S100DB0125_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71747-01D SampleType:sample | Sampler:DBS InjectionNumber=156; Hemoglobin=8.94; SampleName=22S100DB0126; RAW_FILE_NAME=GD_B1_156_22S100DB0126_ZHP_Reinject; RPPFileName=GD_B1_156_22S100DB0126_RPP; RPNFileName=GD_B1_156_22S100DB0126_RPN; RAW_FILE_NAME=GD_B1_156_22S100DB0126_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_156_22S100DB0126_RPP.mzML RAW_FILE_NAME=GD_B1_156_22S100DB0126_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71564-01D SampleType:sample | Sampler:DBS InjectionNumber=157; Hemoglobin=6.26; SampleName=22S100DB0127; RAW_FILE_NAME=GD_B1_157_22S100DB0127_ZHP_Reinject; RPPFileName=GD_B1_157_22S100DB0127_RPP; RPNFileName=GD_B1_157_22S100DB0127_RPN; RAW_FILE_NAME=GD_B1_157_22S100DB0127_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_157_22S100DB0127_RPP.mzML RAW_FILE_NAME=GD_B1_157_22S100DB0127_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71564-01P SampleType:sample | Sampler:plasma InjectionNumber=158; Hemoglobin=0.23; SampleName=22S100DB0128; RAW_FILE_NAME=GD_B1_158_22S100DB0128_ZHP_Reinject; RPPFileName=GD_B1_158_22S100DB0128_RPP; RPNFileName=GD_B1_158_22S100DB0128_RPN; RAW_FILE_NAME=GD_B1_158_22S100DB0128_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_158_22S100DB0128_RPP.mzML RAW_FILE_NAME=GD_B1_158_22S100DB0128_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71564-01V SampleType:sample | Sampler:VAM InjectionNumber=159; Hemoglobin=10.12; SampleName=22S100DB0129; RAW_FILE_NAME=GD_B1_159_22S100DB0129_ZHP_Reinject; RPPFileName=GD_B1_159_22S100DB0129_RPP; RPNFileName=GD_B1_159_22S100DB0129_RPN; RAW_FILE_NAME=GD_B1_159_22S100DB0129_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_159_22S100DB0129_RPP.mzML RAW_FILE_NAME=GD_B1_159_22S100DB0129_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70468-01P SampleType:sample | Sampler:plasma InjectionNumber=160; Hemoglobin=0.26; SampleName=22S100DB0130; RAW_FILE_NAME=GD_B1_160_22S100DB0130_ZHP_Reinject; RPPFileName=GD_B1_160_22S100DB0130_RPP; RPNFileName=GD_B1_160_22S100DB0130_RPN; RAW_FILE_NAME=GD_B1_160_22S100DB0130_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_160_22S100DB0130_RPP.mzML RAW_FILE_NAME=GD_B1_160_22S100DB0130_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70468-01V SampleType:sample | Sampler:VAM InjectionNumber=162; Hemoglobin=8.58; SampleName=22S100DB0131; RAW_FILE_NAME=GD_B1_162_22S100DB0131_ZHP_Reinject; RPPFileName=GD_B1_162_22S100DB0131_RPP; RPNFileName=GD_B1_162_22S100DB0131_RPN; RAW_FILE_NAME=GD_B1_162_22S100DB0131_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_162_22S100DB0131_RPP.mzML RAW_FILE_NAME=GD_B1_162_22S100DB0131_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70468-01D SampleType:sample | Sampler:DBS InjectionNumber=163; Hemoglobin=5.63; SampleName=22S100DB0132; RAW_FILE_NAME=GD_B1_163_22S100DB0132_ZHP_Reinject; RPPFileName=GD_B1_163_22S100DB0132_RPP; RPNFileName=GD_B1_163_22S100DB0132_RPN; RAW_FILE_NAME=GD_B1_163_22S100DB0132_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_163_22S100DB0132_RPP.mzML RAW_FILE_NAME=GD_B1_163_22S100DB0132_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71678-01D SampleType:sample | Sampler:DBS InjectionNumber=164; Hemoglobin=6.19; SampleName=22S100DB0133; RAW_FILE_NAME=GD_B1_164_22S100DB0133_ZHP_Reinject; RPPFileName=GD_B1_164_22S100DB0133_RPP; RPNFileName=GD_B1_164_22S100DB0133_RPN; RAW_FILE_NAME=GD_B1_164_22S100DB0133_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_164_22S100DB0133_RPP.mzML RAW_FILE_NAME=GD_B1_164_22S100DB0133_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71678-01P SampleType:sample | Sampler:plasma InjectionNumber=165; Hemoglobin=0.29; SampleName=22S100DB0134; RAW_FILE_NAME=GD_B1_165_22S100DB0134_ZHP_Reinject; RPPFileName=GD_B1_165_22S100DB0134_RPP; RPNFileName=GD_B1_165_22S100DB0134_RPN; RAW_FILE_NAME=GD_B1_165_22S100DB0134_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_165_22S100DB0134_RPP.mzML RAW_FILE_NAME=GD_B1_165_22S100DB0134_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71678-01V SampleType:sample | Sampler:VAM InjectionNumber=166; Hemoglobin=9.04; SampleName=22S100DB0135; RAW_FILE_NAME=GD_B1_166_22S100DB0135_ZHP_Reinject; RPPFileName=GD_B1_166_22S100DB0135_RPP; RPNFileName=GD_B1_166_22S100DB0135_RPN; RAW_FILE_NAME=GD_B1_166_22S100DB0135_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_166_22S100DB0135_RPP.mzML RAW_FILE_NAME=GD_B1_166_22S100DB0135_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70404-01V SampleType:sample | Sampler:VAM InjectionNumber=167; Hemoglobin=7.6; SampleName=22S100DB0136; RAW_FILE_NAME=GD_B1_167_22S100DB0136_ZHP_Reinject; RPPFileName=GD_B1_167_22S100DB0136_RPP; RPNFileName=GD_B1_167_22S100DB0136_RPN; RAW_FILE_NAME=GD_B1_167_22S100DB0136_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_167_22S100DB0136_RPP.mzML RAW_FILE_NAME=GD_B1_167_22S100DB0136_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70404-01D SampleType:sample | Sampler:DBS InjectionNumber=168; Hemoglobin=4.32; SampleName=22S100DB0137; RAW_FILE_NAME=GD_B1_168_22S100DB0137_ZHP_Reinject; RPPFileName=GD_B1_168_22S100DB0137_RPP; RPNFileName=GD_B1_168_22S100DB0137_RPN; RAW_FILE_NAME=GD_B1_168_22S100DB0137_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_168_22S100DB0137_RPP.mzML RAW_FILE_NAME=GD_B1_168_22S100DB0137_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70404-01P SampleType:sample | Sampler:plasma InjectionNumber=169; Hemoglobin=0.33; SampleName=22S100DB0138; RAW_FILE_NAME=GD_B1_169_22S100DB0138_ZHP_Reinject; RPPFileName=GD_B1_169_22S100DB0138_RPP; RPNFileName=GD_B1_169_22S100DB0138_RPN; RAW_FILE_NAME=GD_B1_169_22S100DB0138_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_169_22S100DB0138_RPP.mzML RAW_FILE_NAME=GD_B1_169_22S100DB0138_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71528-01D SampleType:sample | Sampler:DBS InjectionNumber=170; Hemoglobin=7.08; SampleName=22S100DB0139; RAW_FILE_NAME=GD_B1_170_22S100DB0139_ZHP_Reinject; RPPFileName=GD_B1_170_22S100DB0139_RPP; RPNFileName=GD_B1_170_22S100DB0139_RPN; RAW_FILE_NAME=GD_B1_170_22S100DB0139_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_170_22S100DB0139_RPP.mzML RAW_FILE_NAME=GD_B1_170_22S100DB0139_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71528-01P SampleType:sample | Sampler:plasma InjectionNumber=171; Hemoglobin=0.29; SampleName=22S100DB0140; RAW_FILE_NAME=GD_B1_171_22S100DB0140_ZHP_Reinject; RPPFileName=GD_B1_171_22S100DB0140_RPP; RPNFileName=GD_B1_171_22S100DB0140_RPN; RAW_FILE_NAME=GD_B1_171_22S100DB0140_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_171_22S100DB0140_RPP.mzML RAW_FILE_NAME=GD_B1_171_22S100DB0140_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71528-01V SampleType:sample | Sampler:VAM InjectionNumber=173; Hemoglobin=3.73; SampleName=22S100DB0141; RAW_FILE_NAME=GD_B1_173_22S100DB0141_ZHP_Reinject; RPPFileName=GD_B1_173_22S100DB0141_RPP; RPNFileName=GD_B1_173_22S100DB0141_RPN; RAW_FILE_NAME=GD_B1_173_22S100DB0141_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_173_22S100DB0141_RPP.mzML RAW_FILE_NAME=GD_B1_173_22S100DB0141_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70467-01D SampleType:sample | Sampler:DBS InjectionNumber=174; Hemoglobin=7.67; SampleName=22S100DB0142; RAW_FILE_NAME=GD_B1_174_22S100DB0142_ZHP_Reinject; RPPFileName=GD_B1_174_22S100DB0142_RPP; RPNFileName=GD_B1_174_22S100DB0142_RPN; RAW_FILE_NAME=GD_B1_174_22S100DB0142_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_174_22S100DB0142_RPP.mzML RAW_FILE_NAME=GD_B1_174_22S100DB0142_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70467-01V SampleType:sample | Sampler:VAM InjectionNumber=175; Hemoglobin=5.9; SampleName=22S100DB0143; RAW_FILE_NAME=GD_B1_175_22S100DB0143_ZHP_Reinject; RPPFileName=GD_B1_175_22S100DB0143_RPP; RPNFileName=GD_B1_175_22S100DB0143_RPN; RAW_FILE_NAME=GD_B1_175_22S100DB0143_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_175_22S100DB0143_RPP.mzML RAW_FILE_NAME=GD_B1_175_22S100DB0143_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70467-01P SampleType:sample | Sampler:plasma InjectionNumber=176; Hemoglobin=0.29; SampleName=22S100DB0144; RAW_FILE_NAME=GD_B1_176_22S100DB0144_ZHP_Reinject; RPPFileName=GD_B1_176_22S100DB0144_RPP; RPNFileName=GD_B1_176_22S100DB0144_RPN; RAW_FILE_NAME=GD_B1_176_22S100DB0144_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_176_22S100DB0144_RPP.mzML RAW_FILE_NAME=GD_B1_176_22S100DB0144_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70522-01D SampleType:sample | Sampler:DBS InjectionNumber=177; Hemoglobin=7.96; SampleName=22S100DB0145; RAW_FILE_NAME=GD_B1_177_22S100DB0145_ZHP_Reinject; RPPFileName=GD_B1_177_22S100DB0145_RPP; RPNFileName=GD_B1_177_22S100DB0145_RPN; RAW_FILE_NAME=GD_B1_177_22S100DB0145_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_177_22S100DB0145_RPP.mzML RAW_FILE_NAME=GD_B1_177_22S100DB0145_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70522-01V SampleType:sample | Sampler:VAM InjectionNumber=178; Hemoglobin=10.02; SampleName=22S100DB0146; RAW_FILE_NAME=GD_B1_178_22S100DB0146_ZHP_Reinject; RPPFileName=GD_B1_178_22S100DB0146_RPP; RPNFileName=GD_B1_178_22S100DB0146_RPN; RAW_FILE_NAME=GD_B1_178_22S100DB0146_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_178_22S100DB0146_RPP.mzML RAW_FILE_NAME=GD_B1_178_22S100DB0146_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70522-01P SampleType:sample | Sampler:plasma InjectionNumber=179; Hemoglobin=0.39; SampleName=22S100DB0147; RAW_FILE_NAME=GD_B1_179_22S100DB0147_ZHP_Reinject; RPPFileName=GD_B1_179_22S100DB0147_RPP; RPNFileName=GD_B1_179_22S100DB0147_RPN; RAW_FILE_NAME=GD_B1_179_22S100DB0147_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_179_22S100DB0147_RPP.mzML RAW_FILE_NAME=GD_B1_179_22S100DB0147_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71917-01D SampleType:sample | Sampler:DBS InjectionNumber=180; Hemoglobin=3.24; SampleName=22S100DB0148; RAW_FILE_NAME=GD_B1_180_22S100DB0148_ZHP_Reinject; RPPFileName=GD_B1_180_22S100DB0148_RPP; RPNFileName=GD_B1_180_22S100DB0148_RPN; RAW_FILE_NAME=GD_B1_180_22S100DB0148_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_180_22S100DB0148_RPP.mzML RAW_FILE_NAME=GD_B1_180_22S100DB0148_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71917-01P SampleType:sample | Sampler:plasma InjectionNumber=181; Hemoglobin=0.29; SampleName=22S100DB0149; RAW_FILE_NAME=GD_B1_181_22S100DB0149_ZHP_Reinject; RPPFileName=GD_B1_181_22S100DB0149_RPP; RPNFileName=GD_B1_181_22S100DB0149_RPN; RAW_FILE_NAME=GD_B1_181_22S100DB0149_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_181_22S100DB0149_RPP.mzML RAW_FILE_NAME=GD_B1_181_22S100DB0149_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71917-01V SampleType:sample | Sampler:VAM InjectionNumber=182; Hemoglobin=5.34; SampleName=22S100DB0150; RAW_FILE_NAME=GD_B1_182_22S100DB0150_ZHP_Reinject; RPPFileName=GD_B1_182_22S100DB0150_RPP; RPNFileName=GD_B1_182_22S100DB0150_RPN; RAW_FILE_NAME=GD_B1_182_22S100DB0150_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_182_22S100DB0150_RPP.mzML RAW_FILE_NAME=GD_B1_182_22S100DB0150_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71707-01D SampleType:sample | Sampler:DBS InjectionNumber=184; Hemoglobin=3.77; SampleName=22S100DB0151; RAW_FILE_NAME=GD_B1_184_22S100DB0151_ZHP_Reinject; RPPFileName=GD_B1_184_22S100DB0151_RPP; RPNFileName=GD_B1_184_22S100DB0151_RPN; RAW_FILE_NAME=GD_B1_184_22S100DB0151_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_184_22S100DB0151_RPP.mzML RAW_FILE_NAME=GD_B1_184_22S100DB0151_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71707-01V SampleType:sample | Sampler:VAM InjectionNumber=185; Hemoglobin=7.17; SampleName=22S100DB0152; RAW_FILE_NAME=GD_B1_185_22S100DB0152_ZHP_Reinject; RPPFileName=GD_B1_185_22S100DB0152_RPP; RPNFileName=GD_B1_185_22S100DB0152_RPN; RAW_FILE_NAME=GD_B1_185_22S100DB0152_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_185_22S100DB0152_RPP.mzML RAW_FILE_NAME=GD_B1_185_22S100DB0152_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71707-01P SampleType:sample | Sampler:plasma InjectionNumber=186; Hemoglobin=0.29; SampleName=22S100DB0153; RAW_FILE_NAME=GD_B1_186_22S100DB0153_ZHP_Reinject; RPPFileName=GD_B1_186_22S100DB0153_RPP; RPNFileName=GD_B1_186_22S100DB0153_RPN; RAW_FILE_NAME=GD_B1_186_22S100DB0153_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_186_22S100DB0153_RPP.mzML RAW_FILE_NAME=GD_B1_186_22S100DB0153_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71185-01V SampleType:sample | Sampler:VAM InjectionNumber=187; Hemoglobin=6.49; SampleName=22S100DB0154; RAW_FILE_NAME=GD_B1_187_22S100DB0154_ZHP_Reinject; RPPFileName=GD_B1_187_22S100DB0154_RPP; RPNFileName=GD_B1_187_22S100DB0154_RPN; RAW_FILE_NAME=GD_B1_187_22S100DB0154_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_187_22S100DB0154_RPP.mzML RAW_FILE_NAME=GD_B1_187_22S100DB0154_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71185-01P SampleType:sample | Sampler:plasma InjectionNumber=188; Hemoglobin=1.21; SampleName=22S100DB0155; RAW_FILE_NAME=GD_B1_188_22S100DB0155_ZHP_Reinject; RPPFileName=GD_B1_188_22S100DB0155_RPP; RPNFileName=GD_B1_188_22S100DB0155_RPN; RAW_FILE_NAME=GD_B1_188_22S100DB0155_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_188_22S100DB0155_RPP.mzML RAW_FILE_NAME=GD_B1_188_22S100DB0155_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71185-01D SampleType:sample | Sampler:DBS InjectionNumber=189; Hemoglobin=3; SampleName=22S100DB0156; RAW_FILE_NAME=GD_B1_189_22S100DB0156_ZHP_Reinject; RPPFileName=GD_B1_189_22S100DB0156_RPP; RPNFileName=GD_B1_189_22S100DB0156_RPN; RAW_FILE_NAME=GD_B1_189_22S100DB0156_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_189_22S100DB0156_RPP.mzML RAW_FILE_NAME=GD_B1_189_22S100DB0156_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70214-02D SampleType:sample | Sampler:DBS InjectionNumber=190; Hemoglobin=6.81; SampleName=22S100DB0157; RAW_FILE_NAME=GD_B1_190_22S100DB0157_ZHP_Reinject; RPPFileName=GD_B1_190_22S100DB0157_RPP; RPNFileName=GD_B1_190_22S100DB0157_RPN; RAW_FILE_NAME=GD_B1_190_22S100DB0157_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_190_22S100DB0157_RPP.mzML RAW_FILE_NAME=GD_B1_190_22S100DB0157_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70214-02P SampleType:sample | Sampler:plasma InjectionNumber=191; Hemoglobin=0.29; SampleName=22S100DB0158; RAW_FILE_NAME=GD_B1_191_22S100DB0158_ZHP_Reinject; RPPFileName=GD_B1_191_22S100DB0158_RPP; RPNFileName=GD_B1_191_22S100DB0158_RPN; RAW_FILE_NAME=GD_B1_191_22S100DB0158_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_191_22S100DB0158_RPP.mzML RAW_FILE_NAME=GD_B1_191_22S100DB0158_RPN.mzML SUBJECT_SAMPLE_FACTORS - 70214-02V SampleType:sample | Sampler:VAM InjectionNumber=192; Hemoglobin=3.7; SampleName=22S100DB0159; RAW_FILE_NAME=GD_B1_192_22S100DB0159_ZHP_Reinject; RPPFileName=GD_B1_192_22S100DB0159_RPP; RPNFileName=GD_B1_192_22S100DB0159_RPN; RAW_FILE_NAME=GD_B1_192_22S100DB0159_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_192_22S100DB0159_RPP.mzML RAW_FILE_NAME=GD_B1_192_22S100DB0159_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71867-01D SampleType:sample | Sampler:DBS InjectionNumber=193; Hemoglobin=3.24; SampleName=22S100DB0160; RAW_FILE_NAME=GD_B1_193_22S100DB0160_ZHP_Reinject; RPPFileName=GD_B1_193_22S100DB0160_RPP; RPNFileName=GD_B1_193_22S100DB0160_RPN; RAW_FILE_NAME=GD_B1_193_22S100DB0160_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_193_22S100DB0160_RPP.mzML RAW_FILE_NAME=GD_B1_193_22S100DB0160_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71867-01P SampleType:sample | Sampler:plasma InjectionNumber=195; Hemoglobin=0.98; SampleName=22S100DB0161; RAW_FILE_NAME=GD_B1_195_22S100DB0161_ZHP_Reinject; RPPFileName=GD_B1_195_22S100DB0161_RPP; RPNFileName=GD_B1_195_22S100DB0161_RPN; RAW_FILE_NAME=GD_B1_195_22S100DB0161_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_195_22S100DB0161_RPP.mzML RAW_FILE_NAME=GD_B1_195_22S100DB0161_RPN.mzML SUBJECT_SAMPLE_FACTORS - 71867-01V SampleType:sample | Sampler:VAM InjectionNumber=196; Hemoglobin=3.21; SampleName=22S100DB0162; RAW_FILE_NAME=GD_B1_196_22S100DB0162_ZHP_Reinject; RPPFileName=GD_B1_196_22S100DB0162_RPP; RPNFileName=GD_B1_196_22S100DB0162_RPN; RAW_FILE_NAME=GD_B1_196_22S100DB0162_ZHP_Reinject.mzML RAW_FILE_NAME=GD_B1_196_22S100DB0162_RPP.mzML RAW_FILE_NAME=GD_B1_196_22S100DB0162_RPN.mzML #COLLECTION CO:COLLECTION_SUMMARY 54 participants had a venous blood draw into K2EDTA tubes which were aliquoted CO:COLLECTION_SUMMARY into whole blood and plasma aliquots. From the whole blood aliquot, whole blood CO:COLLECTION_SUMMARY DBS were generated by aliquoting 50 uL onto a Whatman. Whole blood VAMs were CO:COLLECTION_SUMMARY collected using the 10 uL Mitra sampling device. 10 uL plasma aliquot was also CO:COLLECTION_SUMMARY preserved. CO:SAMPLE_TYPE Blood (whole) #TREATMENT TR:TREATMENT_SUMMARY This study compares whole blood and plasma from the same participant. There is TR:TREATMENT_SUMMARY no treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In allocated randomized order, 5-mm DBS punches, 10 uL blood microsamplers, and SP:SAMPLEPREP_SUMMARY 10 uL plasma aliquots were thawed on ice and placed into microcentrifuge tubes. SP:SAMPLEPREP_SUMMARY 100 uL of water was added, vortexed, and 5 uL reserved for hemoglobin analysis. SP:SAMPLEPREP_SUMMARY 400 uL of acetonitrile containing internal standards was added, vortexed, stored SP:SAMPLEPREP_SUMMARY at -20C overnight to precipitate proteins, and centrifuged the next day. Two SP:SAMPLEPREP_SUMMARY aliquots of the supernatant were evaporated to dryness and stored in -80°C SP:SAMPLEPREP_SUMMARY until analysis with LC-HRMS. From all samples, 40 uL of the supernatant were SP:SAMPLEPREP_SUMMARY combined to generate a pooled QC sample. Following the same extraction protocol SP:SAMPLEPREP_SUMMARY a 5-mm blank punch from adjacent Whatman paper and a blank microsampler pen were SP:SAMPLEPREP_SUMMARY extracted from 5 participants, respectively. Similarly, plasma was replaced with SP:SAMPLEPREP_SUMMARY 10 uL of water and extracted. The respective extracts were pooled to generate a SP:SAMPLEPREP_SUMMARY matrix plasma (matrix P), matrix DBS (matrix D), and matrix VAM (matrix V). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC positive CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME SeQuant ZIC-HILIC (100 x 2.1mm,3.5um) CH:SOLVENT_A 0.1% formic acid in water CH:SOLVENT_B 0.1% formic acid in acetonitrile CH:FLOW_GRADIENT 95% B for 1.5 min, decreasing to 40% B in 10.5 min, followed by a 2 min hold, a CH:FLOW_GRADIENT decrease to 25% B in 0.2 min and a hold for 2.8 min at 25%B CH:FLOW_RATE 0.300 mL/min flow rate CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Full mass spectra were acquired at 1.67 spectra/s in the range 40–1200 m/z. MS:MS_COMMENTS Parameters for peak picking grouping, and alignment with ‘XCMS’ included MS:MS_COMMENTS centwave feature detection, orbiwarp retention time correction, minimum fraction MS:MS_COMMENTS of samples in one group to be a valid group = 0.25, isotopic ppm error = 10. The MS:MS_COMMENTS resulting peak table of retention times, m/z values, and peak areas was exported MS:MS_COMMENTS for data processing. Missing values in the peak table were filled using the MS:MS_COMMENTS peakFill() function in XCMS. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundance MS_METABOLITE_DATA_START Samples matrixD1 matrixV1 matrixP1 matrixD2 matrixV2 matrixP2 LQC1 LQC2 LQC3 LQC4 LQC5 LQC6 LQC7 LQC8 LQC9 LQC10 LQC11 LQC12 LQC13 LQC14 LQC15 LQC16 LQC17 LQC18 LQC19 70823-02P 70823-02V 70823-02D 72173-01V 72173-01P 72173-01D 71330-01P 71330-01D 71330-01V 70833-01P 70833-01V 70833-01D 71906-01V 71906-01D 71906-01P 71530-01P 71530-01D 71530-01V 70784-01V 70784-01P 70784-01D 71522-01V 71522-01P 71522-01D 71939-01D 71939-01P 71939-01V 70226-03P 70226-03D 70226-03V 71751-01P 71751-01V 71751-01D 70632-01V 70632-01D 70632-01P 71446-01V 71446-01D 71446-01P 70969-01P 70969-01D 70969-01V 70732-01V 70732-01P 70732-01D 70607-01D 70607-01V 70607-01P 71766-01V 71766-01D 71766-01P 71843-01P 71843-01V 71843-01D 71551-01P 71551-01D 71551-01V 72144-01D 72144-01V 72144-01P 72031-01V 72031-01D 72031-01P 71050-01D 71050-01V 71050-01P 70978-01V 70978-01P 70978-01D 72108-01P 72108-01V 72108-01D 71409-01P 71409-01V 71409-01D 70098-01V 70098-01P 70098-01D 71585-01V 71585-01P 71585-01D 71303-01P 71303-01D 71303-01V 71589-01V 71589-01D 71589-01P 70490-01D 70490-01V 70490-01P 71944-01D 71944-01P 71944-01V 72021-01V 72021-01D 72021-01P 71688-01D 71688-01V 71688-01P 71141-01P 71141-01D 71141-01V 70645-01D 70645-01V 70645-01P 70557-01D 70557-01P 70557-01V 70705-01P 70705-01V 70705-01D 70808-01P 70808-01V 70808-01D 71289-01D 71289-01V 71289-01P 71674-01V 71674-01D 71674-01P 71664-01D 71664-01P 71664-01V 71747-01V 71747-01P 71747-01D 71564-01D 71564-01P 71564-01V 70468-01P 70468-01V 70468-01D 71678-01D 71678-01P 71678-01V 70404-01V 70404-01D 70404-01P 71528-01D 71528-01P 71528-01V 70467-01D 70467-01V 70467-01P 70522-01D 70522-01V 70522-01P 71917-01D 71917-01P 71917-01V 71707-01D 71707-01V 71707-01P 71185-01V 71185-01P 71185-01D 70214-02D 70214-02P 70214-02V 71867-01D 71867-01P 71867-01V Factors SampleType:matrix | Sampler:plasma SampleType:matrix | Sampler:VAM SampleType:matrix | Sampler:DBS SampleType:matrix | Sampler:plasma SampleType:matrix | Sampler:VAM SampleType:matrix | Sampler:DBS SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:PooledQC | Sampler:LQC SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:plasma SampleType:sample | Sampler:DBS SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM SampleType:sample | Sampler:DBS SampleType:sample | Sampler:plasma SampleType:sample | Sampler:VAM Mono (5-carboxy-2-ethylpentyl) phthalate (DEHP) NA NA NA NA NA NA 24638.97382 22854.27288 22639.73849 21580.86387 22623.17939 20390.57901 22345.3333 18382.25863 21969.41976 22764.2656 19030.49342 17364.01047 18043.26106 17079.57898 14299.75036 19071.09984 17013.08414 17945.06017 17973.10877 14346.84108 17771.98582 34236.13316 12501.13657 13320.33902 29397.4531 15201.61667 28764.93848 14424.71386 10811.70043 9426.58839 22913.62709 17801.70636 40922.9093 17055.93931 14856.66896 73912.8444 14760.19162 12047.51822 9919.475606 80613.27546 22244.87116 9862.607445 43683.68699 23594.57884 12265.93714 7309.924864 17297.88684 1003897.886 15609.23643 11760.8545 6505.428329 20600.50605 15022.30997 25083.4924 12775.84161 16170.5532 33066.00766 17654.40753 14412.04579 25904.95804 10031.06754 16979.37836 8776.371299 27404.11116 29536.29261 9416.058332 11890.59643 7791.921276 14788.16616 9964.559861 15558.94495 12761.45083 79576.22175 10807.13427 45158.9066 10194.1442 26418.05386 8717.710501 10267.68138 9773.136498 49682.21675 23861.12503 23286.48727 15147.26494 14404.85958 13143.46805 13163.05609 19311.68043 14093.86298 8088.268294 17628.51253 9490.59588 11764.22165 126396.4831 9775.998984 15244.63861 23729.51834 10478.18943 13632.51532 23291.0616 10606.79408 30058.39381 8937.225747 11426.99321 25335.70353 15632.48234 20240.08307 12644.33304 12438.65917 46014.20454 8437.881867 9832.267091 8229.707796 27672.99983 14938.71984 41687.79837 14763.90332 15163.93242 12062.5365 23955.58725 14703.22849 33641.18732 13483.55295 15388.60665 227208.8354 13912.87839 13539.64212 9903.197121 30831.12838 179491.598 10670.37153 4949.868432 14470.84389 25132.12707 11608.08008 9919.73807 11614.58727 27777.29936 12692.42817 74028.80053 6424.62552 12701.26821 10694.51142 10125.18018 33228.3406 27933.99884 9181.071353 9574.389297 9236.190287 15010.54071 23981.88781 31997.43799 10376.4265 45102.06582 13528.94522 94768.00388 12085.66845 19642.18674 7818.808552 12174.49975 27418.5824 19119.33865 14820.72383 79387.394 10084.53897 11866.35983 17259.99645 16128.08041 12882.75041 21174.94936 12816.20281 11683.47353 11472.13994 9146.363118 127005.7135 166270.5931 10960.90871 8902.268955 57030.17948 6174.191973 8164.680771 Mono-isodecyl phthalate NA NA NA NA NA NA 14336.36371 12101.58724 12549.44099 11759.29833 16875.58463 13946.19259 14764.26695 14448.11615 13762.75534 14323.21448 15756.24261 12062.21476 10934.45747 11574.24338 13977.91558 14353.54652 13314.09157 12602.04822 12918.74488 3181.958942 10557.50139 12890.07502 12497.07376 2590.222058 10951.17011 4084.383275 10538.90535 10980.30359 4199.558705 10407.48202 12890.97458 13632.71989 14064.36596 2606.42715 4581.487888 13816.89705 19161.04569 10572.38367 2456.7682 11630.91941 11938.53335 3036.101155 9345.410867 11974.67064 3170.837417 9577.75317 3015.937043 11049.44253 10722.38802 1641.723565 16557.45157 12002.16549 8613.014356 9115.06368 2404.082522 14982.20395 17952.60948 4248.502225 3120.433785 12222.96733 10871.9346 13813.45422 2354.558279 11494.2425 10083.75685 13534.5905 3146.766396 10501.44017 10146.32028 2473.215354 2906.882629 15564.71964 10733.18517 2806.996823 13287.53062 12664.1063 13306.96077 7487.15812 4183.681338 13294.0723 17607.08991 3250.177024 10692.35612 9953.879775 5618.173471 13305.43012 2580.226479 16121.10501 2643.192647 12072.24057 14801.47426 1191.040965 12513.38525 10643.12983 11263.09799 3487.87024 10520.09912 13013.12972 2159.858843 7712.374437 3227.440884 14625.54496 9386.025895 17533.01835 16709.79516 3866.428341 9280.171048 12565.46971 2059.344802 9662.674267 2583.177044 8642.36048 20795.96832 21368.19327 2254.353747 8433.904332 5970.783702 3777.903059 1968.568213 14227.27395 12823.51603 13097.2691 14586.43293 2033.304018 15801.32149 2668.099459 9387.666294 2057.007548 10150.61944 10690.44604 1864.546944 11884.24428 9166.577331 15288.25628 16772.20541 4765.355541 16574.14741 19200.28839 3236.965137 7322.841572 868.8493055 8833.97486 9050.463671 3454.465281 10537.29387 14210.22317 2477.569762 12728.97717 1948.856931 9824.246216 12434.57093 14290.49312 2463.103077 17036.50912 7133.390164 7265.246138 3601.978666 10846.51289 2762.626378 16065.30731 9841.263031 7052.654209 2314.028229 9474.089727 8108.004951 2890.507507 11047.5285 2349.809002 12792.17312 10756.2922 10883.32564 2235.822324 8386.858013 2729.48987 8085.672394 15989.29931 2643.139143 12522.89368 7775.23318 2208.055872 6046.352348 Cholesterol NA NA NA NA NA NA 2825650.385 2865764.807 2801823.001 3078163.187 2983734.229 2948740.066 3046883.334 3124911.483 2997325.935 2773458.658 2963712.494 2611931.987 2511102.626 2900351.486 2667907.666 2766549.609 2870112.051 2620194.25 2670095.682 2081071.957 3364005.075 4234894.362 3824676.355 3712884.886 3869166.641 3029847.868 3909400.234 4169553.638 2738282.091 3736146.501 3702405.086 3111406.77 3118487.875 3233623.901 4107923.555 3213353.21 4059253.437 3355938.419 2795172.709 3217727.59 3306653.244 3984587.34 4191594.686 4290011.19 3085771.834 3256947.449 3149598.53 3373612.099 3641569.44 3715632.566 2850485.49 2844349.604 2785811.179 2928564.608 2032668.169 3828337.445 4012073.491 3432827.268 2029789.887 3253894.863 3481918.491 3999240.703 1722679.078 4562733.619 3989596.389 3603757.637 3088607.515 2452860.116 2699764.24 1695588.522 2410082.551 4102241.617 4053045.985 3340583.4 3401738.675 3565691.686 3435882.236 3720566.38 2374937.215 2646516.637 2600427.298 4162189.991 3687503.906 4241663.5 4296445.591 3278116.178 3360325.02 3742654.393 2817888.213 4144784.903 3894405.125 2500665.977 4379292.277 4957206.256 4587560.346 3795730.155 5294573.358 3127973.637 3763849.011 3145057.954 4594313.403 4957674.445 4188289.566 4469026.177 4879420.441 1474396.911 2958555.971 2993872.967 2319775.642 3809600.182 4224853.734 4139786.875 2601255.293 2788873.655 5610335.911 2985979.507 2955018.042 2395202.654 2751126.516 3869110.211 3561307.041 2836044.179 2758119.526 4035237.4 3746100.817 2164500.829 3901263.14 2474121.92 3852897.613 3948296.152 2582615.885 2593589.25 2136334.652 3645296.483 3283806.798 1790859.277 2975175.622 3455605.502 2292713.892 2631302.991 2047444.79 2536838.647 3458731.667 3213337.859 3520894.933 3004284.913 1610132.828 3258500.452 3146171.976 2613997.623 3076182.751 4079890.726 3128443.702 3658640.564 3939886.939 3343876.224 3603002.441 2713515.153 2057743.353 2751478.357 3485581.222 2979966.655 2065075.965 3526539.076 3699638.19 2529324.523 3540564.429 2248323.222 4268210.057 2380718.851 3065936.065 4584925.795 3303637.35 2561957.769 2904023.252 3768213.341 3233080.948 3403577.824 1828714.732 2854119.037 1630926.292 1-Linoleoylglycerol 16532.47411 57437.95623 89464.46647 179872.385 128235.0966 174287.5528 211370.8252 222206.9467 226469.7865 214913.5515 218081.2527 200331.8192 213440.0198 220088.9484 210759.2455 220307.5068 231532.6407 249835.5401 216514.2398 214889.691 216530.3614 235940.3491 218572.7721 202434.2938 209427.824 234507.9289 165958.8679 173328.7427 148948.4184 210206.993 181496.8785 253224.8176 160289.7471 157757.6833 263223.4631 148414.0074 142845.3165 132178.422 141721.1343 248476.9645 237292.5183 476399.4404 141251.636 254646.7072 268509.5444 198615.4113 144522.0765 268524.4956 244575.2099 167259.6397 354452.9162 156756.4047 278666.7073 140670.2216 179690.8757 306987.0555 131058.3802 173370.4165 193546.4047 242599.2149 293179.8977 178226.0806 186275.6274 347240.2263 261602.1911 164809.0325 182322.1179 178989.0584 276557.6327 201366.8077 214210.5295 162323.9128 271470.3812 140446.0726 169298.1631 272367.1189 263452.2476 178161.3495 243937.5762 286663.1103 173999.8812 184411.2059 200881.8548 178520.6697 235782.2498 207260.5753 157283.8851 226751.6904 193733.1284 184826.9154 273185.3872 158497.6617 324271.7221 166425.2639 313206.9504 177106.7914 179879.879 264631.0215 198056.1964 238421.0722 183630.8215 272245.2797 180764.1091 130914.7977 293496.6863 161170.7506 280377.1793 212917.7244 152365.2977 159931.2528 214660.9846 278339.1651 207597.2493 154094.7495 257860.3461 165144.5864 295800.4644 192473.9762 119231.7204 150325.6692 303681.9055 247788.1714 168954.9059 266031.3313 307107.7169 197076.1674 208509.2473 189942.7069 159454.2453 291810.9691 198489.7429 322825.3575 179447.4454 301176.668 178144.6944 219628.3787 285962.2266 169936.0546 154035.1454 194640.2976 340035.7873 291576.8117 236764.9704 227544.3657 264022.9877 166321.5444 378634.3283 132426.4977 193788.4027 254952.7424 197944.4217 205413.9812 296757.0398 176242.5385 288075.9317 182158.9435 178257.9144 178033.8486 297926.2796 149365.1727 224548.3372 237424.9689 332533.5223 129394.0341 285348.7038 287971.9247 219084.0159 186948.6267 254767.2569 233530.8871 218367.0255 253452.8895 170383.4333 248734.5037 156218.0952 155406.0903 153687.3721 272450.8326 233060.9804 254920.4457 169431.1298 204803.9102 257056.4616 214961.1303 132756.1057 255598.3563 159014.7694 1-Arachidonoylglycerol NA NA NA NA NA NA NA 27530.09153 NA NA NA 41434.1808 42731.964 19320.89832 37797.72982 28253.4065 NA NA NA NA 320945.6508 NA NA 26620.54174 16790.48326 208437.7621 NA 13264.83092 NA 20765.55855 20692.39686 76780.72986 NA NA 25861.61655 NA NA 44989.85433 11481.88011 36677.52131 26520.9083 6454.567412 NA NA 28336.24234 8574.221424 213391.6883 21009.25772 34158.93886 16193.62569 23174.07794 43026.78446 17450.06004 25631.1934 30260.96843 18693.7462 NA 12253.38539 NA 9727.15196 27647.32616 51011.13622 7201.737717 21431.52257 32849.86964 9702.437511 24521.40699 NA 19140.34532 14166.84729 14191.85087 39853.25588 36019.35424 23398.93156 8868.565447 18719.41349 34402.99229 NA 11089.45729 20996.4601 11997.64532 31240.72835 NA NA 43403.66532 NA 7725.095353 15293.74265 14600.41223 29964.74848 18687.38384 NA 39318.73592 8740.895599 17923.11471 NA 18762.09543 15344.69934 26122.08849 15927.26485 40461.57197 30954.73817 NA 39803.36732 21838.47742 9965.407565 21724.04819 21649.69676 38766.28557 57083.85838 4348.78456 39475.42857 15623.03885 24890.87847 22568.14233 21586.10224 17933.09115 51795.21817 53636.0715 8276.199422 18780.39297 16699.26734 NA 23194.78345 20586.72767 8781.464002 27734.64412 12939.78353 21874.39484 29770.70031 11305.48274 13809.1268 25063.09895 30759.33006 28459.56884 13041.63755 NA 31238.2605 14714.25025 9533.743074 27059.14726 17698.06344 NA NA 21622.0694 NA 17390.47424 13877.07001 90330.75778 20108.90514 13380.60559 NA 24266.66163 46534.26982 96572.82901 21798.63457 9806.266341 10442.09821 22665.6804 NA NA 11399.77269 20200.08659 3299.035239 14288.56904 NA NA 29372.06584 26876.56406 11404.70875 37830.52499 24438.43607 122658.3568 41831.93144 NA 9474.950717 NA 33643.4044 NA 24748.44154 29050.62274 11186.29768 18947.2482 273552.88 7068.046655 15690.20952 NA Dodecanedioic acid NA NA NA NA NA NA 66773.63672 65481.83222 64643.77352 NA NA 56008.76978 66526.84258 58357.60877 63520.34184 62136.59803 60059.29791 64584.89004 56259.47064 60354.2408 53339.31405 58375.68783 62453.02818 51890.27835 53867.50911 NA 68548.33473 NA 90346.87768 NA 97431.36886 NA NA 75567.17271 NA 70490.03861 82083.0532 74573.68066 NA 56101.83501 41272.7267 NA 74690.4254 66513.75952 59794.1752 49867.02334 67155.71481 47311.75737 NA NA 39666.67706 56518.74711 41148.36709 58125.67326 63239.82632 NA 56941.76007 NA 51946.16145 NA 23233.59055 56402.98494 NA 35570.90272 42804.23563 NA 53827.79123 70227.89183 36269.04361 NA NA 62899.08974 36234.45481 57267.77505 NA 47813.36569 43212.69665 74243.48846 80471.35008 38328.08432 NA 50052.99474 59816.50264 52354.84541 NA 36913.46316 NA NA NA 54577.5067 NA 48787.77982 NA 57089.87771 22246.36255 NA NA 42930.8486 71550.45378 NA 69597.43168 NA NA 56701.44663 41431.1018 NA 31257.83948 NA 66380.74358 78910.8641 NA 46143.63316 55213.79183 65995.75352 35854.93628 NA 29974.29503 59913.23772 50392.74373 NA NA 59617.59043 51920.6663 NA 42778.4122 NA 72013.82417 NA 52796.21639 39670.2918 68107.86831 26780.26976 61365.61959 NA 61263.25479 NA NA 53550.75917 45958.24768 78156.02401 72014.11506 40847.77533 62171.06138 NA 64464.5006 NA NA 47216.67019 53656.16161 NA NA NA NA 66108.93364 42023.36625 53217.1843 NA 85777.59061 NA 71509.16001 55629.38102 NA 40077.77076 NA NA 45365.17382 64464.79242 61034.71426 52763.57364 NA 54211.05418 40670.6287 NA NA 78080.80373 61845.83629 NA NA 73624.30215 NA NA NA NA 51123.66122 NA NA 26976.93418 Oleamide NA 13922.07959 16221.19884 31930.6652 37363.90844 47811.17282 38707.86681 54479.93599 39830.47635 37090.51214 38627.22617 41099.63558 43257.99399 38962.76842 44737.49473 39324.26729 38604.82833 42111.41425 53690.89718 41140.31364 31276.28508 45566.22273 36553.58122 96549.00279 99621.43584 36621.55498 32832.76005 30422.15934 29063.87364 49886.04925 43355.23401 70806.18891 23421.06573 37290.82426 45401.84594 27678.93816 23433.46946 27943.35558 18077.64974 56884.41247 62743.18603 23935.43321 31845.55061 38077.44808 52266.98031 42180.38378 20727.45793 54171.36927 25181.35853 23977.99202 65695.81903 46587.86737 70566.64067 22276.78038 19191.85332 55807.4452 23183.99987 19330.8368 40407.22785 33570.95899 93253.82713 35509.70643 34272.05015 65395.00546 67967.08647 25118.39087 36622.33779 33550.76678 109219.7552 43820.30435 31616.85828 41779.59101 50213.37257 20504.74727 21136.75637 96561.31481 40925.65833 34169.52087 25520.50928 46688.09901 31964.12191 41641.21025 40841.73779 27982.78798 105209.0875 42130.49101 31379.83413 51188.74988 43317.79244 39334.61931 84998.69547 30749.97027 71920.19752 24953.48091 100622.6422 40293.06929 34416.76993 77074.58566 40069.60433 43108.54469 66723.70632 76681.8218 47857.23366 23950.53999 69050.5142 28767.72356 67408.54365 29578.30853 31936.41531 40912.72788 34325.4365 73673.5586 70176.25299 29791.4699 66165.138 26989.88838 62965.40625 24498.71364 39654.67644 19756.32244 72649.16598 44606.67717 35155.44231 75243.70079 50023.2292 45615.52021 52615.64057 32673.1417 30064.28966 53191.83559 31970.79657 62535.73658 49189.51283 60280.65638 56753.60624 36634.58906 68418.16416 31026.43242 21011.58795 23042.51516 28069.61485 82220.11447 64321.93917 38309.32428 37617.34429 30721.5224 39023.38972 86685.40865 581514.2313 56478.90765 28409.76955 49405.51765 93123.46044 64808.96628 43338.12936 35894.44275 22979.3432 32518.30159 50239.86155 33595.99458 57473.00171 41546.2043 63962.48419 19461.00421 110843.4758 30228.53214 28675.37349 50366.42665 51858.59363 52566.40004 35698.89512 48078.27833 25196.12219 81878.56355 71896.85182 50409.28494 31669.39819 58171.37627 29569.96178 53481.35806 29488.39082 55423.43732 65621.8329 77932.43086 16772.20952 64675.0893 26032.30374 3-(2-Hydroxyphenyl)Propanoic acid 1974.4622 3780.29296 9205.895578 5241.163415 4730.307746 7087.907925 2770.823548 6322.412253 4059.449943 4927.124181 3910.020106 5077.837826 5365.421851 5570.396384 3516.242283 5470.910992 4264.310507 3219.457578 5922.678839 2766.080167 6090.924694 4454.797681 3169.302912 4962.672542 4669.353947 7250.4459 3660.80072 11306.78304 8351.35408 7323.152278 5628.481133 6602.890326 6700.080946 4103.699599 7037.338731 7849.896113 5919.487552 5524.94766 5607.40265 4825.181263 4836.824156 6255.683459 4945.212042 6778.802727 7262.591961 4644.279598 6792.461037 5073.38999 9928.116756 5616.249133 8876.536434 4762.820861 5666.818722 2038.678515 4329.582025 4335.628431 3714.310864 3219.610391 6055.652151 6220.644005 4366.776569 4350.806191 5477.300908 5264.231608 7051.732912 5264.019329 4353.551255 3418.944779 2747.226515 7037.04239 4145.640274 4770.083637 7318.550779 5718.659415 5382.53667 3838.289858 4968.44232 5773.415568 8330.93692 5763.715441 5000.354994 4229.35468 7959.055586 5980.698822 2127.491313 3714.40805 7660.036574 4325.071248 5537.774473 6210.283136 4139.169795 5083.232126 6418.666478 4911.007083 1640.691704 5008.305143 8159.835007 8568.503477 5136.976784 3306.349462 5154.542079 6265.495221 6577.69421 5453.123624 5483.44328 3936.768034 4327.775829 3365.799272 3764.463279 4080.638158 4808.48179 3781.644277 3438.956438 4942.574575 4332.44037 1926.35628 5214.887225 4531.64279 4594.449995 5223.27641 7183.487361 5738.533342 4514.342053 6470.623623 6784.530436 7506.866588 4205.886644 6991.642175 4895.851332 7496.863594 4815.645401 2198.828417 5085.455001 3633.606905 3939.396852 6570.422999 3687.624863 6528.049326 5431.004747 5427.394274 3955.535857 3874.905778 6152.381771 10049.19705 6664.406751 2598.729054 5297.554166 3568.375552 7281.021281 4599.09911 5463.813575 7217.898499 3585.346081 6483.012211 5361.675363 4662.372605 5424.32299 9118.840449 3917.657614 6275.89847 5213.664917 9962.058234 5378.656824 2497.433085 3381.008228 5859.487322 6094.540037 5653.561868 5723.929081 7237.323936 6068.445672 4773.017695 3900.008479 3164.612417 2913.903732 1498.968597 3975.801484 4305.475398 7436.067697 6340.752395 4305.968806 8106.53517 6079.916191 7523.327741 5150.475679 5916.66927 4096.055294 Heptyl paraben NA NA NA NA NA NA NA 12804.2842 NA NA NA NA NA 9874.404415 12692.61315 NA 11373.75942 NA 9453.164579 7458.994221 NA NA NA NA NA 23821.53023 18531.62386 25143.49409 13236.73115 22599.56407 16637.76291 29177.48938 19591.59503 NA 20060.2511 11032.98688 12486.36583 13201.26655 13279.54633 20697.25463 22057.20064 13317.69434 14139.7153 18154.12085 28319.64148 13431.26851 10847.94991 21963.75833 21103.59793 15547.88021 19516.76162 10715.20012 20364.17684 13237.52066 13028.20289 14606.03783 12285.65215 10828.61039 13190.48891 14467.29218 10886.66984 12629.54535 12859.24111 18064.48876 17370.5905 7670.673073 10151.23356 16783.02182 17111.79984 21018.98038 17113.85406 13941.66202 17516.3959 8092.539464 11061.46979 16127.0703 24574.60189 NA 20703.19475 22550.95611 15439.67626 13148.72761 20224.6388 14705.45542 8675.576482 11955.63904 19905.48795 17107.40874 17988.35671 14630.70526 18253.94804 16671.25768 20549.48574 18299.05023 9861.10602 NA 14642.15295 16813.16868 16942.97107 14550.5042 20484.57606 16291.17973 20075.61689 12055.03977 18137.10333 13293.1389 16224.1964 14866.35543 11955.73973 13401.25264 19089.90387 26039.94366 8672.347512 11927.54007 16016.20721 14547.62402 14568.72458 NA 7886.937344 14608.09525 23460.28027 17864.8212 14963.52623 14373.25611 19607.92635 17936.68373 17922.2634 14747.06235 8461.547102 14461.14431 15388.94424 13791.00152 15867.54097 19428.07962 14709.83866 18552.69177 14256.83276 13338.23493 12322.00918 16591.11936 NA 15170.33416 15020.24565 15091.82856 26679.03756 9538.564545 12769.45987 10069.3519 11290.60348 20090.66026 17693.01694 20587.03728 13942.05325 NA 18592.60419 14476.58636 15873.7679 16296.04435 16360.55546 14299.04537 11789.99718 17891.12383 14675.27313 11407.62684 13464.52801 13876.18466 16499.23162 19841.31994 23279.4758 19876.05549 NA 17349.98545 13831.57438 12834.85789 14300.81766 8858.739853 9795.756427 19684.11461 18023.6353 21486.42832 9332.88578 11254.03016 16371.42894 15084.74209 10497.98082 10200.68178 8554.498146 Mevalolactone NA NA NA NA NA NA 3585.265563 6008.325241 5591.26257 4386.393063 4868.368887 7000.263731 5814.940868 4254.28427 5013.989724 4012.36939 3491.340011 5087.622516 5378.305676 5534.598959 10298.76539 4863.262212 3011.609359 3515.309298 4048.115996 13227.38306 6067.205017 9483.567343 7095.929363 9385.598091 3603.713525 6180.354469 3044.131433 6355.535795 11864.67013 5361.003255 4478.989253 8767.396963 1933.420832 3128.0666 6167.529585 2051.096528 3965.485266 8489.912346 19773.5701 7775.083369 4476.04191 8799.367579 5169.770385 2815.335349 17636.87458 6807.809446 12636.26588 4864.010748 3874.284758 11794.34805 4954.789721 5088.144267 4988.94436 4472.865492 3813.766742 5030.474069 3716.51803 4315.436288 6227.385747 2158.511302 4141.236853 4041.505607 3458.194911 4504.373443 2746.075978 4686.061005 4173.767695 3153.33503 2948.084963 1595.634371 1841.061671 4323.413371 3572.840839 2426.596356 2179.325934 5499.366651 4343.936679 2166.290569 1147.675751 3662.09462 3047.440526 3901.612512 4011.175626 5014.468325 7147.223585 3289.331892 4810.416598 1967.109553 1364.609797 6153.570662 3387.706014 1245.408436 4490.298625 1683.231817 5851.942258 6238.899145 4302.45399 3130.31088 3600.334327 1778.01284 4486.697196 2219.766011 4100.016042 5798.815087 2308.390564 3159.214548 2885.202244 3679.105087 3503.092819 4194.096207 3288.904164 3870.673307 3630.591454 2186.149069 4337.74544 2221.508365 4698.194395 3296.525409 4438.088652 3812.475267 5457.343658 2003.533625 4904.024475 5311.671376 5776.668488 8540.08533 4361.367397 8437.318263 2145.99125 5983.959847 1508.583507 3645.265755 1999.915515 2718.736838 3612.538529 3704.406087 7380.8819 1858.505313 5231.591617 1903.551735 2085.969758 1852.342528 4592.818428 4185.939631 3037.91242 2487.261655 2388.589396 4397.477598 3126.13999 2802.211285 3517.13584 3071.400038 2389.124678 5742.632079 7168.005623 4432.118588 5163.45363 1587.896219 655.3401472 4378.663022 2900.946429 5321.78952 3226.098446 2427.719446 6166.316792 3439.268741 1381.853735 4035.305998 3692.118541 NA 3303.203129 7559.691296 4129.813638 2743.306997 1658.219316 2443.018675 3080.781759 3802.716775 646.9232992 2914.76322 3921.916407 3-hydroxyfluorene 21643.68592 31128.33511 70157.43647 39487.63545 28931.45708 82130.61109 19810.99692 17644.97519 14077.89604 15211.59563 16487.63479 14470.04104 13932.03548 15227.18747 15294.9955 12121.04576 21495.07749 6065.471059 13005.7909 25026.06497 11582.53041 23929.28154 12622.31387 9614.547902 10983.94198 29073.25323 7933.829793 11110.73716 6926.367554 37418.02984 21017.81207 32182.38511 14578.39891 13157.47781 36305.43559 8450.766566 2933.644725 5253.573531 9021.949353 27687.90359 65400.72533 6002.131126 2795.28715 14324.26654 30107.32219 NA NA 32801.02983 8136.169985 3187.795696 13243.09362 14948.93412 21002.26128 NA NA 16633.14535 4505.007811 4656.77988 21790.43155 52790.62054 90013.35742 24345.18263 62029.31571 99863.56605 109347.8045 28363.08797 25569.53452 27911.79533 130496.2772 72983.86784 30224.27099 27985.52166 123165.7577 17731.30497 38448.15588 90185.50415 148154.187 43940.76862 55327.61426 98157.44734 33948.97115 34322.44919 56678.63677 42711.39977 188520.5009 60902.56368 110820.2789 143419.1799 56965.48644 57483.00349 140676.6507 18330.306 91347.42135 29366.62107 90938.54981 41825.08832 73233.15252 145210.056 46507.33736 72042.30825 70106.88524 137757.6189 51605.86664 15353.77188 111904.5314 17809.4245 69325.56118 45979.18426 23180.78683 24531.66419 48671.46355 96723.73043 33553.48476 17659.79395 180019.2881 34021.99048 96949.94115 26425.35417 9710.573317 8500.186155 63851.18301 38951.37489 12416.94311 112232.3299 89620.738 42022.87404 18405.28772 27857.20277 15810.11355 61893.7365 13030.51773 29105.70591 8927.991029 25937.65132 5305.218241 21869.39504 61127.55664 11521.06159 9034.789645 14437.49714 10236.0932 77812.54518 22132.97787 29340.50551 48790.30628 NA 41504.72382 3635.693205 9527.872384 33892.01693 14314.42795 26707.99725 69733.20346 10460.36786 40600.57829 NA 12868.26997 25126.11187 96048.06998 13310.33795 12690.48073 85012.44506 52877.59537 NA 35239.33215 9177.899535 34830.78574 12409.04922 53252.00647 12202.20133 19822.11882 46388.3736 10954.69994 38129.35201 9668.830252 NA 3508.872185 27316.27521 11022.26246 25088.2624 NA 9424.660521 25122.21847 8285.151415 5768.639902 18850.3064 3580.180446 Cortisone NA NA NA NA NA NA 2758.438301 7943.522907 11747.34269 NA 9736.175856 119432.6663 21768.98706 7690.958593 39801.15718 6387.285668 6683.106672 17854.79414 5929.959555 11579.30643 744811.5807 5279.744189 11907.73737 6063.8644 4750.811782 262134.8262 NA 3346.297729 NA 20531.99513 14951.3168 48704.84109 1999.577572 14985.6326 25879.74174 NA NA 2184.566751 74877.57903 26668.92151 19932.01701 10595.38261 NA NA 25273.91702 4501.840266 14519.95596 40761.42744 33084.83543 21029.83245 35230.5014 3993.399054 23181.01607 37123.83999 1063.878495 32538.00925 NA 6709.146093 NA 6395.88076 21443.01747 NA 8321.67129 39462.50125 88317.06475 94395.63133 NA 5668.216895 19134.7025 6772.652345 22008.5536 11830.50758 136796.6008 NA 1499.892385 16504.31467 43018.80531 NA 2110.914713 23711.24618 4998.825366 NA 1990.725566 29530.88034 25145.98319 NA 1545.517819 23031.51708 10649.94201 NA 26093.92603 NA 133766.1216 10641.66265 57747.5967 2246.274015 42602.35344 17946.19366 NA NA 19178.76765 34483.71514 5473.0788 NA 24610.13339 5779.099726 22555.6782 61982.83116 NA NA 7082.833744 55266.35848 NA NA 13549.7719 57729.97836 17692.64666 NA 18607.16552 11935.03061 18967.46573 21178.60729 NA 36143.26879 19255.70214 64101.26836 NA 4613.653716 NA 114475.9219 18753.10545 24264.04499 8791.564873 51243.4794 NA 3330.236665 21640.65154 3162.998306 4135.839297 NA 25498.74781 23628.35056 NA 1709.393511 15534.36751 NA 15632.1727 NA 13430.46925 16455.88078 NA 30539.85246 29141.68403 NA 95252.08332 NA 2740.549608 NA 19124.79677 NA 9841.998006 2979.204381 20814.10422 NA 15569.13495 4295.075859 13454.86655 6273.555552 21042.24361 21260.24543 NA 57133.72592 229715.8704 35698.76235 2272.559245 NA NA 50487.2361 NA 26670.81417 93182.54543 11343.81596 35552.41309 97615.03304 5170.551613 26505.2874 NA Palmitoyl-EA NA NA NA NA NA NA 44289.29293 45593.42562 41901.75452 43664.26827 40748.00017 43819.54773 48457.35848 43588.90921 49377.53623 47602.96779 46497.45108 42283.45809 72658.16879 47506.47522 36987.53817 48353.67705 45204.80774 106723.008 105689.9878 37934.10687 12522.09627 24306.89159 14107.91001 32336.16509 46389.07671 51452.75808 28390.50483 19004.76092 26691.36311 14913.27704 21728.75202 15440.82119 20194.53774 37155.0438 41802.72664 20679.8524 16816.97926 17211.21012 32635.192 27528.02781 13743.92786 37158.85697 24018.32766 22547.79488 40961.79554 37786.99071 31683.72054 19127.31896 15313.86467 50040.26177 34769.55875 23679.35992 11953.35789 19621.38267 97670.26146 15030.82125 23217.93703 48790.61336 38396.71765 21577.81564 8798.82417 14464.96899 106617.8174 23864.58042 23827.77462 22204.34625 31189.95477 16409.72286 21845.18097 80056.47583 30041.25359 15879.33804 25571.09918 32804.57568 58036.2454 16105.24855 24643.53778 13030.48921 76935.73184 14004.8608 17831.99366 21768.34296 37188.79215 13801.2424 44232.97364 12436.59793 44114.18527 16590.62709 122772.0195 15709.36991 15096.03745 22303.98032 18334.81109 32453.3742 25553.86809 28434.4079 51831.29461 13423.26244 36818.93706 14075.32535 48072.13957 20450.03472 17856.48032 16049.3259 25641.00387 48329.30016 74966.53452 22224.36517 24795.80533 34391.30833 40003.33302 22373.99713 24834.45014 18359.24134 40837.88379 23824.43234 9679.775248 31711.10137 35633.71827 35629.45354 13100.60192 20182.21778 13816.5013 26729.83978 14820.52366 62496.23254 7841.068271 67752.54876 16256.74259 23758.30143 32527.27711 21524.37033 15526.52151 23550.30959 22422.85769 90071.01352 25747.99946 26707.11221 40180.42197 38426.00189 59436.03422 14106.23954 13459.79977 35653.84732 18172.3733 48846.98516 88897.54326 19238.24433 25721.11001 8510.999151 13535.51206 20425.70544 36115.65654 12104.10482 14397.92875 25782.8698 30452.77665 11245.00932 105058.6394 8446.484033 17586.40402 10089.36333 29408.22106 31402.24374 9869.621435 27600.02416 18226.16225 88466.3068 18612.59812 28524.3561 10028.04767 29203.58712 13705.59436 33801.92451 155713.8304 55733.28401 43495.2612 13272.80729 13674.0572 46518.53022 12707.43728 Sebacic acid 24962.20074 7196.508199 6977.526996 17289.05989 7492.138984 9708.856249 50941.88456 46282.21086 49815.61265 41625.09239 42518.40965 36814.50434 46539.23704 38085.94211 31715.88074 39288.09069 30954.51265 37552.51115 38465.82541 41609.60286 35465.5556 36169.30593 42698.05231 38547.30336 38389.6513 47620.12427 49942.46927 40198.69401 49965.85552 35271.5285 31695.3098 42601.19525 35215.57514 48891.16441 40271.54876 45535.63397 29878.15847 52713.4965 26656.74822 37877.74685 31288.00549 24014.05708 40455.38424 47997.32413 69035.18932 22606.48497 31134.29569 37242.23932 36809.52259 25296.18287 36296.89729 34664.78433 33520.16838 23272.62669 31857.53364 27782.33855 31928.403 21321.37749 34946.26403 25056.70159 27840.48357 34720.47785 31565.60352 32920.03894 40938.51958 20751.57789 31342.65107 33314.90527 28764.22005 29380.06529 19524.74281 34054.73972 33166.7321 36555.83534 25715.24624 27699.31028 38877.75669 40785.78643 31095.65247 32277.86799 27459.29377 35909.52568 30501.43564 33430.23108 21654.13904 31548.84451 28960.97345 31361.88182 25284.72857 39982.72352 26874.46662 34870.8165 30785.25809 19835.37368 15707.49246 36145.33521 31595.79427 38653.5607 36635.39114 33026.78741 36437.84667 36702.83108 25836.77291 30708.3604 35408.92191 27173.0561 26290.546 21273.77012 26749.44178 39332.28695 24854.01987 39213.26754 26091.21757 38582.28094 29895.66618 26830.77958 21765.4367 28799.16143 23749.02882 19569.79769 24881.53106 29202.36852 35360.77578 30559.519 42487.30889 34119.30175 51170.45052 30713.3956 39467.94434 31961.28729 32948.00607 36892.15446 34744.97507 37571.59272 33700.8706 38682.14322 26631.89175 38342.89664 18083.6307 24689.3834 34990.90508 36740.46206 53571.09396 30706.13631 51280.64628 21873.34342 27341.29415 28428.75876 36570.13675 33844.27755 25621.36198 31890.2406 30803.40035 46765.76619 31926.92391 34864.83264 24748.10203 34807.28686 45031.75022 41455.57506 43163.35516 29769.76167 30461.69977 20556.28396 25953.39287 34810.03652 28238.10361 42124.52466 47881.05451 34630.06655 42024.53434 45422.73773 30444.4985 40924.50169 38083.09022 26069.69474 33164.9433 34328.77468 45787.22706 52629.82829 27108.29184 29605.74828 44814.23057 36894.98131 3430.308548 4400.656722 15738.3332 10-Hydroxydecanoic acid 41190.38339 27243.91307 48264.66072 48358.15976 26293.46928 28038.49515 39145.0596 42075.90619 36118.28916 32600.4801 37419.46141 43630.68895 36045.99756 33277.9728 39787.87614 36311.39788 31206.59285 44028.21756 36427.9982 34265.73116 29604.41519 44645.22697 34069.80029 34750.87848 31843.53238 34288.94513 23594.80935 39479.24685 29168.34416 36220.26172 41468.85684 30867.89763 47431.76904 25289.11949 31714.96826 20922.64573 37823.17724 28569.97008 38859.72133 29768.92455 30935.12146 36854.85591 22484.54554 48949.93551 36821.20544 51748.94971 25491.25574 31194.40573 38215.99626 31434.03654 33006.05492 18910.41167 30112.78871 21603.68019 17060.20845 28845.76286 22439.04335 26451.94968 20145.80764 26182.924 24415.35654 19465.02266 32364.57066 25046.26527 29419.70137 24867.80425 16029.53673 22277.86053 24654.63778 25963.75011 28841.34221 21639.58032 23498.1791 25743.30945 33366.28681 25612.17221 27750.66652 26408.63029 30981.61406 16396.6796 25583.62634 34916.82581 36282.94447 30428.37652 16232.55462 18680.03566 33535.96515 20187.17925 34233.19187 19012.96784 22747.05671 17215.52491 21903.63092 24968.5431 16693.75481 24074.11717 43007.36976 15685.27929 23528.80974 25629.12865 19879.41627 29182.77123 29744.94627 19137.29641 24590.95745 19664.23162 23909.32307 19667.82447 21035.84472 22139.64314 25234.9242 26120.71541 24603.8996 30118.31183 18248.97466 23880.55898 14821.81499 15624.30887 16490.72184 25720.55228 36171.18927 25866.47603 16591.44696 23964.39082 29514.62275 32677.79581 27805.42056 49094.9115 27898.39138 25465.95927 28832.86272 26422.21632 18958.18922 37892.54131 15697.65033 37109.8254 32747.84629 23893.32959 24829.91069 33293.98595 24761.23176 27929.20385 26505.0583 33117.27596 33402.71908 28139.978 19553.14379 18250.25161 14063.9202 36703.46902 32206.12371 33737.76198 18299.78605 20240.27669 18880.46591 16709.11738 27385.4948 40089.57771 23928.89715 26267.65211 44491.5063 55864.22734 33213.21293 18600.1389 23554.50384 16471.64643 26702.38045 22525.0783 34600.68266 35277.39499 25458.78266 29637.30533 34130.0452 26339.9333 24460.73837 21855.28515 17768.2354 32369.46343 29245.26222 31267.34576 27890.59948 30649.37377 24559.548 26882.29558 16151.24201 21800.81148 16750.13294 Mono-n-butylphthalate (BzBP, DnBP) NA NA NA NA NA NA 20479.72137 19299.33931 20165.77372 18363.66806 16867.66097 18916.69464 13663.35006 13724.49168 15003.77101 12656.68288 11862.96686 16795.49504 12450.73453 12001.99784 9157.521326 10082.33395 8053.786015 8621.763794 9072.294259 12869.09634 3515.298239 10347.25424 NA 6283.584696 2102.859788 68772.75078 14753.47064 25477.09621 26965.24094 7520.367674 4447.257935 NA NA NA 22906.77946 5111.454516 NA 10297.24219 29992.01137 7328.28905 NA 3997.629455 6814.083096 NA 2502.600304 NA 9791.285352 NA NA 15950.87822 NA 7544.309715 3683.267848 5997.2746 7976.747916 1674.887265 3514.296395 11510.81011 NA NA NA 5717.109993 22312.71388 6329.484306 2117.583496 2228.393814 18328.65141 NA NA NA 60446.08923 15846.76414 15777.33725 82452.06057 12497.23281 24479.13292 5036.193448 NA 3449.947955 7079.292413 8371.645899 26543.22484 NA NA NA 34824.8932 46507.0073 15609.00898 3940.228956 NA 1296.029293 10565.32396 NA NA 2814.390492 12111.1617 2456.13795 NA 5154.762445 NA NA NA NA 2584.731655 6450.841325 12996.73672 NA 2839.2101 10013.17786 5853.433698 18228.41876 7084.375466 1370.810651 5328.414986 18792.7997 27011.37501 31895.35695 26049.81763 31908.44634 9497.239578 12589.83265 NA NA 2355.111829 8242.980597 5857.29514 5116.261678 5137.861659 NA 3700.582911 32089.57813 9333.478619 4482.713524 2507.936133 NA 13367.91399 1824.736168 NA 4625.120608 4851.785917 17372.08962 3264.23145 NA 10882.01117 2534.213764 12430.71244 32898.62509 12888.18935 19081.03999 2967.525267 4536.524608 4963.861339 9239.678587 NA NA 6324.826884 16539.04871 NA 12320.55045 NA NA NA 6060.843078 6087.27807 NA 26542.26083 4588.726409 21520.58469 NA 1289.842347 NA 8975.60659 NA NA NA NA 1163.442929 NA NA 5805.880262 NA 4-Aminobenzoic acid / Anthranilic acid / Methylpicolinate NA NA NA NA NA NA 16821.87322 16689.81062 14719.34511 15085.85947 13152.6398 12564.48489 9886.788885 11156.61301 11834.63966 11244.76229 11588.24214 9178.499909 11856.94216 10899.71481 10153.3034 10919.23156 11742.61038 10741.49048 10321.9964 4316.678134 16893.55551 26197.79041 13879.51138 2681.382073 28628.67771 5430.144447 36821.10177 8866.845081 3365.704092 13060.50689 23046.36469 17354.82836 33104.82673 6040.572881 3631.979173 24280.05816 10548.14369 5903.009963 4367.72494 10393.51798 12647.5852 4423.784494 28464.75592 16412.86371 4965.881538 6103.670782 3349.511767 18274.66249 13159.53587 3901.604477 5188.698035 17910.25596 14524.07801 20686.19217 4138.125628 11152.30836 13737.08519 4728.282416 2833.186411 17162.43732 20360.83415 4978.959766 NA 14124.48768 7451.92121 7421.762561 2036.532853 10197.38121 20835.58572 2822.805483 4186.687323 12214.37091 15979.98732 6645.503201 10411.00505 7693.7241 20007.75803 17761.97113 5774.456325 7170.111967 11597.56697 3939.828517 15636.04911 10595.21696 3270.835588 16671.72553 4937.893898 15617.36685 2990.88214 12299.03634 18691.13765 4990.418165 4749.592002 7866.047783 7080.169998 2198.357596 8795.308382 10570.64234 2363.078549 14479.33645 2336.853677 12838.49097 8607.317136 6460.220952 11117.00302 2284.173733 13854.688 8482.089163 2431.702985 7458.717175 4337.529876 7153.03813 9581.533155 29190.68522 3247.544984 24189.38073 23631.06757 4030.999146 3693.543282 10891.22706 4484.494575 14478.39784 8489.697075 7604.861699 16316.91148 3341.221298 14609.67297 NA 6157.677462 15491.40324 2170.406776 7265.579644 16180.45638 30963.29765 10970.28037 5309.51644 2044.66966 15623.16943 3427.238286 41792.64878 5846.498026 28027.39843 15189.88465 4122.956867 18605.8669 11729.73492 4206.195822 5231.441079 6847.727579 19109.80843 19866.34139 10864.83062 2745.47719 9637.811869 10370.58594 4628.528344 2743.577296 27248.6912 1832.786452 10042.14639 18402.89966 9544.822914 4477.02015 11765.19052 5574.89206 2859.515065 21092.67154 5652.54026 8579.832994 32801.02346 28911.15233 5351.158581 9031.564963 2053.134956 16528.37799 20910.64672 1640.186933 6062.114257 11258.17486 3228.929756 9032.125257 Lumichrome NA NA NA NA NA NA 7132.633799 6657.72199 6441.570138 6313.121802 6195.871052 7304.049314 6390.631291 6174.173593 5949.248676 5318.954057 7155.796397 4547.47025 6744.063602 6898.560683 5235.245418 4737.215316 5199.849421 6813.103172 8489.492035 1819.033464 9485.864494 29442.1956 6398.855831 3029.929663 18564.77838 3097.89583 15178.56917 6550.127438 NA 5324.505342 17047.18017 7109.070599 17597.87724 1545.469967 NA 13308.30437 5497.724533 5100.87646 1733.041571 13852.57884 5513.051827 2859.148405 15464.24581 8553.4302 NA 5827.197434 NA 7644.214947 5493.235667 1866.619811 4296.844136 10507.09404 5987.233287 15491.8189 NA 5074.38326 13293.48389 NA NA 8518.403968 5471.010687 4717.530897 1577.296444 13582.66705 7845.925554 5169.642893 NA 3217.978273 7373.924069 NA 1873.467271 5377.922449 15434.29294 NA 8988.061218 5933.494866 15407.52597 6337.026734 NA 6129.164803 12694.28005 2136.544797 19245.55652 5977.497594 1989.800433 5336.00057 2734.51124 10629.3961 1804.682959 8539.209006 14914.8997 NA 3815.343052 9750.15497 6318.805659 NA 15655.71361 5614.430081 NA 10502.53241 1449.051894 7814.488324 5557.615544 6150.665561 16210.61532 NA 15405.66409 4120.408323 1634.683268 8423.331976 1369.98752 2956.999771 6776.949299 20409.1766 1835.395589 20407.91706 5580.666286 NA 2590.492946 12651.22605 4534.00766 14197.11931 4663.926581 2056.031398 8506.240306 NA 4271.304331 1419.66448 4481.465249 17031.25113 1780.140392 4603.145621 10831.84023 16482.40796 7083.354833 1827.881541 4762.067311 22119.22916 2339.510154 10861.01316 2944.084423 3899.240115 6257.621348 3587.714053 15111.15311 19783.24808 2725.517929 7288.038868 2121.005857 3844.240607 10438.71618 14684.65201 3275.586668 5790.094376 4701.066002 10465.46237 1856.405069 8285.952666 1410.288966 3075.634165 20399.80106 5437.955069 2018.510168 12305.7811 3697.905866 2552.817723 9847.094699 2410.383631 4448.714766 13101.1067 4876.552595 2370.898962 4788.042216 2565.399985 8884.203147 19756.56568 3444.283635 4704.124112 9124.167814 2757.406089 5877.595737 Melatonin NA NA NA NA NA NA 44079.33023 43070.19306 40634.42103 36908.68816 36137.17641 44697.29325 41789.68537 38798.08523 45114.27388 43487.53774 42300.34931 34097.15576 37144.10846 41530.72558 34210.10887 37082.63582 38661.29579 41310.76858 39822.61453 13925.54592 31428.16949 188848.5586 12281.6307 NA 125131.1085 7108.58901 245602.8141 16889.79585 NA 10121.12514 105817.0421 36453.92818 176991.2103 NA NA 130251.4945 16414.802 8770.720514 NA 86492.23916 15487.1113 19940.79206 236913.0981 151252.6723 NA 24990.28339 NA 237941.3188 81362.12517 8996.76569 24840.40256 62355.98412 56265.32908 133760.3844 NA 42542.34634 153846.3531 NA NA 281103.8567 77647.10856 30513.7452 NA 157535.8272 74952.17234 17172.17451 NA 5932.815874 72856.78262 NA NA 12400.19381 68411.09032 NA 52219.70096 13684.51324 110317.687 40908.75234 NA 13581.62621 44346.73561 NA 130697.8229 32194.45682 NA 41856.82603 NA 149308.8416 NA 55154.55727 115152.3887 NA 26088.62638 53596.71603 51414.24595 NA 118841.3407 41021.25599 9103.80146 138782.9129 NA 237261.1824 29952.21894 37893.96728 101500.3338 9291.544868 104853.3517 14101.85096 NA 65536.69977 NA 25662.02756 33584.29099 151891.9278 5892.290205 169760.7174 46589.83322 6365.049834 3196.852342 109661.5583 12171.53026 95924.92046 14228.25926 6398.795134 145000.1831 NA 49820.04238 18783.46851 43690.75414 174625.4447 4241.932493 9537.851561 43842.09106 267604.4502 32929.66384 14135.19708 2925.509267 125455.8879 14525.40762 389457.8614 8534.040286 87246.26632 35490.28804 NA 139961.8983 97294.84463 6608.775921 16352.5686 NA 42013.34185 179062.1067 80479.30659 10988.64749 22165.61165 10936.10701 38101.18481 NA 259347.5922 NA 25273.43276 160959.1095 18771.50341 NA 85530.18708 16563.13803 NA 137256.2764 12830.1999 10759.42349 289385.1023 62917.65234 NA 14504.47571 9516.534198 158181.9638 205199.7832 11289.98937 10711.61234 44513.14485 NA 11117.63206 Cortisol NA NA NA NA NA NA 20321.86832 22631.69064 19992.2037 17110.01189 17074.92971 18324.75072 14364.03412 13230.65962 16503.83578 13769.68981 15860.77116 17678.03669 15143.89859 17040.65419 16165.47036 17519.89441 16403.07643 17105.09774 17321.8072 43603.63248 9518.748088 16995.54069 9029.450631 64366.66442 18918.56669 56674.27993 16405.43594 20481.58741 35973.76935 8241.253244 11416.84943 4453.319507 10962.39562 28878.36985 43189.18213 12346.58827 14501.00159 21916.06362 44208.52403 14293.03566 15224.79719 59912.8611 18547.48195 14688.73604 52044.09964 15918.25638 86529.81219 17482.30688 22456.13537 42295.35287 12518.67339 10347.51929 18940.3916 16381.07053 43349.65047 11761.32033 13504.05687 31827.97844 50016.48546 11243.33917 15343.97747 12848.4013 35664.52034 14079.64503 12149.00691 18285.46721 37194.13964 17221.23007 9661.522419 50676.03693 65373.95271 21717.01681 22743.64687 42405.93985 20188.9264 14981.19015 19647.87473 19009.06075 45166.32186 6464.613385 12044.04877 42213.01144 13600.86893 8383.261823 33242.4906 3947.966614 17722.81643 9255.742496 43690.89462 14196.26827 13810.14829 31666.75686 14365.9683 12912.86402 20583.38803 50169.31937 14738.7956 7942.895595 30651.79415 10693.79842 115548.101 22257.23157 31094.61314 10952.28391 13605.05905 31189.50661 14617.78854 17829.79968 40073.30473 8471.435279 32466.03206 5446.264129 12342.05729 12795.29712 48863.61913 16829.5492 NA 28332.63924 36372.8855 14617.62283 14511.33665 18301.29183 19574.86613 69968.28131 18604.64971 43917.33954 16210.9604 64240.57844 18936.40954 13788.03901 31990.6569 7612.003027 5888.543692 10487.53234 9446.466086 41761.99569 29977.36428 18829.25802 67542.44346 15089.65906 47133.88129 16343.30144 13790.44264 57498.07878 16227.69932 15556.59065 38581.756 17803.42459 76214.54535 17978.69998 19219.19298 15776.71513 60629.62786 14918.16908 12002.41201 10545.30921 28429.61653 6442.961864 38623.79842 10834.97511 13078.30195 16353.5237 41002.04822 15772.71662 16535.44522 46313.36991 20625.18676 42362.0281 16163.43814 10255.78338 14500.45902 47040.17442 20292.94354 46987.2851 11107.52048 11434.95149 21595.42338 11405.39934 10196.22439 35072.70715 12250.36027 Caffeine NA NA NA NA NA NA 204477.0809 213751.8277 202797.0923 197756.8083 194959.0936 202233.5235 195363.3814 188835.4442 189011.5954 183742.647 189813.9206 175823.6414 178292.107 164863.4093 169231.9686 193460.5068 172500.394 161211.8537 158089.872 7115.442648 3939.094816 13515.33338 577491.9536 1482963.687 647769.4525 144978.3295 56033.30605 82876.76663 54918.75644 23683.07481 28434.55438 35054.02563 41191.37119 86883.85679 114670.7333 50865.52191 60328.6033 299774.3021 510232.5435 195375.9778 NA 61239.37156 31619.54014 NA 4314.455923 NA 21838.49033 8515.064258 4825.878964 68093.40506 30824.78212 33231.69226 NA 9417.777211 9521.081172 NA NA 7415.394497 1362506.939 354646.4258 414525.0081 4461.773574 18151.73545 12962.33249 8476.272658 8503.423036 31965.36678 36665.21327 33826.71922 82441.426 3033842.623 1290628.282 1232175.109 148692.4765 58750.86275 58517.28462 14395.54584 7402.859555 9803.631478 74638.15609 53951.50135 191247.2502 19896.75445 15843.73334 28634.21062 123695.2813 275354.9567 96954.46973 349900.786 184448.2525 130378.828 53406.55046 21484.56773 11417.77872 245901.5967 506723.2012 183763.8786 98112.02122 197560.2981 76455.47281 341568.9739 107702.3747 130631.8341 NA NA NA NA NA 4318.636868 83575.26817 781539.7921 213975.2937 139270.4183 143941.7324 216969.8765 6193.792238 NA 7570.599492 78350.36469 30199.00884 30841.36661 17663.59911 NA NA 83413.61198 193262.7604 91133.83554 NA NA 12489.82249 6036.233893 NA 6935.489962 21438.5373 18822.41707 256690.4237 13412.42863 26368.09295 18966.9622 37596.05889 1490138.305 39696.72 523926.4648 1151772.453 468398.2375 25386.85204 69139.78524 36214.04527 44222.53039 28744.62675 27877.07621 458271.3672 1417605.903 540113.1731 23655.05069 20360.07653 46877.486 5726.422031 NA NA 224509.5706 355662.8836 649212.1108 NA NA NA 47481.1621 118125.9069 59124.13756 90553.94169 106406.8597 291105.4463 390371.4171 1036644.919 355908.6207 11748.31564 18416.85188 6045.294259 119110.4965 403736.8348 157500.9708 N-Acety-L-Leucine NA NA NA NA NA NA 25354.0045 24722.90707 24599.82244 25679.01906 20677.00375 20450.16253 21477.2704 21253.87028 19107.71844 23279.39745 21409.09289 26005.11207 23424.39191 21845.75664 18207.10785 19353.61166 16919.83765 20035.36215 18806.21318 13312.05553 5074.416673 8713.281768 58016.07988 145756.6922 66848.73388 29610.33853 17582.94739 12581.09352 17351.24055 8499.792424 13525.86042 10016.19504 14513.659 33290.42708 23388.9031 16396.56892 12276.2558 32404.17535 74875.01257 36755.92989 7011.704833 22849.44768 15273.54403 7951.846667 10517.66226 4352.998305 12174.23796 8751.942064 5073.993926 16489.19207 6238.654116 11277.06469 7818.140086 9319.169744 19962.22871 4685.347937 7630.076804 17593.07416 139494.9642 38266.81164 44998.32261 4298.96636 17077.46431 11429.84379 10007.04478 6694.458773 17864.35916 9891.380319 9762.229193 23185.39811 272398.5969 126381.2345 120520.5052 40788.8577 21255.23407 13118.22043 7729.801818 5015.044846 16598.7919 8808.407323 14386.54592 37858.95297 12831.36389 4712.711569 10821.60647 15777.60447 36140.26533 20299.54588 43274.18747 19110.12625 19849.6949 15598.35482 4831.957755 8412.807621 24254.36591 52868.38264 23857.44164 10541.59585 32924.86382 14857.09433 36002.70264 11780.7114 13524.01629 2527.204393 6764.702179 13893.14449 13059.89865 7199.133993 17553.898 12889.10237 89149.53257 20409.04984 16672.19913 19879.74195 34144.41783 14126.84935 5205.781198 14325.18674 26134.22333 15077.61024 14971.12622 6958.555725 5612.627477 10738.15788 13562.87168 25960.43213 12393.77983 9926.711891 3127.522978 7489.540943 14223.6139 5813.602598 9749.33241 10483.54773 6428.677924 43255.97018 7377.507062 10538.35733 15474.12654 10735.47781 149087.0301 8131.530659 52510.40204 117517.6699 48797.75693 9706.720671 16858.095 8097.470704 14879.72371 6274.401857 9498.925186 47397.01606 140327.5404 52601.25275 5063.99854 9712.940112 16812.30909 6217.86934 16431.5789 3821.315508 30936.90854 37245.8673 67705.13042 10378.83695 3264.049431 12091.66374 10110.80768 24064.889 9514.002806 14437.42655 15241.47097 45823.53163 38791.38713 106704.4012 40639.89154 13586.29051 14755.33198 4558.90225 20638.07615 43423.3357 20916.3931 N-Acetylphenylalanine NA NA NA NA NA NA NA NA 1415.529432 NA NA 1636.442632 NA NA 731.7524058 NA NA NA NA NA NA NA NA NA NA NA NA 5599.025859 2207.681889 NA NA NA NA NA NA NA NA 1603.717677 NA NA 4712.322456 NA NA NA NA NA NA NA 6202.601724 NA 4398.58811 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2509.43616 NA NA NA NA NA NA NA NA NA 3293.061784 NA NA NA NA NA NA NA NA NA NA NA 3941.81995 NA NA 2381.590061 NA NA 1412.346953 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5573.941023 1010.227081 NA 2875.20831 2045.674925 4183.887934 NA 4231.721564 NA NA 4295.219384 1303.222189 NA 2280.155226 NA NA 1002.710195 NA NA 2565.460816 4024.46323 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5037.40104 2155.923114 NA NA NA NA 3358.377705 NA NA NA 2011.786459 NA NA NA NA NA 1013.95055 7694.037891 3717.060484 NA NA NA 2381.135177 NA NA 4-Hydroxybenzophenone NA NA NA NA NA NA 67.01908163 133.7685386 177.8152638 NA NA NA NA 134.3269095 304.5027955 233.7240753 235.3344064 192.7562079 193.2315431 NA 283.6718119 NA 93.28171282 138.5127113 170.9653969 11316.68492 3111.197367 5847.70945 5952.835172 14839.38443 5284.803735 3888.569447 1225.808781 1437.915475 5015.403249 1965.621171 1988.102543 2094.988825 2948.404113 10282.38088 10426.33741 2110.259426 3435.589446 5834.502458 16331.73955 3042.926525 8019.454428 26074.77059 8627.143502 1232.638545 6796.324454 2780.653381 8483.979213 961.3176393 1927.661459 6404.759747 2277.254308 3305.213233 2429.686866 2746.65709 3318.918901 2242.658067 2800.13961 6451.149224 14978.74283 3720.949974 3642.08767 633.8909338 2580.763004 376.1820035 386.8116756 766.3581656 3005.874363 6789.925841 4480.722672 15560.98013 36133.23208 10661.18884 11296.57095 28600.61724 4831.993547 10063.33818 2070.288749 1648.449688 3911.840857 4234.883802 4556.332052 21594.82579 2871.268614 3316.025625 7981.139384 1295.546521 2085.139676 889.9323004 8610.552868 6869.21112 5166.540976 2660.520537 322.5780434 216.3047455 1511.809942 5677.821976 787.4221695 739.321148 835.0174203 874.8497735 7692.981222 453.9778424 970.3081372 849.9646139 734.491127 3220.166877 1271.278714 3012.36129 6149.051518 1086.08108 6458.663364 1311.169066 914.483587 2180.052138 6304.790945 12056.33739 10353.43235 9602.052566 5227.166202 2343.932695 2397.893397 1655.715348 3431.278988 2668.728119 3031.782788 3661.834577 2414.236666 1431.837625 230.6682007 1211.533663 10793.61821 2614.215956 2299.710156 4738.997369 4250.529015 7081.216611 6370.613765 3128.115893 11416.80381 6836.403032 27037.81998 4331.255193 8300.892773 32628.36995 8684.128044 2423.730045 5738.778386 2145.662936 8700.766045 3761.482975 2064.76308 4709.529609 12554.66816 4845.126827 551.5523977 795.6981607 2121.499908 2663.781148 10215.90914 4481.135354 1193.599317 3637.213983 7570.448625 3166.336923 2047.025665 11106.59622 5179.529454 15509.37204 4528.170806 2391.244073 2650.503901 7719.707981 2587.833207 9146.32304 2430.954136 3086.030451 6019.408811 1853.921042 5531.636819 12708.92534 6183.636734 Indole-3-Acetic acid NA NA 1567.585186 NA NA NA 3060.203855 2581.020749 3195.364618 NA 2527.410192 1872.831459 2616.641547 2482.110076 1790.020584 2739.352169 3183.519234 1998.164225 1410.916951 1940.412084 2634.834992 NA 2107.516318 NA NA 52347.46418 NA NA NA 2899.121559 NA 3616.164273 5318.691637 NA 43946.89578 12646.84594 4459.123319 2004.082395 NA 6988.608176 4837.726647 16329.85944 2140.142665 6768.167464 11141.15185 4120.260449 NA 9669.925674 3227.543564 NA 1303.439263 NA 23409.75513 NA NA 2335.20485 NA NA NA NA 4980.003251 NA NA 1242.372556 2964.531003 NA NA NA NA NA NA NA NA NA NA 4007.612528 5931.57521 NA NA 5135.155016 3134.062278 NA NA NA NA 2927.343254 1930.934756 7829.112114 NA NA NA NA 4383.726346 NA 2120.498558 1959.771936 NA NA NA NA 1622.24626 3461.975031 NA 1366.976111 NA NA 8273.397744 114713.3133 NA NA NA 2178.774303 NA NA NA NA 3777.927609 NA 2585.290437 2890.362654 9803.808617 3641.646603 2252.586664 4118.487694 3311.242486 NA 2787.200368 NA 18853.29123 28951.06834 NA 2314.07915 NA 1992.311022 NA NA 5414.197734 NA NA NA NA 3324.344208 NA NA 5650.056415 NA 5081.491851 NA NA 3112.757041 NA NA 8900.829067 NA NA NA NA NA 2859.537103 NA NA NA 2448.634427 NA 3226.262357 1826.013504 NA NA 2381.105629 NA NA 3025.812458 NA 9463.08457 3080.307881 NA 2144.737727 8518.927867 NA 2654.749171 NA NA 1708.958888 NA NA 5603.487991 NA 2-hydroxychrysene NA NA NA NA NA NA 48220.28706 44233.46144 46235.12453 44955.45867 39625.29784 37665.83946 36424.92885 46089.99167 39481.65535 33944.45261 38463.34795 45071.13739 36270.98498 36976.6087 34471.12484 35677.93608 37976.25036 44432.06128 37796.6412 6034.493688 20096.10515 157920.5735 21212.35404 8892.864817 224872.3067 9803.866801 133714.2011 19787.16632 8679.337764 16963.70827 167912.3745 17920.22487 187949.7444 6427.089304 6004.116301 160651.8111 18278.24758 19051.23797 8426.125201 137481.8875 15437.79707 12412.89481 149713.6395 20767.59535 3996.737963 8534.519658 4075.042395 32390.98974 9617.308429 4625.050772 7726.829322 123926.1748 16759.87621 177221.0719 NA 18839.05429 125651.4591 7112.558362 NA 93460.28301 16011.39777 15270.41421 3842.499806 132644.5338 39836.94411 11093.2488 4024.736231 17702.18328 155934.1562 8969.993686 13468.86851 18605.32964 159597.0576 9509.579509 118567.9741 23624.04832 158862.833 22944.38971 6830.910845 20479.88066 165510.5689 11064.19002 107683.7065 18893.33966 6485.772839 21659.33995 3357.39589 56095.97035 5125.768738 26370.19496 143212.2358 3563.909306 13905.08096 45433.17942 18639.34777 4699.925753 72299.52744 8649.30734 3318.345165 53867.93695 4900.442595 62985.70008 7183.6895 8955.397139 63590.32829 4998.240467 98023.34633 12704.46949 5028.845284 35388.80563 3078.553293 6080.766469 10274.40109 141577.7047 7043.558404 250709.6706 23760.49381 NA 6154.596821 130773.9 24942.43769 193544.9063 13469.12366 4258.401128 137433.5091 3790.650101 13928.34209 4714.542049 7069.082922 184256.2374 6975.591822 17052.89496 120488.4082 153948.2515 12906.13751 4158.01814 11407.3677 249642.856 13512.36596 118673.7175 14417.96982 15219.27855 17823.75682 11071.16701 108902.0629 104849.2494 3282.605707 21912.56665 5343.641796 15854.08723 108153.0915 127829.9821 7897.384256 17986.00906 21049.77075 121301.8043 6193.392585 77442.30701 6077.257149 11506.25778 162815.1222 22838.52624 6054.430158 107656.2024 15359.10711 4206.873535 124731.3247 NA 20097.03196 111097.5304 15716.48741 6013.931888 21973.0638 5542.955412 120370.7035 35096.17648 6001.661507 18449.9614 26076.98889 NA 23840.27887 3-Phenoxybenzoic acid 4723.033878 4421.767207 8291.628347 3929.785524 3181.58949 6027.068071 3026.594983 4167.137093 4009.061123 4271.919529 3020.909374 3267.133845 3937.613482 3081.255638 3431.550802 3166.411284 3611.23327 3995.2603 3029.649068 3333.58734 2538.700345 3010.048536 3701.702064 2583.308332 3202.077348 6887.812017 4001.056536 4259.969748 3685.53051 6706.060165 4862.226284 5421.230765 4658.886363 3598.718828 4916.956029 4081.558337 3781.601379 2791.6538 3771.274518 3746.655728 5371.972688 3844.73669 2905.099612 2656.618856 4691.925313 3469.944649 2474.828441 5442.131543 5408.25248 4093.081953 6352.517816 3503.519981 5286.308004 3326.08116 2882.633517 5138.837979 2960.476555 4064.180507 2772.708297 3224.125858 4272.332876 3675.612337 2894.080623 5091.802217 4412.755406 4396.953538 2959.29724 3681.119967 5463.341234 4433.597649 4081.561159 3815.938809 6088.957632 2998.9861 3767.004384 5330.923246 4185.332537 2758.696316 2523.799928 5575.029852 2750.317912 3819.96512 3000.573209 2311.191241 5046.755034 2908.649399 3592.896021 5485.431276 2871.760539 2896.483045 5605.416221 2835.298206 4866.431456 3437.396564 4454.748913 3378.449547 4496.274238 4534.019015 4077.438705 4404.902274 3780.11477 4757.166487 4811.700751 2964.821402 5270.513464 2736.736879 4438.470843 5162.00934 2498.597735 3132.841882 4573.506934 4689.867119 3873.081302 2759.373119 4107.616129 3401.491754 5125.062757 3516.242729 2421.161477 2003.855374 3476.066845 2377.472642 3029.886892 4233.41387 4888.894672 5199.862425 2645.046692 2623.167655 2988.359902 4030.66404 3019.056855 4542.530297 1949.444735 3912.714442 3439.326505 3572.839941 4930.401792 2372.208476 2517.157508 3148.376381 3118.220428 3688.567433 3148.911578 2513.963788 3534.578968 2120.182236 4539.993718 2297.811229 1452.105831 4751.991512 4500.687972 4441.781561 3637.290527 3089.100418 3111.805941 2818.547569 1913.796126 4227.395547 5157.488808 1724.342322 2945.532507 4093.302381 6067.324408 3448.655843 4097.901088 2717.423572 3287.395258 2131.680266 4881.47161 3353.20258 2876.392515 3016.711689 3332.446288 4597.493907 2565.309141 3371.492573 2647.929177 3748.596773 2576.680412 5207.490372 3710.251689 3856.430974 3871.467524 2299.174706 2970.529635 4399.100188 2572.097289 2-Quinolinecarboxylic acid NA NA NA NA NA NA 19085.12849 19144.83775 15269.1164 18127.30099 17900.07627 14245.94238 17169.98937 16746.50707 15689.06995 15061.90148 18002.58302 17017.25019 16621.06553 14989.33004 14225.18366 14734.07077 12490.99142 14520.29648 16062.64865 2397.245487 12617.28633 46430.93734 30390.81813 NA 40457.34865 4967.140269 24032.78506 10288.25334 NA 13705.40182 28360.31743 25575.94006 38515.55837 6448.03321 2520.382607 38124.04976 18481.79164 24658.47375 1512.584269 118459.3163 26959.52048 NA 37505.93351 36346.53995 NA 38449.40885 NA 22070.53014 16655.57018 NA 45558.9425 36642.24355 30752.14925 32067.61168 NA 14964.4508 25823.00041 NA 1267.868534 39686.34914 10723.02762 21416.10646 NA 27381.21918 91575.28375 43397.79025 NA 57962.70207 37461.42269 1311.276568 NA 18838.7526 29821.69069 NA 27257.24157 27240.88219 50525.62307 18881.73779 NA 26131.68193 54349.86122 NA 49543.67197 17483.1997 NA 19764.59492 NA 63884.87583 NA 20429.72942 34367.20169 NA 25352.57084 18414.30654 12184.98752 NA 23585.46846 22462.71302 NA 41764.11468 2045.841638 22891.5922 38718.8232 9065.485611 24415.55675 NA 67211.20399 46729.4026 NA 21534.92208 2573.972363 20638.50158 17657.61982 31781.10211 NA 34130.87354 7681.219345 NA NA 31675.65848 39996.74757 31612.62585 20660.97117 NA 17940.08406 NA 7118.128957 NA 12436.01526 29006.76525 NA 16458.19473 29073.71937 22319.50549 12303.99998 4053.542115 32791.87863 27862.02766 1770.439948 22106.31363 NA 5991.627715 5923.169886 3131.546311 17464.66452 12987.02644 NA 8479.589076 NA 14037.66255 42236.09215 28796.78049 NA 18914.1045 15735.60601 26506.73489 NA 21150.65529 NA 13200.64842 43748.33119 14351.78186 NA 23042.33787 16651.41039 1644.610408 18571.93761 NA 17650.98245 11496.861 5619.444725 NA 16336.63676 NA 19405.19336 33665.80679 1467.989802 19304.6327 185462.5927 NA 66997.50997 N-Acetylmethionine NA NA NA NA NA NA 24166.54625 24769.70513 20858.10498 21705.43609 21503.84775 19292.48679 18769.3542 19798.8762 18204.21549 20521.03511 21840.64725 21214.59764 18608.07964 21198.74182 15972.74366 18493.74855 15614.15101 17879.71099 17702.22804 7107.653212 17140.74382 56233.37103 32604.17847 6784.033724 46141.40448 14762.54327 30737.28834 15415.32264 10316.97819 17365.93841 35229.6302 32070.64516 46454.99009 17338.05852 4737.344941 45183.66914 21163.4318 28692.81843 9442.21219 122529.652 29076.62593 7316.845372 39693.81592 37239.10418 NA 38948.42835 2719.1111 22684.79118 16693.89009 4327.918685 45955.66012 39604.62131 39610.91115 44730.87293 11628.71194 15704.08263 27015.8055 2323.229035 2912.66457 43069.36344 11924.62575 22826.80551 3855.125542 29742.26611 87872.17603 39555.67842 3133.261655 59215.04279 40116.89206 4474.631922 5435.973329 21220.31061 34892.43759 4955.854834 31514.42513 32161.10257 55332.22148 22395.4424 3208.033197 29443.17595 59033.15955 6475.914384 54317.62535 21921.51779 NA 23290.65767 NA 66269.15536 NA 23329.5359 36949.30389 2349.324286 26594.30908 19249.71243 13121.19408 2126.450588 24364.82112 23516.87243 NA 42738.61108 NA 22793.05753 39226.81899 8023.67727 25597.43064 NA 68851.88855 48136.06621 NA 21046.27752 NA 21574.35088 18558.49457 34358.79068 NA 38631.59556 10701.99091 NA 2371.803509 35241.72522 42881.88691 35518.21056 25525.97075 1668.528279 18971.78906 NA 8106.849698 2286.566189 12879.62652 30926.22462 3565.893565 19075.40618 31776.59749 28817.79561 18500.53099 7443.591652 34226.28346 30642.0678 4039.249901 25360.47719 NA 7286.48244 10191.01684 10615.01119 22760.68555 16704.54741 NA 10432.95191 3220.954501 18092.49195 44902.5602 30672.41703 4618.563529 21364.35043 17152.21019 27648.53886 NA 22370.07197 2314.079194 13784.33922 47446.31635 15655.29645 4456.508586 25724.20639 19182.68 5347.444955 21037.95064 3618.14694 19755.59184 14538.50665 7369.650903 4987.02078 18043.63185 7373.935732 22823.3955 38678.03503 4439.66096 20213.00135 188621.4831 2856.467248 69076.98612 2-Oxobutanoic acid 244819.7552 NA NA 58035.86457 NA NA 38898.89648 35545.16792 38924.50011 40149.77352 32307.58015 32857.88224 32220.67504 29333.80064 31227.4417 31094.51337 29276.93576 37081.57713 29104.92896 27443.73327 22479.96405 28193.87728 28663.61224 26724.16752 29015.5848 NA NA 110631.5489 NA NA 180800.6848 NA 95331.15512 NA NA NA 139276.6486 NA 172810.6636 NA NA 128789.0677 NA NA NA 114483.3021 NA NA 151257.2115 9228.046558 NA NA NA 19982.54485 NA NA NA 94492.55608 NA 191487.323 NA NA 104192.2699 NA NA 78007.47059 NA NA NA 110686.3812 19693.64477 NA NA NA 165289.2567 NA NA NA 153725.889 NA 132461.448 NA 131359.5461 NA NA NA 101511.8777 NA 63331.29584 NA NA NA NA 28812.4556 NA NA 99781.89752 NA NA 18092.14589 NA NA 48507.05863 NA NA 38411.68924 NA 30246.31401 NA NA 40954.14855 NA 70536.13763 NA NA 21108.75682 NA NA NA 126200.1706 NA 226357.0727 NA NA NA 89941.10761 NA 248002.8156 NA NA 133906.9415 NA NA NA NA 178406.1378 NA NA 145938.2924 132254.1396 NA NA NA 320136.7444 NA 96370.9015 NA NA NA NA 95675.97821 72185.3343 NA NA NA NA 73645.23334 83312.53716 NA NA NA 88453.02103 NA 88559.9722 NA NA 144658.9076 NA NA 102733.8219 NA NA 113179.8179 NA NA 136269.3325 NA NA NA NA 97355.39227 6593.664006 NA NA NA NA NA Hippuric acid NA NA NA NA NA NA 39371.12178 33177.57803 31692.56464 30590.31307 27801.35659 25448.18605 23716.68879 23448.64072 24406.81338 25647.15991 23896.52747 24138.43756 23019.12527 23990.89742 20133.79507 20580.50298 23026.74858 19882.28588 20677.08235 16478.56138 6894.005598 8348.03653 22667.5425 58476.67235 23992.47013 18409.67951 8767.772074 8359.575744 48061.26611 20936.96756 10959.43837 6762.42138 8629.273548 14291.34494 4386.914229 2210.285122 NA 32487.55006 69730.60398 18201.43572 10727.11515 55669.7832 18000.91898 3436.6971 17372.05505 6615.258311 26614.7613 4496.240456 6512.421938 6939.569004 2923.262665 5329.597202 6652.681488 5733.632565 9006.354664 3925.842557 3724.777298 11009.35643 53072.51486 11887.08297 16492.88917 NA 4394.022788 NA 6579.228224 10739.01566 31512.95716 1903.829072 NA 4266.988293 37483.90069 13100.15492 10364.24665 12521.44435 3607.616817 5521.581242 44840.75332 55727.99045 102809.9049 10930.54164 8285.380295 32008.48569 7411.563587 8614.477437 15680.13182 3307.36426 4991.55175 NA 15961.0365 11893.74187 8802.071827 19729.93672 4414.948217 2491.938714 6467.232887 13819.23661 3582.804683 6646.583745 12010.53376 4303.413336 26878.12435 5777.529395 9317.02364 NA NA 3326.187523 2960.138843 6365.367665 9329.341879 4091.768301 21475.98103 5584.560639 11390.5586 20106.22086 29578.45505 23546.14055 27472.2822 25795.25598 12910.17688 4798.96806 7330.102424 4010.159434 4929.626859 9846.702293 5776.340592 5241.72505 5974.098552 3661.348134 NA 2385.551654 9615.043379 2503.911414 3032.275123 11571.51641 8848.014469 10836.29501 22484.73778 9761.658511 32176.86215 11309.36449 39431.97422 9678.570586 166286.5687 488633.7494 126564.0968 10584.68287 19596.97371 10305.45789 66626.4083 30374.05013 20797.80783 10075.08575 32449.91909 13102.39223 5031.961456 3021.064244 8915.972696 NA 8935.845129 5057.177473 11708.97504 20960.06939 44637.02083 3925.177359 4314.345829 13304.67578 21306.88059 60562.1097 26575.98847 16755.37144 23678.09151 54689.56188 26321.293 57950.58932 16378.25051 2147.435978 6986.051979 2269.997867 32817.27416 96746.17007 48174.50403 N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine / N-Acetyl-S-(2-hydroxy-3-butenyl)-L-cysteine NA NA NA NA NA NA 12335.50959 11236.64866 12160.05077 11463.23741 10083.69781 6999.909462 7190.447801 8128.269121 6764.116218 8584.411255 7401.599734 12225.12968 9262.117496 7703.639034 8001.238338 8116.795902 8453.26626 7490.421257 7099.113774 11876.26901 6203.811416 1925.904538 4073.901784 35412.90157 NA 8178.363296 NA 4445.220544 29460.22823 4466.476904 NA 9147.53658 NA 10533.47614 16704.4223 NA 7984.224535 13986.68937 48005.7529 NA 4759.289422 20484.7147 2194.270734 NA NA NA 9770.983136 NA NA 1940.604745 NA NA NA NA NA 2776.408309 NA 10554.80005 3165.649706 NA NA NA 4143.412508 NA NA NA 4360.820612 NA NA 5764.483322 16220.53379 7963.589077 1525.601169 26984.53056 NA 10775.69875 711.3251509 4098.149206 5407.43572 6151.30323 NA 18585.53972 NA 3742.057369 4500.481943 6037.326074 NA NA NA 3248.913747 NA 11716.18484 NA NA 2890.818165 3501.713818 NA NA NA NA NA NA NA NA NA NA NA NA 2910.225272 NA NA NA NA NA NA 4259.103878 17170.45165 NA 24717.29851 NA 7290.592162 NA NA NA NA NA 5328.531166 1792.362223 NA NA 14050.0784 6483.531164 NA NA NA 2012.320097 4106.339395 NA 8693.400299 NA 22733.42547 2801.533174 3901.57094 13893.2177 1385.344173 NA 13173.31461 6961.597487 6291.716286 4041.334732 NA NA 18270.47013 7440.349038 NA NA 10138.37227 NA 9854.323672 5757.737957 NA 8480.547408 11281.21599 NA 4968.464008 10490.58807 NA 13632.61134 4115.873835 NA 5261.675704 10002.77548 3835.915406 14526.5938 NA NA 12871.8596 4723.278786 NA 8649.899438 5293.822643 N-Formyl-L-Methionine NA NA NA NA NA NA 1883.709822 982.9675795 850.6572957 1253.659656 657.8875982 366.446134 414.3217425 217.6322663 1725.14483 608.3358082 601.2496726 865.7300242 928.015813 161.6591357 813.2465438 608.2256076 133.550818 861.0949122 663.140173 647.7174809 503.5775978 1510.981164 146.3791873 692.1454431 196.4210597 2545.151081 288.7871085 184.1650083 695.7184721 383.1157209 315.1279303 875.657847 291.3269055 3796.570045 939.9407954 513.7269533 175.2325637 685.9846169 1637.596436 2765.969793 381.6279964 854.0226112 1160.872418 NA 338.0104162 270.315554 453.165959 NA NA 503.0375031 NA 130.1916872 984.3894 1073.744732 445.5862618 352.9771706 137.5192973 319.6484864 499.0846217 964.8766299 364.5085347 NA NA 429.5593108 NA NA 611.9078969 NA 123.3346751 1265.038003 560.3208649 NA 321.0731222 690.9566096 126.2335531 1176.793638 1157.581094 862.9831254 205.4440603 1021.769973 608.2492582 1058.094621 1076.666859 506.0610689 NA 627.9786559 409.7107931 296.351565 305.2750423 627.9739478 461.7740716 392.5949182 166.8867244 NA 78.23599433 141.2323579 139.9045754 154.3475872 327.5053599 NA NA NA NA NA 128.8261589 349.2504096 NA NA 123.931178 NA 869.0806954 174.9311238 NA NA 122.4704074 3374.015884 1254.284568 401.3369657 143.8080876 274.5700964 3751.615431 225.7681446 77.71631686 NA 434.8402848 69.57187231 212.7836152 NA 153.7283667 799.9419803 728.5825883 214.4829594 142.8525514 507.3417901 610.112176 2063.746137 628.5191531 545.7898914 1204.759336 343.2447296 426.2952034 1115.531218 319.6399302 542.1615992 270.8127575 166.1592045 227.0140507 181.3889203 345.9243414 NA 252.3012949 274.3902546 293.9717235 689.2444148 130.9226043 119.3184789 398.3210955 313.3607153 378.8850481 378.0585019 867.7240379 556.4850476 NA 520.8670229 1124.311848 427.4870661 375.1225449 1293.255978 356.4275874 199.4792562 638.3819605 275.4365197 558.7436586 1055.477938 288.4231406 NA 276.1950065 156.4087029 451.3344829 132.445941 905.1228463 Acetaminophen NA NA NA NA NA NA 72449.30152 71939.44496 69833.60594 75254.18078 65627.3778 71023.34621 62545.206 61986.44671 65008.19669 68173.52273 70078.71066 62280.92202 61658.60124 61532.55495 64735.44232 66750.94806 66272.883 63419.74086 61606.72073 634754.0256 289060.5912 287050.7563 43156.7846 118591.45 12728.76806 12031.06287 NA NA 22204.01149 5544.60094 7757.940263 NA NA 4941.845232 6998.35846 NA NA NA 8012.822411 NA 15762.97633 100268.789 18166.05605 NA NA NA 159932.6672 38074.0112 65579.33504 NA NA NA NA NA 9865.783297 34581.60071 19787.69779 60678.46596 8683.033439 NA NA NA 17091.13224 NA NA NA 5655.631812 NA NA 5516.896559 18307.82116 7404.097711 NA 13426.17375 NA 5686.52201 6720.815986 4742.629753 13081.98376 31332.22939 13566.34308 69076.21915 NA NA NA 6135.193554 25869.99787 3989.02765 7773.761797 NA NA 6779.942068 NA NA 40506.75992 64921.62328 13417.22153 NA 6890.783705 NA 6740.312879 NA 5948.793501 NA NA 7828.04462 NA NA 7353.744297 NA 15597.72213 4676.021073 NA NA 9114.616854 NA NA 8341.6134 26961.28395 6422.999422 11606.61115 NA NA 13499.5111 22678.29653 72241.12968 31492.34138 81802.30347 37568.93506 18605.12841 8807.35743 NA NA NA 3138.112304 5352.298468 NA NA 8818.175739 NA 20574.57811 NA NA 7102.857028 3153.371804 NA 19159.55996 NA 9948.442839 NA NA NA 18732.75329 NA NA NA 9534.166441 NA 6376.542925 NA NA 4817.309563 17703.34735 NA 5474.728066 25137.04192 4783.952788 15827.44319 4800.087681 5718.673207 8064.646537 31965.48183 3137.198777 13323.87262 NA 2287878.705 4161100.292 2011260.992 18866.11337 15063.05029 8757.026508 Theobromine /Theophylline/ Paraxanthine 2512.845027 1083.3937 NA 7335.103884 1631.2047 NA 413213.5819 442283.7553 423799.3244 408845.2082 405999.0365 398286.9468 407539.0609 357874.4213 377909.3858 463640.6629 392517.1748 355096.9613 349249.0848 339930.3903 334683.8004 348154.6141 356227.9109 321184.1212 313287.2633 74184.52213 35836.5485 41985.15514 837651.1424 1772434.586 661167.9276 305986.8878 111832.142 214702.1239 787352.2923 463815.051 344678.6207 289747.9751 246101.1893 551031.4114 504461.0268 189578.5982 270214.6373 692651.2043 1162597.274 431998.0066 13487.81341 441237.9684 142905.3104 33473.96793 79844.10513 46127.72514 526652.8901 253565.0113 315551.8508 711751.1697 395371.1608 244481.556 3693.429753 5219.532872 5900.480269 58699.33919 45892.76498 87470.61958 2359765.986 776477.8406 1100736.47 70393.1443 112089.6474 49804.11562 50455.68405 70372.58473 121408.7621 294332.0109 141383.6741 479526.4909 6281736.898 3233180.532 2119761.852 1031942.192 272222.9457 374947.2094 17934.03967 27953.99237 42720.24535 869553.3027 429423.8355 2671464.205 94617.06672 117473.1923 235689.4362 553474.3702 1156991.22 449897.5133 841058.1912 485642.0403 286471.502 235093.7257 159638.3612 91148.54168 732646.9295 1252360.168 334248.1278 305944.7854 464658.1653 183602.4382 688300.3809 249241.9717 380043.2099 72086.37969 60538.7691 117264.222 10219.97444 6938.38407 9668.456442 652388.406 1822851.105 959840.7844 284356.4065 204108.9276 791923.5293 7114.429188 8799.896986 10657.83883 639947.8861 188548.8426 313579.503 64109.70628 84711.3396 3694.671823 345171.698 950498.2857 484976.973 102285.6796 46072.75544 33114.48894 110476.3098 60112.88011 46733.74478 198966.1388 247882.613 791898.4635 89194.28207 43884.94107 133176.7653 180175.5569 1715505.188 221259.8916 1138266.225 2534363.935 909993.9705 189704.4997 552145.4397 292155.3237 67285.54899 32368.1784 24926.43266 758860.4327 2284687.753 1096476.041 59048.66318 43477.85299 118931.9658 18234.60763 32143.031 15959.78614 550168.8581 1042996.282 1678022.616 11385.60241 9267.547541 19420.69091 144993.4202 414363.4635 215558.3707 88414.87782 126411.4059 274652.9414 763579.8544 1579025.63 586792.3778 86462.10567 136091.754 91655.87072 268263.0276 694246.8112 361572.6535 Glycochenodeoxycholic acid 63207.81256 213614.1835 99772.56471 18002.19044 133163.1566 58883.44941 1114661.681 1094051.929 1007800.837 1011847.486 970999.3218 971116.3279 921906.0635 925268.4506 922486.7327 1006041.046 937759.5969 974343.6687 916831.4623 925311.3366 917884.8435 958447.6227 1008848.499 916412.4442 924949.1986 321783.0385 139401.2731 72161.62162 672582.3634 1750012.253 553589.5089 183452.5031 40381.2706 159067.8403 448515.9348 134931.4282 87823.47647 148724.525 119115.0605 507358.9975 1960192.447 513133.4105 817300.0702 1314748.364 2777801.244 735550.7991 532455.5668 616415.2255 103350.011 421491.6906 2236335.807 886001.5086 1136858.866 161017.0892 334465.5053 132803.5241 46196.04171 35152.03198 1254758.597 897081.9332 2535348.031 1406971.87 1180659.643 2766324.513 1238851.794 192764.4366 335994.9728 73017.28056 112655.8056 26070.3424 297066.2494 713941.9336 1578914.407 1010495.579 538775.2802 2298764.923 1946656.383 776689.1121 503516.086 677541.6081 130951.5585 282406.6325 54117.07689 106685.9637 169284.698 993085.5239 643226.6984 2599044.007 205348.5406 354855.5401 761357.3048 132328.2502 162639.0915 46906.83741 1028838.46 530480.0326 299680.7884 480488.9176 241147.981 68958.95057 983332.9934 2052780.151 449254.469 654344.5225 1381098.644 340562.0145 841582.0763 109574.8313 289541.1515 130039.3325 51525.89874 273773.6436 650227.9377 1136689.12 2129302.19 408292.6616 2247238.529 794789.0732 28378.99275 44123.32033 88408.11259 347044.6507 478169.7307 898542.2496 944529.4218 255462.3356 409033.7536 130442.1154 225383.8361 677251.8716 1134449.202 2206872.782 1268469.23 215289.6441 111300.3314 60918.29495 1228966.922 454766.1532 237401.7432 275191.4826 391028.5165 1119617.776 395143.7354 167480.2753 600700.3988 190380.335 1563940.701 254793.224 333101.2221 1032418.162 181965.828 305642.3091 1063346.247 431138.7239 498569.4125 192141.2453 91555.29086 173611.2716 789834.0969 332257.5735 1030570.591 700495.0091 2093342.806 376332.4601 1941441.172 914320.5805 401221.3422 907071.434 2074712.042 301385.2353 461055.0241 1535241.785 577778.1776 2090985.288 827204.4684 766327.9396 903300.6474 2808436.389 910958.6784 2046830.972 611888.0304 64041.21301 248669.2745 104437.3561 416772.8823 1378309.291 574616.5899 N-Acetylproline NA NA NA NA NA NA 54227.23243 54889.19902 56786.03876 50725.16507 50413.30454 52322.35603 42971.16258 44022.99589 40392.56745 43555.79217 44864.92259 54507.49492 44968.39482 44697.9651 39905.592 47709.57346 40114.91458 33491.88578 40178.25874 52789.76749 19435.99507 62090.48438 36241.06182 81662.00701 37775.15256 130014.9963 48278.58603 24696.44891 45518.17876 16499.50385 32005.35753 50095.16369 60140.37875 431364.5946 80628.97395 50626.26731 56667.06802 57494.11654 201724.3713 245848.3058 39281.19742 88451.6819 48079.74134 18363.95489 57082.88162 17069.50577 79676.47288 10948.35049 17286.76709 89814.74628 13337.59485 34120.78103 22720.99893 26615.23711 25932.82701 9619.599859 16214.66669 44819.94409 53213.94962 17021.81501 14545.10169 7252.250701 32095.94224 32695.3508 21274.21127 17245.57992 69059.19184 57218.54952 50048.20211 106534.4512 31092.0397 21880.21167 28091.84669 112084.1519 37788.40708 49412.38054 40061.44852 30084.27696 48856.85911 27977.08699 47911.79244 131623.2697 36851.82788 18058.98926 40068.82817 16415.81378 37429.30335 39009.18506 86683.76481 54204.27447 32154.52593 55874.45959 7938.841662 4952.01235 15554.64196 34291.5369 10330.36252 8898.118257 22861.29349 11401.4897 18240.76027 5310.914806 3575.177216 3046.932346 7604.224006 17963.24009 20340.47305 18895.0963 23487.16246 15682.15359 42139.34309 17435.37119 8900.932259 36519.39331 54244.54254 121549.0711 33801.25418 65933.8932 88269.90837 38827.76961 117419.7512 25287.84549 18694.20438 34301.239 32044.10587 36169.4591 17062.90975 29125.45907 2945.465798 15460.21622 108795.3533 43070.40181 47548.08076 48077.6802 34494.58277 133371.0143 47875.78784 32791.14897 125325.4175 27715.5181 95838.28002 18652.87159 26537.54146 94674.64232 27601.12035 46242.56723 101471.2114 29429.80628 53118.81976 23002.32861 25204.72108 35424.29173 71812.66553 27901.76417 22626.69912 31935.84169 72164.66852 18003.7668 49757.55062 20883.21078 26954.44959 16666.04545 28360.47314 26155.71108 27556.94 56443.17524 29897.07565 88013.05169 29397.5197 33616.34165 33573.97918 44120.98984 19120.38166 88387.2934 27313.22963 23293.15231 55077.96806 17702.75021 53372.68263 56782.12344 63473.54848 N-Acetyltryptophan NA NA NA NA NA NA NA NA NA 3112.654538 4713.910627 NA NA NA NA NA 6840.45958 NA 4572.911361 NA NA NA 3424.327511 5299.668314 NA NA NA NA NA NA NA 4122.377481 NA NA NA NA NA 3563.719851 NA 14068.10396 NA 2054.553822 NA NA 3700.576376 7237.003913 NA NA 3442.585379 NA 5490.295935 NA 3314.894777 NA NA 7044.798896 4230.637173 2080.674447 3776.470511 NA 4546.170464 2890.724534 NA NA 5120.002956 3177.666259 3120.334697 3000.357408 NA NA NA 2709.975082 NA NA 2217.205315 NA 8879.527443 2426.975296 2075.73208 NA 2637.413722 NA NA NA NA NA NA NA NA NA 2677.731664 3801.888198 6068.668046 3864.363299 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3062.647398 NA NA NA NA NA NA 3936.310028 NA 3226.260545 6452.378226 3590.708805 NA 3512.614626 NA 3530.003 NA NA NA NA NA NA NA NA NA NA NA NA 10933.54574 4987.638078 NA 7575.120906 NA 4804.108013 NA NA NA NA NA 3120.698447 NA NA NA NA NA 3670.120689 NA NA NA NA NA NA NA NA NA NA NA 2665.486212 NA NA 4978.853274 NA 2357.580046 NA NA 3728.552447 NA NA NA NA 3413.488739 NA NA 4811.96105 N-Acetylalanine NA NA NA NA NA NA 18442.07337 19309.32672 21178.91161 25471.53149 19883.72731 19329.08387 14589.70413 18643.98153 19413.39099 18769.11725 20927.45328 20127.93101 17515.1805 16626.31153 17407.44617 16846.55546 15393.34569 15545.85766 15344.6649 24369.4303 15277.18433 20374.70179 12452.09329 26656.43509 13099.11624 27665.31193 10036.53668 13244.72563 41165.29724 24177.89634 12704.9201 20851.59184 18914.15558 44392.51713 31112.92187 11370.0595 18165.0821 18304.38126 39839.84861 10703.94299 10866.29836 29534.26847 8273.785039 5631.477076 10263.07524 8100.13996 18242.93647 2418.881757 15032.3922 17229.78065 8107.705295 10818.87288 23825.54709 22243.40177 22620.77057 5576.610935 4456.53308 16727.34683 27141.1187 7146.55598 11047.38783 5477.132913 14326.93819 4843.380449 3640.898244 9709.709176 17844.61506 14012.40182 8942.20772 28130.84511 30375.77724 16309.74897 11062.74544 39238.1625 25073.12369 15874.85883 11253.99088 14949.98433 19454.75907 15065.62174 9512.032142 48464.94236 10992.01327 14266.57854 19214.7427 11692.07581 15270.80986 5535.671718 18673.69815 11910.51098 12119.44502 24914.41269 6750.993068 3053.46672 6754.533446 12025.89329 3671.172004 7725.273389 6666.098069 3453.794884 9493.054087 3550.48979 4077.499567 2938.165459 1628.913302 8717.736506 4135.747984 12334.89028 12988.22992 3207.181669 11997.50187 5647.768151 12592.42422 12210.85419 13780.20158 13569.35505 16625.58897 12979.30434 27023.1903 13438.83525 10149.13691 13412.62512 15329.04689 9888.636104 9172.065984 9689.422142 6573.292414 10642.89989 4147.164716 7257.042107 24667.85698 14880.44202 7911.921297 10306.14821 13541.37378 13319.9041 40120.61307 6847.046068 51513.425 6381.832246 30775.00355 13814.85744 15153.83897 33613.91325 15372.40166 9066.280246 37630.02895 11011.19713 23819.17764 7789.277256 6803.610693 8102.650271 23589.05392 14616.23268 8880.018164 6001.814531 34259.69551 6801.489433 17444.93604 9732.371458 11838.922 14016.46515 25459.94523 11114.23089 13678.84524 21772.74649 10701.53462 27988.55981 14707.29402 13362.80451 20524.96006 36299.29673 18246.29674 29282.1075 11478.87502 12339.83981 20869.50818 11336.13411 13023.19759 28900.42706 15024.19827 3-Hydroxyanthranilic acid NA NA NA NA NA NA NA 131556.7229 118016.7526 118776.5647 100168.4661 NA NA 79070.19406 88350.90602 NA NA NA NA NA NA 92977.61544 NA 85451.17433 NA NA NA 107317.3059 158194.7299 21307.46894 27448.10686 NA 64939.55108 NA NA NA NA NA NA 8457.005775 NA NA NA NA 10425.09942 NA NA 14023.44118 NA NA NA NA NA NA NA 7657.99584 NA NA NA NA NA NA 71094.20959 5094.756025 8321.196109 NA 77533.99876 NA 2317.453164 39135.14286 2675.165095 NA NA NA 45993.91123 17325.52695 8797.508775 NA 61774.94193 14268.32707 101908.1197 126985.4246 130335.8152 NA 7712.412333 242028.5875 NA 36671.43413 NA NA 5102.605413 NA NA NA 4648.954162 NA NA 6895.403345 NA NA NA 4744.022852 NA NA NA NA 5059.601219 37180.49667 NA NA NA 2523.580919 NA NA NA NA 12361.0392 NA 18257.82058 NA 6314.572231 27472.45096 29810.43327 6697.2762 4260.889627 NA NA NA NA NA NA NA NA NA NA 69614.52254 5746.508848 NA NA NA NA NA NA NA NA 45920.74515 63256.15268 51877.51065 NA 12349.97042 75165.01371 NA 3470.195003 NA NA NA NA NA 7866.050677 NA 114650.2017 99521.75575 21517.33527 NA NA NA 53061.45986 NA 9634.114131 NA NA 25792.88399 NA 10966.49784 NA NA NA 8168.568323 NA 5759.784136 NA 125118.2887 2366.312665 NA NA 10949.41731 NA 4-Acetamidobutanoic acid NA NA NA NA NA NA 31419.36164 26303.62011 29285.35141 32905.48115 26237.52525 25535.33865 24160.68063 25793.94781 25845.48638 23010.53523 25490.70512 24131.34941 25008.22156 24586.16193 22773.10907 22035.19089 23493.04593 22870.82754 23900.07246 60126.79964 14184.10314 33316.67151 25507.16235 139227.4541 36858.22461 72664.14526 28690.54761 16935.66439 96343.40248 17808.89552 16103.0051 15170.70005 23775.99216 95627.10371 86665.37365 18722.39837 18748.07562 22247.1277 92864.02497 20222.36537 11945.68323 78558.56053 16589.51611 NA 27784.84392 6411.033993 41542.5961 5310.065759 6429.665151 50059.11609 8162.753125 13943.25311 10011.16085 13039.80853 16929.7797 8207.519973 12899.02038 38780.52125 59630.23257 12053.0618 10690.85239 5797.042952 32564.1522 10777.36325 4932.202255 9075.261312 36968.74981 23283.78189 27112.39412 109897.7429 92411.64359 17380.69419 22293.97705 71621.46869 11745.95853 16701.40258 20275.04549 13987.66815 45165.86088 26827.35841 32768.91312 151062.5829 18622.77106 11088.6443 47012.07305 12467.70843 19642.42166 10526.38783 35627.11034 19964.20912 21747.60955 67058.25337 6882.268853 7878.549821 8035.498605 22867.81743 8775.056427 4584.994424 18601.78196 4786.651876 21227.77387 2652.919882 5546.664794 3743.094376 7576.047515 29164.70692 6250.790629 8422.068816 23831.0914 6257.916703 22373.37524 6750.332843 7444.744797 15049.58663 31825.32372 21738.88128 13753.88004 15623.99337 87068.32603 21846.71092 18309.8389 18660.43572 15843.45536 16064.15251 15863.96969 16989.66096 10671.30526 25084.62989 NA 17291.31498 91854.78408 14524.7637 14473.97776 20150.18205 11379.64799 27635.9124 26174.01111 16683.17463 83687.97808 17862.67232 81461.70097 11297.84516 17565.22134 100747.3479 21404.79971 24478.29935 78606.01859 16357.71016 64204.32999 14424.95804 16851.15095 17329.98541 75524.87697 16399.42168 17289.15098 21127.50262 72438.46678 11373.50287 44610.90996 10742.46474 12139.77853 13704.03904 40628.0063 16700.01918 10317.8582 50063.65092 20734.38543 80054.08117 19137.2672 17792.1548 18186.16087 108630.516 16804.79317 73997.66726 17752.5903 16578.80503 49740.79814 5860.805705 21550.30443 62935.25374 20178.51679 N-Acetylcysteine NA NA NA NA NA NA 3418.45553 2155.265802 NA 3140.428574 3119.788486 4410.442156 NA NA 3816.571304 4294.351486 NA 4219.271173 4364.522544 NA NA 5199.783701 NA 4470.464936 NA NA NA 12434.6977 1632.394079 NA NA NA 1699.63358 NA NA NA NA NA 7020.091029 NA NA NA NA NA NA 2740.875981 NA NA 16011.64815 NA NA NA NA NA NA 1164.722079 NA NA NA 5655.419866 NA NA 8656.530933 NA NA 6599.674989 NA NA NA 5307.754328 NA NA NA NA NA NA NA NA NA NA 9818.61993 NA 5386.026778 NA NA NA NA NA NA NA NA NA NA 3368.050046 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8161.24287 NA NA NA NA NA NA NA NA 12773.07693 NA NA NA NA 9281.814638 NA NA NA NA NA NA NA 4047.025154 NA 7338.324915 NA NA NA NA 4915.044873 4579.884927 NA NA NA NA NA NA NA NA NA NA NA 5781.980409 NA NA 5768.670016 NA NA NA NA NA NA NA NA 20776.95036 NA NA NA NA NA 7285.510092 NA NA NA NA NA Nicotinic acid 68806.15829 51932.97065 51559.20643 11616.00559 16879.89648 23700.31471 30923.6533 34942.91567 32432.39591 30343.98172 26936.94375 23747.19843 24622.20302 19411.23428 22284.93783 23128.42712 20400.71262 26943.34329 23435.57368 19875.33913 18808.08843 18793.43315 20628.32494 19738.47227 19941.79431 19854.13399 33218.71474 29766.73009 56826.26289 21400.34086 27165.52924 23764.8903 24691.40602 30755.13752 19348.02735 39531.02337 17927.83455 109104.1705 31648.80269 18811.76741 17040.13314 20809.16342 67111.77651 22018.8264 17262.99291 12331.42029 52229.16292 20352.14206 21029.22909 5106.077971 5624.039644 7925.478342 7821.277406 7304.972646 10983.79909 8026.956468 9041.503781 16766.22192 14672.36061 15120.36846 NA 6406.148564 10764.86876 3923.338646 12374.80125 11161.52962 6050.723508 7540.035245 8397.352377 9612.540799 3248.818862 10549.50104 3519.071492 44018.34815 21051.47916 12814.22446 14071.57919 27367.88241 14700.83093 15346.32257 14500.78695 16642.92094 15594.63792 16184.08435 10417.96606 14731.45823 16716.08084 12931.73503 10624.26263 12865.15189 11098.01987 12471.35767 7412.643385 5650.276504 6891.355275 14024.62554 13946.58878 11732.19594 9506.53732 NA 7001.436208 6534.435684 8182.875557 12612.49297 NA 9378.988616 NA 4937.831364 5009.668435 7484.300016 NA 7587.006635 7210.415615 27655.46446 6587.85876 5685.499904 NA 7390.272059 13208.20386 26585.96948 7446.246007 20400.46336 20476.71843 6645.642654 12292.36269 19365.07088 27180.96283 19418.24353 30976.51375 3520.150634 3901.613919 5412.401734 8662.121713 5936.626836 6865.032866 17241.29872 12969.87939 31971.26196 17894.92724 15640.06191 17698.73243 NA 25396.63703 17615.19353 11668.72134 14036.60082 14533.43811 14337.88125 20990.72181 12744.8456 13687.33662 14334.7422 11096.73016 15737.84717 11671.69869 14621.02486 13559.09962 11942.30094 10001.83096 27176.23227 13702.38756 11543.09059 12649.00846 11807.67599 11103.88036 20472.45912 14004.01622 16136.60527 11469.42873 15636.18833 16486.18518 13024.16148 19406.78222 13684.18511 26714.58344 25475.77434 40412.47348 NA 30410.79927 12171.485 9125.462467 12695.43717 11852.53796 NA 11929.85141 11649.34193 23412.235 Pantothenic acid NA NA NA NA NA NA 163024.9092 149107.7856 150143.7666 154700.9889 125935.2702 92378.1076 97979.95453 95585.03848 92772.78229 96016.44544 94319.77704 123627.5263 110539.8398 89303.92669 86428.88017 85660.30302 96749.45553 92162.21108 88366.26297 67181.96193 57791.45153 93946.05941 265063.8024 345135.4867 350067.3883 192159.8384 185437.2779 172272.2714 137200.4658 64008.22483 65561.01911 166322.3659 187473.2085 167847.7215 127246.2773 131500.0503 120731.7766 64421.20454 101422.5951 47318.79134 94921.54867 220947.932 165761.1913 21914.61556 33945.59944 22870.9411 45662.93131 11129.45296 9139.678303 71617.53587 24396.1728 72008.38092 40548.264 57518.95319 25245.32151 22928.59209 37293.96472 40796.97734 71926.95493 31452.61751 47806.34836 20786.97957 56418.87513 38301.89841 NA 13124.70019 29214.44636 71739.67396 75003.9803 71591.85967 61076.32789 27426.9858 42592.4555 134891.5924 70064.25865 121147.0997 93797.98916 73223.51469 49994.38613 98216.15173 115279.5241 134346.9848 78763.30297 63021.94249 79617.05061 54328.83801 31351.00865 32294.57874 27846.67562 62156.07942 54219.3359 41458.01328 18199.05766 7078.636367 29775.97876 39821.35592 29849.71382 37629.60668 31150.55161 33686.72386 17512.7518 12360.38589 8922.182722 17133.26967 14744.8185 42275.14038 20883.19627 34249.4133 38444.93015 10314.75599 22434.66957 19908.64881 36996.18725 209899.9365 81911.88915 391687.9557 238564.5626 85769.23241 67801.35106 41081.60712 41675.10985 108139.5037 81628.85271 21068.30251 17110.58161 20431.34628 35697.4052 35021.214 12662.15657 67988.26054 107739.8803 70459.35267 58832.1158 81505.55289 59405.7983 33868.20587 76130.78509 120662.6349 113610.0877 100278.69 348374.3275 79362.20186 76603.00354 110445.7259 61188.01239 51870.54369 71726.2326 42437.43348 67038.08069 68344.07303 47905.3519 77395.07927 99978.30125 78374.36586 72357.39132 59241.53992 102664.4019 62356.13087 63101.95906 44428.82456 60843.08405 39343.51481 53985.38203 50724.01437 40041.93791 56290.3319 82407.18192 173093.7796 65656.37535 70366.66157 59635.7324 31647.16684 107299.0694 134504.2616 69912.33392 162830.5188 106996.6165 40004.55275 51086.42602 93160.65251 64253.53603 Dihydrouracil NA NA NA NA NA NA 6668.313123 6575.104761 5285.739461 6663.732905 6281.069288 NA 7363.591382 5024.921066 5790.506403 5735.338309 7133.802238 5840.339484 6997.352057 3318.085389 5886.163693 6005.200747 4763.58593 4937.148703 5678.48114 NA 6240.768456 9594.890724 12837.1618 3083.50429 14739.78633 4863.708765 9488.669139 9535.181477 2895.308741 5329.02222 7727.015809 11798.23408 12599.81884 4848.702893 NA 8839.312001 11240.05977 3275.23273 3738.564348 4856.898529 9959.865113 10048.88464 12123.11391 6771.184817 3800.184459 4425.948067 NA 5609.9621 8677.222872 5568.4597 11912.63884 9673.93363 5460.287411 NA NA 4683.211206 NA NA 4749.075067 NA 5161.987263 3359.581332 NA NA 4272.129013 7215.362487 NA 14839.07765 11459.47713 NA 6124.581246 NA 5478.656853 24267.1352 4290.205411 9762.209299 NA NA NA 5335.331835 2034.352337 14779.5154 7018.153923 NA NA 4024.354631 NA NA NA NA NA NA NA NA NA 5427.63205 NA 7796.816791 NA 8758.151676 2963.826523 3223.910486 3992.906663 NA NA NA 8330.749445 7289.403268 NA 3574.588418 5493.64856 8111.230735 8260.447905 10404.0493 NA 8063.63168 NA 3864.848582 NA 3752.519804 6436.186705 NA 3763.771143 NA NA NA NA NA NA NA 3767.268156 2817.920665 5532.667013 5195.866161 NA 4553.088172 6854.749381 7976.098019 4436.398919 9526.675992 6432.533393 6347.440588 5880.497638 5253.836139 NA NA 8865.941371 5257.638751 2876.911965 NA NA NA NA 6095.979799 NA NA NA 4873.804388 NA 8287.719482 13374.93434 NA 8193.568419 NA NA 2685.797441 7800.540103 5549.506207 8818.620551 7168.964968 15480.66739 NA 8658.821607 NA NA 3406.269635 NA NA 6370.37552 4816.630182 10934.58747 Biliverdin NA NA NA NA NA NA 1015668.309 900276.1463 907609.4611 847315.2388 700567.229 631892.898 566805.0375 576027.2617 623387.122 604442.7532 553520.3582 603483.8127 564249.9565 554634.8452 495069.3653 523623.9176 596719.698 531652.1088 521257.4049 1494781.461 754433.2264 847880.8939 816555.521 783073.4348 622439.1622 3018195.168 1072889.015 752556.3066 941118.9879 464122.2711 246971.2202 1639201.922 1012496.948 2103520.63 712352.8389 380703.898 706237.6247 422573.4426 693019.8278 169958.1482 415797.4142 2011142.713 716434.647 87220.55195 886267.8219 73137.98139 245840.1125 65167.37024 100191.4424 648097.0901 70121.52075 215535.5139 246259.6766 220305.8642 603203.8385 255780.2702 187994.3902 503182.546 394763.999 42020.52237 159860.0862 634866.3496 1638779.797 445481.1268 82990.08361 232649.6823 762391.4345 296076.9518 162289.216 326811.4759 510885.0946 176042.416 72277.55675 203680.2023 24179.41774 138313.7845 150117.3067 207208.0411 414635.6638 94451.87926 64860.05356 303999.4751 85785.50678 110830.0741 187902.6868 545778.1455 852363.3817 166614.9146 213012.3167 174843.1006 98232.27886 439816.2824 69007.79329 46336.5659 197871.7207 339932.3045 111244.1043 282259.7112 416774.7458 163300.8281 252774.6523 30823.25607 34550.12975 195811.5587 131443.3005 732968.423 164152.3952 348207.792 416989.0989 77498.05621 169937.9776 38630.00222 157500.4725 436720.634 370959.652 278904.1539 280688.5374 182345.7208 706083.2001 309206.0281 748893.8003 278262.2626 628997.1273 316831.4206 65797.68762 161247.0092 164690.2877 548763.5823 170284.6533 260997.5389 348540.7559 184176.7439 130859.588 64684.7993 37940.68311 309351.3065 2727040.356 537993.6082 1826814.395 144580.0897 765737.8766 144854.1134 81150.68543 252936.511 49798.54359 405773.8165 843134.1973 441468.1468 440702.1579 377869.0692 118090.0862 234133.6114 1091228.124 891827.888 239537.503 147013.9495 488652.3628 35806.45299 184641.6189 169146.4832 110011.1079 456196.8667 606588.137 193139.1327 256066.771 828938.4989 459588.3495 889113.4911 236356.7858 214691.4177 627059.1552 372108.4544 1354506.038 1510130.572 473447.7665 421960.5162 941472.7162 541384.1295 142163.1911 182778.3514 179317.5735 2-Hydroxypyridine NA NA NA NA NA NA 4466.44555 3766.158595 3017.90926 3655.388157 5202.23428 2317.585428 3972.0334 3665.079818 3505.71205 3976.795915 3799.202268 4006.396272 3577.222472 4628.252521 4101.433525 3781.803906 4102.455743 3268.362888 3026.531763 5373.471382 6277.211357 7950.980142 10489.66524 7812.429479 7827.927119 6500.840233 4214.169719 4021.266661 5106.665954 5759.080036 4981.014844 23951.20198 13317.88664 7119.782841 8385.513664 9539.291039 14799.45762 6418.668361 5354.428507 10377.55909 9961.873589 4869.356497 4875.653052 3796.431531 3302.199109 4872.017142 3270.241182 4757.724489 7442.798906 6496.163718 8523.258727 6489.367435 5225.540701 2776.297908 3602.644787 4265.212025 3538.77982 4660.232846 3628.409781 592.4006281 3730.480568 4628.707998 5283.163837 4489.010907 5480.86115 9200.729356 9953.897349 14534.77283 4490.892632 9212.255451 5754.445665 7146.868407 4065.692619 4671.041921 2666.567513 3907.15674 7121.889173 6646.216776 7294.961458 7482.412859 7352.476418 9193.775263 4147.720531 5253.898319 4024.131361 5420.514327 4808.535556 5247.993429 4452.331329 5203.268851 4688.235965 3677.010794 5893.87777 3322.553339 4931.519059 5791.442926 3694.331203 7239.033511 4051.476074 3880.525316 4153.297584 2843.339127 4312.96045 6518.901268 2777.541912 8618.990272 6373.209239 10111.10835 3737.674454 2838.446822 4067.384364 6691.476238 7305.37717 5386.481928 2825.407616 4332.212908 3630.566246 3803.757765 8081.902286 6408.80547 11451.26819 2995.110821 6082.867102 4019.219669 992.9443654 3744.905351 3987.550681 3811.333783 5077.019691 4597.694409 11945.47373 11354.74905 9047.462735 2255.154664 5888.572978 10017.02543 10594.37952 5627.272049 7749.265393 4797.594495 3453.070444 5625.440672 6223.745571 5732.552915 4535.902568 6070.365719 7887.697437 6047.998754 3812.561262 5442.361338 4091.795358 3770.080573 7270.159033 7278.617413 3699.322552 4049.658862 4969.475382 7275.530481 7073.506421 6274.89291 5023.72387 4601.218284 4029.219698 3210.526538 5180.375516 4261.132361 2774.829077 8388.584029 6932.07214 8380.036944 7403.324426 2528.332901 6661.108347 5682.098366 1720.339168 3108.324589 3795.844719 2105.509365 3749.298542 4244.232375 4038.761307 N-Acetylglycine NA NA NA NA NA NA 24829.29248 22344.88376 25539.14463 24397.33062 19857.52906 18833.06863 16021.74917 16147.82918 13508.69819 19280.5697 14617.33989 16186.25626 17344.41525 13148.80287 14438.55273 13338.89518 13921.26422 14625.33591 13121.51955 40297.00337 29006.62185 32881.26071 20533.36868 24785.62698 12317.38946 14971.8245 NA 12847.82089 35229.57956 32030.63016 12901.47687 16124.06611 NA 15098.04767 13678.65821 8650.35169 20914.6827 6348.352047 NA NA 22092.82348 45383.87919 18934.66324 NA NA NA NA NA NA 11221.32297 NA NA 17632.10866 17519.45409 11772.12581 10931.39921 14223.52966 27380.90037 NA NA NA NA 12862.50934 NA NA NA 6863.86952 10498.5325 NA 10105.25352 53650.29712 35826.26403 26350.6681 7619.322688 NA NA NA 7442.094724 7940.177039 8615.511282 7057.965658 21255.55218 8312.614915 13297.37223 13924.05955 NA NA NA 5833.350075 5739.603403 NA 6007.886272 NA NA NA NA NA NA NA NA NA NA NA NA NA 16520.61555 NA 5221.097378 NA NA NA NA NA NA NA NA NA NA 27036.44041 10613.98538 23598.61524 11672.80356 21856.01733 NA NA NA 6957.533833 18866.88182 6158.556849 23523.82772 7489.534011 7353.441824 NA 8601.591794 11706.85164 NA 20274.59289 8977.573311 14453.99342 NA 7255.515021 NA 14207.69196 20780.94577 8277.969686 NA 6696.637261 NA NA NA NA NA 13598.75929 9742.271269 15304.05859 7311.116737 24330.06571 NA 5141.087756 NA NA 11572.67987 12499.80168 9499.01133 23565.67829 21913.15306 23991.45882 74200.48075 35702.16352 NA 16442.15371 14365.83599 11021.08467 11652.29042 NA 11642.38671 21438.74698 17091.84415 NA NA NA Palmitoylcarnitine NA NA NA NA NA NA 5482257.519 5400090.252 4868006.815 5089274.477 4901721.281 4772786.55 4345575.514 4344528.09 4577126.57 4591672.849 4493838.071 4574962.44 4603138.811 4494131.942 4146058.067 4368622.381 4510172.698 4214618.933 4319753.382 2604663.826 7549452.559 9562519.444 6912902.225 2148664.543 7077664.309 3434624.13 5873912.789 6618511.145 1413493.402 5404702.282 5252946.728 12590933.11 11175526.11 2951749.229 1851213.105 5123734.32 5736333.017 12550417.23 1777628.258 10520771.19 5796018.479 2996805.114 7955445.427 5013038.813 1879964.65 6382836.48 1645555.22 6422473.128 7691835.738 2833758.198 7860595.236 6526919.307 9768021.28 6983819.645 2170435.654 5767068.518 5022402.748 2407063.137 1351882.446 3907337.252 6091198.822 7300380.696 2410062.442 6498137.771 3112938.284 3739028.476 1324723.557 3485538.793 2475975.582 1129839.308 1933268.072 4969890.291 4585216.897 2384455.165 5399310.089 7287784.18 6858703.468 8380367.583 2080771.212 11655030.69 9184144.828 3102894.782 7067957.232 7684819.522 2114047.675 10437100.72 2807544.436 9707704.234 1704577.109 7252628.325 5243832.028 1393868.737 5679792.924 4850471.412 7943210.348 1527996.573 7084828.414 6497792.405 1656606.07 4808819.721 1474134.71 4320664.903 5385028.127 6430040.802 4884605.431 2033624.678 4701548.304 5606688.472 1317613.628 6428374.162 2112185.606 7414960.411 11806916.82 12169022.13 2782891.605 5002775.095 4958266.169 1089014.501 2157264.636 5004835.66 4091588.841 8669672.191 9054736.585 971588.5348 3545869.587 1268054.846 4466011.088 2197641.254 6543505.259 5967265.419 1529896.631 5265321.262 4996875.218 10647515.28 12716482.4 1195863.326 3637354.783 8811744.83 2339079.204 9622443.081 3411240.284 9925626.024 6086102.584 1590017.115 4851882.251 6724867.303 1612783.595 7468045.569 1396532.268 5803899.408 4662891.706 6568569.994 2203309.034 7738387.008 5191465.675 3771565.793 1708363.397 7471414.315 1661696.168 4032965.724 6776834.304 4742397.949 1800529.387 5810708.831 8101006.21 1990416.919 4634475.984 2629191.647 5092301.145 8543190.093 8831548.712 2075851.744 7096638.99 1579257.175 5456318.816 6499697.71 2160529.599 2817108.397 2297739.955 1121330.59 2748344.944 Lauroylcarnitine NA NA NA NA NA NA 1208714.56 1177172.488 1086068.019 1069217.633 1006097.002 1007258.025 931561.056 890195.8709 947472.2647 924313.897 896173.1845 969201.999 932514.6874 828189.0413 844703.5469 925050.0056 913551.674 832697.0097 850420.7921 4257001.847 2543954.963 1387444.021 1129432.566 1852256.349 786131.2576 4375619.842 1379367.615 1841217.834 1597638.038 977267.6214 583074.3842 1426546.641 1060762.792 2156048.346 3441834.243 1086832.641 1982341.875 1030955.934 1268884.994 490234.8434 1267271.184 3560844.768 1229155.655 450959.9875 1113648.482 672451.8468 995919.444 468649.6443 668289.5315 1634356.799 802389.9301 589001.1163 1311057.328 505866.6494 2015783.139 2510707.973 1308986.75 3528162.97 550534.0625 344193.1858 354876.0235 1472631.997 2682902.514 1166402.664 337797.332 470033.6937 664843.518 277002.6291 281213.7554 371630.8543 2843858.363 1365365.074 1045213.198 1337488.063 525754.7786 745917.5362 472142.1098 867602.4777 1305694.16 462054.82 353787.1316 677962.7842 892530.6397 1292023.284 2608657.511 1344168.445 2582608.281 900772.9696 819965.5746 491269.3985 213417.1271 1259890.641 847875.8966 514998.8535 347426.592 499775.1534 200718.0828 651317.8358 1169844.443 364479.8766 2065069.189 616677.9201 1062078.839 1117965.066 978809.6156 1497720.609 210389.2045 372966.0311 476967.9129 326751.5271 1016704.286 452730.4196 789128.1362 719711.8752 1848685.968 377575.9812 553539.7824 822070.319 2237173.143 607643.9577 1395123.425 440821.614 711553.3102 273081.3304 217782.4095 352658.592 292104.535 2539813.8 1709174.623 892712.9212 804495.4841 446240.5011 321930.0931 306382.5013 386490.3366 662284.5038 1051418.137 386640.3074 976206.1805 295692.5258 1733433.471 297270.7701 740747.1143 1257921.899 446165.808 510248.5217 1221031.135 562656.4162 629331.0362 465037.6112 283941.3307 580519.0408 1849852.483 866810.9229 880653.003 428325.6136 1324872.943 365233.4113 1091397.193 644890.4626 590807.3604 1250887.948 1906447.675 445945.5288 526296.2878 1520917.355 695507.557 1625111.745 1264887.099 883523.9552 1446571.2 2538751.759 1186359.985 1919652.715 875953.6569 841282.2047 1788686.268 896954.6749 224289.3378 531973.3085 280917.9633 Phenylacetylglutamine NA NA NA NA NA NA 1753943.817 1668783.07 1508063.954 1464424.094 1335223.14 1228928.474 1118329.997 1018562.679 1266506.999 1352053.002 1282670.036 1310268.344 1196118.846 1245828.43 1109762.955 1193900.653 1180200.102 1142597.389 1138266.05 1560775.34 438227.2994 240535.5106 442822.8226 1615714.651 489172.0953 2551242.264 769531.0104 859235.0497 7786963.4 1999263.614 1950662.09 417333.6592 512075.2448 1678874.613 1362145.954 423877.8929 442171.5782 653311.8088 2248697.652 514574.0668 1053225.682 6050611.854 1768129.301 227938.3395 1161398.931 297936.1419 2107028.68 265303.3366 262634.0419 164677.5022 41194.12679 79532.43425 355605.8086 548428.8122 812935.4194 235505.155 344934.1583 872262.2292 1548184.121 210778.0832 285119.1593 78129.89888 220213.7591 83120.04962 46074.02867 78862.37849 280800.7336 913486.7234 683978.9153 3108461.699 3874189.418 1032228.656 1224891.324 3548776.32 568118.6267 1012281.916 1556665.877 1332557.761 4153699.648 889507.6996 867499.5101 4031251.979 231497.2395 206024.1738 508945.6354 492044.6024 730062.8253 336326.7601 823367.8242 466699.9512 468808.3137 2494598.906 342881.2927 228921.2355 511328.0485 1811855.384 408223.2043 174400.1566 438229.0644 179657.7442 616107.8994 100737.5861 116582.2971 129522.8762 175156.2617 246689.0985 165911.2235 259647.8355 655575.5462 261345.0497 1488542.691 343461.7788 388439.4847 968898.3525 1470841.788 1073414.953 934739.0336 1156476.557 3552375.995 1035613.687 1495335.923 94651.79728 95566.57118 1554785.581 801678.6033 967446.5263 650170.7404 413061.0553 90814.69851 315231.66 1539118.069 396077.5662 347547.09 898948.1039 520258.9831 512177.4946 1265729.977 628512.4968 2165541.296 805900.737 1038045.793 762527.9274 807588.6383 3921656.505 916604.5897 2005977.95 6488390.921 2129555.571 1381380.1 385029.128 349697.4588 369194.0585 1029061.679 393685.5848 483919.3438 361979.9261 1201601.427 396987.0761 2000928.852 704786.7274 514812.9433 813843.1515 1742988.484 478753.2764 154504.6527 2162790.717 274292.9135 390243.9552 229430.7862 1877461.576 1581661.384 5758536.447 301081.9426 881389.8534 247934.7093 309939.1286 1021734.347 417265.4099 959478.4655 3737521.701 1136496.849 Oxoproline NA NA NA NA NA NA 950641.919 874933.2207 884812.7834 985227.9595 831516.2202 824242.0419 619571.9198 581243.0694 643247.9968 663674.6642 648429.1941 794969.9321 680166.1907 614183.4568 605702.0159 607772.332 617670.8156 587938.1507 578989.7263 437043.3068 546981.1409 762358.043 1634081.076 1040808.106 1186927.781 968946.7766 1112165.952 1627911.553 512330.5595 1161844.403 571028.2703 1159717.841 774312.9006 694556.6655 345791.2655 587901.6812 1052833.962 983443.512 496264.5576 413133.2522 1080816.302 799614.4932 560297.3005 156816.9802 193707.8148 217213.3305 192270.5377 63772.08989 71937.63896 452786.103 207604.744 589247.6502 186193.6035 271457.8619 81407.9645 77596.17308 139319.5023 170460.7847 364342.6268 145240.3716 207762.7401 137257.7947 145189.8212 157170.1105 73689.7139 209314.7177 265727.0028 1308453.833 694542.1926 757897.0394 354649.7381 554409.9714 412512.1676 471966.8458 4253940.28 641664.473 473742.5644 538981.8576 316950.349 722591.0481 652079.2443 1465632.096 288577.921 394522.1526 145773.6346 297349.1114 122320.8269 120594.3133 126597.5345 366014.3278 227369.4992 265604.8472 154419.1417 45232.02024 140298.3208 149064.8993 108570.8575 132816.1189 60544.99484 89552.66315 160241.9796 63342.80057 107299.674 45729.485 87355.66909 117617.1701 143287.3869 451511.9216 182978.8555 110560.3497 188209.8566 225521.514 94797.06676 384130.8127 190493.9116 445634.4415 607621.3519 105735.0612 427450.5863 467668.535 706968.9109 683139.7023 918714.5697 159275.574 247222.0904 128825.9774 197761.5781 149457.3496 83206.29057 393671.3621 336335.8877 833377.8349 320617.4895 621880.7985 503201.2854 125307.3528 667744.8722 569383.2788 408421.0442 317224.4706 677353.8212 380689.1553 652121.501 613794.3351 392727.8021 357746.3184 322260.6403 378706.7137 232166.5815 285375.3664 178722.621 327468.7382 297767.3411 437227.4462 1132511.701 519281.7706 1027570.949 232034.819 285911.8315 284789.2792 378985.4046 383525.4865 288490.5647 859699.0097 1289852.395 1258600.749 480214.7799 587185.014 691269.7244 488673.2213 550196.7329 452902.637 574354.7237 215725.6964 271916.2554 292824.2189 244653.1036 245095.3319 355759.8408 260546.5901 521737.0257 Pyroglutamic acid NA NA NA NA NA NA 959507.2766 881824.9823 892103.2669 993141.6954 838740.4015 831485.4922 624732.9654 583311.7836 647904.9903 668080.7518 651618.56 804377.8662 684755.3787 618392.9675 610012.4239 612387.7694 622855.4387 591582.2166 585359.1464 437898.3868 552329.8538 752570.0019 1634856.147 1044011.11 1191977.415 972186.0366 1117274.388 1645828.835 512912.9945 1168129.873 572174.9335 1159717.841 778056.1944 694702.0933 346207.5424 590327.9418 1052833.962 988803.3506 496264.5576 413914.3032 1086125.859 801949.0999 562564.4898 157906.4596 193707.8148 217529.3036 192962.1585 63772.08989 71937.63896 453565.4543 207604.744 590585.5604 186193.6035 272003.8327 81407.9645 77596.17308 139835.6248 170460.7847 364342.6268 145240.3716 207762.7401 137257.7947 145189.8212 157551.1079 73689.7139 209314.7177 265727.0028 1313321.912 696801.5464 757897.0394 356440.6238 556954.1011 414815.6149 472640.4305 4262769.813 644237.2113 475982.7795 541625.224 317562.1612 722591.0481 654508.1866 1470221.895 288577.921 396559.4475 145773.6346 298220.6491 122320.8269 120594.3133 126597.5345 366785.2666 227369.4992 265666.4553 154699.963 45232.02024 140418.8605 149189.4685 108570.8575 132816.1189 60544.99484 89552.66315 160241.9796 63342.80057 107557.1396 45729.485 87427.62853 117617.1701 143287.3869 451511.9216 182978.8555 110796.8667 188209.8566 225521.514 94797.06676 384347.4419 190493.9116 448109.1253 610275.2242 105735.0612 427450.5863 468420.2303 709694.211 686591.2905 923495.7346 159275.574 247222.0904 128825.9774 197761.5781 149457.3496 83206.29057 394363.5621 336335.8877 837487.5236 320617.4895 624229.9688 506257.8628 125307.3528 670783.3074 571648.337 410298.2622 317765.8455 679812.9259 382680.5283 654799.4638 615100.3319 392982.673 358674.3907 323147.7432 379736.8512 232166.5815 285375.3664 178722.621 328317.9996 297767.3411 439451.0002 1135970.63 520750.6454 1031557.716 232034.819 285911.8315 286158.8324 379563.3733 385757.3576 289244.9829 862903.6744 1283234.853 1262315.565 481193.8677 584554.0355 693937.5399 489405.0559 553001.8261 454680.3414 576670.8735 215725.6964 272340.2038 292824.2189 245585.1313 246028.5603 357092.2578 261077.4996 521737.0257 Octanoylcarnitine NA 39818.2723 6911.58341 NA 93700.79318 NA 4176099.634 4002306.965 3682913.972 3571330.447 3506782.107 3327123.322 3056174.028 2847651.767 3104322.181 3374371.107 3121429.327 3357638.222 3259638.539 3119345.186 2926235.487 3056864.802 3164683.252 2989467.25 3015309.859 9589621.11 5147170.812 3510549.885 1824445.171 3613324.856 1281970.949 8772046.278 2635432.669 6946854.534 4342246.963 2004325.704 1250027.042 3550647.642 2762939.805 6777206.623 8635254.767 3015237.8 5701453.504 2772197.524 4700592.201 1282729.862 2955649 6866949.818 2591044.967 1221821.788 4819009.689 2413254.405 2978227.475 796112.8478 1171110.787 4583233.752 2065002.443 1381923.826 2994239.885 1814377.46 5133579.917 3258116.475 2135672.806 5292189.118 3687477.316 884705.9505 1579074.452 4586036.281 6096764.975 2178095.884 725543.5317 1412638.17 2866206.734 799785.7004 384826.019 1531206.936 5924261.298 2447220.173 1838286.395 5379717.738 1393923.966 2488360.694 1842706.723 2691406.396 4555364.871 1483964.728 845249.4809 3961379.861 2021182.004 2886673.61 5260864.971 3838608.664 6366378.758 2541708.951 3097144.657 1848187.646 1088855.732 4042534.246 1848250.834 1025881.086 1808591.805 2917013.466 958365.6693 1850321.209 3133996.004 1038471.122 4174025.513 1175011.343 2151792.127 3062323.429 2116994.06 4948100.438 349323.3315 772556.6848 1314370.187 578315.4914 3270141.465 1047769.617 1746328.664 1687636.17 3626370.909 1919942.705 2834327.449 5242849.637 6292715.794 2098229.749 4015270.581 818400.6069 1249489 1503835.69 768754.8587 1624110.472 1216214.632 8627275.161 3063826.268 2501051.504 4500671.372 1975646.889 1341016.231 649392.5125 774865.9369 3100373.089 2479130.699 1001094.814 3197725.842 935553.6026 4108984.301 1259085.532 3571956.807 7958405.454 2332831.172 2807425.775 7550428.743 4632985.758 2510795.378 1384629.857 819896.7937 1377870.291 4246906.988 2085337.888 2209995.804 1050134.525 4002682 1379907.174 4785525.729 4055568.122 1302178.238 2859600.846 4194333.769 1322878.846 1591179.261 5436022.886 1772248.649 4385194.697 2619319.563 3577976.042 4618806.323 8237652.748 2362566.161 4675867.648 1278403.23 2100700.121 4985753.977 4149422.597 1199879.17 3302316.955 1840767.651 Glycocholic acid NA NA NA NA NA NA 215495.8457 235413.1277 196026.0276 193750.2841 215036.542 226929.4697 209702.7098 194098.4495 192346.7697 200548.6484 181479.2786 233982.6549 223867.1037 201245.9474 190788.0672 188990.6146 215441.6953 207962.7593 197091.4491 97078.21243 40621.56089 52378.53038 82912.3213 244170.8131 67256.52682 55760.91383 14733.75626 21896.99553 93736.13737 28310.09617 NA 186594.5283 111477.0015 508041.6606 301266.1795 76038.77613 153996.9345 379452.2362 899084.3753 191002.9944 69824.61051 149482.6303 45077.53152 97252.48885 601389.5727 195711.9239 170442.1385 31003.19807 31429.30646 16616.36304 NA NA 252661.5601 247807.7649 552384.4327 162447.4144 173559.5881 460780.2616 232312.2256 55653.95365 69669.26314 NA 26800.06519 NA 60311.5033 113652.5489 424842.4892 253772.8752 118369.0933 637796.1018 142520.3032 55702.48716 50771.51065 197388.0671 46813.26974 81655.1099 24363.48254 29599.06948 68330.15666 70479.19557 58212.07453 292259.7886 48376.24871 60612.66339 145963.182 NA 20942.14041 NA 177624.339 116099.8296 69979.51274 112830.3923 22626.29588 6074.602724 49301.36248 127810.393 38203.62139 64494.17585 155172.4709 53655.17492 159124.2363 33439.7865 44885.73998 15565.43752 23948.6866 37928.79718 142675.1388 273963.9741 583337.1612 80549.50694 390711.8127 109069.8246 NA NA 25914.26755 50304.07539 78999.01348 86867.94589 166831.2521 63171.91877 89344.2196 45404.65788 58581.73492 104891.8337 217369.1705 292540.6006 188751.4345 55619.41715 NA 27947.20222 311702.2391 88321.4384 74278.66684 64011.74938 55987.03842 188584.2715 163635.7947 55625.45695 206878.9689 65661.54832 665181.4111 69474.8353 30952.78554 82693.14954 27226.37448 60398.45341 180332.932 68348.86998 51214.30272 28002.12191 14164.1865 35838.93722 113731.9517 58104.49165 554131.2738 324042.583 1251535.679 55572.6845 339083.1536 140901.7229 118273.6368 213768.2006 497894.1211 46082.75663 61587.49566 220796.172 182448.0664 1057906.809 276060.9369 321833.1912 448417.6759 1311486.251 221927.7362 485764.6687 127137.5111 19454.11917 69209.93222 39996.95752 116961.8779 391317.5732 146679.0916 Kynurenic acid NA NA NA NA NA NA 103043.4679 100837.2473 90297.71813 87131.73094 78812.5785 87591.57765 63048.62399 60770.66214 76441.37275 82696.13122 80483.47966 96408.48138 85086.41851 84902.34292 72254.39743 73680.79302 70818.69032 76806.76213 84270.00039 136742.0985 61827.95125 61259.6038 81342.49188 125517.3478 72374.21595 108026.1435 43192.13862 66979.38533 185042.3336 54717.42173 45759.58195 72019.08814 71845.09102 117497.1962 125475.1642 59420.8018 85808.49668 71764.24814 149655.3728 24326.89354 105253.1731 304744.7193 92989.57606 25937.79359 69452.46189 27699.87317 63150.06621 20871.47493 22925.14199 61980.87136 22347.7449 36823.18046 27227.11361 29860.43813 35662.16564 31131.32496 41634.5624 87225.44346 97919.69126 17735.26566 27109.49978 62681.11714 62171.20382 18884.54251 19677.482 29055.55598 76558.51357 52288.99639 34150.41698 113806.7715 253013.901 93004.04861 85068.68372 154672.1688 53185.26624 56595.74237 31249.77957 29404.71347 54068.54921 30324.15739 27391.81031 119248.9844 40386.85603 50280.22772 103126.7849 43561.69433 292940.9543 25958.93861 64615.44936 53492.61084 42374.90378 67765.74663 15288.49483 10837.95752 43558.36908 101964.7543 26191.71255 18617.71686 18493.3965 18000.86081 59624.05102 15375.08803 22119.35229 19337.7973 23801.64933 53001.45327 38448.44566 60044.8427 95802.88706 20615.84511 62154.8615 29789.87986 21770.55177 47221.7187 33377.60001 51530.39518 62636.80011 67593.27807 71079.19047 25399.71661 40085.1814 50908.61013 48489.82334 23080.08344 36768.70712 41792.92279 31487.53754 29503.56094 8458.160404 20591.9358 85251.91208 37257.51388 30736.96297 147248.3571 97891.06703 78586.11867 102348.6634 50253.21326 149616.5069 66625.46497 111257.4246 65629.97391 68637.35701 254486.9841 56831.21825 25086.19023 70013.362 29567.31594 58040.48988 35662.59799 21431.37239 44558.51974 166818.8428 76291.34048 23730.18206 16672.54505 52046.29514 28506.02179 74517.39642 45268.69143 51867.27099 76735.01609 115805.4264 26747.12437 23742.17946 112478.1212 51711.59984 161902.3329 59417.23781 72675.85007 74646.41569 130403.2925 53164.65295 266339.0634 28677.3126 25883.49538 71294.03042 36072.71115 42017.38622 117067.3183 58102.83483 5-Hydroxyindole-3-Acetic Acid NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 10061.27675 27884.06861 7270.622329 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 35268.96216 11258.02207 7784.784271 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3282.643669 18816.24198 3602.066233 NA NA NA NA NA NA 4321.225877 18360.81973 6684.642157 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3570.480983 8065.700009 NA NA NA NA NA NA NA Nicotinamide 36713.00072 60587.04655 21445.51724 19459.97115 29011.7985 7911.807424 2630536.596 2611314.985 2380688.752 2269450.773 2244199.567 2171636.387 2056664.866 1925305.56 2105983.175 2128779.719 2063423.849 1878084.052 1929287.333 1915167.408 1802280.069 1948881.763 1913038.259 1820213.115 1844878.194 268068.3772 2117486.213 2393210.392 3864505.701 290594.1124 3202791.276 290020.4952 3675688.463 5980006.625 213215.7263 6249540.978 4186538.218 7610910.775 4135485.706 1823376.442 170378.6687 2822594.203 3759012.15 1164833.862 125829.3474 984241.5519 4329252.447 247088.0615 3066327.259 1413271.065 215569.3644 2808751.487 147280.1207 1534733.005 2014443.083 336284.3356 3404292.981 2872251.833 3732787.603 2296748.366 266823.3976 824342.7933 880009.6478 181686.9532 143315.0676 2385626.852 3403642.67 860269.9042 143377.7208 1112938.499 848961.4199 1131648.92 187796.6616 4133681.398 2845206.859 302084.8071 159038.179 5131663.197 3403548.465 286781.712 1788237.008 2864060.472 2120784.601 3676359.358 183448.9342 3554324.7 2383189.271 374130.4512 1542612.923 2172711.818 151441.1022 3126631.455 295023.497 2405095.552 171144.8729 4278605.442 2270839.889 195861.7488 4798708.534 1904473.88 1859876.183 134538.1933 1353946.549 2335717.45 98902.23427 1193524.637 285535.8542 2578625.881 3559510.458 1760522.476 1385473.94 146204.2428 1911396.963 3171092.116 227604.7468 1668927.296 308324.5851 4981533.582 3675166.931 3639438.295 183408.9284 1488453.452 2077688.015 104771.335 197372.5966 1617634.417 1209474.381 3261580.96 4482052.887 209809.975 1077477.815 133916.6 1231205.791 212145.4287 1263289.818 1591079.573 100630.3012 3286180.952 1725057.691 4314279.846 6397659.843 89588.93563 588315.974 2503035.924 170822.4958 3131558.105 518903.0961 3628140.395 3924486.808 238343.2463 2354763.673 1964724.421 95968.11588 3059919.257 143638.0334 2444954.384 1808811.346 2210261.181 116854.1068 2729113.588 3483155.723 1365731.134 306205.2179 2293706.85 127814.0029 642481.9684 1975786.608 1111067.22 202703.8297 2333636.676 2630189.048 345444.0133 1959614.956 153850.527 2147686.47 2574340.015 2593351.449 186394.0187 2742013.64 99284.71589 2326417.054 2120385.185 101082.3758 725892.084 1691627.715 108643.5192 2183410.564 1-Oleoyl Lysophosphatidic acid NA NA NA NA NA NA 415454.2595 396734.703 380320.5409 361425.9821 337772.8011 348115.4601 325964.67 307832.6883 322395.9387 329521.7149 315956.0803 330968.0618 332292.3963 305542.5376 287370.8373 319390.9958 319072.6869 299349.5394 299218.161 201437.8322 324190.4123 175247.67 771590.139 317498.9221 654209.9702 289396.8012 402492.1727 586063.7962 108886.9218 719944.6912 439596.0504 625064.4461 424715.1754 312920.2616 194169.2531 391450.6156 707884.5467 413483.0785 144940.6868 225171.9771 555786.3937 276711.7226 270923.8118 300876.2761 237748.6423 435272.4979 202687.2401 158055.4544 222699.2438 306319.3708 599862.7405 437706.2772 310351.8345 251994.4013 157249.3977 176766.3617 166273.8357 196838.3297 123476.3389 139398.6789 172975.1367 226102.9297 155085.3756 171266.0498 357108.3556 530254.3534 334982.9958 602362.2249 495751.8741 280719.0459 226145.5056 493778.0995 522572.4061 186926.014 320520.3832 394022.536 192575.0414 207330.579 154104.1896 436470.7954 360054.2278 369782.171 263330.7206 383909.7238 220560.4749 186881.449 176740.5228 164063.9072 183979.1429 291551.3743 217312.232 246069.0156 562375.2516 333901.0454 221641.2444 190205.7305 176141.3263 272992.6819 107699.0623 159966.2662 223580.4254 241023.3017 306816.339 312470.9384 192059.8373 NA 413745.5965 581183.3414 144373.992 386439.309 263446.591 525871.6212 303196.515 295063.2077 407881.8699 166412.6367 201395.8854 117096.9631 222092.7713 354742.9517 402943.7808 335787.6392 476970.4635 365187.8964 112529.1125 131795.1159 155630.0501 156338.6145 170245.7717 167073.7349 193947.0886 697052.0762 404612.7431 359775.2457 470452.0303 126205.0912 327439.7046 326055.1905 217034.1602 145211.2448 209259.692 149825.2315 280655.5224 149931.6979 240978.9034 313516.7569 142397.6505 394380.6365 297536.0114 187437.7804 170293.5776 235683.5387 177442.3013 344153.2826 439845.7176 241925.7584 234627.4331 115537.3125 135568.7472 131834.1444 178939.1902 179811.0388 149213.795 367363.4082 NA 336725.2998 227262.7993 NA 395839.3509 114756.5195 161243.1693 135111.4251 399907.3095 112903.329 228668.1761 176614.547 146030.3101 200597.0986 294358.3761 196934.3923 366698.447 N-Acetylglutamic acid NA NA NA NA NA NA 6115.836894 15151.28095 10282.17483 18857.80886 8288.904688 15178.55374 10010.49256 9147.168572 7511.115258 6383.809229 4552.001747 8190.476416 8821.93642 6762.651143 7001.185568 NA NA NA 7069.760445 NA NA NA NA 12834.31684 NA 5047.489274 4241.347452 NA 20084.34258 11234.29879 4425.388891 5735.768639 4137.817104 14200.37421 11856.92424 NA 18216.4396 22653.58072 33843.4613 11493.23484 22802.28834 6495.156092 NA NA NA NA 9246.097272 NA NA 2795.924818 NA NA 16702.71472 33318.20702 17728.95478 NA 4689.918503 16472.88793 8982.42183 NA NA NA 6117.518464 NA NA NA 5888.494464 5220.809979 NA 16706.92139 14111.72783 NA 6183.118091 17986.98875 5804.511713 NA 2071.247326 NA 7094.341743 NA 21140.77317 20641.03721 1572.382328 5091.349858 14060.5342 NA NA NA 2614.240873 NA 8487.941846 9239.381663 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8460.37298 NA NA NA NA NA NA NA 2875.102698 NA 3370.748553 NA 10344.78853 4066.373023 5838.015297 17785.67093 NA NA 12711.60327 NA NA NA NA NA 11055.87263 11076.82252 27066.56694 19473.70908 8893.805338 NA 10390.25987 2196.297785 11617.11435 NA 10108.60759 3354.641175 11710.32375 28157.4577 9713.411532 NA 7825.630259 1406.706275 5179.304621 7006.293162 NA 5801.218001 15306.40782 NA NA 6845.716277 8174.801681 NA 12050.36016 4352.781559 6306.383905 NA NA 9513.79622 9864.972569 8439.014086 NA NA NA NA 5370.884136 9986.030095 5137.405218 9498.904936 4466.841047 NA 9167.608892 4717.02096 4880.005573 11209.78459 7126.853184 N-Acetylserine NA NA NA NA NA NA 25638.59521 27507.85731 28648.46901 29363.11122 25415.25277 21862.36839 14887.71985 15724.23329 18764.368 18297.24515 19201.62396 23571.95425 18781.43516 19639.08109 16025.51834 18217.84945 17799.79509 18066.77317 18503.49182 28420.31517 20474.89315 13466.58271 21633.58357 23223.47907 13700.79972 25676.0277 12251.22926 22563.07884 30301.2254 29368.2161 14008.52639 34165.68135 19197.51402 47763.80053 21813.27235 11748.13216 25467.16515 28044.37942 30541.30552 11042.58818 20439.46169 21900.04934 13149.59565 3525.046155 5936.74567 4375.367272 10065.02102 1522.952911 2802.869701 10997.25071 2401.634961 8932.666791 28693.94131 33573.62359 18574.12053 4731.66769 4985.401391 12072.69288 15284.46907 5198.650004 7285.696829 5139.084059 10025.2268 5937.108955 2737.114821 5236.978191 11946.3803 16893.87219 10521.97568 21769.51232 16094.91235 13573.70254 10088.00846 19301.14318 92733.29679 19664.06303 9869.605211 13115.68392 12569.93738 13754.59737 12326.669 31542.9353 10768.48695 14094.5991 14311.41351 13518.69286 5789.157804 3513.554713 7365.884404 13606.06388 8437.953337 10927.78634 4690.858056 1021.974473 3507.645895 5198.826366 1819.005683 3699.905547 4663.428889 2630.168818 4210.633488 1501.02166 2502.808146 816.6695025 2087.377805 3508.764545 2309.95291 5056.211154 4807.386325 1046.894195 4129.573563 4327.780975 1202.449188 9170.330658 6444.559749 14230.86744 20838.85423 4280.299774 15554.67524 11291.94117 18880.48052 14159.01052 16931.00048 4833.9659 8833.484477 5932.191127 8213.812008 8338.873073 2494.295349 7257.34444 14583.33141 17488.30067 9917.33327 12180.27207 13232.57678 7035.75236 21073.5877 11692.35136 17779.34499 8768.719233 17143.90069 11502.13011 19985.45252 30425.75079 11992.17581 9158.078623 14527.56754 12085.36415 11526.22593 12579.90359 5209.378435 5258.861752 14171.48684 11283.1966 13682.91453 6410.645805 15802.45886 5994.047905 13557.98169 12555.62209 8615.007624 14231.06488 14680.04176 9235.766816 11463.25025 15360.04429 6488.281566 12184.54556 14186.70756 14773.39448 20821.40632 27164.11479 16242.56268 18676.02697 6321.975111 6546.007066 12286.15693 10667.92046 9899.435562 14334.54165 13105.4431 Taurodeoxycholic acid NA NA NA NA NA NA 48349.38861 44472.60281 39317.8556 39190.3626 37582.33384 39298.82259 43760.64766 37326.02441 37827.78938 39316.41985 37399.82436 37209.06745 36232.58894 35765.16133 69121.01659 38147.80377 37111.88576 36456.57032 33464.2579 24804.98359 NA NA 29003.16763 100401.304 24728.9525 16944.86749 6776.039286 NA 23263.74024 17783.16868 13216.80668 12177.80097 12698.12644 29760.26625 57201.20812 16658.76396 23300.19749 53777.82541 177106.0902 29362.02636 18659.27434 26786.64748 6056.521455 23698.76748 170249.2395 40528.69998 94281.97138 18823.61765 24212.92417 NA NA NA 37701.80616 28749.0472 199485.2603 34491.70005 29677.1357 129575.2408 177673.211 23806.83853 34967.46018 NA 11209.81646 NA 22375.95696 42548.29038 144838.9975 37707.04081 26960.02579 99581.87913 59233.83162 24690.39477 19529.87943 90334.27596 21058.97199 25614.44066 11238.66009 NA 24356.79773 21538.54559 16495.94586 54681.11607 18995.72744 27358.07493 95357.70798 NA 9306.228719 NA 21513.68246 NA NA 14596.02584 NA NA 41370.58855 158828.921 16232.7351 21422.74787 60438.84696 16416.89203 132785.0524 21397.93946 24695.98639 15489.49186 NA 24386.54166 24769.2182 35047.77511 98073.28179 28859.301 211791.5838 38766.59613 NA NA 12345.01091 17782.61206 25623.29456 83306.38126 34553.75386 12858.18052 15326.63182 NA 13373.12968 89255.44948 36122.78755 132963.7404 31760.78329 12260.2956 NA NA 22793.60347 NA 11279.20934 19029.86824 21495.31865 23387.4438 24661.12186 12012.75367 24842.13683 24726.17282 91116.69035 25451.72497 12863.96806 34874.99471 12844.2316 15840.60604 50863.31927 19166.68693 43603.0307 14330.47451 NA 12060.25427 31149.74784 14898.59203 27500.15871 24759.40537 96898.64909 NA 41616.66771 17141.18672 11087.73011 20154.95965 61884.2238 12339.41202 18868.81217 60482.29659 26461.93683 87416.65743 29857.79164 22101.4543 35517.16087 158000.4879 52003.61463 170011.1069 38944.97157 NA 13161.77037 NA 20311.3569 72860.22784 19330.35091 4-Pyridoxic acid NA NA NA NA NA NA 37758.82997 40715.96619 39519.62533 41346.28163 33227.83315 38343.96987 32721.7793 36075.28835 32154.91319 33072.48506 33021.06466 34887.11451 31182.6573 31278.05302 24496.5678 33718.2765 34394.9405 33269.71839 33682.29173 76842.49791 NA NA 27919.40713 242778.7724 24166.39641 97728.03149 8096.169485 11941.23488 140989.363 10604.6978 NA 11267.86478 NA 77462.8347 150952.7034 11289.09684 NA NA 90408.91009 NA NA 62831.20779 11037.73835 9224.922099 90366.22319 14190.05924 47326.85724 NA 2871.607145 NA NA NA 5976.920356 NA 33858.82814 6747.993734 NA NA NA 8139.209246 8403.699995 4418.50911 43504.69521 NA NA 4717.768171 30196.51046 12798.69283 NA 39688.20518 NA NA NA 350665.6864 29834.87279 40862.38604 5467.849862 NA 43482.7418 15200.72618 10465.69184 150648.6563 10251.1006 13169.19659 97280.05103 6681.109975 29072.42304 3671.016331 50589.85361 8932.263971 NA 57472.96618 3778.396554 NA 7293.391043 48057.53677 4103.737059 3634.223087 21466.9228 2777.234586 88132.59535 NA NA 6768.002221 6758.500341 47429.45822 5102.698598 NA NA 5400.255317 66408.46836 8436.008839 11799.69862 11285.12417 101579.0212 92045.69331 102481.4479 441724.0802 54143.76657 NA 8139.99075 8944.293961 11875.36242 46686.89605 NA 32847.25032 8236.440049 18215.61591 3085.150421 3997.897944 96407.44959 8845.291737 8979.259693 NA NA 82091.81779 35792.08394 11180.80966 NA 11181.97613 410360.3168 13467.75949 131148.4268 1194746.205 108030.6864 9971.37478 78465.93882 11057.17654 104878.3982 16370.08279 9438.846627 12322.86962 128374.9292 12888.25519 6213.241235 NA 38062.61103 3856.407784 69217.34944 10835.65032 NA NA 58204.01361 NA NA 94423.37283 14645.20028 146463.1383 21320.03472 NA NA 46908.28752 91602.4671 489423.0496 58749.40767 9758.168028 98113.12972 19938.54261 18488.8358 175545.9562 23881.29347 Xanthurenic acid NA NA NA NA NA NA 15899.40985 15247.79802 14279.38812 17279.40513 14201.28487 13303.93986 11418.8891 11351.10962 10503.35766 10587.02572 10246.84246 11843.49789 12558.66757 11051.3778 9087.733467 10343.22078 10425.37173 11038.33991 10461.58323 39649.60595 6956.100032 4556.941763 7633.898447 74052.7516 4211.951506 17001.26615 NA NA 97407.79786 7275.630971 4842.562734 4166.457987 4491.83525 45622.15128 108176.6137 5655.185923 11261.00342 7365.219416 76171.63489 NA 12528.8431 125599.5167 5725.989694 NA 29505.80982 3462.107496 31289.28557 NA NA 25316.83007 NA 3870.866381 NA NA 13634.92961 NA NA 31644.32106 87763.85835 3965.732546 4691.438292 NA 19838.77934 NA NA NA 21989.23478 4373.563422 3727.886431 47942.23304 184712.0891 19700.11092 15711.86017 149622.1515 7662.274638 15791.91025 NA NA 22494.29894 6062.780697 4181.659766 89713.16111 NA NA 24202.50308 NA 11285.63567 NA 34033.78428 5199.863517 3997.356778 22438.14461 NA NA 2366.548934 23975.90593 NA NA 4428.779489 NA 69399.26293 3827.675451 5626.079045 NA NA 8959.406196 2470.228662 8619.762829 55341.67527 NA 21530.74422 NA NA NA 23285.47861 7624.456212 7864.34262 22179.92978 28597.50501 NA NA 3556.999622 4977.161221 5264.153012 5002.137947 15889.33223 4397.587801 5762.252761 NA NA 50918.58424 3356.258722 NA 6909.047756 5812.53389 20918.50303 24756.71207 5047.206535 79795.59698 4106.758467 97979.49646 5786.070506 6893.265248 86100.68988 5542.186786 NA 32608.8614 NA 44876.96968 4556.693544 2973.138445 4726.436295 84699.39803 6001.121189 NA NA 10578.92327 NA 46126.66883 6119.082357 NA 6414.78055 35243.09578 NA 6149.545352 71079.9355 5588.149634 69794.0508 8955.151764 NA 3565.291184 18283.75764 6258.111499 45728.92781 2944.084402 1778.346868 46875.89234 5507.807595 5678.302872 69549.94934 7761.683625 N-Acetylaspartic acid 72306.17552 40219.69898 46721.07375 21067.67212 22586.15419 29159.93661 21236.39039 20711.00633 24317.85685 25960.64968 23322.46594 23265.31555 14773.1021 14567.03447 17145.4602 16004.72197 17526.02227 18270.47322 18330.63961 14164.10726 15510.63216 13246.13777 14937.4683 15443.11001 13160.37898 18831.92425 21396.06549 15649.40689 37619.64029 20424.35963 19810.44655 24010.79938 18921.20536 30468.98394 17451.71486 37070.94254 14617.62496 41394.50936 20178.18625 18006.64923 13237.13799 15704.06944 46816.5176 34384.81578 18518.46464 21004.05024 42826.79379 19290.18753 19723.08501 2345.944719 3289.284676 3391.102538 6484.05444 1332.186844 3046.708405 9153.499718 3082.73506 11210.50973 7157.63986 9760.377982 1607.38767 3739.348427 6351.158787 7627.246048 7047.221852 5250.297572 7861.718102 3435.303231 10172.59836 5847.73258 1149.198726 3700.653717 7628.366148 22442.95464 13916.42994 9850.191871 16083.33145 18442.22884 12065.57074 6480.908308 13494.14891 18373.0514 14359.72244 20396.69286 8961.453551 12540.15624 10237.29957 14198.67268 8822.561385 16527.42627 7832.645584 11620.30004 3815.761756 4217.20848 6187.010978 16261.11865 9412.555766 10419.70476 3935.593341 346.1414879 3566.433608 5080.871319 1608.67926 4957.824206 2343.856772 1598.611201 2337.789419 252.4865814 782.8057768 769.3498358 2084.422097 2598.94577 2022.671651 7300.680133 5817.153779 1187.443693 1224.964594 3992.324721 2123.200536 10321.03176 4946.51244 16215.36053 17053.52487 NA 13939.40179 11865.22784 27729.21482 17868.51885 23614.41484 2374.544676 10820.79685 1728.640597 9171.745431 6260.096556 1747.638165 12018.59283 9295.634028 21554.50436 12047.89398 17599.48884 23478.3303 4030.78231 16366.33861 18130.54098 14539.60192 11833.9353 10228.64035 16573.14247 20167.59862 12864.30207 9704.804774 6834.09442 10873.44896 13171.41844 7317.42672 17308.58642 7679.824301 6501.049646 12793.75223 18861.10317 15331.10953 6729.446393 10249.07642 7091.805479 7283.267642 10275.71935 9737.41551 10650.91732 5067.717603 12675.44248 20219.30136 9322.959527 12758.03155 9684.140047 19456.77289 18546.0407 23541.74949 10015.30824 18189.28863 10184.1835 6807.39096 8657.298012 10197.53916 10598.29594 7281.098664 7365.116178 17833.71664 Ureidopropionic acid 155238.9197 190026.4972 25991.12318 25450.43512 35193.09993 NA 44746.77988 38720.71368 41323.79334 45726.33764 41631.58174 36120.65485 25314.4168 23172.71394 31002.05479 30842.76057 25837.72373 30974.04935 27682.32379 27109.76832 27385.51712 24122.21725 30327.66739 27816.4834 26493.84401 74750.75596 28645.71001 25422.79155 25521.70727 72437.12612 22114.57439 46851.25846 19793.10032 28325.38662 64012.99354 31087.5124 19591.52459 21761.56306 15396.15472 52769.68574 42451.25414 17185.78626 23693.31351 17958.69691 43074.86935 14927.08921 19119.20792 65067.78269 23159.5209 3388.062451 12183.95015 4837.497508 15274.48735 NA 3906.358627 24407.00026 5899.561576 24374.0946 10549.04564 NA 6333.606437 4791.286709 7715.625647 12640.47481 33108.7621 5568.096253 7388.560756 5473.196938 25744.01931 NA 4504.724945 8334.83066 28363.78291 14507.32673 NA 31855.53342 37017.36464 19107.60213 17374.34106 22398.202 NA 8985.314092 12766.50579 11556.99913 27890.00879 9114.214285 11476.56115 28561.15654 14023.65042 11931.58197 28425.13869 11951.01347 10074.60519 3758.260873 20533.48582 17095.53869 10980.99703 34518.97133 5990.935957 NA 4010.056406 16648.25275 7393.638825 6074.000498 12194.32551 NA 4078.012465 NA NA NA 5161.946055 13804.29834 11278.17603 16429.54652 38595.68963 NA 8104.437082 4642.071323 6710.379571 27827.89399 18824.21104 29299.82001 31780.39403 10828.57449 34324.83215 15245.52701 21752.17083 NA 17843.8915 7442.309504 13539.70832 8536.787754 8838.58605 8060.720893 2788.155431 NA 32702.72741 19076.88859 NA NA 12440.5543 12604.45526 22272.03507 NA 33561.15514 17486.47608 73478.75804 14457.96035 42358.68966 91067.02136 21188.81188 14453.93715 30401.70704 14681.12378 18844.25614 8459.588017 NA 11987.08478 54096.88936 24386.88304 23142.43115 16401.99164 64607.94325 NA 14894.05254 9117.463495 14274.63003 18318.84067 36971.95214 13897.1776 10418.93179 26488.66256 31883.27296 77873.15708 32964.16078 NA 28506.05422 59336.91241 27513.72284 43853.21172 16272.69294 8486.917109 24685.96925 11763.1407 14960.05203 41757.45259 22492.36048 Riboflavin NA NA NA NA NA NA 14728.41659 12172.08675 12513.60338 8470.919816 6609.08399 10873.21732 9171.106116 9854.247954 7878.156219 9366.613802 10985.51375 10002.16519 11191.28461 10667.45289 8683.289932 8577.291427 11010.64765 10030.17639 8669.42069 8580.683593 NA NA 17362.3836 53021.65428 7919.818845 22189.96108 NA 4376.422736 18578.18047 6856.187904 NA NA NA 12993.83029 8172.544072 NA 4377.327311 3881.337643 10947.36747 NA 10403.21891 41486.61592 6625.716004 NA 27409.85442 5018.071931 6257.492552 NA NA 32744.4443 8596.005956 6061.854189 3170.068973 2209.350346 18695.98362 5705.899561 5914.616133 31376.9273 8911.113869 NA NA 4712.799551 19095.51937 NA NA NA NA 4495.207613 NA 6060.640773 11733.81885 2068.721898 NA 9100.265093 NA NA NA NA 9602.579566 3265.652744 NA 10775.23729 NA NA 12574.81201 NA 6768.670036 NA 15789.91961 NA NA 14964.7296 NA NA 3899.306698 24467.46304 NA NA 5504.758101 NA 3866.960354 NA NA 3023.298345 NA 13739.43783 3836.956622 7413.963759 15791.60576 NA 14629.46879 NA 3114.707087 NA 8149.016835 6432.460175 14513.44186 72066.43283 13189.37181 NA 4915.743374 NA 11323.81684 30986.64001 NA 4102.464901 NA 80546.65556 11023.46535 8986.5068 33894.41531 10119.50374 6393.727169 NA NA 15680.6742 5712.595199 NA 10332.01578 NA 26678.23474 5826.887605 5597.849259 42867.35505 4467.548503 NA 6789.874734 NA 5202.350738 NA NA NA 11399.9337 NA NA NA 8036.779915 NA 7957.626369 NA NA 9118.188915 20409.78865 NA NA 6097.590537 10940.09059 38483.40241 14804.6353 NA NA 2980.971608 6123.563669 14603.32471 4440.336057 15348.03194 128806.1479 58067.28591 14677.18538 29404.60597 17567.07699 Xanthine 9086.648197 11653.01993 5195.134148 3213.913187 5463.908596 5278.279347 236231.4347 230730.0254 231985.8139 224665.0682 208309.4967 180189.8136 176271.2581 173438.289 176959.8878 178227.3798 178213.6187 191603.4343 174970.7142 168217.4677 168865.6398 175940.8383 165271.5943 161364.7869 161491.8526 185487.6457 130417.8828 130464.8076 430222.0055 593894.046 401006.9001 320944.3545 233100.6131 288647.7531 255021.7384 193818.9157 163800.3224 127220.3643 109527.7109 267329.7743 138957.3883 84809.88582 125020.5319 88568.72027 107723.0404 45722.42741 184818.734 251673.0611 107762.0241 129003.1409 196020.1598 150368.0148 83737.81703 36661.12824 35262.50578 764750.3323 462306.759 606160.0707 73590.46424 83506.15635 113988.0463 51855.7718 63834.69726 97912.35645 83344.70741 36742.46151 35852.1896 68113.33358 125765.9732 77485.92411 72016.75603 98841.15082 174591.9325 223355.0836 200800.696 302665.1068 109761.7175 62713.37706 74117.36058 241243.7445 193596.2813 113348.6851 152482.2233 188576.6181 315475.5014 206142.0083 209297.0854 403216.175 90153.16286 107857.97 119970.4603 130334.7737 146552.5756 76926.24002 167846.2274 131241.7921 105817.2971 149543.5047 51358.8115 46064.71927 55695.45016 88053.27626 48346.18151 95857.76099 129708.2254 81454.82562 155091.4008 85907.15275 103193.673 45423.2678 45876.44699 108878.8371 78741.03116 114236.4788 130585.5244 141473.2869 173759.1414 157332.6814 45672.32951 88651.76329 267280.4179 41391.17371 46320.37461 33170.36568 171397.7384 107383.3952 124210.054 171998.9343 209335.9827 130814.4189 53878.73395 56998.52485 50271.45078 111998.5457 69248.05994 93295.70937 96049.76548 64504.59435 43485.90042 96601.36777 77733.77567 62090.88951 114584.1073 86121.45983 116714.2592 53901.34232 1064594.951 67299.07213 82433.03844 143890.7611 67817.40404 49815.25576 77511.03387 51999.36704 172540.0261 99171.25507 78107.02918 71306.89119 193854.5558 96626.14288 478883.1815 346026.9026 707969.0559 43757.87835 94218.01528 64738.68294 85061.02769 113996.9796 145901.819 219396.9308 221903.6117 458557.8349 108477.6714 165716.1464 123782.2744 93075.41153 108524.409 198574.314 76993.03547 89074.99211 55302.31681 54541.30243 103554.9413 66059.13133 143170.4236 241521.7109 128451.5161 N-Acetylasparagine NA NA NA NA NA NA 671849.2829 648889.2474 591807.2899 622826.9306 551091.2287 515916.455 433612.5451 424401.8754 449876.6523 436176.7292 451487.5714 475937.67 443543.2258 430054.8557 441023.3955 428923.1246 418281.3301 434397.0938 431763.6235 241239.0634 318488.5505 861316.5076 161179.2067 224151.3299 373669.9956 2046210.217 489569.2725 231596.4161 288624.9472 185966.1643 396830.7495 431939.2246 470694.521 3641592.473 537054.6823 570924.025 219499.742 467346.1651 653009.9888 2063829.542 199745.9547 807695.1677 1029383.518 60940.96432 162839.7337 56707.81191 177571.4486 35219.93406 79800.55061 589259.2913 14472.96352 177631.1257 326926.9495 343563.8092 38554.80015 105388.7391 173508.6806 131011.3282 189821.3367 334021.7579 159599.9708 173835.4097 384791.822 508875.3857 199332.142 80116.10122 237604.7947 133485.2765 413638.5171 412020.4698 140084.2763 100187.1503 156624.7049 375180.5916 131931.1795 394843.0944 551780.6454 415240.2673 181589.3106 184676.6503 326510.0158 323097.2315 343767.4072 303192.2819 200073.8209 330556.5392 61319.02183 255049.3289 182354.1191 440204.4534 226193.0055 313256.627 74695.06982 21674.51236 79714.44357 161291.5832 68669.41062 115420.3396 212889.51 229202.9314 46111.63662 8475.104909 8281.312531 14243.92972 84082.0473 77642.49781 291443.4559 81131.70665 123539.7337 8061.478894 22289.29423 17674.77621 20931.89453 287462.205 84886.65052 1392951.862 314215.8595 76339.59723 232995.7082 318027.0805 3180921.277 418264.1693 220309.4603 38231.81365 226005.7869 41170.07205 244572.901 464686.2496 33206.76573 549113.7077 121345.3716 115054.3911 306231.3302 294333.265 87323.17751 1181808.943 700967.8412 970025.1413 1091609.097 390988.0665 178227.6714 583052.3314 285753.9397 399860.7466 235690.1304 211473.8732 234121.0387 164399.4324 132330.1839 453966.0895 322439.3272 179999.1227 334715.2487 257539.5473 408136.3919 287108.4868 237577.2872 413136.4428 206957.1211 500242.5864 739171.5895 437302.9297 18707.13952 265748.0313 437132.8379 194058.725 280317.659 484811.6569 303775.3251 555666.6361 679316.8773 110462.3801 259968.2409 744828.1754 321989.94 291639.2439 591877.1219 345113.9954 232592.0663 93837.3953 486730.6882 Uridine 28543.2008 7666.364693 NA 10965.31643 5685.029552 5251.41716 70582.51751 72553.25862 64031.47364 60386.42251 60141.48729 53378.20465 51578.21819 51542.22388 54610.54722 54175.97118 47475.25984 52907.01449 48088.63617 50357.26749 50085.54004 45200.3303 49109.47614 45040.85019 48245.05231 78710.80297 51099.87556 47959.48545 72931.31995 97303.50196 70018.5729 83433.03766 55212.6957 70049.39107 83135.3309 66435.42885 47085.35889 71267.30085 58919.6135 75501.95441 80579.69404 54193.29416 75456.77603 29552.68666 33874.86976 21322.59253 60155.53983 116645.6951 66349.45207 36006.68302 59891.68521 35858.06456 39593.1635 13723.09535 16098.61527 72247.32296 42353.36494 51723.28117 44492.18496 40708.42884 63374.41522 20541.13756 21559.34603 37732.9389 56517.01227 27372.37401 30410.59811 32799.32735 52002.16858 23758.31473 16913.15923 21107.85611 31478.70792 62506.25164 52123.63518 67612.59269 65759.53065 46581.88349 39107.46652 24738.60255 18339.37828 19054.50049 43321.38685 55696.75083 65074.33749 51916.24531 47056.62556 101854.7773 25996.88571 33484.61138 35889.74235 42495.97491 52881.48279 27021.96167 27045.66106 27108.53321 16563.95811 78558.26089 32842.6644 23700.26567 21664.75944 30964.08396 16147.20071 27108.46926 33141.98765 25133.97386 28883.87576 17267.10974 20421.90534 32457.95423 27244.61615 44668.96764 24900.79244 42257.49488 40619.56222 19561.96971 32063.01276 24518.01033 55218.67244 65104.57629 73170.98973 32690.47799 40180.02838 35898.1885 76116.00799 38623.36452 69299.57153 40369.48928 60307.47632 29730.01411 19097.38227 21351.55273 19827.07634 36954.48368 21788.80856 28988.65703 57051.17451 37736.90084 32275.69341 37754.78383 37810.37713 33934.65679 88253.5767 50935.82607 82317.75395 28584.15514 67785.68135 33725.57839 46253.53827 71084.99879 32293.94986 31797.61727 38675.0928 31356.10728 40243.02504 29102.33151 20537.85865 39609.26608 88857.80363 57591.41374 42877.48215 33044.81502 68294.65317 17274.03477 26812.96367 26524.5911 21380.65669 35622.80323 43303.21112 21784.16945 24643.13545 50850.64435 45343.87252 74399.79987 54399.2849 36625.46657 45154.0649 57715.4415 41489.72859 51540.37278 31894.28047 34937.8284 59592.36383 47615.49551 33539.37716 43853.50064 35671.20205 2-Deoxyinosine NA NA NA NA NA NA 25858.01424 20140.20801 22382.26966 23251.21842 21392.11363 21520.12791 20071.87963 16873.17444 19057.40259 20612.25371 21559.38344 21688.23678 14093.8621 19077.45512 20818.92502 18045.01367 19471.41182 18636.29113 15137.17628 3674.001066 5265.494504 10008.37219 37551.66552 75931.51953 39669.97917 50290.18973 27354.28191 25383.32868 27859.80087 19087.36451 20440.93491 7460.474307 8338.393 3518.940978 4558.839982 13960.96475 11117.89737 8019.871359 8285.93034 6830.206301 52709.70153 39273.66421 37182.63269 13592.78189 18148.97971 12093.88182 20267.01045 7387.236682 8862.933965 40938.40381 19877.66353 24021.41226 13574.18486 19706.08612 19365.62748 5198.511848 5676.633852 10138.38308 13019.87717 9143.489349 5762.228503 5577.749919 10311.60109 6243.583875 5953.571587 3190.231293 5265.207113 13859.74442 14479.87763 17118.98659 2106.38777 2627.941294 3308.816465 13444.80658 13952.19435 8178.82771 13146.32797 12593.03155 13923.89746 44709.38773 45830.28497 119562.6753 6879.88602 6085.3563 6532.957193 7929.411911 5550.8323 5582.372594 4077.749851 7037.563781 7837.716836 2010.407933 1428.482722 2837.826757 7742.000736 14385.34366 10486.83542 5314.061112 4948.95974 5254.771518 21517.41572 9873.355247 12162.43473 1444.746381 895.615916 5511.8528 13511.93367 15530.8576 23950.6575 9502.124833 14747.35792 6607.702086 4218.085093 7773.189799 2668.068586 4787.375083 4420.048409 747.0487841 9887.501775 11084.41531 9078.090321 19658.99346 19679.7198 14597.52957 6204.945296 4982.004269 5134.310241 24258.80352 8658.712652 16913.35131 815.0456295 2800.88135 4018.333803 27399.23101 16514.78507 4001.545488 6689.327892 12103.54568 8058.795949 13001.60656 37810.60322 15306.7663 5087.602933 3583.499007 15286.86196 3404.401863 2529.379566 3537.834124 3537.850251 4572.4862 6042.831682 4819.430476 1772.115399 2199.212828 18814.52986 20479.80342 35684.47675 10547.23291 10328.50632 6735.17794 11194.86876 5780.365086 7071.843845 35453.83599 40209.39738 101169.3572 19936.88573 34950.50606 24222.0283 9385.441185 7028.623237 8025.94373 12711.33048 18907.87572 13191.41797 8338.52969 7891.442013 4397.488094 8358.881583 7782.034548 8844.503102 Glucuronolactone NA NA NA NA NA NA 34462.87752 32049.12096 36295.05849 27282.34294 34172.99657 32915.53651 34876.38306 34813.42099 32952.13678 37246.81838 35363.64535 38360.11297 36404.60499 40326.62527 40953.31842 41660.73002 41906.94203 47361.54969 38999.74137 54908.67829 20211.76431 22127.39967 29120.29877 94808.76946 45017.11275 112302.2881 40900.91144 35212.85645 75059.87097 21782.68688 37670.70517 7597.501667 7301.13958 30692.56592 82914.43654 25696.56851 19493.12089 22014.96606 64068.73701 25723.40936 21183.93126 82530.96705 24401.45574 50398.20188 102211.3422 40669.64064 73628.1951 30287.73561 25267.72051 90836.7403 39229.58296 53485.96241 22007.75513 27784.89677 83432.80971 29659.58851 31131.93668 70130.61933 85385.4836 24869.44098 16950.64428 22143.98551 81815.76789 26413.14226 51635.42365 30215.02372 86446.54388 30046.32078 38538.87779 85260.66245 46976.46066 8975.228026 9738.739599 76656.10629 16545.4728 25124.55324 25253.39762 26650.47701 77912.07063 35867.43676 56427.32426 75103.8598 30288.87951 21526.8268 70347.2961 22667.27593 66771.71861 32912.57218 95979.10872 22001.2374 29168.20153 43579.88273 6096.039902 20063.33939 30726.59482 122674.8443 33723.9333 32500.7021 85568.82133 44453.40441 137507.0904 51642.48432 47241.83964 10952.17609 7576.706236 36699.03299 50187.38354 35801.80635 118796.4721 55690.49857 114196.3403 47012.26685 9305.514816 13099.54656 89330.86147 6593.528454 NA 13675.11503 95158.7617 34870.45734 27383.92232 45020.41779 35273.9949 110955.2344 31909.72381 102501.608 24282.66465 78153.34959 44086.90405 38797.26316 79864.8121 9284.47872 11953.97879 31126.43597 21335.58218 70458.43516 32491.34777 30287.50316 102411.4114 31301.15085 137471.5409 21747.0219 19476.72061 86891.33173 28484.2424 11637.09904 36824.85441 6168.653478 71411.58858 21996.29401 30989.05744 27042.41701 68786.70251 16938.72168 50415.7414 73606.44671 142459.6142 31390.62682 90968.05633 24985.17101 24313.36058 29837.53649 104708.6649 41568.39964 31579.38156 101982.4727 48253.98282 108728.6359 46131.73276 26823.45696 21358.61653 105198.2062 26253.71823 84580.97808 38324.48512 24605.82871 79951.25134 27473.50333 37358.5421 92754.57532 28259.00286 Hypoxanthine 30548.99345 27912.8275 25073.7987 50395.20432 47112.33933 50239.10284 39812796.21 39435692.32 37865530.75 36225346.47 35091874.6 34552967.61 32457086.93 31850506.55 33155786.23 34327328.43 33205818.41 33937381.09 32800043.53 31974676.74 31726259.87 32640135.88 31812799.07 31229668.22 31332367.16 36295212.42 31895104.51 33251987.42 50692540.69 42437672.47 52705212.13 55268222.22 46778602.08 53699277.6 38089647.19 40272022.25 38446034.94 6725952.872 8616481.677 13411932.01 38575185.27 31631871.03 34974992.84 32658527.13 31476496.52 25558400.19 37160210.65 39258642.14 34198213.61 31358488.37 39649290.51 33874724.1 29393291.53 18451623.89 19415390.87 42549064.28 36750875.02 42188447.8 28899368.37 26746517.46 30360189.35 19563125.25 19483284.32 29709854.19 33723033.5 21803989.12 24159847.58 19193800.21 24959427.47 18940415.81 20795572.52 23283758.07 34551726.68 40640876.19 34750030.62 45134078.49 14107218.65 6701605.431 9016449.982 31910680.56 22615290.31 30112562.54 31064645.13 35877906.06 32688183.1 42343953.26 40873020.87 47038416.97 29325450.14 31127546.07 30921070.46 27119500.63 29914410.59 22297095.67 26624513.06 31596069.06 25511154.2 9671000.883 4422797.451 6885164.239 22383001.16 25398043.94 19126066.66 24656988.02 27377823.38 21878564.12 40393714.55 30173734.99 33916269.97 4042911.613 3837503.876 7327917.045 25199661.02 28419958.16 29227915.33 37570954.5 46728910 41914031.93 5668734.396 8890844.763 23694794.55 3987389.696 2406295.239 2600673.405 32623759.58 26110976.65 26715785.9 39485894.28 41845364.54 38847277.06 21624257.55 23111570.16 22516901.72 28876374.62 22434181.38 27592304.26 16482257.44 6212834.618 6689986.383 34792660.42 33355195.33 21177037.45 30750988.1 28016410.78 34092771.85 30232306.85 55245725.02 33712638.3 30250957.37 37553176.5 25243813.93 5014645.766 9177000.911 3858594.449 28811083.2 23086056.15 19015985.45 12181113.28 18981145.62 12997885.02 49031181.04 39697733.48 56233661.81 24447278.07 30314359.79 23965438.05 23428663.92 24777213.51 27391196.11 35124878.56 30965168.39 36114458.2 33654021 40058826.1 35328857.08 26481289.42 27730436.44 34346514.44 24114932.78 25556457.1 22088553.5 23337976.3 29392066.06 19759128.04 21894136.94 28494982.12 23677823.72 Succinic acid NA NA NA NA NA NA 35227.74735 38671.17205 34497.56827 34750.23278 31405.84692 35872.74709 32402.02607 29923.93338 31514.5233 28108.85681 30790.42005 33712.71205 30284.06627 30172.62507 33772.62137 27680.44821 31376.1085 31381.33729 32920.35563 38286.47143 30205.59396 30093.18543 52306.29475 52820.43986 53657.94104 55551.40225 46258.76338 57428.49674 32996.69729 39131.45189 36905.52767 2114.48317 4511.076675 NA 34190.33382 25483.60863 32218.30845 30473.59375 30651.88346 17919.81153 38227.92602 38371.59959 31486.10058 26219.89879 35352.33291 31143.58224 25917.50107 14069.22536 19583.17594 39574.72548 32974.6676 42946.95483 27307.5085 26339.956 27683.104 18350.25257 18544.17613 27574.48275 28699.08146 20782.80301 24413.55311 19778.29742 26654.14303 18890.52399 20601.77948 24211.57406 32207.13049 42448.80754 28972.40546 42701.95929 10994.14589 2774.445334 4315.586036 25313.44726 18331.79616 28178.78834 30080.2455 37978.26535 32024.46735 42134.08796 43820.65152 51842.58294 26970.49766 31764.46938 30245.9355 25617.87616 32652.66399 20776.92368 27183.31005 25213.76867 26168.79057 7886.22764 2415.459677 5946.724339 21192.42765 25011.73545 19129.54608 22319.20315 24750.20135 19905.53729 44189.99332 30511.16159 38647.13468 3060.904782 NA 5656.672554 20239.76871 28588.15648 32863.74695 39174.16445 49125.70675 45375.04663 4188.301548 4680.786519 23231.38399 NA NA 2115.699291 30288.47117 27810.83263 16760.97406 39192.55882 38056.27441 39205.80569 17871.42905 21184.0722 17844.39578 25781.906 20544.18907 25091.19502 14677.84871 4019.468021 4582.915543 31278.32659 33266.61949 14711.42588 26058.50834 25701.75482 37657.024 29950.37605 59508.4796 32931.01247 27720.27306 35783.72219 26573.58564 1859.548108 7045.228075 1374.943686 27521.40471 22463.35589 16635.36513 12486.46273 16247.59588 11129.58354 54517.20323 36994.07956 59594.76001 24177.28459 29878.13851 21985.38315 17980.15247 22602.28702 28797.78744 33617.2549 32355.79406 36558.03098 25124.84573 39638.91351 34606.12626 22468.3728 18916.4126 28664.34246 22194.47811 22219.93885 18715.02753 21179.13507 30174.78344 16517.29039 19659.22318 27130.3521 24482.40998 1-Methyluric acid 4667.021484 13694.99626 8933.168701 29422.41928 15147.78835 10998.46865 10939.98498 7059.526051 5546.586306 7810.880686 5602.281156 8740.24439 6178.791606 8078.765438 7916.603471 NA 4353.401815 4930.823908 NA 12087.87265 14703.03236 7081.390061 6371.734977 16749.19979 6559.190639 NA 4368.976239 NA 4534.447693 10364.7862 6969.953982 5115.059459 2882.816169 9807.414248 6960.415562 4858.261492 2922.197653 10276.25564 5244.055196 14546.15268 5573.106625 NA 11112.92331 7346.991887 10595.67438 5624.062795 NA NA 4802.145899 NA 2621.856124 NA 7655.594965 NA NA NA NA NA NA 8145.818694 5247.46294 NA NA 3499.462955 8842.662754 NA NA 9147.238115 3693.903272 6064.759166 4537.607973 NA NA 6274.067829 4688.779977 6070.628518 16009.24116 6049.260687 9017.334049 9084.996625 8063.226335 5617.807932 9690.338198 4560.908442 6433.491591 4545.167997 5077.472582 12213.51118 6750.811095 7086.265553 19231.40046 NA 10276.53211 4190.462292 2622.627341 4472.323983 15609.63251 8671.104633 8136.972266 4906.396848 3750.750681 9922.578614 13783.83999 3637.052419 8616.602173 5982.46024 7409.090973 NA NA 4234.286961 NA 20143.88547 5616.538849 5621.937203 4430.306469 5256.4109 6618.150062 3506.960843 NA 10210.71417 NA 12857.96926 9006.428096 13032.58378 12789.46853 6052.679687 6372.029704 5431.638417 NA 5647.442324 6867.302995 6073.007597 NA 8728.218597 8666.068618 5130.785719 7999.415903 NA NA NA NA 10987.8716 9397.652874 6814.750604 7298.941845 7080.662868 9487.286795 5086.12614 8758.302697 26488.14425 10596.40174 4398.893932 7046.668912 4104.011126 4021.385628 7513.859661 7320.343972 7282.158248 11758.82922 12740.93976 7756.7282 NA 5619.543387 5419.161376 4847.146469 12266.33221 3679.16847 7316.418378 21872.14689 5257.984902 4393.649687 7164.991829 4375.647371 8170.583329 7331.602654 15617.87425 10081.75772 3399.939342 8984.929654 NA 6722.543017 4977.657572 6009.262202 13097.29764 6347.448934 12539.93711 12110.85342 Citric acid NA NA NA NA NA NA 18105.42958 15394.75579 22365.24684 26438.46036 17324.72669 19548.81064 17253.62013 13162.2889 14100.00647 12309.16888 13431.09392 13809.19273 13926.55751 14943.93373 13842.53313 11637.92525 15949.40828 12519.08225 12572.134 16280.73821 15716.56626 11848.76381 18900.69347 20615.0311 13021.09425 22499.20914 17110.87648 20559.96431 16319.64281 18492.65535 7115.831825 24040.36468 16957.03033 22389.86135 16061.51046 8404.247719 17427.85392 20257.79329 23073.38855 9846.969978 29446.46632 23059.17356 11863.16727 NA 3833.042534 1171.959222 6654.712921 NA NA 7735.091717 NA 4627.33731 3193.800028 5782.725636 NA NA 5370.154041 7143.575033 11342.60051 NA 5358.959679 3813.348637 16011.54224 4794.134093 NA 2591.078203 11955.17112 12158.95122 12521.04045 7130.690226 17111.18953 13395.61313 10118.16724 10074.58172 5432.156697 16875.99331 9131.885018 14025.31793 13651.92754 8789.234336 7823.942278 6436.516942 6256.125176 14768.66012 15334.17112 12334.03181 2351.593281 NA 2669.269722 9075.337351 5720.551065 14554.16994 1955.746131 NA NA 5454.741925 NA 2279.078504 NA NA NA NA NA NA 2203.512273 3810.135818 NA 3548.407876 4967.720881 NA NA 1948.529141 NA 6718.444424 4051.556036 10225.88807 14107.7284 NA 15225.5163 11717.24213 16233.5905 15411.91032 17107.46033 5449.957749 10201.14801 NA 10500.55091 3882.706259 NA 10288.04107 11094.71541 14035.8132 8425.07989 5878.087505 8691.008304 6623.919179 8349.502353 9987.910586 11409.46719 8911.553768 4484.463029 12979.61381 14015.66557 10090.42373 8189.99976 8589.350849 15029.50379 11206.13827 12555.84605 16230.27061 6130.576294 6817.397756 14679.73186 15494.26775 17834.64912 9839.627519 12845.81869 1344.505919 8804.628922 8250.635747 4861.652543 14360.1839 3160.351917 6520.145061 13354.36672 4533.182327 12967.56406 9547.167292 10751.19138 7235.679116 12148.82264 10063.11022 14597.03363 12096.7832 7061.608069 11010.62829 13087.67151 11760.50497 10945.77693 8587.720575 15927.1997 Docosahexaenoyl PAF C-16 131691.4442 51150.65333 54964.19962 91913.52618 58578.04922 51106.04159 2079435.588 2083725.21 2115512.249 2227660.536 2112609.123 2113639.386 1982053.153 1893394.818 1979815.997 1907634.345 1937513.894 1929012.146 1945388.796 1916436.468 1935721.262 1975568.408 1924742.556 1820627.654 1843114.093 2724284.194 1947268.101 1468807.052 1219279.191 2873938.144 987245.4754 2606769.174 873139.5674 1794321.534 2293034.938 1297939.224 863202.8273 859750.0246 642384.2182 1586023.306 3640330.395 1307921.332 2238316.465 1789633.269 2474642.354 1127374.358 1972655.277 5352137.883 2054985.977 909246.7677 2239536.485 1475426.718 2637958.889 1229884.055 1373071.839 1720432.415 871440.6407 559049.0778 1811281.475 1111818.709 2557523.598 1760050.446 1225896.967 2146993.546 2240349.664 951224.0049 1405862.769 1813022.353 2616103.098 1339016.584 955926.5946 1389884.979 2157929.835 1253235.195 610742.6995 2293677.749 3584263.572 2306245.591 1610372.346 3276980.571 1167585.299 2189328.64 1345962.182 2101949.069 2695777.219 1380778.362 883948.5916 1854493.451 1322820.141 1921494.285 3104944.825 1896448.497 2102282.657 1378807.659 1992240.017 1451144.205 769365.8254 2573795.565 1539816.669 1237821.848 2036724.262 2715787.164 1324839.282 990870.7533 1724229.359 676199.5179 1953730.858 931781.0558 1192509.092 1775063.753 1706306.886 2738266.511 721565.4183 911991.5202 1511282.831 807547.5444 2116892.095 1249189.943 867721.6393 663120.6312 1524147.734 1575551.279 2323500.754 2648362.462 3732412.958 1592119.748 2858234.452 652072.0697 1072626.422 2194571.627 1689591.663 2612684.254 2416281.918 2429744.033 1720187.601 1379889.72 2194484.12 1304873.855 743796.7589 794065.5457 1055126.105 3380252.578 2147393.613 1068212.033 2654038.379 1003466.633 1850456.263 1316121.411 1145999.011 1782288.722 827205.2657 1188352.03 2511287.703 1658594.835 1945540.051 1527148.013 879335.4119 1313747.187 3238820.572 1718279.107 2397784.544 1277682.003 3035360.986 805796.0009 2326028.823 1753811.87 964664.5717 1667607.509 1655522.907 994532.3068 1402122.016 2231197.643 1209888.562 2556040.841 1770664.378 1222003.132 1789359.477 3089385.547 1593110.729 2417266.425 959620.3295 1379608.089 2528194.466 1974631.779 693121.1441 1676500.263 1196301.241 Eicosapentaenoyl PAF C-16 87973.93827 NA NA 71603.89003 NA NA 2654408.756 2643715.555 2647405.835 2736067.723 2606632 2563060.563 2458471.817 2356758.244 2451801.038 2408202.793 2432667.274 2317932.99 2393755.225 2428860.89 2435100.868 2428141.264 2387458.814 2232338.554 2241656.669 3089108.736 2517479.916 2162190.802 1812512.232 3349497.357 1529453.525 2931006.857 1408273.257 2375169.228 2925017.03 2004307.91 1446571.816 1209532.161 965784.5212 1887991.988 4199157.32 2132822.035 3227172.89 2136947.696 2709675.779 1625303.91 2684544.167 5063692.18 3051593.413 1480585.044 3102544.108 2401891.894 3164180.346 1892241.543 2023474.394 1760959.942 1091374.034 843532.3994 2507309.295 1793071.141 3080434.726 1766572.697 1419030.838 2043811.569 2898957.382 1678861.763 2248719.812 2377354.428 3009123.104 2070392.817 1404691.276 2052834.678 2702422.122 1496820.327 824708.0009 2365978.927 3085701.557 2324798.744 1869151.232 3555937.451 2001311.883 2763136.406 1855557.829 2346148.865 2632229.469 1815579.2 1308008.305 2120488.229 2189858.462 2671054.199 3473948.935 2228410.804 2204383.259 1852901.627 2136032.5 1844920.937 1184118.214 2798886.837 1955205.988 1621199.288 2734817.299 3171938.496 1978901.731 1404336.928 1940152.911 944126.0424 3085580.438 1581518.63 2057573.788 2866569.215 2763931.872 3911221.927 783138.3111 1069529.586 1518455.039 959373.6334 2209881.414 1477367.938 1238137.304 1029557.939 1942581.692 1957548.568 2554234.772 2680046.401 3845116.292 2219867.948 3219127.707 901177.6604 1249502.412 2564692.247 2460696.694 3251382.977 3211074.191 2932459.195 2511045.342 2274091.961 2127982.448 1518808.565 1081844.048 1439995.982 1862916.7 3573895.617 2590140.734 1714281.153 3141811.829 1471829.536 2485903.621 1845503.295 1690115.533 2185234.582 1311201.653 1678069.663 2596024.598 2058781.447 2025450.421 1655156.166 1219517.626 1934964.127 3504003.954 2335729.026 2847075.199 1871057.2 3329016.389 1311944.009 2375863.218 1966702.116 1520919.181 2093905.286 2111673.393 1665476.062 2103531.179 2653776.371 1721346.22 2855839.571 2290222.297 1581350.023 1993464.934 2843789.617 2427789.361 3323928.204 1679405.675 2198477.753 3128787.375 2493648.004 881779.4902 1623897.863 1141262.888 Arachidonoyl PAF C-16 50918.70869 NA NA 28179.01107 NA NA 1268795.418 1274646.752 1228354.663 1234693.025 1179510.137 1238632.892 1185021.348 1178083.014 1180440.33 1149051.356 1180667.131 1103604.835 1109718.298 1115342.074 1145493.028 1151810.33 1108990.055 1070418.238 1067661.775 1592791.538 1483162.831 1421081.33 1072147.356 1423014.27 972617.8157 1283185.07 863168.8894 1163682.077 1302113.508 1103114.396 956482.7906 740635.7046 679042.8054 784096.7112 1571913.561 1226274.35 1435015.065 1128174.216 1152574.365 1072695.653 1318073.466 2293182.07 1955082.161 883020.6464 1215146.559 1111843.28 1360397.972 1291287.798 1262802.08 713875.6086 689795.6321 583188.1722 1119903.882 1022739.608 1094481.167 996462.5101 1063458.35 946350.8766 1019448.381 950309.7237 1039524.099 1113953.127 1222952.704 1172806.222 837178.6262 994840.6902 1061547.926 800361.1621 552855.7172 946857.8362 1124506.006 1160589.033 1091585.923 1138762.47 963895.642 1115309.057 1038446.483 1087651.938 1032267.684 955470.3181 947342.6032 869008.698 1145623.215 1175432.967 1178293.965 1005157.286 862612.5375 1038295.057 896680.3332 1049337.842 878924.9674 1346641.608 1128042.149 1105989.368 1444025.575 1482811.704 1250687.179 740567.5544 786152.9029 653249.0927 1137147.845 906814.9167 1043497.539 1576755.622 1557238.461 1910742.481 549306.7202 707026.4998 834703.1542 706797.7872 937826.8913 973865.3805 719873.3241 664422.3221 757418.6285 1351783.492 1408063.991 1389015.225 1322939.482 1064247.708 1233091.43 685259.152 742407.8914 993151.7987 1347650.185 1207305.859 1312866.554 1142041.109 1335509.211 1309838.468 756695.2511 670671.8791 612168.4497 937875.166 1082638.468 1395424.357 1003900.599 964101.2989 1061160.818 957352.4654 668491.0847 1050336.983 938657.1303 987594.5531 864410.6546 959196.5535 1060796.888 988531.4059 694206.2803 743495.9697 716485.9934 1264345.165 1395743.877 1322322.986 1291948.567 1063772.749 1333372.897 695403.7665 722844.0667 741908.2612 930072.2139 1027633.542 1028363.311 966373.342 1120160.905 1160455.632 1039541.598 1258172.491 1164686.52 998967.5125 1061420.612 1262062.363 1164499.013 1316361.729 980014.1641 1352846.446 1475558.061 1306975.613 670447.6633 800661.9521 699760.5625 Thioetheramide-PC 1012095.884 32039.00019 22644.94778 611701.6846 29595.44885 16371.74243 37555107.68 38179282.4 36336431.74 35657338.31 34630874 35178276.02 35002478.11 34777066.1 34956924.68 34461919.92 34370528.48 31989378.18 32581292.4 33829785.49 34395685.85 34132395.93 33992993.94 32417955.88 32763478.53 48571252.04 36005286.93 33796855.18 28696230.62 54385573.8 29037109.01 51054142.34 28549129.29 37563793.55 59601589.42 38726094.3 33952294.11 30429720.59 29733290.02 52442140.99 42072112.86 24899967 27452922.76 36949072.76 50731204.54 33119936 28121022.03 40375314.34 27142051.13 30789138.28 55297568.47 37978790.69 46643495.04 27602659.69 26772138.21 53367073.44 29777526.36 28134181.33 38908848.91 34903982.93 57819199.11 39179457.19 32347307.55 49257591.06 59887847.39 36805338.52 42126792.32 36504359.71 50035415.09 33605433.52 31979589.28 39024097.08 53729431.4 29826644.38 26415262.45 55904379.15 54080933.92 35097691.85 31433479.44 54041210.9 28905576.45 35651281.23 32063697.51 36015187.34 52371205.01 31166067.31 25575902.05 45291809.19 30640663.04 33891600.84 49065172.53 35084633.63 47703681.55 33129684.33 48727611.04 32235137.66 27599880.87 46810919.64 37852912.31 35515171.87 34350557.79 44002502.22 29117020.88 31166636.52 51834346.54 30008724.42 54633310.86 33091570.81 34610391.42 34085496.16 33378738.03 48108950.3 29239864.27 32535311.24 48902887.75 32805407.1 59281269.16 37284079.65 26072057.06 24221177.14 47881343.58 31609764.42 35204967.6 47903567.12 46665832.39 29068101.08 33139652.38 24974029.32 27848448.32 54499630.43 31536006.52 50031710.2 37779279.29 46535435.47 36072058.01 30407671.69 45654790.63 31526186.79 27502639.24 27845346.76 30647391 43187291.02 32968925.51 27005075.71 40621736.07 31408623.67 71742951.8 34759295.92 35539545.3 47793572.31 32890770.39 31467778.23 43792933.07 34762861.96 47138778.8 33031441.39 29390342.14 30794998.78 47852116.77 29475993.71 36830209.63 29102153.19 46036067.4 29995713.01 53295098.95 35471390.25 31034942.33 34644689.21 44593650.29 26618257.66 31290525.93 42152882.75 32775596.96 59323951.57 38292696.35 31692730.64 31933209.12 54654511.17 34129591.71 48996903.7 28972472.7 30097387.31 43817067.56 31839153.42 29342062.85 52213662.47 33489708.66 Methylthioadenosine NA NA NA NA NA NA 29999.04649 30003.68695 30240.36686 26481.74542 28192.40398 25957.45106 22439.26034 20634.17281 24035.64918 25391.35664 23950.69309 22222.33303 24154.18318 22459.16761 25702.64365 23667.78899 20478.6905 21079.01055 21442.83343 6425.770985 16278.87602 15853.28165 70918.94944 6425.918348 50337.56587 7806.451649 69708.57551 58577.6867 8360.125376 39217.27689 21574.49619 42413.87327 19958.93706 6680.03751 9509.457188 21000.19523 44070.79603 38402.33471 14156.13181 17948.83154 34737.88857 3987.978753 32934.08895 24588.34087 3924.64597 15915.52957 4973.384798 20417.39328 42626.13932 4244.278213 25704.18786 23652.61824 43871.90081 37511.57749 2547.488504 22425.80916 10800.35425 4811.906148 10423.38681 25882.32198 29554.67925 27858.36114 6120.222003 17065.47482 6845.310905 21059.21832 NA 55869.20894 47625.24375 9149.552725 4384.091388 15369.28657 12506.97488 10931.11841 25660.98187 36763.5781 16316.51792 17226.52608 5200.637519 42055.06546 50913.3899 10513.48766 20071.62551 19494.32833 6534.488209 22058.2821 NA 12645.71865 4598.886373 20878.2056 22127.3174 4091.762561 15153.04651 10441.10869 20649.4708 3345.352579 18940.80406 24451.52303 2926.30469 28555.07527 NA 52613.03182 12779.3591 11798.7908 6493.221089 2660.208856 18983.54032 30962.98641 2687.408289 27540.35683 2239.674726 24501.52692 20811.43221 16280.34419 NA 18761.40881 13832.75497 NA 7220.622035 10776.59402 37104.49825 28752.35039 34719.41926 1734.47696 9916.494806 1670.445011 12006.28637 2803.151683 9839.637874 18182.09528 4815.825106 16781.17716 7968.826591 55889.7423 29175.83401 5035.959917 22764.44424 13057.88482 8385.6287 28336.97723 1985.83017 27047.31656 15211.87684 NA 17952.79483 15085.41119 5389.35689 13958.7673 3605.195487 17239.00765 12225.34753 14240.3918 4332.110034 12433.48093 42853.87358 26534.44224 3923.071956 12077.73449 6596.04497 12004.78305 20559.82852 14113.95014 7146.67663 32814.65532 62855.63527 4411.997591 32695.26965 4744.87014 29515.40968 14324.97702 18703.59569 7210.864336 22662.87971 5285.420575 27843.0836 14202.13698 4202.294444 15954.23482 8384.309581 6178.961474 19707.65439 Inosine 7212.435577 NA 7572.901849 NA NA 4341.792998 4616791.63 4340631.258 4285719.266 4245841.393 3859832.306 3690283.917 3277988.244 3098588.652 3297778.747 3441106.363 3284136.884 3514422.79 3310466.893 3112498.868 3221888.55 3150813.731 3170540.966 3037755.484 2989144.578 2182045.04 1022439.138 956020.2143 5085124.394 12460737.31 3608146.333 10798466.05 3602068.437 6468446.585 10219315.15 5404749.866 2740394.441 15873.17062 26417.52851 37765.49889 3011774.28 773659.5105 1543034.819 2822430.603 6113689.454 808402.2326 5995315.865 4011466.597 3687614.759 832750.1798 4761243.449 1614854.373 4815698.61 576733.2275 802511.8279 9919932.394 2584823.735 4314636.649 1377959.872 1190036.296 2272398.075 516563.5155 457017.0675 2935532.02 4277113.532 584668.4758 975747.69 836626.7718 2694542.499 776123.2291 294367.047 648097.0644 2066553.885 2420648.148 2164179.157 6010939.908 53781.48559 14369.99688 24615.43843 5096569.901 935289.661 2040173.761 1744331.764 2738406.341 5205015.471 5416508.267 4966486.24 14537457.11 985166.2381 1750717.115 2812773.688 1150989.926 1614257.611 543995.4956 1622966.869 1127612.385 547379.2328 27843.01458 8767.367106 30071.45027 1353505.725 3145175.3 886757.1009 874206.2619 2268478.345 911365.287 4270260.603 1155682.458 1274451.312 4584.828447 3794.613838 26923.23173 801179.8453 1695695.27 3829959.583 515952.6254 2840360.686 714691.4767 11435.96719 42202.90258 60099.04312 14549.20333 8837.675362 2126.26797 4765365.749 1216874.595 2494711.567 2648706.935 3241582.448 3195215.4 501271.3644 1428992.795 651401.4464 4414556.728 1192855.693 2184477.134 68370.3811 26852.49316 29003.68796 1830198.231 2202880.41 992443.9829 2576871.201 1159276.191 3765885.699 1653827.119 9520401.067 2341349.417 1035222.566 1036391.02 990705.814 11999.56682 155689.4737 9073.27682 900380.7015 423315.4198 312642.8817 64738.28532 42796.03768 54107.83302 3384490.408 2299963.945 6414436.297 569701.3413 4514897.688 1173856.791 613819.977 1245361.205 2723910.124 4552642.305 7599721.969 13816041.73 2350343.725 7471138.546 3531085.893 616492.7774 1234650.279 3883670.332 1985067.285 4295442.041 823941.8824 936272.9161 3304865.071 1037986.04 1097818.286 2744718.424 1389665.203 O-Acetylcarnitine NA NA NA NA NA NA 22943346.75 21909500.09 22085088.17 21469391.03 19162688.61 18852357.01 17012963.53 16504795.86 17027244.6 17795823.07 16704874.39 18985093.96 17366686.61 16780784.5 17136683.46 17222613.89 17278515.44 16787163.01 16660822.87 29460039.62 31126327.42 35691823.37 8796132.699 18592449.44 15023082.27 43090730.35 28033932.35 8463332.609 19307203.12 749303.0838 14257370.5 7455136.096 24532648.46 22353711.6 11695048.43 8377593.154 688754.9457 7526120.589 7718661.009 15114184.29 1281660.197 25899554.08 25390071.47 4109061.821 5295612.288 725178.0598 7692029.669 2490050.275 1230926.307 10447694.19 25585.68783 7862541.013 12217587.34 17034654.95 8284892.831 7883879.291 10110934.22 13937708.61 8451885.818 5981855.467 7632662.265 12075494.58 16442949.63 18696946.08 1899859.19 192587.1143 6366443.269 101271.4568 5698260.378 7959451.205 19772398.73 961840.1155 16980421.54 12712928.9 11615775.34 5393273.486 22092604.16 27561154.67 8140362.755 7048400.218 26213813.54 16910873.61 24751197.64 21529372.55 18154691.91 16832902.63 6303206.048 9008266.671 5045057.084 8176139.847 9036153.306 10457555 630456.9316 3486446.232 9942383.633 7035088.869 8620420.183 2628562.051 4734311.732 6777825.297 6094159.208 1881933.433 270152.2099 2759307.52 8551994.873 9045715.308 2919944.399 72776.56725 3938722.751 4169180.86 6633642.463 287062.7182 214113.6145 10893877.12 7932546.039 21789054.98 23258437.53 4047310.148 15540668.5 15747983.29 4891427.949 21396690.27 1689170.723 2014768.255 11707329.7 2302356.812 9782373.224 13992214.08 5952965.441 17395687.81 11009396.01 369868.5129 9061932.354 19477739.7 1082487.734 5993165.846 7576845.251 15313697 14737534 20753789.44 14960345.32 28203275.98 21398917.74 21833415.68 17223476.13 15502689.97 12390426.89 4907312.863 10548399.38 14197960.41 10382579.86 14083144.66 12205652.71 6236368.995 7599601.22 14341275.54 24352988.35 19695221.27 8743885.66 12696769.36 25708274.95 24318389.04 21127171.38 21789258.21 7183639.726 17859463.86 16229116.03 17419619.93 2247810.731 23345027.48 28363098.18 19490488.46 2017161.086 25050137.16 15341988.15 18083908.38 20548219.59 10116716.52 5531004.103 8642869.364 909186.6339 Xanthosine NA NA NA NA NA NA 3205.346523 4173.886564 3588.259317 2491.070457 3218.214697 3119.361385 3280.415491 2901.273129 3841.849989 3488.664912 2586.535854 3160.740383 3564.608398 2074.169012 2742.239307 2412.785486 3022.76997 1857.294587 2979.106396 1628.088934 2744.112394 4734.179445 9342.21109 6918.524891 8714.092618 2751.344123 3994.666261 6027.073236 2054.111582 5554.664263 3834.024949 1443.564101 2437.076813 3044.819563 1887.911976 1599.052355 2929.580701 3546.780321 3525.71754 2150.094935 5422.660656 3180.708726 NA 2374.966975 2577.799644 3256.020335 567.7852137 NA NA 3341.290384 1695.545225 5256.288201 1203.491339 1525.653051 NA NA NA 901.4504519 528.8156409 NA 1317.046652 528.5791864 843.7951034 586.7632373 NA NA 817.2546656 5014.305998 6414.024473 3690.400714 1507.574601 965.3897995 NA 1617.556672 2739.850292 1376.842606 2077.149649 1551.97553 1794.06019 3101.622625 4856.457733 3504.967953 1240.638308 NA 945.3447635 2007.545502 453.1319729 805.1362334 NA NA NA 2781.612858 998.3980792 161.5588737 337.8657807 532.492231 NA 595.6294833 854.9919209 526.1614864 419.8056597 NA 244.0461251 136.9852989 NA 3761.324164 1318.449229 2280.454563 419.2764831 NA 495.6041778 722.6110961 NA 1204.794159 1024.306823 NA NA NA 2215.456212 1438.663838 3779.984872 2923.690041 2946.297314 675.3213282 NA 65.44218954 NA 862.5140883 287.8495845 1637.199738 1106.688455 674.4753705 505.8064071 5045.181091 1829.798102 642.6801872 3328.897747 2289.049764 1049.098331 691.1370493 2136.405908 980.1727667 6101.145353 5183.03415 4390.541026 1054.853595 2497.427146 574.1077793 1350.695698 1264.02635 NA 1171.62707 1483.602356 742.5122304 5973.715177 3328.666599 5563.821096 1088.253347 376.8285636 1301.709458 NA NA 1846.754164 10148.29493 13571.39335 6751.633878 1103.631475 925.2944434 1972.808419 925.5830329 2734.620573 1842.266702 1864.712518 1706.652766 1835.94679 NA 1178.141886 851.0048326 3399.251401 1227.807447 2195.266579 POV-PC NA NA NA NA NA NA 628486.5206 609201.9296 576279.5139 541732.245 553418.4805 557078.537 521535.0769 446265.4806 415011.3899 457548.5729 427724.2569 937558.8196 743333.9461 571920.4927 464428.7088 451871.3495 628874.2134 959460.3321 968123.1465 42795.22244 1646884.137 903958.7539 872631.9366 10647.65084 460264.9946 15210.64276 674561.5918 1061775.076 21496.64988 1502604.139 971686.9975 1630416.609 1271570.415 25884.45261 36151.67937 913218.8267 1477137.919 1481909.346 19832.58987 1488988.974 1724554.606 27526.51198 1056112.35 824242.7816 16052.21649 952029.6221 16392.44586 1105902.908 1361862.779 57415.07301 1167188.307 636061.3672 1449746.841 837974.6681 23939.70418 946407.0507 754130.3421 28028.69115 25516.03573 1235936.571 1143479.603 1443949.07 23109.60296 705824.1815 976902.2185 1337471.208 20541.53415 1186988.321 517112.9904 14423.9628 57731.5666 1882576.603 1334073.696 16986.09488 713313.6917 1516013.685 1046656.876 1853420.692 10680.16996 1494552.366 831936.761 21279.91593 1268547.123 2006720.312 23484.58989 1038067.824 20180.81209 883544.8711 32391.29439 1565147.536 1070121.652 5416.184051 868636.5122 406717.1441 1024560.91 31175.27495 1137723.118 1425977.568 25233.1557 1237949.552 17797.53936 807632.6666 1267511.115 987260.3274 1037079.426 30552.52559 383209.9269 800535.0129 13525.11436 633243.5311 17773.26889 734539.1681 1654041.523 1526263.011 32734.87166 645901.8615 913327.8762 26237.01361 28043.40645 596602.3335 1706560.73 794041.3958 1616720.751 63566.46827 946884.8358 57952.39472 1017938.977 50328.24069 945560.266 621938.542 24046.94742 1795948.468 1438119.498 578575.3255 706744.2618 23971.30259 1059058.358 785455.9578 22691.16705 1198552.607 37233.82851 1187826.663 908645.4042 35507.05657 607105.007 642623.4587 23695.8034 1188934.587 63842.06753 1776407.286 1472960.706 589783.5685 21299.80415 1097346.467 914355.3705 494992.3348 21923.25707 1333928.346 31099.08754 1503650.116 648266.3862 834861.502 18062.03268 577777.4391 495395.3406 25320.20917 705837.8701 25937.41536 1029655.816 977285.6022 1512179.7 30984.6703 1178255.553 17110.48542 694839.9788 1193569.337 26886.91458 1805582.913 846181.998 13753.78678 1603885.069 PAF C-18 / Butanoyl-PAF NA NA NA NA NA NA 105088.4399 118720.9084 109733.679 98774.61664 98485.32822 95714.37837 84054.60302 84398.62786 94850.30716 92312.28443 97537.15493 85972.07271 93276.95799 92028.35934 87439.25909 96694.32986 92614.0558 83922.94556 80120.60582 48928.66392 100008.067 42039.12769 205820.8551 106449.8206 137404.2905 44880.78078 59778.39173 149390.1613 49019.1469 128356.2049 63703.63918 172844.4291 121126.1869 60163.89254 59597.02228 83951.39378 265406.8768 111076.3996 24980.98403 46585.32658 132281.8118 72079.11593 78390.75719 52024.99169 98037.18738 148761.0178 82549.31796 67271.90188 123269.5081 93983.76391 173136.9835 100709.7901 79747.47563 29887.89523 66622.49072 120819.9056 54629.30073 80795.88718 61453.41488 46036.11298 75944.06874 95353.52549 54327.46171 40431.75504 35191.21349 126664.4488 55247.15764 539042.5004 281149.0963 248656.0056 64882.04908 131849.7378 80618.29615 44261.35585 64059.83505 74960.60389 64668.7113 123927.4863 74312.59834 139391.5985 68026.15532 111589.4264 41760.35582 81935.25666 40175.26279 96918.37759 94189.1507 59497.52757 100658.4768 117103.5276 64479.04922 71070.63015 152197.1305 70181.97527 92123.94042 56831.04179 47035.25075 104582.2515 45742.78101 43673.46804 56518.33247 31408.05876 54945.64854 80256.03905 52528.52512 63653.7202 76931.50239 200849.0604 102510.7883 85805.21502 109326.642 149351.5141 124520.5053 85848.04971 71881.6038 43570.75141 86896.71184 86407.12006 71070.51651 88018.78425 211874.8449 48032.61468 113863.3226 49369.0891 35605.23186 56799.57951 79459.31515 87889.55251 87701.17585 44520.20727 45302.75721 162614.0648 81139.216 74182.16342 118490.1943 57484.89659 227141.7006 76987.84217 74665.36116 64169.87113 60339.33117 74994.31372 73855.61701 37448.27161 52016.40236 52239.20392 36754.85809 109130.1216 42864.60773 52600.6989 32019.08652 61542.2187 60127.7324 129620.6379 82660.53872 34759.90844 26949.49548 49122.26661 46661.29451 98565.75401 35137.31244 82512.09483 49025.91113 65244.22115 67839.50243 68193.07829 54504.89674 37432.10836 118595.888 42740.06826 73944.51561 35495.37325 128291.4637 54670.81678 62213.3401 66922.11627 39651.00075 120482.5565 75322.82296 50537.43375 137865.0885 Didecanoyl-Glycerophosphocholine NA NA NA NA NA NA 141139.2319 138621.1817 150564.1037 136581.2171 138472.6045 137621.4608 127996.2871 104476.1909 121787.2548 133093.4069 111316.8349 150013.3001 130152.3845 125074.8737 126238.1834 117990.8248 129605.8033 128555.7101 138284.7109 315563.2381 344744.0229 128312.3432 323340.902 287141.3023 195935.5527 312407.3388 141808.8422 401538.732 169399.7989 306463.3942 135458.0007 455809.3976 249867.6552 391358.0755 331982.4 164571.4702 439752.1494 448515.182 306865.4804 188980.3653 353407.597 349534.2319 214655.763 177768.4733 422763.4484 390746.912 359929.7354 174241.182 260431.078 535889.5079 466266.4453 213781.7248 301147.3647 151697.3168 355019.7601 520655.4794 287801.8121 546663.3052 360466.9474 160660.5251 250765.9152 328579.3835 249593.161 151276.3643 199919.0804 412476.2112 377363.4982 500733.668 186774.4165 412593.6635 409252.9459 398617.1977 232449.3714 462553.6827 216256.1095 441416.7565 164610.7886 307839.8735 251658.7899 531880.8959 279222.8679 623277.386 195507.1736 351492.1101 361401.6743 333817.2649 466568.0909 218386.4178 511785.1538 358479.8043 166698.4489 436171.8827 445195.0807 243722.464 334813.4684 388222.9325 151761.63 266872.8433 392508.6885 130297.2955 281106.8796 136911.4449 219940.453 211451.6644 146087.9633 234803.2181 153498.2208 332827.0206 332415.73 156810.8598 393668.0081 277335.2569 357430.7922 236363.3351 586967.3946 141460.3287 245561.7552 336686.2196 374620.8777 195442.7342 509155.8423 137980.4762 306899.9894 203226.1868 145568.658 290374.5172 240943.2561 527117.3723 328923.1966 169384.1383 289183.8031 403282.5978 166291.4248 189512.007 320816.7508 297378.8448 792122.8188 256239.9296 580610.0977 168210.4119 470020.7921 237130.1798 204098.9104 200032.789 133144.3153 144779.7601 176152.9493 293485.8426 290829.0937 301722.4599 175455.1371 181648.3484 315494.7489 299137.681 355402.4106 158360.0919 276972.1536 136216.4864 304770.4535 327406.5125 154812.8087 378852.1633 350343.6922 177027.2709 223188.0321 458576.0425 158592.4939 206545.8217 324437.7652 184585.5157 289195.968 232164.7342 372976.6155 371551.4921 183951.7984 234009.2887 369515.6639 432653.7043 196843.7414 286493.7399 405496.3669 5'-Deoxyadenosine NA NA NA NA NA NA 44385.53984 44706.76149 49447.13071 56112.95562 52669.55966 47123.33319 35982.7434 34799.48368 35631.23848 38733.35321 35051.90691 44257.96005 47408.70838 41222.9181 41436.2979 40054.8727 45421.54953 40155.2159 40623.69437 NA 77276.76402 89284.79145 55818.44371 NA 64627.39269 5794.734825 66003.90328 72043.37707 5354.392985 80745.08654 62819.22146 55783.9933 62931.62226 7266.70119 NA 69957.44877 58245.03555 65435.35478 NA 43473.34669 61454.75655 5096.32461 72148.9441 6877.217188 742.6863816 9142.74984 1209.350945 5012.345385 5778.99263 1779.169188 4059.235061 31251.97199 33091.93244 60123.92204 518.1933909 5032.60418 13148.79455 1021.666648 2851.599417 26668.96164 33953.81318 14648.8151 2896.528508 27095.1026 4637.665581 5351.32922 2702.173145 26489.17076 42234.21314 2312.154415 2458.958727 41076.58542 43018.92107 2323.572723 35744.91094 48655.7164 75731.42922 74747.26939 3028.616533 31987.67536 43983.67521 3875.331888 44473.89735 57017.82435 4279.944214 43137.62974 424.441254 17749.6675 1006.819532 58432.89818 51928.65478 2128.041723 12366.71152 4245.761518 17642.286 1781.370592 16573.23991 9249.463758 943.9999051 7552.020301 820.2621508 6056.142913 3770.327243 6443.853675 12186.17928 1416.423633 13836.15496 16139.47278 1096.946673 8300.403284 615.3883906 14107.59766 4657.388033 44047.7431 436.2798838 87749.33675 79535.95847 965.076988 5041.543142 43472.06844 19807.98132 81064.08239 58364.64599 1571.693996 47076.66321 1171.3764 31041.94878 1269.255148 6568.847375 49476.2391 3897.228586 65584.05492 51787.37598 105403.9258 103921.5048 2037.608948 5776.876424 60052.93992 3248.454638 79437.85683 2872.662606 95658.64979 112685.5136 6278.307294 73474.43671 70066.94198 6668.595307 66788.49813 4579.481934 82444.60897 52518.4893 50870.23566 3087.878768 58666.2562 57613.69981 41312.22327 NA 48185.8115 5147.597323 19293.73011 69477.96549 32615.53311 2463.935909 67820.58903 72928.31994 2904.094912 43575.22278 3456.26585 38028.08608 112612.1611 99670.26062 9316.401132 59832.60066 3861.988029 54956.77851 43924.51244 2840.836482 15937.89419 24823.94112 4293.151878 25138.3294 PAF C-16 NA NA NA NA NA NA 15597674.32 15415789.8 15223075.22 14714687.85 14749257.95 13804191.61 13712030.36 12661110.1 13585161.73 14173657.61 13630179.51 13729937.26 13996319.25 13289348.3 13305557.71 12758071.31 13357185.56 12671960.98 12699447.44 11914274.56 14820165.53 7654928.038 22471417.77 14901506.2 16190256.24 10797517.38 10012750.94 17191239.28 8725455.527 14590880.08 8945326.034 26489260.63 18611097.48 15899771.39 14166342.42 14623617.86 27783639.59 12741217.03 8895371.135 8390322.801 20955925.28 16466253.03 15210026.83 13162105.56 19341927.9 21790869.09 16723569.05 13414472.24 20753477.28 21766260.85 30970522.1 20813179.98 11123877.49 6842932.233 12482939.39 17848306.45 11168439.1 16928205.11 13581835.17 8046574.334 11426754.14 15424432.68 12611193.21 9102925.968 9499581.314 16423357.64 13103630.01 25677086.44 14994818.72 18200961.1 14135264.88 15422270.19 11482491.42 18526682.33 11483695.05 18320236.36 8996722.974 14535248.7 12061486.2 23250274.76 13646242.82 24390337.39 8430077.752 12245032.57 9690479.116 19521857.32 22700713.05 14126586.76 19664369.07 18254580.94 11846997.29 20011091.74 20827996.39 13158232.17 12815368.05 12834639.97 9065695.231 18496680.54 13733690.76 11118575.79 11240308.32 7073830.862 10489762.01 11413542.7 8162287.603 8543356.325 10566037.67 16712245.52 13075750.01 12425324.28 20125041.84 16420275.93 19467356.62 14668191.48 17632673.73 6289173.565 10594866.27 11522788.76 14896834.15 11773214.49 20594472.68 8638878.064 14742168.23 7650452.786 6619684.914 11024728.34 10882193.4 15666429.87 13367130.52 8206414.075 13790288.18 21559916.73 14203341.2 10008178.5 13672205.44 11135449.36 26201400.28 13512690.57 18698283.8 7317404.781 20038027.47 9883867.139 11837638.13 10131742.17 7727702.296 7497197.627 8628001.078 12285835.74 8555821.712 9619083.919 6548955.273 10241660.64 16692379.09 16882096.97 10397668.23 5739129.268 9001667.078 9230325.44 10897203.18 15334471.07 9358547.231 15263410.58 13611529.75 9637696.006 10294054.84 15170861.03 6604141.816 6551414.469 10772770.2 7453925.931 12394544.66 8625808.449 13660257.16 10594281.79 8392084.806 11476780.54 12717877.54 16379845.43 12532590.35 13185147.8 19342368.87 3-Nitro-L-Tyrosine NA NA NA NA NA NA NA 4613.681053 NA NA NA NA 4316.89338 3640.775419 NA NA NA 4726.328359 3996.206849 NA NA NA NA 4050.518114 NA NA NA NA NA NA NA NA 2283.718233 3479.291419 NA NA NA 3426.013025 NA NA NA NA NA 4136.700433 NA NA NA NA NA NA NA NA NA NA NA 1435.82604 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1552.488429 NA NA NA 2675.431098 NA NA NA 2137.579446 NA 2788.265173 NA 2220.271195 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 572.1214214 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2297.726958 NA 4340.280255 NA NA NA NA NA NA 4084.879708 1327.595217 NA NA NA NA NA NA NA NA NA NA NA NA NA 3511.007035 NA NA NA NA NA 4090.387629 NA NA 5046.888069 NA 3247.70863 NA NA NA NA NA 3407.604152 2232.169265 4446.682703 1699.335704 2417.254883 2197.781344 2748.384071 NA NA NA NA NA 2807.184405 NA 2890.85325 5215.449933 4635.187525 NA 4222.461724 NA NA NA NA NA NA 3648.5548 NA LysoPC(16:0) 9098.309687 40028.47711 10849.99847 38418.60449 23216.09076 20403.52196 35634315.52 35075153.84 33344999.53 32722766.19 32823937.58 31380149.97 29838520.22 28442422.49 30371919.55 31240496.31 30429625.91 31334714.72 31395471.01 30296315.95 30131231.85 30054049.44 30882850.9 28894128.63 29045928.96 36069224.24 35919851.65 20184120.26 49069264.93 40548127.64 36141830.6 36340236.81 26851954.63 44514243.37 27408403.39 33822878.99 21554536.1 53868397.32 40007668.41 42550795.03 35176478.58 29090165.54 48931244.11 31892907.27 28867361.99 21202499.41 47012445.74 40326148.95 31726929.65 27356560.35 42314234.16 40013841.75 39684190.5 28217948.75 38772972.22 47783071.53 56587126.55 39841117.73 34897180.05 21963403.74 44308301.69 37773016.29 25680564.17 39892157.17 43990945.04 22779388.79 32005874.25 32913751.24 33028463.33 20801125.02 29853747.35 45674839.78 46196291.19 49767508.66 31085882.25 44463196.87 31525824.53 28290966.02 22285342.11 43061543.36 22144245.16 35339886.45 21441049.84 33634838.2 33850042.06 48163507.37 32562267.65 57088452.51 19748220.62 28654626.69 27359024.64 35891180.78 43521807.16 26497951.84 42638242.9 35839235.17 23818975.78 43700864.16 37813341.82 26816908.05 29468596.49 35008435.28 20053205.31 34679393.65 33159908.56 22715618.85 35833338.04 20440309.35 28635727.61 23866222.96 17676565.07 22322483.7 24199273.28 37791147.77 36198067.92 24701992.66 45333256.46 32031146.1 48057358.24 38393090.29 50964320.74 14141323.15 22248508.1 27237908.36 37864678.92 24640254.92 41384114.26 21675647.69 34768099.87 26066233.94 19508345.94 32165217.71 29029610.12 40724673.32 32003025.46 21149506.32 37521041.42 43543576.28 30142406.2 21243594.27 28261436.43 28825958.43 46148465.43 25861364.47 41547145.85 23346451.85 51226491.51 31094293.01 28154498.27 32093561.48 18951253.81 18097114.03 25018438.36 27135186.14 32929974.44 32111322.2 22799933.89 22276267.57 39242318.53 34667890.8 29008513.72 16810389.65 30160882.89 23025886.68 31389422.82 36884363.13 17587733.14 28842577.99 30701084.65 19467580.67 23025790.42 38065354.23 19827373.64 25017967.91 31080120.2 22371474.56 34118224.18 29495040.23 33133615.09 31894327.61 21156013.8 25283324.26 33381569.04 35142214.87 27342100.74 35074820.75 39678013.97 2-O-ethyl PAF C-16 NA NA NA NA NA NA 286565.7172 286516.9405 265371.1711 267715.0568 265705.6531 239571.8111 244072.9621 239118.4665 236556.5431 249388.4451 255509.4552 246945.307 253821.9963 228307.4931 243523.7536 227390.4388 223923.2279 215904.3724 230584.242 141380.4569 336912.4321 156497.2952 591611.2527 194413.0261 468154.0166 120073.0823 272581.6803 362925.4573 82487.43532 317782.469 217227.9417 687110.9036 453802.7023 116766.715 104509.4229 310501.1337 643783.6722 310486.3655 95450.15574 223781.2974 627127.9477 196160.374 413931.2431 212172.4891 141604.2648 332519.2817 173625.6242 306703.0589 522556.0035 160367.7114 633849.7609 445581.7109 195058.8862 150930.0637 96142.16557 198698.0512 140646.7594 86890.77501 95393.37266 177454.8545 244594.6458 257103.9552 112060.4712 167071.4777 134326.9699 279960.8555 79585.28129 393152.7861 252770.7356 96506.90003 93090.34133 334194.1377 234134.663 81986.79507 162563.844 245126.7985 183242.9389 285620.6641 98628.95249 327805.5445 267566.0642 166581.7744 228609.7437 315852.4754 93866.59698 219686.6619 91544.23086 160267.3141 145105.6074 351223.8966 257477.3683 136886.9051 340798.481 186657.5314 215315.4078 125918.8915 177449.7599 342620.8781 88406.55376 195625.0171 71407.05702 143018.1262 214073.3966 257097.4586 167624.556 131432.3387 210217.9372 304143.4113 95292.61453 315289.3735 188830.3503 397751.2416 319282.1068 236619.5936 60612.70347 142177.9919 219637.2185 93905.72396 101113.9586 184706.8592 399191.3147 203786.8656 294327.9258 129509.7114 145859.9309 91658.37242 193601.6611 163090.7089 241533.2626 185090.8525 68159.06283 397632.296 234623.3634 338695.2199 445553.3813 151733.8013 430437.3016 184752.224 101608.2534 252600.037 75284.04839 364748.0353 273708.8566 79761.62874 197594.8679 160858.4697 74390.95208 261494.0547 84774.6953 216216.3756 162409.0338 193533.3998 118241.3408 322001.1238 217359.1182 155162.9407 94219.19105 150013.3884 65804.48573 236686.051 144842.8139 213159.2272 87090.61254 257019.9507 244928.1913 182608.2647 146061.7983 52991.93539 218137.5307 175385.8025 296275.0988 85297.46912 289053.6944 99009.56666 187310.1729 219587.1757 126583.4433 309882.3597 230959.7031 70174.05317 348993.1436 Cotinine NA NA NA NA NA NA 30329.45674 28087.40883 23133.73979 27281.3995 17101.94724 21648.57034 18343.91122 13331.65983 19409.79915 21950.1244 21203.68835 16327.96885 14719.56264 20944.18087 15689.2793 24470.59061 19906.86719 16013.79814 8628.787038 35934.29215 8975.916913 7599.501674 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 176678.8347 55420.89027 69817.29294 NA NA NA NA NA NA NA NA NA 4832.356698 18961.03682 NA 32264.89183 26860.4676 90789.02118 NA NA NA 108476.869 43444.6664 35569.1809 NA 9317.190629 NA NA NA NA NA NA NA 101185.7409 105997.3199 209104.1782 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 219034.1888 71650.80042 87725.69142 NA NA NA NA NA NA 23551.70676 8482.966657 NA NA NA NA NA NA NA NA NA NA NA NA NA 140438.3606 334502.4979 118455.7418 NA NA NA NA NA NA NA NA NA NA NA NA 131238.6072 534532.586 226954.3811 NA NA NA 14503.18102 12484.35303 40773.80458 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Uric acid 5997.64538 17794.51872 4895.571075 NA 4657.353017 NA 3120704.566 2910626.321 3018089.216 2919588.283 2611797.853 2395700.273 2168766.543 1998054.049 2174298.882 2247406.609 2147253.876 2389458.921 2292507.006 2069932.537 2125812.958 2120394.582 2204300.533 1982001.203 1941594.108 2154647.388 973656.9013 1263868.706 345942.5285 2528479.366 1031655.75 3225266.263 1777231.57 2051863.889 3049706.034 1156443.759 1162860.126 1157081.832 2376606.713 3538764.963 3104224.527 1542281.359 845851.9863 1902200.033 3248249.905 833707.6528 423115.5234 3352003.621 1440635.729 274516.195 670649.8926 199814.7099 1183659.907 632957.2395 111864.4269 1724971.31 142667.2309 1148523.797 844713.0267 1369986.933 723835.7822 639402.0441 977627.0123 1594499.902 3148445.437 1046000.42 1217949.723 663818.8229 2190837.04 1082637.95 345219.4548 170153.9688 1520439.125 699166.0153 1472655.061 3311008.442 2456152.427 810983.0877 1150152.969 3692163.794 1639217.53 2222892.948 1159134.157 1230306.005 1886991.838 1550451.186 1618127.132 3928594.738 1254189.775 1431419.992 2023573.279 1696148.03 1035514.364 795447.7837 1298289.982 1287053.665 1108605.619 2313083.756 331240.7736 509743.5464 614875.5505 1465281.378 660978.1239 187016.0213 783554.501 345228.0704 587399.3553 400757.7903 86986.58864 237314.7801 694257.8597 1237657.388 192718.53 91238.50912 631938.7855 822969.6786 902694.0822 327726.4652 91943.63482 1408534.485 1406251.555 2636637.538 2918770.644 911444.751 3002263.805 1541426.283 1216590.7 1411312.087 1127632.608 519159.4245 975112.4577 486123.7795 845267.5732 725663.8365 164322.8387 850814.3296 3423511.591 1492909.244 1433092.042 872087.832 559774.9828 1077915.916 1307703.17 1341098.192 2494094.755 957646.6539 3061431.804 1004267.586 1363139.127 2491149.982 1131330.473 1829389.918 3220691.833 1814148.448 2442686.624 1350893.491 1001220.923 1265259.804 2718280.971 1112275.509 1386484.273 1136665.231 2578546.625 790662.8079 2082481.17 1357549.465 839715.0775 1498427.103 2262321.209 1119907.948 1023694.634 2294162.326 1396479.657 2677722.752 1026299.971 2064063.17 1684850.146 3480688.511 976563.7692 2370209.287 979116.5264 1056809.434 1912356.399 1045541.631 1098667.003 2457292.451 810490.8859 N-Acetylglucosamine/ N-Acetylgalactosamine/ N-Acetylmannosamine NA NA NA NA NA NA 98895.52924 71437.96352 82790.18366 79125.81305 68020.2881 66799.6481 70157.97446 54454.73894 59318.82016 56773.11998 54533.67106 61958.03482 52576.37523 52750.49954 66156.65835 68866.44725 58286.75066 64683.13719 65644.78139 23724.99302 77154.19354 77086.2737 92968.11208 11775.29728 100811.3408 20920.20537 70489.00799 108336.7914 22378.54146 143497.8409 105917.2717 84948.02101 62337.53356 23691.81003 11651.1558 87817.76546 98741.87319 84101.64032 29572.07332 74074.3665 63213.62971 15136.53627 88937.36269 35940.00186 6489.616476 41965.58823 12736.03669 42850.19943 12619.50688 8235.884661 28924.33416 63547.78546 35198.6569 31388.89734 7465.261217 18912.9804 25238.25917 8662.095218 15248.47133 47474.00893 45572.63517 42766.90235 10521.67782 52713.47335 37947.0596 19477.094 12726.61801 53808.73726 40141.87906 13736.52661 NA 71965.63565 54171.30058 11732.60204 46829.06954 59161.7019 110938.3934 145623.3747 13294.23577 128826.8808 116564.2222 15770.52159 75841.45151 98488.76004 17114.13275 163398.9961 7613.105327 108578.0538 7948.558291 91109.93638 70375.54401 8117.449005 49804.29345 58831.32819 55854.4964 10139.99851 40255.48972 38927.80231 5007.190566 35637.74973 NA 51999.00367 25153.15463 38939.7366 49239.37007 NA 44622.32941 56387.88789 4540.517003 52979.70384 8807.539055 35336.54551 39599.46269 125468.8834 3610.105438 100692.4819 116730.0626 10153.64799 10254.61516 39352.98377 15916.00234 95400.65407 79849.82849 11342.21179 66366.43233 NA 58149.64699 NA 22002.28746 66967.09889 21426.39664 95880.86164 65066.19755 178023.2487 183246.5439 7865.215828 19752.05511 8759.927557 11025.15636 164055.7437 13279.16797 213003.3623 124632.5807 25139.04219 82814.09102 55382.76526 19011.54822 66720.29194 17092.48126 80490.97629 69345.8349 87206.081 NA 91643.28871 62027.8398 39678.75766 14647.21941 139300.8406 16724.82392 40690.27038 138451.6767 76895.00676 9672.844348 79301.44809 85175.06677 10094.759 78689.19932 11239.17776 88541.8857 83074.17062 87556.75595 48372.97609 166741.6224 9811.21004 117072.9841 80226.37915 11655.30374 29467.7524 26964.95872 23958.48759 37733.56487 2-Aminophenol 37675.12723 25953.92588 33288.98833 35364.76229 39893.64693 24576.41267 20498.1216 25353.52654 24788.86525 18851.74233 24357.92938 25447.08446 24980.07466 16198.06996 23468.34501 23444.74833 22238.08361 26245.96825 21922.21263 24627.72797 24083.98233 20233.50072 27058.48316 21948.47102 24390.90714 19546.41173 19924.04989 22749.02084 265888.2609 NA 298205.8416 18877.03145 34164.9902 18357.33201 20954.4804 12383.41143 21549.84415 12604.68099 18945.85326 18785.41915 21422.28606 24131.94123 14923.27084 24907.85754 21491.89121 28300.3857 16555.72822 16144.26441 31611.11085 20786.26589 22300.69718 25392.71853 24099.81485 17749.35225 15936.9162 21657.98874 11475.78007 16971.51734 19518.86501 25030.27713 24194.07409 25296.36527 27508.14662 19088.30049 20611.68143 28206.10135 23734.69616 25344.27555 18032.94226 27628.41393 23075.22178 24754.13092 28872.16583 12577.60677 NA 15074.48294 NA 268036.6342 23058.93934 14307.926 21049.28052 25490.29219 24429.69225 25910.99202 15853.48513 18461.91949 19921.29635 22716.9473 24699.22967 22033.73382 16313.04804 22799.29733 26236.17209 23965.69135 19670.96569 21693.2637 25028.56729 18857.93411 16823.93584 18768.67188 24054.17743 23800.92405 17697.66285 NA 20629.05353 15253.01922 26452.6092 33970.01431 20746.67708 22848.8178 18990.51181 18640.82464 9592.806255 13502.34051 23943.90923 19921.61744 22690.77804 12356.82125 9535.540283 36511.90634 15211.97969 20482.85193 18648.758 19761.24765 17703.75496 24273.01524 25696.8407 28294.26533 18758.69305 17914.1929 25998.80581 22477.29055 22910.24644 18252.73869 22191.70485 30065.83906 14584.3014 9565.587381 19455.78812 24944.14836 NA 23951.46032 24587.94225 30494.22512 13951.70675 26681.74693 19453.12573 13304.35939 32111.6751 22478.11429 30494.38083 20061.66 13702.44321 20206.43116 21461.22932 30574.88368 29782.61089 25941.01832 21538.24527 NA 27616.76967 21080.10765 17256.18248 27432.65934 15084.2432 25137.97372 26316.064 25013.86108 22009.811 28901.07892 23227.66553 10924.6936 32972.17983 17752.70499 24830.62761 22864.30205 24974.40752 11388.42818 36484.03533 19939.73241 31002.26502 27020.95581 22317.18955 25559.18023 30665.91888 22161.70188 61346.97397 Glutarylcarnitine NA NA NA NA NA NA 311345.5687 294059.8652 322992.2499 350905.899 295610.6426 268386.046 216704.1299 193192.9009 221086.0404 214896.9714 216242.3264 236845.8698 227768.7545 176087.2754 181223.8028 179734.4716 207163.1541 203323.1516 212451.8479 534498.7679 343947.6961 362358.3496 198412.2241 275739.2693 125488.6102 353873.9105 250459.6958 317227.027 260192.6719 179438.7824 208819.7714 168446.6174 258338.4157 276092.4075 556883.5619 314840.415 414912.8141 331395.2668 423379.7855 191858.8651 330291.7126 579813.1149 341268.4815 NA 29778.12524 45381.07575 171361.6641 NA NA 45750.67756 NA 53986.4035 110469.9749 231719.1897 45470.97701 43520.01036 102429.2702 80514.18801 192819.3832 98565.17956 105495.6874 62847.60038 205151.9333 107286.8289 NA 83276.00131 192076.5963 105855.5733 116404.383 135396.0776 170219.343 160875.0407 131542.2302 165811.3871 110529.3625 185505.1333 124319.8301 153870.4605 111065.7113 176191.555 185185.877 233419.2533 143337.6804 207926.1504 176352.1385 176543.6908 51006.35559 110320.6862 98027.07219 145977.73 124529.5112 105995.0736 35379.93406 45927.66237 55007.69204 79210.74546 66393.66942 NA NA NA 32446.87259 NA NA NA NA NA NA NA 36935.12864 NA NA 16250.41957 NA 93374.38205 46281.82299 285242.0821 230927.7445 50287.86991 247397.9734 164223.8559 238863.0348 263940.6987 117861.32 42756.34743 161377.6028 NA 88835.7972 46493.46577 35395.39459 66260.66403 226006.1605 167154.9041 130779.9622 195164.3213 122189.6463 67814.62524 217782.149 206779.0053 193187.8169 166479.5349 158197.0356 137425.5964 157575.7871 123010.6045 166382.7268 112328.8807 145321.3597 109466.2776 149782.2485 165087.9097 88500.22415 134773.6182 156100.4546 150603.174 196591.4498 125941.8655 181518.3241 284128.2165 643503.3208 543643.5621 147014.6251 169240.4407 89433.92457 210272.7858 231312.8957 166648.6403 174134.5704 96999.34642 131547.7929 183244.9817 191761.715 158850.9978 228681.3924 195404.6381 182653.8783 185680.4492 132565.9972 187039.4699 108275.7121 131906.0264 95729.2784 Allantoin NA NA NA NA NA NA 89377.76351 85574.45373 80523.57601 73679.95581 67164.77764 64648.08778 60481.84235 54904.18876 61095.85968 67980.06209 60549.65526 61574.7713 64715.40232 54423.35703 58236.18382 58973.51707 55888.23121 55776.38856 56935.3269 20332.52483 35677.094 34441.04637 67861.58566 16341.52126 42584.27536 61173.99115 60846.10093 106666.4673 21261.39859 109770.6026 56618.49993 172200.511 71659.44386 198312.0712 28195.4967 46440.21678 147291.1332 144177.1372 45154.42297 110426.0036 89737.23092 32633.22639 54952.98638 119729.6455 20049.24982 136150.6928 19260.61721 41216.46606 161839.0194 39265.20296 183750.8291 41362.00226 48897.40528 32934.3843 8297.578522 36654.65798 34111.22497 10399.31823 14358.05494 68240.53258 37180.35006 35685.85879 15210.97273 61940.97097 85698.44561 264283.3975 13225.07327 142844.2679 50163.46625 35370.49526 13348.85723 111610.1031 42562.27607 26379.14146 52400.67496 88978.76373 31696.16647 40803.67811 11676.28758 57466.77249 45577.12929 34238.63201 35283.77239 48199.47444 13355.66077 41181.15118 9795.0602 90807.86718 19730.17754 62182.55432 28729.40483 16252.54022 84268.56601 145687.8132 49596.82637 12011.80286 97804.5672 120890.0671 11882.25553 72489.64082 8872.243911 53640.23573 139377.288 156430.3095 91166.30876 7892.935282 86286.77588 41502.45776 11162.56345 101300.9336 9778.38936 199252.8648 369839.2139 62433.10627 11300.65484 62384.52275 58660.75449 15235.93509 21874.37034 32852.39558 143104.7158 57482.00899 120952.6647 7242.398366 19646.68674 10698.87716 23453.32232 18194.84518 60354.74563 29903.57764 20975.26471 133750.2251 68299.74744 43566.14487 41436.26173 70406.18526 179612.5583 45937.30701 58391.44357 21951.41166 17474.64311 41175.35372 50093.39818 27097.5765 22478.37762 31647.62685 22878.15223 50800.40959 18811.76079 46605.25417 29669.8088 29693.66263 21616.11965 61791.9803 67599.61971 39013.45807 19702.7651 22615.18886 16149.52762 41135.11022 50696.53252 54051.57814 13984.86153 35995.19907 50262.14067 19014.79809 38060.4084 31915.87583 80649.68055 36909.172 74137.6403 20790.84519 96787.22364 39114.64975 35098.15333 19720.26437 24365.55922 45731.12281 51394.57461 21940.76839 162549.0224 Deoxyadenosine NA NA NA NA NA NA 18426.01171 23630.54846 29575.1197 25177.99915 21716.88867 26681.14743 22949.96743 18160.24677 27335.45546 19853.37955 21513.8717 22089.99782 24425.18359 20185.11279 21180.86873 22987.68394 16499.01513 14594.83011 22283.39988 8574.097119 12242.47651 7412.594305 6434.373307 13083.95851 9499.930062 5452.901338 11739.15627 13316.19152 7829.078911 11504.83185 8443.507801 9510.929294 13766.99615 9045.973585 6925.502024 11725.84508 11783.37734 22310.28043 5869.293559 5328.510932 10548.83309 8728.136104 4554.282202 4668.628843 NA 4576.952009 2514.942574 5089.001693 3668.91735 2770.758842 2910.911206 8207.159772 4665.115416 5535.656026 1953.426772 10713.07925 9011.231507 4750.626403 5618.767565 2559.783958 7465.954292 6440.867867 3916.149142 4897.601364 5505.737393 7577.707112 5755.546147 19060.05859 22236.26919 7730.392493 4685.154456 15325.69627 17593.25674 6075.699953 6610.420978 15662.88905 6026.115262 13824.93209 5232.754924 11291.97401 11299.18775 13147.36151 6499.787516 13565.25621 NA 23274.46388 2656.066083 4600.786155 3441.418411 14205.42697 7411.029024 8233.905849 4153.1096 4616.548732 5280.016796 2093.754318 2239.091401 4631.083199 NA 2274.170415 3095.41805 5493.837895 2325.027937 2438.601443 3954.791907 2510.506086 4515.982232 5375.334908 2657.461862 3730.164298 2439.821307 3038.08617 1986.844568 9840.250457 2381.312338 8354.857803 25325.79552 2040.267003 5496.947093 8362.777712 12511.52834 7577.556999 11919.84853 NA 9292.872603 NA 9085.863338 3148.90089 3852.601291 7820.319029 7610.035267 18762.30677 11377.19028 7108.904125 5459.114005 NA 9265.46433 10985.18311 8071.409497 3497.39948 7660.642783 4274.001823 10127.5863 8430.022634 4777.971495 11519.15326 6093.033271 10056.49019 5055.493393 13290.97395 3964.801733 8521.823069 5095.957118 25058.15136 17300.28833 10913.85953 6259.036968 2930.975051 4431.137217 15478.21675 5064.38849 31583.41744 2333.777484 7688.260713 9011.760186 5559.751834 16709.03539 6476.637303 13180.22896 4427.37309 8173.786885 3479.361848 11614.61124 4338.939988 8014.955225 9112.23489 3964.951944 18939.89683 15074.9239 11302.06217 11559.95883 Phenylalanine 143633.3523 353472.3136 143650.9137 NA 123926.1453 NA 10062688.63 9517294.968 9213945.616 8617667.02 7920810.709 7719043.842 6404799.952 6491393.627 6839993.011 6702146.431 6812960.527 7325027.239 7446820.32 6641321.073 6373451 7167635.732 6570434.859 6459528.134 6723529.768 8907852.897 6144689.073 5050541.098 4683363.598 8358515.9 3486849.847 6911718.752 2787220.788 4909078.603 6642353.726 4153124.292 2690731.564 4451247.972 2956056.24 7919978.082 7528946.522 2847337.145 4511124.186 12682429.98 15980216.87 4275508.255 5441578.711 9323712.266 3782259.718 14248518.57 6018196.61 11557047.38 5289636.198 10725681.7 11398329.54 6137573.476 8946052.21 3286981.922 3994131.691 3330781.271 4307491.158 7426549.801 6588410.961 5760840.503 8508050.908 7174874.954 4121530.05 4705825.023 4694414.089 5140753.629 9384365.251 7498748.185 6123218.938 6735566.733 3995973.368 13192124.61 7651608.304 4373747.868 3981099.55 12325345.58 5085852.825 8827586.994 3128320.953 5011672.997 5532384.721 5504685.197 4136241.442 11721557.59 3248043.261 5201081.613 5135462.246 4372173.179 3476860.399 8518511.808 5152624.554 5575867.107 3444582.417 5095513.796 2880229.025 8431678.265 7566063.748 5073488.65 13305038.37 6539096.519 4857077.814 10143488.05 5220107.682 8469779.471 11818974.3 11292623.36 11331179.67 2721268.643 17940819.61 4524486.869 6796054.699 18052185.33 6567584.848 20698947.68 7979785.482 2862846.308 4237089.914 7557638.238 12767473.06 7260876.452 8233993.125 3351423.792 5128473.2 3039102.919 4105805.815 3745051.851 4473123.167 4709514.003 5168707.724 3149059.367 6740671.866 2500391.357 9034346.364 4769050.19 2878482.817 3407701.533 4204443.795 5030050.864 6658900.932 3188952.399 7534444.929 2649198.819 14947529.86 3629372.936 4741441.334 6939566.121 2903905.653 3217814.479 6578809.253 3388967.248 7111929.845 4856955.042 2720477.77 3697795.924 8589216.736 5253229.512 3952117.763 2210833.403 6145416.939 2851908.015 7407064.392 5048905.162 3887652.362 7092419.168 9687510.034 4458343.176 5778054.371 11652453.57 3437229.714 9007815.449 4270200.279 2850737.286 4113931.052 8689770.782 4005833.983 6897759.934 2633742.135 3533594.495 6958782.019 4303533.587 4593797.349 12074249.53 5800705.745 S-Hexyl-Glutathione NA NA NA NA NA NA 11266.48581 15360.00474 18071.4719 19029.88867 18477.84808 16397.0926 15560.42981 12808.28886 14032.06482 13589.43609 13329.91518 17762.08067 15624.20645 15039.29162 16394.13146 16337.11848 12961.38408 14566.22913 13079.1467 3571.863017 16907.55397 12388.25277 9251.375316 2903.536679 9390.760666 3798.215022 7162.24651 10943.0828 2805.116817 12236.44283 7981.88418 10776.17935 11133.66262 2502.5457 1896.271534 9259.797809 13837.00963 28873.75394 4481.605474 3618.381841 9273.739697 2731.657812 12777.27437 4045.672652 3054.470226 4343.594611 3313.762946 4313.01108 5460.605243 2661.828178 5554.677052 6848.901335 6766.561072 14676.30991 2006.771497 3933.901936 7468.732697 4910.881729 2932.591501 4010.437106 10868.86178 5187.744267 2268.781074 6752.06809 4214.498724 5441.322727 2513.476575 12359.39759 5352.956815 3362.44113 3558.674191 7100.49539 9246.844953 2069.052761 13135.0363 14755.05385 12091.52262 17665.86727 3613.619554 12730.17804 10451.36468 6481.095064 10426.0232 14586.1455 3434.158 14826.43729 1737.419395 8374.457435 2617.8812 16659.28143 12536.66634 2966.748718 3419.191141 2261.751814 4643.97198 2437.413188 5898.424922 6007.458234 1804.884234 3765.776631 2234.88724 4752.656628 4993.126694 6166.301474 6351.867097 1545.548896 3949.266985 4245.427571 2286.862481 4796.746239 1476.63302 3796.814389 5840.378846 6204.102342 1692.897551 19999.63012 18097.98894 3079.915755 3059.235735 5426.587527 8134.507295 11098.78176 13537.18415 2670.258356 14942.04306 3103.572331 11538.84382 2360.454638 4027.36008 9715.207733 2087.727944 7754.555133 7997.604176 10734.69573 14221.18829 4012.720898 9850.393196 10922.14153 2624.364647 7480.648513 2880.661103 5225.067799 19954.73683 3580.054266 12663.25806 4667.504221 1740.22802 8019.570439 2689.601307 16988.21868 19617.90222 10634.92498 2991.923319 18238.21081 15159.18597 7201.709684 2837.962432 6569.227313 2727.311112 10594.57288 13868.0502 16012.07705 3348.395838 11798.5949 13510.53354 3575.142392 10235.04444 3309.503809 8173.297508 7558.534918 9102.977624 2441.333697 10869.16461 3911.253789 6026.114861 12645.3262 3982.068286 10699.9166 7567.859706 2758.71002 10967.54906 Kynurenine NA NA NA NA NA NA 554440.7515 467579.6745 375972.0836 402513.9438 441769.7925 418471.9019 353296.4714 396216.8702 415475.154 423301.5907 428854.4462 377795.6647 437508.3977 347666.2176 357028.0364 383423.4522 399226.2058 366548.5508 351995.0019 443647.6777 138267.5685 122014.036 364311.3772 874953.1509 144132.0935 396561.103 41259.39572 129556.5326 514668.8486 178111.7568 54727.70414 342595.8149 177685.7481 1024690.991 732044.568 78067.68786 421144.8364 328285.637 696333.5175 75677.13617 381349.5842 728441.2676 92870.53908 230365.0731 387779.2494 547557.8476 322025.8593 213261.2895 481369.2915 410993.73 686735.9679 126993.8895 136424.4915 92194.10261 400729.2298 512471.7934 287850.0883 520098.9931 590889.6169 191606.7367 108976.3725 221630.9839 261101.6805 173354.843 246318.5774 760199.7881 491725.3547 458138.968 55490.0338 885346.7429 771914.4997 309149.6401 92280.20493 1060270.31 90855.82249 371747.6581 70913.92243 200434.1706 467967.0232 174365.8247 88381.57183 1076274.664 92550.32161 201429.4573 394580.6754 228966.061 463067.3552 484057.2571 604998.0438 325923.7134 140172.7146 571758.482 262254.4538 288823.1787 449344.0275 301873.8196 246338.4528 330780.3141 297306.7851 204076.3324 633293.6106 222473.146 517560.8736 450391.8846 294289.8074 170197.3074 333690.2869 461765.6511 348399.7225 348553.4647 1015311.229 753301.3716 832466.6066 113075.7375 287359.8714 220617.994 434171.8611 368455.6173 601457.9663 53647.69374 235930.4821 59535.79254 252732.9813 146209.6027 71205.90533 289571.9107 159666.3427 116608.4512 177371.3117 23837.09684 723664.3099 316351.9832 65691.79619 94877.83994 149618.3414 238285.2254 507648.0664 51063.04243 626248.1112 58456.61072 1278200.614 112760.4326 145284.986 581719.9926 79163.01165 86233.192 692391.4343 181953.7169 532647.4167 196436.5394 84213.01719 131015.3837 924046.6468 276444.8474 206622.8001 79329.66918 566946.0034 69007.67005 484943.58 186237.296 78385.97703 414636.0092 889797.5865 61922.67967 115580.7863 853090.896 98159.0719 1069696.899 344172.6509 175506.6018 474183.7678 1849006.858 299435.9479 556164.7188 78977.59451 64098.92989 412782.0413 159730.7945 159453.9113 1173523.055 448594.3019 Leucine/Norleucine 1487252.723 2480641.85 1577843.054 380050.7833 791539.8815 698721.9334 27675360.46 26719642.86 26697364.3 25317236.58 23407155.41 21868346.48 19641071.59 17931020.96 19722646.59 21433127.3 19674023.66 22077051.61 20861546.68 19078019.2 19152534.49 19631038.56 19565168.7 18445773.58 18308891.23 20019389.06 15339431.3 12283831.32 17396156.57 20836949.07 10944779.39 13791853.79 5582273.422 13795480.54 19076370.48 16379723.75 7687633.42 16453240.67 9899911.705 18627291.76 22240363.09 10078995.34 20160748.53 27741065.35 30796049.67 18858091.87 23464957.49 22893710.76 9844648.346 34333616.99 20730403.58 50724848.19 9561105.399 24805491.24 30363574.36 12317586.38 40250450.82 18711877.25 10584663.95 20188765.23 15141488.99 51387756.71 52532271.84 17449727.99 19272499.71 44431104.44 16555441.49 31639531.91 11694828.98 42196446.08 26581885.88 40999290.1 13289548.52 19167799.86 9607350.395 25575931 20117984.26 14318679.4 11581866.81 41044826.55 43729313.34 35914331.39 7338202.169 12727096.17 13010013.7 17971598.66 28002858.57 33458536.08 11999467.62 11890205.17 9793177.936 11464610.69 13859342.82 42157780.63 14450125.23 20104934.8 25356259.1 14503319.3 21508945.31 22911114.19 42057914.99 10587037.99 34809634.94 34242317.65 29368468.89 28585367.65 29960209.99 20841068.56 27621608.76 27840060.06 29895803.47 8129709.172 44852790.75 29184348.7 30394976.87 34962677.75 23943661.3 50057749.89 37964910.88 15375771.76 21331466.15 26019735.73 35229733.56 25332030.69 23595087.79 10796378.05 18660476.2 8209944.392 14578737.3 5845813.142 14888596.63 22615352.82 15153247.34 5582338.843 27315404.92 6783505.544 27402593.9 22081415.67 14550690.47 8674581.279 11207798.36 14187425.5 19283571.03 8461263.424 18907580.78 8321354.695 38888196.96 13693145.88 11603482.85 14888213.65 8457030.031 11807219.71 15558700.39 10936977.52 12126583.42 9318513.941 10211844.4 15745328.01 19087239.19 13411604.07 10336647.26 14709331.11 14676484.78 17054691.74 18264346.09 14667903.61 14601254.96 20378487.01 24440982.59 32377187.02 22719149.16 36136935.69 7044408.562 18242219.02 11094313.12 6167184.202 10116049.38 14602861.7 9714104.325 13248507.82 11198061.8 7709265.317 15863524.86 11193644.65 28755733.18 28266100.45 21461340.57 Biopterin NA NA NA NA NA NA 13170.77074 9450.759435 8924.304664 7705.826471 8929.967462 7335.884402 8279.095724 6464.048056 7143.372382 8309.403905 7322.327363 8907.744357 7857.952429 7655.190211 6939.971703 6665.27033 9514.15848 8344.761063 8789.285273 1618.016549 4842.871124 2852.504118 20288.15635 NA 8107.331804 NA 3004.580397 7271.57279 NA 10766.60723 6295.406288 18209.23845 5244.308236 20227.10522 NA 10711.5148 33160.9638 11411.3072 6256.836161 6840.891769 37940.552 6898.51309 4116.958376 9795.254641 6488.168476 5262.795648 4792.966892 11142.95313 9656.167036 7984.083844 5510.28443 5968.318145 8090.524302 6332.242305 7832.3273 6721.867336 5640.738988 3012.135453 2088.529282 7559.922082 8156.200931 5909.606197 3566.983846 7866.851595 10057.97124 8643.654766 NA 19218.43762 7051.295715 NA NA 8316.290919 8510.640974 NA 20870.80996 5564.397188 5787.060183 NA 3236.294269 3639.742806 6661.656384 2219.010378 7470.282932 2871.944495 NA 5180.433435 4777.419639 9630.604413 5907.537728 2474.277936 5493.399423 NA 4405.469455 9447.903116 5861.860862 5294.381508 6547.203253 6074.928681 4272.099816 8931.911853 5933.607623 9001.623836 10506.06514 8873.483179 9007.844447 5035.658449 8976.476091 6919.069368 4133.77892 9396.455171 5383.289359 7422.769475 8552.724085 9313.623139 5163.516346 3747.429297 4223.247305 6494.865523 3190.83433 5754.57404 15705.16825 7148.405079 14400.06774 3870.099866 NA 6102.778636 4207.018558 5161.679607 10185.6412 4629.859682 NA 8514.490986 6976.041696 9424.295398 6767.623151 7900.672079 10850.53881 6872.908254 2821.371304 5763.159323 1718.527909 4649.536425 4357.46528 NA 7247.201967 5897.298028 NA 3200.375127 6284.928058 6795.310623 5684.555953 5316.452424 NA 6433.720361 4623.791038 5394.067369 NA 4719.509026 NA 5309.752346 6529.386956 4388.371304 NA 5893.738817 4995.485175 3662.782958 4966.72093 5801.072054 8876.005217 6732.126959 7781.309523 3584.253685 9412.386333 11385.28372 6090.179741 4319.986054 9476.278965 7792.481997 6097.53761 1556.161948 20602.59175 Isoleucine 618069.7418 1914224.872 1124461.875 279515.7544 548872.4312 393262.4965 14896037.47 11580032.25 13956025.09 12173137.7 11793136.88 9777727.662 8648589.904 7851698.953 8916642.565 8968426.281 8493756.816 10604175.29 9399252.878 8852381.98 7251784.985 9056457.411 9303539.575 8018313.698 8128162.249 6408750.074 5173934.101 3746514.58 7439126.87 7962741.631 4034213.065 5258903.337 3217265.886 5890520.985 7829040.735 7361899.888 7620823.931 7123001.966 3557740.246 6439935.632 8035631.673 11716012.85 9343934.207 12956984.51 13644079.12 30650509.39 13134523.27 8313794.168 4105457.608 18208070.49 30088703.07 31230552.13 5662073.528 12285164.42 16465106.41 6611622.727 21326839.73 28058818.64 12372817.2 27481931.97 20997616.86 42981718.06 40847265.98 10178058.03 8357987.009 30043230.54 26784050.17 28153564.15 4964176.278 25317745.95 15230050.64 29601411.5 4811991.203 8190146.995 17218764.98 10733801.97 8601513.652 4818564.495 21410774.27 27354284.58 59717191.85 20756318.47 8624426.884 5326332.909 4890064.108 12705235.05 41584405.97 16233811.01 21396233.26 4766580.893 3339467.693 6232407.251 23148691.07 24499001.12 18289070.49 7025171.39 32745398.76 5417766.133 23529160.5 10257202.78 28378081.68 18488324.04 18640231.83 19985869.58 24850805.65 15321915.78 27539915.99 9019110.451 13372938.67 12698720.24 14780869.14 12308605.56 29091464.44 50700207.45 41884409.92 19771153.06 35606054.16 33615813.51 21062560.45 25112587.88 27932309.8 11149036.04 21186592.01 36471495.65 9629952.093 18436067.55 7312631.458 7743858.126 5977406.32 7990812.28 27667930.38 34136125.71 9331553.266 5559043.175 12066012.2 12486784.02 11197390.57 11031739.96 27284190.86 10135423.94 5597934.975 24075765.62 7294043.342 10716000.12 5502016.716 8533953.403 19828100.18 5674063.122 4160705.278 5300471.675 13387602.92 17216186.15 4859188.827 2880856.076 5198319.318 3703804.079 15035770.38 20659734.38 4801943.743 4300015.043 4171549.322 22054756.34 5246589.115 25382687.2 6002578.198 6121719.803 23494663.92 8881045.283 10966598.89 44674834.87 12873958.01 18267242.05 8444796.107 5721133.11 4064064.347 9452797.59 4896877.17 5703287.698 4029556.748 4546029.136 20221828.51 12112819.85 5538181.082 4366643.398 41068218.44 11943142.11 9686880.228 Tryptophan 36779.90877 104608.7512 62052.26102 27047.92085 58032.12334 42201.70711 4752208.429 4201655.021 3810736.8 3350699.183 3653982.399 3046221.503 3081789.369 2429066.731 3155652.417 3645247.39 3112126.898 3325690.078 3293717.987 2753145.783 2845505.131 2898349.994 3285619.04 2821512.552 2763128.142 4886456.028 1865528.603 909874.0646 2569038.178 6276426.82 1081268.57 4028574.045 871859.9469 1827581.758 4328591.239 1476780.84 1401544.711 2954450.041 1202471.778 6642572.008 5925757.113 2130826.661 2431288.618 3563334.239 8792896.883 3862415.029 2080951.283 6546895.622 1130207.145 3252533.25 15054700.18 8442591.286 3380126.59 2325631.994 6161312.913 4499728.997 8227014.531 4132444.791 6119419.7 4248321.6 21257099.31 9833055.922 5196292.072 3765099.086 6034213.691 5091122.375 6931928.723 7947274.487 2693918.476 4241962.158 2939680.911 9578600.123 3958654.12 2554696.764 2417477.68 6857237.04 5447103.463 1362319.889 3543974.586 10191494.27 4946344.782 2482281.265 1890378.049 1266231.616 3787148.921 2401757.155 3432652.926 10433910.84 4236291.437 1224135.724 2682043.527 2679765.96 17164434.82 6927621.834 8262842.975 1237656.906 3215692.66 3684677.856 6582385.14 3707156.781 10179371.17 11111159.57 4627591.939 7097673.417 12024597.68 4549842.678 17372106.4 2264970.021 8364580.986 8174297.559 4003187.618 7855633.444 4369653.911 9130276.672 13575133.27 2881168.751 23356680.36 7431607.947 8622501.182 4124874.338 10219216.25 1295813.304 3832045.456 19788434.84 6879376.348 3373511.48 3053189.12 2020521.737 2153157.999 9754061.019 3200622.412 13175092.15 2239337.827 4883793.328 6617425.727 2212169.543 6419636.937 2101929.566 2939246.974 2075698.862 1516135.122 11513935.38 3604339.616 1952276.173 4259291.867 1967906.196 14543608.42 1277368.676 759716.3485 2440004.682 1987793.95 2910983.046 2896422.326 1031523.634 8712616.116 1998661.901 3215454.139 4486030.936 5706256.998 1661149.811 1273643.253 2722644.383 4634745.453 2738451.043 4331577.958 2050597.053 2869712.849 2576953.524 6692772.423 3848553.905 1946441.98 10053056.86 2444942.013 5987888.236 1701544.965 1891638.524 1336328.64 4836194.951 1872835.017 5314154.906 3331846.973 3106109.671 4677929.068 1992872.488 4550587.667 7092944.379 2266989.421 Guanosine 8057.259797 8914.635209 12888.79631 NA NA NA 69161.63147 57825.31131 50108.4137 43486.52176 51345.12956 43429.84614 39856.7091 24092.12008 38533.24798 49308.1517 47072.82988 43296.69918 48667.50644 38821.93993 41319.81444 42081.51348 44451.40778 42343.23239 36111.81679 18290.14276 17134.94411 14066.13309 47730.55092 106663.862 64138.37162 55775.23018 49494.00251 31143.04505 91548.74578 70708.85729 141543.0665 4696.858191 14035.47382 4962.115116 22961.8333 33045.74381 18566.27987 48197.10899 64767.07995 59194.87764 100444.7734 22096.65136 82831.62375 89695.23913 101171.2366 119222.5428 60985.48481 69863.22021 101454.7359 220868.3605 364515.4103 444959.0363 77248.56411 331863.4878 58349.42104 41188.66533 302705.5004 29716.36023 13214.35337 55346.67113 31336.98199 77332.74306 34560.94928 284627.4421 82750.65722 62343.53908 18359.38881 19290.21198 71306.25176 42910.3772 NA 5040.852429 5820.417334 53604.23077 100787.2171 37775.64012 110056.4998 53719.52483 47981.74299 140536.7622 181245.9892 183415.4846 110027.4052 25139.40037 24896.95552 23045.3636 39055.15575 150827.8412 20577.26236 14102.06939 72264.21246 4112.803348 7063.756897 35061.16267 144483.913 65941.95206 173622.7814 117350.4255 69350.82921 171513.0055 82811.90772 154896.7693 149678.6884 12420.83619 18107.52155 27819.07305 123319.349 129283.0309 50001.9635 117727.4151 34348.43953 61879.89443 21857.53399 69143.40155 6880.543635 7246.192436 2318.291983 3691.894113 36387.29294 49313.98293 38805.4848 115563.8123 21163.7105 70778.16921 14574.69087 39152.26569 14695.21092 67135.02403 99802.83406 45184.93641 NA NA 23466.73118 155811.8599 80484.72737 11659.39922 35479.9607 46859.95314 21845.99035 37655.26898 18128.2317 17904.37911 10944.03529 NA 35993.11694 7427.888487 4422.473636 NA 8799.565692 9868.075747 25389.26775 13098.18783 4788.631084 6432.869396 6897.956092 26753.63505 14863.52237 47399.75937 68529.45888 25689.56127 143309.6266 27068.63216 56160.94885 164375.8423 151597.0945 183998.2378 63957.41143 52080.56215 20689.27681 24615.75412 15743.91448 36957.69533 19648.58278 29821.08983 31731.49148 33506.50018 26275.41775 16706.6018 67985.14712 11665.36627 22736.08398 N-Acetylneuraminic acid 27113.87775 57608.51654 38324.72453 29441.88109 47601.82895 43055.15037 76994.48828 58595.29245 62661.21141 60451.56346 72596.79179 65704.04567 69498.21048 74233.16235 69064.92946 64861.91389 62561.12251 61654.35352 64806.82752 58827.11102 62863.27616 57375.70855 60923.82458 70976.84647 68215.62249 28063.05043 69288.88358 113619.0299 61375.85794 34930.48605 126943.9988 35063.12635 141286.9991 64475.07103 25908.6828 61727.98369 158719.4472 85774.15248 154842.9439 60859.84864 31706.79912 160615.114 74666.62243 80247.53016 38875.28871 141987.6555 63284.67751 27229.96538 85528.29738 73058.68559 37676.2727 105691.7362 52139.43545 52853.2757 65841.87248 57849.40364 63374.20495 154942.9038 65845.54429 90695.73353 26082.17183 219659.2782 321785.8235 58374.39949 36511.53868 155770.9044 187066.0972 101970.3786 61489.01281 98287.33041 57260.53152 89840.96181 50804.17855 44329.88706 90340.88281 26195.35313 22458.63756 70245.72857 82814.40099 36129.9705 114335.8144 102793.0382 167869.4319 106260.7793 38183.27302 178224.1407 226379.8403 51457.49534 175404.5738 198699.1133 65645.21407 117656.8594 33306.32051 94060.72218 52730.96518 97074.70496 91245.6258 36238.91382 59178.66625 48144.82357 110109.5475 42408.35287 86477.05813 100283.1326 55894.59299 62121.20158 54143.27003 63449.67182 62317.80245 73154.25561 88647.21508 43568.06575 72862.09793 94583.81556 35796.90796 125255.0578 42933.14977 247420.8589 61204.27143 106631.946 56016.27641 110860.2704 52641.81877 27502.33983 39034.18422 341422.2637 261486.1363 130544.516 57155.01494 31050.96417 103370.5706 36972.71051 105201.2146 37364.25159 69574.26429 102225.346 27660.36474 31350.14073 71239.83289 194074.8927 202812.1855 32158.62757 67058.90367 87137.6337 26378.52506 152511.8106 26070.69365 102763.8586 133627.966 34220.13352 169970.7603 82126.58316 32288.97565 75451.34039 48315.04387 333657.5357 362227.5439 122950.8363 28319.24119 124213.7849 88566.31848 119963.2477 30154.65961 132012.7872 36548.44461 119939.2174 105855.7254 83310.25412 28893.04959 99048.66009 95588.89157 24984.54698 103483.2664 21021.14621 67389.17293 157552.9096 95269.02788 55067.51998 62692.98658 27407.8455 94509.60468 96625.2244 24928.99538 84092.71077 121169.4927 51053.95047 105864.8931 2-Phosphoglyceric acid NA NA NA NA NA NA 37306.13233 46199.48432 42222.98496 58152.45142 63048.98538 63948.50397 55526.19797 53235.05125 61316.46794 47929.2392 55822.28209 46174.79114 53419.1512 54284.25276 61874.27676 51914.09855 47823.43504 51774.15003 52387.37225 1472.343464 98271.90221 124671.3578 174289.6031 7572.423248 155574.5833 3559.19321 143884.6014 86882.31914 4287.293555 189502.4416 186468.1903 216992.6794 283681.6272 4944.198417 2988.801629 217871.9438 158074.7523 113948.5304 5677.470262 91937.42069 275534.8348 5144.426161 173255.9146 4732.47949 1322.178133 5550.047566 1721.874581 3481.247436 6379.945507 5423.439856 11595.31195 78913.93234 57838.19584 85605.28159 NA 3866.418616 15247.80992 2266.486737 2827.551107 18427.79906 39321.60805 14024.12099 2299.006384 18579.44711 4564.619123 12237.25238 5015.39355 114098.672 99584.56757 3266.342181 1122.064287 236506.9681 141820.1653 4828.637527 110553.0861 208793.0315 185990.9877 173749.1723 7371.147315 123466.5498 112853.4789 4463.211028 100753.7562 172824.2478 6809.917909 107715.5326 2175.13174 15677.73069 1622.843648 175594.5491 100846.1433 3172.656422 20238.33147 NA 10434.23355 2139.86103 10330.04057 11091.62419 437.0643595 6108.234733 NA 3265.429967 2785.976857 4852.757036 11038.25942 2303.184283 9699.77775 37009.16687 2472.759188 4802.25477 NA 25297.40995 5308.622782 78697.89287 NA 154865.6717 101389.6611 1785.858975 2465.82861 98484.34105 53921.56741 171969.6017 130196.8239 2697.062876 56466.03854 NA 48474.83613 1224.18666 3370.145126 67564.26302 2682.312437 185866.7102 111871.9246 191223.7516 282713.6961 3798.712562 7531.105956 145476.2764 2601.251726 135232.3748 NA 148245.5784 177436.918 14730.33333 113171.5187 128691.3751 4193.973845 134110.1485 3695.388612 123866.9699 60412.98949 62875.41391 3839.149109 117302.9594 106217.2211 25644.37828 4598.601017 78965.94796 3194.422294 31198.7744 132437.3923 43302.94205 NA 100074.734 132836.6129 5927.403714 113511.5102 4011.354419 113160.919 142637.7828 101462.5645 2697.443984 125242.7884 3304.999692 66871.49783 77392.27793 2016.699299 23277.72371 55466.1104 3307.138096 119450 Gluconic acid 25481.23701 56778.68811 77128.13174 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5464.207456 3870.21598 NA NA NA 5776.761355 NA 11547.07002 7405.100842 17521.2236 NA 17721.58688 6730.348072 8844.3994 NA NA 13930.65953 9714.736899 4524.218499 NA 5061.104551 2949.978571 NA 10641.58138 7481.660293 9020.596856 NA 12084.99124 13231.87544 NA 6752.189133 NA NA 10466.41068 NA 7722.176189 NA NA NA 10451.20935 NA 12381.57876 NA 7531.19146 10512.97544 NA 4209.343944 11207.93888 NA NA NA NA 4577.599593 NA 182199.348 9729.538876 5181.52313 NA NA NA NA 8793.395424 NA NA NA NA NA 9457.336485 25647.546 NA NA NA 11424.50921 10959.66416 NA NA 11010.6596 7920.334551 8741.307278 16827.20323 NA 9416.786158 8372.236624 9731.531212 12999.03347 NA 11100.75503 NA NA 8633.876884 NA 8478.317044 11117.38924 NA NA 10491.70758 21121.59692 NA NA NA 7534.811656 NA NA NA 7550.859058 NA 3503.954941 NA 8263.248199 NA NA NA NA NA 26555.25279 NA 8921.716406 NA 2262.523575 NA NA 10170.1561 NA NA 5844.611125 NA 5175.318866 5646.905637 NA 5406.461647 NA NA NA 10237.3832 NA 8915.091312 NA NA NA 5385.616842 NA NA NA NA NA NA NA NA 3795.545677 NA 10844.66547 NA NA NA NA NA NA NA NA NA NA Galactitol 436517.3327 129219.7715 131130.1937 80119.77242 29548.32788 30561.20658 40250.22623 60116.19423 45036.9791 46128.26626 42809.28741 47222.16613 51252.30327 40813.98237 47510.69733 52752.47389 49327.66467 50810.91267 54064.16182 30986.70585 37543.5871 50745.38814 57990.51805 50772.65287 41820.46079 15139.28882 47399.54473 45808.65263 50218.58612 21998.2233 109761.1911 30057.48279 54646.51288 42949.97704 8429.087563 23700.73681 15850.44937 212604.7533 161828.5828 249657.6061 14140.99127 26298.58631 24343.03887 11801.52323 17602.09442 24272.77067 NA 8640.01522 23758.73401 NA NA NA 23276.52094 15249.55907 14293.91805 21007.46762 NA 20277.88783 30525.44497 13006.66957 NA 12047.37121 18393.21608 NA 7739.085439 47143.63145 24657.78253 12590.85671 11621.27242 12936.41711 11683.39882 136102.7117 20405.48195 30650.87545 33041.72801 18014.74621 15059.56702 45577.59733 33699.98467 18019.35021 137138.9525 36106.24799 22977.42246 26996.50423 9351.851473 57913.07103 63278.25858 66651.85915 40637.99759 54922.7857 25768.12627 34835.31934 NA 15798.22249 149165.3836 183576.4497 133220.8209 6491.362174 17598.28353 2072.418471 15356.14687 5708.408257 14606.84608 NA 11647.39095 NA NA NA NA NA NA NA 16158.60035 40177.41972 13100.37025 21844.13047 10010.55321 26724.80841 NA 14301.91349 NA 109320.4547 155438.8414 44296.93168 18751.42087 22493.91741 NA 27883.5004 23486.99925 3191.159325 41602.0994 13259.28012 39514.94221 5853.790965 NA 15783.84911 120486.7663 103993.1066 65319.69581 51168.3568 54762.80216 38493.47593 21355.06349 39930.71444 19165.63348 36132.14555 NA 45344.54204 38807.80057 20584.48269 39153.49033 28752.63112 29581.0611 23942.77154 34466.73575 98133.13222 55313.05179 41211.66167 10021.44139 54416.75045 23402.3166 22371.06245 17397.13843 NA NA 21152.93677 15204.89049 33926.78663 19248.92973 29417.69667 18749.30849 17229.02463 28906.67155 31400.10027 31098.7425 57711.95363 83574.91115 29975.1789 138876.0937 161427.479 95011.82975 18679.91875 NA 10256.93208 18471.04951 26143.71942 39718.42325 2-Deoxy-D-Glucose 147245.7794 46242.8443 46655.30347 33015.0546 9676.3164 10874.92746 15920.76756 17087.00592 9573.465292 14537.52438 14273.43011 16345.09018 14773.71351 11850.46072 13266.04345 13314.73246 13706.3542 12256.59523 15125.80039 16543.626 13471.9524 14699.90234 14616.15018 14498.01252 13249.00475 6642.692102 7597.031282 5391.82664 11112.0724 6828.630789 43618.55999 8729.414703 17955.92001 13311.02943 4484.22073 6516.129862 5339.940452 93888.08985 67711.9665 123223.399 3797.893609 3570.824401 8766.256453 9056.218395 7827.328822 2833.199576 6216.828343 5312.950695 5165.68022 4476.526696 3831.249166 3164.038893 8002.497447 4208.636868 NA 3172.756325 NA 2671.48614 2773.141235 4148.169473 3464.342447 3811.775709 3918.567366 6044.969805 4741.196947 5071.238947 NA NA 8127.430924 2420.473159 3315.77983 63893.91706 5279.869843 7458.984014 3702.918852 7387.192725 6881.407111 10285.40309 7034.805368 6355.538381 13617.7664 7989.202543 NA 4820.533098 3255.802985 15582.33704 12348.65715 31420.88877 NA 8011.983423 6323.691118 9777.423028 NA NA 68311.90559 71904.18093 46284.78024 NA 2429.480834 NA 3523.990675 NA 3223.650679 3662.148577 2815.272424 1552.277025 2648.565461 NA 7107.159234 4317.630037 3873.383186 3126.143329 3578.169993 7826.744446 3889.775194 NA 2962.120879 7454.2507 NA 5739.009046 NA 37844.76925 53562.74689 24126.29136 4832.706952 3414.993673 4084.169711 5124.125004 8917.33863 NA 5973.091578 4959.862796 5965.249292 3697.965864 4004.582041 NA 62837.72336 47212.80408 NA NA 14326.99091 16250.58513 7080.321285 5646.814852 5782.872731 NA 2320.837017 5762.071332 10120.15147 9937.682495 6259.01535 3692.668214 5073.309263 6681.581991 4917.029783 9977.299964 5671.538093 8284.921135 5035.942282 16243.61138 4340.593445 4376.724439 4724.363726 4128.510996 4077.829967 5286.607003 4312.895841 7380.719576 7457.346385 NA 3891.698131 4720.36182 NA 5696.441223 6566.703732 11499.38285 16087.61034 14772.3947 59414.74355 81939.81424 28258.10499 2929.754556 4090.321271 2595.444352 NA 7256.903163 6489.206426 Dihydrobiopterin NA NA NA NA NA NA 6524.027608 NA NA NA 6940.983986 4163.265188 3547.926908 NA NA 5234.460241 NA NA NA NA 2947.341393 3515.669344 3890.212035 NA NA 4613.291092 2960.319014 2556.0594 NA NA 1530.749277 7187.552234 NA 3477.764965 5260.725314 NA NA 5016.218858 3827.767763 3960.104558 5632.05197 955.3062001 NA NA 6170.507782 2300.805998 NA 4599.765082 2020.06249 480.6954533 NA NA NA NA NA NA NA 779.2477484 NA 1211.488607 NA 3886.76666 NA NA 4030.645715 NA 2664.091444 NA 1884.337294 NA 2594.471831 NA NA NA NA 8909.648693 NA NA NA 6092.221166 307.0670918 NA 1739.547482 5455.13523 NA 1777.538027 920.3796446 9573.774969 NA 1233.22643 NA 3422.087795 1791.034714 2243.335768 NA NA 308.5996886 1164.86808 NA NA 2341.194852 2147.994083 NA NA NA 4390.96569 1980.807925 NA 1515.82992 4669.290234 1013.152203 NA NA NA NA NA 6976.2401 NA 2305.145266 1758.078333 NA 3205.080855 5774.934812 NA 4253.299154 NA 5517.228349 NA 1990.916653 NA 1148.41779 NA 2684.425758 NA NA 297.2641296 5475.853312 NA 4811.320572 1248.38082 3673.236566 2993.163494 2627.207864 NA NA 1959.330902 8309.947513 2661.647807 NA NA 2297.327861 1463.559677 4285.299457 2834.823916 NA 6948.514054 3331.834155 NA NA NA NA NA NA 1318.448341 NA 9393.839965 2172.606995 5401.306235 NA 418.3569187 NA NA 1130.615329 NA 739.8832635 2000.089313 5842.701365 3948.231416 NA 3846.687207 NA 1445.295211 NA NA NA 1905.32814 NA Adenosine NA NA 15028.84442 17495.21943 24304.55448 20845.26696 111723.4301 90955.40243 118480.8735 87573.83763 127509.7185 59025.11776 40031.52901 35669.45667 37342.36067 69965.48446 44469.59402 82101.32858 103481.5926 56199.58072 58500.19263 65565.96236 73737.68032 46089.26999 56008.27556 30254.93803 43413.08085 40899.69394 26081.81877 18785.71506 28374.78639 13101.45374 20163.13513 25196.51113 15278.78812 23358.72519 35599.77927 34433.24221 31763.2835 30414.17817 32608.29416 34976.29237 41360.26176 58963.87157 15427.27557 47114.64632 13224.46418 13432.20849 26685.13894 72435.18244 28526.84915 63970.33878 13356.10409 96724.89244 118044.064 9479.610616 53577.62312 29429.19185 100043.6072 89484.84043 55513.58941 47597.32866 42448.7897 14422.37347 4999.139933 105236.4266 72714.90101 64107.94348 8766.026262 43608.26568 51706.43169 36740.76785 10363.36056 35635.78117 30566.80238 30720.62787 9347.367414 26792.91615 34973.74576 14263.25786 121709.2901 32152.63808 36359.64069 35051.26005 15042.26984 33339.59115 35630.14119 15593.2948 96982.69243 46811.92935 9003.541066 36501.39779 28830.24577 63625.82458 16909.17226 30883.68879 49722.24709 22970.44833 72791.95289 262144.6986 67448.93906 26087.26893 81459.72399 61279.50469 13743.89262 241531.7365 27203.3941 45838.45433 66146.38872 80099.75678 43935.21092 35651.95257 40875.86565 77102.43334 15899.31902 98066.66055 19667.87386 46493.04195 110029.7284 50371.99933 16340.61444 48450.30883 42764.23524 46658.01144 11845.35619 34301.65611 31655.03655 26059.05131 25369.22325 18659.88995 27316.68986 36653.50607 40224.59756 15883.80551 49479.27909 22818.94985 21323.63429 43790.02623 55620.75289 192484.7551 121406.734 12302.20806 55984.02337 25762.66775 15279.33632 23950.73483 15578.63408 44031.04164 31582.10412 6510.054279 41717.78721 39994.35419 17442.41643 36210.16373 31893.16202 76308.37251 108618.1931 70642.10733 26723.14792 44185.12092 18043.12043 20877.50443 10274.94909 42957.24129 11674.25706 44485.63147 51663.33595 53557.64781 16741.57604 21710.35873 23023.14319 10211.02119 16987.83116 18480.69187 20474.31001 61333.51897 42048.60131 31651.96229 41582.47728 22302.51356 30824.18782 38952.3291 22744.26084 44881.52186 60669.81235 9002.495798 28878.83448 Malic acid NA NA NA NA NA NA 26891.62337 38213.50583 33951.42277 34705.67572 43977.25176 52014.8377 78130.6532 80144.44646 75532.56028 79388.08551 71996.36683 53363.27575 68224.22215 81955.17597 82845.37323 87897.99671 85900.93789 72352.78129 78528.36607 12405.83099 91267.6848 127524.2154 79328.47306 14754.55949 334360.2995 33920.77728 90181.45888 48396.45677 18417.06025 37675.39083 61977.71875 53705.12725 69176.58381 23013.587 19503.85866 53230.77154 53202.60115 60585.10531 18153.21969 40499.74859 59720.98736 16634.07557 32775.41588 40421.44037 27980.83118 45400.70699 38289.7904 25125.36214 33646.51374 46466.75531 31426.60076 64100.11521 71239.28676 33346.85957 19728.49979 88556.97207 62225.19371 44204.30041 21041.39588 57394.37913 43489.73336 71648.66769 29477.18889 66997.65371 29700.57203 51723.22529 44292.73421 78777.42223 57602.77577 23225.49953 24360.65513 83250.49415 77201.53093 33857.04398 56122.46352 105836.3603 61289.64496 90097.84497 31653.04503 70138.97802 43961.61727 18220.38754 74036.49476 119165.9691 33490.32402 70667.60574 25075.29766 33324.72686 37306.69335 88806.50085 39432.92848 40726.70532 51081.58043 25381.13049 85883.07752 21181.99875 45484.45491 21665.2983 17570.14833 14706.47009 19587.46685 24316.78855 36180.71983 38511.39895 41439.08473 27276.07488 43388.3902 64424.39385 22049.36597 8894.094505 13831.76404 17374.94051 71477.75247 68845.08104 19228.85017 74614.38864 94537.25189 34217.35976 19672.88476 196997.9931 121969.5411 58050.79346 70096.30724 12004.75654 50540.97701 25798.17237 76384.03145 35117.25798 43390.17549 37437.88949 13327.29298 42607.71781 26098.35842 68914.48218 50223.78078 24594.86221 32946.94197 54116.87546 34500.21455 31354.66251 7895.231569 41169.692 76225.83385 30428.66312 58646.59587 102955.6226 36432.73123 144401.1466 24958.48532 103414.4191 42784.80388 66438.15993 27722.4735 85219.91563 140458.3735 83383.07077 17040.94519 24431.53026 30051.05177 63563.64016 51606.023 151268.1305 17126.72652 27882.32708 47913.85025 22397.76076 76294.37404 19603.75096 98128.04347 51348.73713 105863.1395 19786.03891 136490.0485 32103.92276 60860.30326 71783.63454 42450.4328 103273.3007 37042.41623 44077.58579 83043.52763 Methionine 32077.90187 58503.9211 22745.07574 7105.251828 18621.26564 15337.31533 912701.6379 805880.9101 768673.9561 717343.2694 703100.7161 1042600.389 2125924.364 2405053.333 1897814.618 1115920.398 1803295.155 796903.0644 1024980.657 1580515.713 1688105.866 1631904.988 1372221.617 1866874.554 2007748.851 906441.3508 717488.3117 3059322.17 287676.6214 930357.7557 1261094.088 865843.5351 969587.2287 375163.0279 748470.8026 236595.5841 773912.1118 337012.2454 1226514.005 839559.5851 974842.0352 646971.1092 217184.8235 826637.0483 1626641.505 2442502.502 611209.3196 776302.5669 1080202.647 994677.3283 4060701.729 2009910.25 2463768.475 1243842.585 640001.9381 2810426.225 975167.2217 927921.0206 2702863.268 2401276.924 4259978.762 3835234.704 3522382.413 5897043.489 4006478.338 2298598.713 2508455.794 2494836.053 3335850.196 2285103.997 1388919.538 1169051.716 6346836.442 599233.1814 416683.8105 731394.2053 2567116.92 2176119.933 1522818.968 4265731.485 3253480.599 3136683.681 1196198.685 1782074.706 3718064.774 2148729.739 2276228.025 1154674.295 2038520.69 3053706.197 4128411.508 2228671.042 3947203.769 2492568.18 3116632.707 2959540.739 1846631.436 4379227.985 2116641.074 2133988.071 2731031.044 3228620.416 2046097.869 692604.4093 2073658.009 995845.6288 2977975.748 839003.2917 974857.5986 1792872.186 1754073.545 2691094.218 1144128.188 1679527.319 5083684.636 1323725.937 5202897.146 1728909.513 666586.9781 604508.9769 3374410.398 7140424.594 3490974.336 8538104.747 1873996.84 1600128.259 1867093.525 611457.1002 690012.382 1965516.132 2768998.518 5682417.4 3398029.568 2772063.145 1832477.621 1375989.352 1121998.771 1410507.643 908550.9623 1194689.172 2715020.486 3022831.091 370172.1745 648578.0109 1340744.235 1160907.304 1245374.014 1592920.208 1319848.683 1190451.348 1239912.128 1768669.466 3648705.1 2895004.799 1452416.064 1825101.948 1688130.742 2339538.167 2050128.286 3285955.605 1267605.634 1324427.453 850393.9599 1870896.819 2296102.361 1580815.681 1480113.755 1626108.669 1034790.869 2735056.277 3070298.225 3567908.65 647055.0983 989637.4194 1172205.941 945600.4143 930900.1865 812182.4949 1125316.166 1749793.17 1336294.051 1422267.346 3709113.021 2251164.731 2144703.233 5906667.952 2123192.147 Deoxycarnitine 122616.4082 25574.66752 34701.04779 14310.83729 NA NA 9832250.066 11771379.03 10490265.96 11662082.36 13339052.8 14275940.59 10441738.68 7237387.811 10572203.35 13098932.36 11270478.05 14113294.68 13654244.92 11645497.79 11774992.17 11952773.21 12622009.42 10470358.48 10498154.37 3762999.044 22603717.97 16313495.33 8156080.346 5139805.338 11034101.51 5949899.477 11331031.75 13792014.42 4122748.702 11885007.29 16879715.39 12764208.29 10608358.22 2751875.819 4070502.658 13385109.94 10233799.98 21642263.33 4430091.213 15588782.14 10990176.16 4431679.56 17453253.69 3026574.439 1567105.824 5244849.87 1707587.248 2288533.088 3029875.492 1280432.986 3884951.627 8964313.971 8718671.628 10025100.76 1271806.145 2972937.675 4926874.224 1619596.342 2204153.79 5820619.147 8806205.029 6439740.944 2029430.403 8413290.45 1520562.345 3067110.601 1940548.844 8580618.716 7133429.77 3036937.591 3243451.805 12782659.17 16245279.38 2360077.663 10158065.5 10474635.57 19645012.08 15462541.94 1440168.688 19088519.61 17429769.87 3814139.882 15945687.2 13684601.89 2080822.734 11944219.77 1062191.1 4988701.022 1571660.924 8248497.155 11109870.45 1421259.464 8953611.071 2690642.689 6920411.219 2099443.925 4899313.203 4143654.876 4291471.445 2705303.746 1780247.109 1948136.81 2617920.944 3641816.843 4735774.461 2075594.066 4407246.45 9709240.255 1903393.574 4909832.008 4030340.331 10316843.74 3331210.046 11405660.23 1191500.612 20501762.61 26540970.09 1321248.264 5328017.405 14236570.16 10122445.03 16376050.56 14227201.85 859861.1649 8746663.243 839107.2643 5456404.771 1915728.936 3076160.916 11613875.42 3600342.412 13494494.03 9827835.81 5862535.955 16701889.06 1612390.182 4963601.934 17866560.65 3994736.303 6824669.297 2744572.667 16241612.26 13244115.42 3699371.723 14776865.52 16867531.95 2103605.282 11898739.05 1670658.583 8394306.451 10315591.74 8122982.978 3715645.087 3723920.63 4809951.269 7583153.891 3594236.929 14048651.49 1719156.629 6086040.624 22488073.49 12908112 4844834.481 16443130.36 17483854.54 5541094.373 11106664.41 4462228.711 10967574.33 13736274.24 18201139.24 5664133.344 16604526.11 6473880.308 14492243.51 16181209.32 2987876.483 5670853.116 5008309 1384620.873 6941830.789 Methyl 4-Aminobutyric acid NA NA NA NA NA NA NA NA NA NA 23189866.09 38947201.63 54336187.44 55375582.6 54224627.94 40794593.32 53191887.34 35391644.21 37618458.5 48544755.51 49363462.99 50121581.75 46467368.13 52420516.92 52262418.58 NA 44201912.96 40232348.5 37374203.21 20362706.96 NA 14646647.1 NA 7571012.13 11716084.42 17965798.72 NA 20018356.07 NA 24950497.33 40097977.55 NA 34370812.62 23080015.3 10771544.33 NA 50631823.43 NA 42516732.51 NA NA NA 57128905.92 NA NA 57650744.57 NA NA NA NA NA NA NA 66915455.88 57129483.82 NA NA NA 51641700.33 NA NA NA 49121843.15 63358198.81 NA 73190181.59 51645767.21 NA 55615554.98 77537746.37 NA 78132458.03 42432453.33 46573016.25 48825905.71 57310843.72 NA 29524572.65 NA NA NA NA 45464094.7 NA NA NA NA 40577857.7 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 66678863.12 63980402.29 NA 40655289.23 51618098.35 44190694.57 NA 32077647.41 NA NA NA 57279552.14 NA NA 37968659 40407821.92 49438574.15 NA NA NA NA 43883784.73 NA 44750107.3 NA 54922035.13 48506548.82 54174095.6 49197642.01 NA 48212147.99 45554078.69 NA 37820649.79 41557374.97 NA NA 48090447.64 52419780.03 36682864.06 NA 36113807.81 NA 48670767.55 50807384.16 NA 54987991.8 69813976.59 NA 65200205.73 67794775 41826101.24 35059311.78 45425129.01 NA 44333080.19 45795640.51 44913363.03 41395268.77 NA 42488332.2 47175080.96 43461799.91 NA 62924819.23 56460317.39 Urocanic acid 1559475.923 1572518.979 953714.2238 530984.9135 881338.064 507308.1155 89593.68473 84476.13245 62999.03067 64679.19296 192256.0708 345415.2526 281303.8163 158647.969 246670.2307 323053.259 256911.6257 742388.0358 323994.943 232871.4843 234303.4583 272542.327 298783.2013 221278.0122 227966.5239 123129.1779 171907.752 82132.96233 169139.5266 61141.49067 141251.9458 170231.8891 228031.7961 29906.26933 40642.79745 97488.49275 210723.8929 157487.0307 177327.3756 732302.7205 196321.6045 190660.9799 92152.34538 167909.9624 54435.16667 281417.1064 223576.3462 56689.34371 159376.1665 551772.5174 491936.3129 249727.5424 227425.6508 227588.6928 122525.1779 162414.2182 132956.8022 155294.6006 199028.7035 257986.6455 495977.2503 214050.5358 216860.4751 698614.6435 93591.91718 323069.5665 499078.4142 684983.8588 142627.5701 443595.2045 243670.5712 317616.5255 93034.77902 128936.3244 236697.8353 258899.5236 158663.397 111642.6322 352387.3699 138977.6261 30299636.96 196432.7944 126260.1054 145219.7483 80212.54499 79341.1171 159350.2329 45105.3349 298876.0205 214912.2249 82745.47342 220202.3156 1115124.151 253558.6492 337328.6965 117618.6215 165955.3498 48779.39886 343079.9182 289508.699 376999.9494 203565.487 129543.6945 131535.8998 143685.9296 162640.6173 254627.3784 353149.4043 595134.3636 176867.0407 374714.733 356263.5405 112181.8044 272184.0793 201547.527 149524.9072 332617.1078 137363.3968 297749.0791 238436.5637 405923.6948 147432.0683 1015912.605 636148.594 150095.5157 204490.9699 84267.80262 82317.72513 84492.61499 269695.3526 153200.0479 1495218.775 188421.0533 261714.3648 215437.2384 189820.487 174734.3608 111245.1445 161417.0119 203074.0195 186403.0266 241393.2123 105312.6935 353154.9194 251848.9171 122714.1863 35943.84931 76707.25044 98026.89756 127489.6775 112417.7568 167501.3846 97477.76922 95834.60656 217741.7415 34326.70484 159027.8205 94241.37529 147271.5087 192248.6702 78089.14374 686633.3662 94934.75946 111563.7604 123571.2898 139917.575 206841.5212 152640.0503 540855.8023 155875.5084 124395.3759 121181.5291 121554.4514 78738.42595 96181.98911 173984.5098 134607.7498 227626.6501 108499.9954 267047.6514 77388.4841 299049.7028 141339.4638 85137.83207 509312.3556 52793.90526 151399.58 Trimethylamine-N-oxide NA NA NA NA NA NA 340491.7631 352148.067 358272.3569 324829.3784 239029.2979 139867.1307 192612.37 196866.0459 189056.8354 199318.3901 178661.3021 146844.7115 172345.6414 170783.7058 165423.5458 126213.4493 196574.3729 181934.6103 182778.4559 128341.2827 28659.2825 42879.48237 116653.4839 452494.3404 154169.5311 182677.0167 58448.07198 104967.4644 276032.4469 60219.70293 49619.58866 6906.38723 37898.22708 87906.99067 72731.76821 29003.03895 27607.73941 145636.4794 342186.4285 78426.89517 38885.64467 326936.5956 82011.56515 4300.230459 33189.62378 6612.272122 111294.5447 6282.606172 2352.238198 7949.085288 803.7357016 5030.89535 31632.01624 77677.26184 63190.73309 13575.48826 20279.6512 79335.13034 169797.3429 19479.74868 29242.54266 5392.19798 66866.23773 6080.914002 8386.719415 8523.888354 114932.4275 62166.37609 24436.17262 118776.1606 337941.076 108102.7164 108941.6343 283355.3791 61965.57064 145132.3591 41590.68244 39597.84449 112753.2381 20394.57717 16425.74727 380158.2444 13934.55685 35701.95936 117311.5884 282940.9425 137332.3629 66836.59521 36342.06986 30452.89608 19203.43545 292182.5158 16554.4417 5625.766062 8105.851099 73166.7761 8666.59744 NA 7444.521022 3450.186883 80576.36739 14043.65915 9683.402567 1631.384456 9924.383447 57873.1675 1893.527813 13868.12158 25779.84614 2667.992354 19584.33757 NA 28614.15399 362691.8315 261621.138 80962.37491 123984.4445 20888.93031 478870.0842 176536.1081 400793.3087 359668.0994 697516.1775 31471.59763 37408.66696 14143.71555 37738.34764 12603.27663 1287.638048 8464.355835 228979.956 88616.85694 41464.3675 330799.3823 157831.2675 90222.44895 826712.8117 108885.3716 529890.7147 224298.6094 333495.1959 297159.5729 96931.36596 475423.5412 113616.5393 85574.14059 424585.3351 201661.7817 108498.9173 48145.50687 20415.36761 65842.12728 245832.8582 57846.53725 140963.0144 64637.31603 277239.0878 37023.21497 146932.1875 93125.61917 51121.53277 66401.98692 186646.5577 36658.64295 43467.85075 192633.4417 95194.9779 452025.661 179889.6304 64597.87201 87641.39605 425554.2422 64904.7028 112763.0368 22733.84397 22070.11374 76791.6205 57149.50644 54180.45319 304453.2107 206246.658 Inosine Monophosphate NA NA NA NA NA NA 482477.2485 498077.9871 510172.7 563805.2665 517300.954 526415.8574 540710.557 466608.8772 487166.1361 468418.8073 498491.2595 508612.3503 502906.8066 493416.5364 522681.354 480584.5827 505153.2445 519638.0722 506213.7131 NA 929496.0168 786940.5544 548014.9163 NA 644718.0009 NA 1120921.891 874341.5978 NA 2183784.667 2685861.252 342193.2404 551516.3017 NA NA 2706455.254 1718741.156 436220.3042 NA 635634.1785 2656504.99 NA 3902318.668 222542.6026 NA 266184.0058 NA 228357.2608 291939.8709 NA 87012.50352 573341.6836 1975970.698 2678442.67 NA 399149.9631 882884.9999 NA NA 1820933.333 2235090.112 510055.0035 NA 712575.0969 108991.2277 45569.52963 NA 532306.1336 1051140.394 NA NA 456530.1078 594583.1045 NA 1269445.391 1172267.192 771152.9269 485056.9834 NA 1274609.294 1731665.875 86504.75997 2962473.245 3139191.619 NA 777493.786 NA 372636.0861 NA 2278028.287 2756488.946 NA 381484.2797 98797.78763 549073.2277 NA 525221.2537 714539.2666 NA 409498.9312 NA 190506.8925 158814.0333 34577.94265 136517.6593 NA 280123.3039 381142.6156 NA 139230.5996 NA 197818.3765 95041.79454 703598.7632 NA 395479.5643 94209.66805 NA NA 893460.2847 341198.4617 1047152.326 600524.05 NA 582560.0938 NA 383513.6382 NA 407115.4231 2743912.711 NA 331858.4738 677418.6927 2688838.768 3600222.2 NA 113055.1645 2376482.275 NA 2467284.935 43077.78818 2519697.072 2067026.74 NA 1909921.168 555970.0208 NA 132223.9909 NA 405704.1713 437745.612 559747.8959 NA 301946.8181 616699.2458 644652.5061 NA 1141422.535 NA 388088.6316 1671620.449 495796.4378 NA 1337044.523 1209695.744 85885.36289 1161110.484 NA 686548.6098 752802.1173 569494.3756 NA 1351471.501 NA 1571156.502 2356997.816 NA 648701.4133 1893679.707 NA 1307326.652 Trans-3-hydroxycotinine NA NA NA NA NA NA 13452.97431 14068.17586 10139.95635 9013.31378 8371.602204 9681.314558 14918.30339 12788.54685 14730.02248 13400.82733 14362.62934 9468.620458 7645.812209 9906.307327 8834.969378 8920.028487 10078.03061 12573.00413 10916.85045 38972.69242 39368.88313 62330.27992 NA NA NA NA NA NA NA NA 31708.4004 NA 45809.24285 NA NA NA NA NA NA 26268.28247 NA NA 58562.82321 NA NA 30775.8291 NA 15754.5453 23734.61333 191656.6662 213401.2826 117450.0918 NA 30516.0248 NA NA NA NA NA NA 20152.00503 48052.71535 23755.95387 34711.25607 53157.22357 73633.96306 48124.55785 NA NA NA 16290.86874 53343.9807 43727.84719 NA 42239.42133 NA 50477.9308 37800.51135 NA NA NA NA 167434.2944 182316.1622 203823.2649 NA NA NA NA NA 25577.58859 NA 18833.908 11970.2329 23665.70626 NA NA 11929.1974 NA 10250.88712 11433.5595 17495.87385 29583.77144 19221.99129 NA NA NA 35077.87065 NA 10394.56919 NA 15797.58894 27000.28304 30225.5978 NA NA NA NA 48153.21424 57656.1657 43661.2363 NA NA NA NA NA NA 30552.24721 34082.43381 38722.04773 NA NA 18946.78011 NA 44554.24145 NA NA 21375.77993 NA NA NA NA 163738.9043 245725.3365 188035.4029 NA NA NA NA NA NA NA NA NA NA NA NA 169037.8194 153039.0646 130056.3011 NA NA NA 45126.67231 49348.99349 38549.19559 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Phenylglycine NA NA NA NA NA NA 69319.42975 75618.85799 69792.64661 54418.97889 62839.73955 62238.94498 64982.80356 67311.78491 66446.31445 67621.24953 64618.79103 66744.30422 68155.11064 65508.45442 65289.26657 65363.71808 68376.34507 66198.51122 67451.15042 39846.72369 30263.79472 30821.40085 35632.0842 41162.61779 23040.36432 142342.2928 62520.67617 108673.5116 131483.2331 84634.24935 63582.40649 50977.25552 49769.70321 89900.32863 40739.44647 40336.9956 33145.93452 63462.21013 81984.31935 45348.48731 76824.49882 63850.10062 31854.94429 18826.10465 72718.35233 41005.25589 50958.45062 NA 16102.7389 94944.6518 30537.98982 43618.23242 34581.21648 18759.2324 28914.01424 21866.31753 16547.26826 36344.20735 108465.978 38670.66785 56859.85706 28741.66256 97490.99884 33628.83697 24707.42223 39333.81272 107944.0127 57663.62753 25916.5637 103989.1725 97759.59937 68184.4113 53521.65449 106457.7209 96004.46013 76480.5708 59867.09725 78338.63813 114753.2524 33676.14896 NA 49794.90652 27078.22886 47315.83467 61707.06794 48877.9005 28403.76916 14405.34633 55063.82524 34228.94261 27511.73261 133415.8197 44884.02403 15084.55807 41949.38311 84274.28705 21254.869 NA NA NA 40820.74169 12252.61514 15220.55138 18681.2082 14092.76355 35150.34775 19483.31706 38977.00151 76559.45421 15274.85689 59339.20431 20237.89556 41307.95257 54999.79221 64220.36775 24585.27594 24924.7828 30550.5555 32646.11619 16332.14809 32015.86273 41585.50709 70540.35738 59512.38528 35608.56375 34233.57562 44769.65978 37301.4904 12457.50268 30140.60197 116907.1817 58261.73423 32841.7962 28415.77781 51990.17594 22390.61253 55997.1018 NA 50428.8821 27895.92271 23860.81352 34326.57568 44366.76912 66304.8169 28038.84421 21522.61144 39541.78641 17141.42471 49632.691 36662.38206 25302.34181 30889.75209 46114.71815 35636.89077 106836.6351 64923.9267 176469.9749 18390.1325 40261.67064 38534.20372 26663.82829 43417.11659 57004.3158 61486.61501 76847.02985 194373.1951 28188.03476 78316.40636 60700.91384 NA NA 28686.91069 67210.59678 91784.27228 40004.26443 30621.5797 69159.96046 61710.32271 21888.82949 27835.70962 34279.00819 Trigonelline 36912.00491 46846.86903 25727.61339 8381.245703 17069.2084 9643.099327 1453650.335 1536024.338 1431732.491 1267971.167 1315249.39 1241456.543 1041802.063 908422.851 1123397.016 1333720.361 1120807.395 1321790.644 1271309.615 1094334.444 1108558.641 1132241.924 1250072.112 1044469.415 1074467.398 163377.5678 238728.8295 254085.5521 1523688.297 2897554.599 1336372.338 118085.6841 72161.05841 170129.9375 203911.4225 242838.0345 104352.491 1928079.608 1146193.343 2211046.798 112071.1321 103329.8468 434567.626 634486.8917 559731.3202 244252.4813 559242.1637 122675.8602 651225.9958 83518.71581 141253.4917 100696.7857 225240.9428 79268.72493 94344.7234 1682476.986 965292.6939 1223527.731 337176.178 73456.75668 66977.64941 113840.2701 171324.4814 70576.56622 1823373.161 1085745.178 1435596.573 139974.0324 30619.21881 120141.3264 152927.7995 243684.3191 584057.336 374688.7697 270240.09 670537.9685 7670352.179 3892371.003 2819438.011 138879.6359 320152.4824 339454.056 181121.0907 205135.3367 93073.02845 179363.3695 127019.7972 593593.1735 590930.555 704886.0694 420940.5743 380043.416 269873.1859 168626.4779 1319411.92 1362133.405 1060972.666 240887.803 154802.3059 76044.87784 1065417.6 1990867.377 695865.9269 368166.5581 454222.7646 265575.9066 641351.1591 250824.1011 337433.6991 65765.16885 74619.58753 74656.25352 159436.1855 242942.3103 306027.6417 236568.2023 621006.8774 357469.2039 184993.3546 357357.1929 167963.864 334396.7302 608668.2888 390044.0772 108538.7434 176309.711 150026.5926 287422.6227 383044.4007 156986.5947 191436.389 97607.39746 156126.6452 103238.4154 128053.1564 535609.1723 1061755.395 504428.1773 312752.4778 808796.6231 1027618.306 113114.9231 321958.994 462585.6559 248605.3403 524307.3336 468820.2586 647172.3529 3980853.089 8329533.829 2139443.12 181874.8895 181091.3285 163464.9976 63832.76692 130490.1421 39639.60121 1352918.016 4191618.119 2108367.206 231585.2931 180630.3608 249535.4969 481855.9529 1022501.918 901362.7899 1944188.531 4861236.408 7618122.098 265831.4085 274087.9193 191495.0214 827000.6736 2819955.435 1487846.415 61669.11464 212276.3105 277441.0197 1584812.841 2394279.654 647176.13 422815.1457 78571.16288 171919.8254 753103.1585 862498.6599 872409.9818 Betaine/L-Valine/Norvaline NA NA NA NA NA NA 51341482.9 55330719.76 53418330.57 53242480.56 53595599.89 52568327.8 45134369.97 43443804.34 45203175.4 50687015.16 45431899.64 51978129.31 44312402.85 42308698.68 42390414.75 42291383.14 43204931.34 40852605.94 42180558.25 42855353.57 51622186.34 41602180.31 53133749.42 49463224.79 40097356.76 50224664.31 38878412.58 54635553.97 45695623.44 52660367.64 36843678.67 52171528.02 40221493.06 41433422.53 58008691.44 58281461.05 73736074.53 53464416.55 53777187.93 83281593.05 72667440.16 53173497.82 42355454.04 42075931.32 75128942.35 63791873.41 28353994.55 33868713.68 39809169.11 34147948.76 52906469.65 81880813.65 34065623.18 75770072.14 64113398.5 58199486.2 57119911.53 39964434.13 46260218.86 56176398.57 86523345.59 56839277.8 38435840.3 54885677.02 28748439.85 44550473.48 36350799.29 52954471.21 33863871.28 57006285.04 56651428.06 63163604.61 36641889.2 43657291.07 80532556.94 56489720.31 34048847.53 44638362.75 34085014.96 33711252.92 90002458.57 35019792.5 29695619.73 59384579.55 37076422.02 59245375.12 69333715.07 60712860.48 92055190.97 56007771.49 88697978.81 42606513.62 62445709.8 30485810.35 63882851.26 80295478.64 42457779.59 48149410.49 53735191.63 38391244.85 53623388.94 23212962.14 28283533.95 36361150.34 40447584.65 21144489.18 47266899.56 82428780.66 80053947.04 39485000.71 75439289.2 58875312.95 39356392.07 71341791.01 65908856.12 49144246.83 64295074.23 82377200.26 42490052.37 29025365.57 42155743.3 33669488.94 42548760.5 45431512.72 80977428.63 62125265.24 36839085.35 21617056.65 30124013.92 23518153.86 41509082.57 41329535.76 29417143.84 52718354.51 46795780.23 91901325.48 40085373.11 34722183.22 37406729.19 46043119.98 39775698.8 47704719.03 55098294.7 33766021.35 67614565.91 30452981.58 38167454.55 59087933.82 29810213.97 33495062.98 53948263.62 78524020.88 36593683.68 36894404.33 37664275.69 64765905.94 36465647.1 78998825.6 40789302.73 41661728.7 83313576.99 47006216.24 43846382.37 90917545.09 35523490.46 38454845.93 40496555.01 62570314.85 49261377.49 29459047.53 38281099.07 38452563.77 44155859.23 48597728.78 83306398.07 30868761 38641056.2 40119184.69 85839673.7 39237963.64 41694001.58 3-Sulfinoalanine NA NA NA NA NA NA 100194.7968 78419.50481 94578.62495 92244.43732 76203.39496 76408.36597 80617.2904 77765.73637 76792.35922 75594.24421 80523.10206 69781.27542 73483.53202 74107.18185 75297.85596 65635.61786 66421.79792 80682.23253 76746.71177 33883.35203 120794.8719 161199.9189 67709.2031 40828.4349 79299.572 171403.1175 92439.6831 83548.37391 49713.45594 66153.85094 97135.61463 71148.53057 95341.14727 387660.8134 49032.68803 80702.60761 45267.21095 67694.51639 51219.65846 151622.747 61813.45278 96436.3963 149909.6968 28531.06161 24660.70476 30105.42239 49184.25479 22917.52101 24697.33388 71258.08127 16422.13251 32976.45887 67107.84628 61744.91305 13507.74273 61291.7121 61745.3595 38936.07432 37178.22631 51712.06194 93375.32644 72276.72707 39847.55917 92332.95995 38319.70621 40033.01575 27999.58139 66629.44613 61902.62262 47738.84014 35317.12249 53088.55626 53850.74802 59475.66363 43734.5135 96105.16395 104202.4104 118254.6221 30411.56619 62440.40968 37924.31709 31078.14017 86284.0865 121533.4596 29921.94268 103909.819 9695.619185 60073.81611 36082.45166 136968.3222 54699.86127 37147.61496 31107.08396 18719.70908 55598.31755 24814.79538 36855.10189 18048.36491 16062.89492 15844.33977 14155.95117 13638.10125 19026.6038 24623.37543 30602.34792 17019.70945 33476.15675 24988.27622 17294.92703 15275.34163 7033.255097 16413.73966 23160.89989 71833.11367 18504.71951 135588.276 136025.9869 14381.96898 36550.0528 51022.5417 354639.0473 76178.40047 54213.33658 9013.404729 73888.92679 11909.69622 101680.5233 65210.74341 34091.31125 74971.49657 18218.52651 60097.21685 68588.38004 61504.15721 54556.57828 169594.8831 131294.6045 97766.67887 218099.9419 60845.59317 38721.7883 89268.69889 109173.0091 49788.43844 62128.93312 67757.61661 51518.65038 76298.34356 24335.15365 96525.68415 51728.52433 51979.20198 48375.57139 77412.96418 72587.38035 40262.26279 26791.19361 58176.91701 32022.03225 106072.0674 114172.2574 116929.6684 11007.42187 45387.26868 67824.27886 19219.96553 46332.6135 46310.52385 51807.94258 132467.3987 103726.8975 13409.63475 50802.72564 99463.37472 61978.66788 67828.00022 88976.66671 97705.78666 58526.06428 22106.63699 126535.8683 7-Methylguanine 9210.836706 38536.05452 7637.934925 NA 11199.98385 NA 9616.591728 17149.99015 19316.46678 NA NA 15538.32249 21543.23866 23408.38357 23586.29441 18282.18323 17043.62892 10851.66945 21075.86046 16397.33552 18143.37044 17262.0299 17062.02703 16859.85287 17059.11757 12035.97988 27397.25775 35692.20249 19222.07142 14215.663 27673.22599 22435.20748 23863.64859 24580.34879 21497.3814 23935.43172 36927.70421 27125.17149 31961.71277 24718.55663 18877.20372 23313.88129 16987.55977 26069.43256 7886.066667 27640.57088 18221.68828 22514.61362 26274.69401 37455.40113 34346.89056 40111.98267 40096.09987 51664.42389 63181.10469 46555.17189 78867.12657 39027.85042 35794.94008 25935.37936 50709.98762 29933.06304 21987.05681 20818.77051 NA 29443.66407 27758.47354 42799.9043 29247.14433 30119.94141 49449.85344 44754.10966 31744.7342 21129.66465 17190.28149 17777.64741 29854.92614 37410.90388 32253.317 18074.93086 23423.67652 16577.69361 30227.07193 25807.58081 33828.90112 25877.0386 28570.28039 21577.47737 24360.71876 23108.36784 25837.51033 27760.97502 48617.2679 35015.52907 27533.58265 37576.64828 29843.4678 19741.71107 27273.38053 39283.11419 32635.59045 18487.28299 22348.70203 32138.33152 22267.43814 29748.29455 47383.06822 48517.62972 67377.29465 64655.87079 38624.47699 36268.4346 33584.93758 27903.59155 27605.74671 48052.62633 47774.22846 43794.35717 51749.72622 30141.45579 37291.51159 14965.91453 13889.43673 35713.42988 18277.27905 22442.30388 23131.64435 26116.4247 27972.14777 46108.31877 21744.6192 43477.51851 24365.981 35600.65665 42544.91911 21774.36785 19054.55236 19512.42687 19024.42503 21761.50879 30405.60595 21229.38528 18928.19406 22613.32216 21080.58994 18061.72488 54040.63174 25706.82699 28898.65582 29080.55316 29381.37683 24928.21581 21203.26119 26896.57716 31611.29609 27351.62849 24985.40458 23740.91475 20693.64792 21148.86009 19821.81601 21693.38928 24928.0669 21412.44284 18859.2778 23342.93093 21752.16808 23414.71126 30835.74484 22427.18287 14293.4727 17730.34114 15948.06314 9970.413209 19358.25984 35286.50088 40223.54928 46056.51981 21511.04635 20995.24656 20456.81396 24395.26768 20200.39011 19649.60444 20250.03225 17543.22684 18336.01449 Pipecolic acid 41093.35374 71483.70689 36290.99571 23004.83818 NA NA 2598744.257 2880532.599 2419232.779 2080384.865 2422945.088 2435873.15 2627252.139 2373034.526 2620302.322 2810124.913 2620559.991 2629471.289 2465677.116 2387693.89 2381637.303 2464891.066 2551826.003 2403353.689 2534295.184 3275158.215 2612423.029 1399073.882 3261698.135 3956342.595 1647767.594 2887579.027 908971.1399 2694095.212 13507656.68 11649463.51 8647216.256 630102.6086 361676.171 717394.7541 1167560.033 709461.5236 934659.0917 851321.6695 872533.9064 427992.4514 1487958.235 1842316.865 756580.3409 194970.0304 387405.3848 296103.0085 537370.9859 220946.7639 298392.277 976351.9049 583146.6413 835453.8908 842066.7792 776122.9548 668576.3229 358703.3715 290981.9155 397879.4587 1899283.78 949622.1493 1257045.262 356438.9878 450316.7582 310422.9351 269302.2169 462537.0235 811816.1714 1327111.437 762585.8163 1596147.773 6929025.248 5145143.75 4980107.801 1883191.045 855899.9041 1594448.474 427483.2254 702409.669 764152.7278 2565715.33 1894041.095 7618756.316 615984.6006 715298.648 681113.7914 883855.628 821698.5625 573193.9846 530278.2618 622247.3297 465476.8658 1303959.056 526684.0388 261961.7771 312465.4438 412291.2291 210094.8271 1517555.457 2216409.088 1383060.889 2147397.518 828482.7301 1077384.295 228492.9569 278300.2037 356461.199 245156.9749 554122.2634 496718.9508 205135.8105 424684.8514 349079.0164 931902.1847 1607337.471 1572474.4 668344.715 1696599.095 520159.2821 662304.987 344731.9391 702481.0205 380757.1952 1217134.434 900680.5521 921563.135 632922.197 1050213.759 346682.1356 190705.5504 326469.4867 1286463.239 1025214.321 684145.3251 988581.5773 1186338.155 554193.7767 3432682.365 799730.554 3016903.025 1443276.17 3037278.137 1839711.833 777653.5624 868383.1501 536529.5033 561026.8045 2452990.634 1042931.223 5061588.288 4095015.604 2687249.548 602249.9805 1359000.18 1170196.538 439463.3434 342175.3849 1205950.739 1392914.478 2186185.539 2225375.653 429432.6921 780812.4869 1108170.494 576727.3345 675258.2814 1385513.711 1789818.876 8186724.08 3509898.001 530217.8054 918936.1152 3031662.535 2249610.863 2688903.21 1293052.096 372813.0227 1463020.443 724710.3527 1297521.961 3537194.652 2464191.295 Phosphocreatine NA NA NA NA NA NA 120818.5536 107688.7396 126719.4761 149593.2912 125932.2956 118445.1046 97275.94432 88284.9515 95060.6446 96096.84626 93599.83439 103122.7348 106447.5347 94751.22984 100655.5014 89017.80647 94328.61256 90408.64898 87745.81793 110997.3124 312309.2358 329639.3787 138414.429 55133.42156 142284.4724 75588.59715 103189.772 123713.3328 83957.66216 188468.2773 156140.4874 459907.463 408973.7856 56868.09231 54982.15614 324414.0317 314572.4696 229462.4832 65152.2856 161281.1379 116771.9989 64153.74299 123734.1047 9189.152419 10200.49745 21677.82808 21566.30378 22622.11556 33908.07589 22252.2561 34113.82215 248123.6521 86896.62 134536.6982 10533.7773 26110.98697 61381.78875 18696.78028 40071.39518 46355.44344 76834.29471 37911.85458 46957.00604 57925.64005 3022.63852 12174.0816 29332.38741 209814.0146 287494.189 34968.5992 52166.89463 267484.2818 242397.0659 56863.33187 148059.5962 229023.3883 175123.0465 187031.1422 40711.61848 165597.2588 169941.3126 51624.38552 69922.81264 127146.9425 31629.43965 122722.3704 11809.63515 34305.63975 11237.6496 79074.771 48491.30125 41500.44299 63921.68134 4773.629721 32363.91811 18092.05482 32170.30987 32449.84893 8401.601648 10514.44781 5793.682641 24747.55082 15184.82994 10776.85954 35660.86894 10322.47906 31703.56628 56018.55975 22294.79561 10907.78231 2787.742609 36488.2943 20842.34907 249024.3668 19662.43412 129805.4795 120915.4127 3834.7164 48347.06235 90302.85688 60110.53414 239444.0784 185966.5983 20408.89354 173440.8362 10169.24036 155642.9668 22459.02256 4565.335804 50592.77104 25332.57119 206416.2118 179566.8518 495476.3879 554056.7937 32259.75456 46500.29895 317131.2608 33204.24703 206271.345 31269.29902 236591.0812 121169.6392 31541.44494 81618.70943 67722.3545 47158.68299 88375.92982 24830.8404 154498.8186 97580.92938 195715.7058 37994.6332 278657.7936 216886.6057 139033.4746 37555.30926 61254.76458 35895.90045 59526.85183 150087.7303 113693.8047 33628.70642 175049.1671 210158.0894 25880.27966 288399.0695 28966.73331 226746.0155 404652.8766 295171.664 19369.53288 163889.4198 51345.54327 136447.6349 213605.7312 50264.95674 98017.2387 96486.82705 38335.90557 120350.2166 Glucose NA 31193.32796 17579.7675 7363.266032 10006.69834 3201.376605 6524.499822 4903.887074 7020.114813 3641.848056 3817.151654 1589.613743 1599.667416 2960.389269 720.9930871 1316.800053 1184.848707 1407.883465 3051.959367 1087.097629 2047.381903 879.5170757 1815.199511 3529.378016 3131.24754 NA 321.9499349 841.4995867 NA NA NA NA 463.5112846 NA NA NA NA NA NA NA 523.4805955 123.4866862 NA NA NA NA NA NA NA 83.94969643 102.6345279 NA 140.3018362 223.2690481 197.4894873 NA 112.5029512 NA NA 255.136783 323.2585529 NA NA NA NA NA NA NA NA NA 512.3886095 NA 280.5736865 NA 208.9926016 NA NA NA 623.2924992 NA NA NA NA 302.1919765 NA NA NA NA 288.3624693 719.3910755 NA NA 501.3046169 NA 221.3407682 NA NA NA NA NA NA 159.3743022 NA 90.63026384 NA NA 459.9312516 136.2970708 371.5303524 154.8964927 NA NA 327.8725798 NA NA NA NA NA 242.840613 NA NA NA NA 86.34667474 NA NA 351.9926296 155.2048349 NA 194.8645718 317.4027351 215.2069982 496.0919315 NA 139.7535207 232.9733421 NA NA 113.442911 354.833907 NA NA NA 145.7933617 463.965779 296.319929 772.2775995 NA NA NA 418.9607248 NA NA NA NA NA 419.2289122 NA NA 329.2244233 NA 172.6169384 NA 92.0889413 NA NA NA NA 212.1054061 NA 271.0306212 NA NA NA NA NA NA NA 382.777594 NA NA NA NA NA 828.8277548 NA NA Cysteic acid 2648.030214 3208.6579 2445.807522 NA NA NA 39229.50645 34374.1594 35535.8773 37582.59133 34658.92053 30270.33097 28122.31361 20871.51099 26948.34339 31485.74874 26207.66016 33931.93116 28305.00352 23632.09525 25014.67342 26195.24043 28623.54073 25206.9264 23933.6253 2059.911492 74745.50404 35034.69656 104471.4454 NA 20078.92371 13689.36673 18867.9253 53142.54146 4392.024282 76096.69838 23715.60742 95456.96513 25660.07308 86818.23109 3531.800015 24252.83755 87995.16613 41185.5827 4863.636455 30143.74411 101986.0848 5842.321969 67876.25064 3147.77118 2269.088793 15063.10458 3363.032016 11075.79347 36161.43802 5920.963484 13822.26349 14164.53424 28728.0401 29506.90644 NA 17873.64719 12235.34254 NA NA 14944.45166 50837.79328 16742.94523 1161.196603 13992.21551 6085.896312 14834.81225 NA 47608.69722 9585.90397 4804.219381 NA 36493.04126 13749.32261 2542.369093 17901.27058 19035.56014 26599.59219 49472.37619 NA 17580.23712 13078.77606 2901.102648 31060.8746 51209.15607 NA 37863.17044 2391.485526 12326.13882 2084.792608 42072.60143 35469.66693 NA 14661.44359 2949.472498 23848.34213 NA 10723.08123 24050.58301 NA 8075.023041 NA NA 7227.200038 13262.68982 11208.25009 NA 6112.866079 33529.26334 NA 3211.180327 NA 14218.18749 26810.97757 35189.51819 NA 31333.7361 66855.80892 2611.554671 1916.223454 11507.4688 28944.7691 22151.05979 43639.9211 NA 16132.74837 2222.173847 30218.91342 4944.06639 12497.86883 22952.13535 1536.613786 34995.27045 18529.553 24728.23863 35054.16164 43947.66165 18266.81364 28716.14184 18441.79835 25923.74999 2451.06227 60488.05826 57469.96021 4963.789236 29345.05551 18298.81746 2472.179598 13700.87538 2107.566894 37505.56562 16544.08051 16483.48571 2338.685279 32443.34012 14435.16298 7336.687085 1973.728872 30807.43739 NA 34435.29166 40868.93075 29704.29438 NA 16752.17356 20017.13636 1600.14685 11595.45645 5247.450088 19549.21225 44656.4508 101554.5034 NA 28974.27022 10278.41553 13163.64883 22624.81599 6734.864409 16472.98582 10048.03027 NA 24164.01807 Homocysteine 25999.3101 22994.24737 25937.27671 21036.90955 23733.42038 21703.76906 149545.3743 135164.7989 138369.9743 138047.1951 119325.2012 109744.9105 75856.19997 58202.9367 73460.0762 88879.53905 75580.27479 97543.15843 84825.57909 73085.58846 66508.54988 67870.31505 71023.79609 60772.86237 55548.20625 135072.1153 74352.97732 48247.40723 74071.39591 214048.6236 55471.6851 143759.3846 36798.22987 88655.24275 125220.84 47024.30123 27574.92564 59417.5165 40829.1294 126077.4694 252917.0909 79494.17234 71596.3996 101051.6195 158396.771 40036.81496 32115.44008 106042.6807 35316.62874 NA 22406.9144 13308.17237 53224.77577 NA 10275.60916 91175.58201 26643.44379 59515.71541 80287.27767 119655.3976 65008.58361 20714.63722 32759.56477 45599.85592 141893.215 54459.56079 66482.74576 20290.6424 44796.10181 28055.66718 11404.78438 13689.40708 60834.63189 23397.655 24040.99999 82404.65763 112753.4349 44791.45354 63771.55024 50954.94465 45780.08022 26977.66515 45083.83138 42364.67717 52580.58221 31569.01695 40167.43741 110159.3583 41035.4991 28990.61959 45603.11024 58421.17978 46447.06396 38901.50636 49636.41488 37108.71246 53330.54136 58536.02232 28709.52595 NA 24544.23303 42310.6729 15369.47853 13684.67345 33068.18682 13164.0214 36096.46901 12320.3407 8702.491493 9703.223336 18893.08553 33922.62886 11967.42256 27265.70785 50713.92087 11286.79414 35010.69117 NA NA 44482.04073 56503.36653 41721.30438 68603.99021 22705.66413 100295.5644 51539.67815 49651.69699 43309.7378 43213.32922 21300.31488 36098.50992 18719.67222 27332.60475 39215.96165 14141.7366 45339.77185 53472.99855 23548.24565 19963.7197 38174.09912 36788.60692 40082.90617 46909.28221 32302.36419 58166.81514 58154.05203 92681.02512 52999.11687 38066.8375 74924.97195 35492.96715 47236.46303 42250.07675 29264.66798 50048.46769 32066.62662 25716.19181 40275.33712 72051.41359 31764.98202 40724.72208 43664.95907 90227.53127 66540.63456 140239.0153 76848.5751 19638.42707 32537.62707 40781.94824 67823.04559 49778.6121 98805.12374 87837.86146 262522.6789 67418.45835 44316.29386 28172.62773 83053.97195 35629.09421 107716.9248 45308.36516 40308.39585 75694.495 40321.62651 42287.31522 48581.84481 24321.9058 Proline 1236063.344 1643140.891 890035.1495 191961.1459 386598.0526 252500.1423 64384095.95 66172762.96 63267182.48 59318907.92 60718004.51 60839799.29 60799145.44 60404098.69 61456325.17 63862850.06 62230453.32 63191957.31 61471477.73 60827130.07 60184691.33 60990923.88 62417731.61 59388192.18 59897884.28 51713928.75 50084149.7 44565627.13 54811792.41 55443980.72 47458165.15 50404136.66 36943107.75 50421276.55 44229669.27 42158834.6 29378500.17 67171120.64 56442508.47 66005303.6 56850356.1 42311391.34 54979684 81291353.91 80010560.41 61140440.57 46600532.94 42511325.6 30953867.56 30817556.81 60376833.42 45220686.35 66451018.33 25534341.01 33869935.71 49344196.95 29838389.44 41483074.93 40678685.55 37786434.45 39837966.43 36176744.17 36091370.22 56528746.41 45782243.62 23951729.92 33204888.1 25188384.86 41219424.81 22810151.59 16709272.45 32073761.64 60090963.29 70942803.66 52762559.18 75947730.69 46255575.97 40107916.59 33337295.78 80160486.76 55554306.2 71492333.36 38141861.09 51997843.02 51235672.27 61636864.48 54936563.2 78232330.8 37092199.69 46399020.91 49842425.14 50624177.58 45072062.73 31393028.46 78042837.74 73397902.25 60795399.76 52777819.21 32078509.28 14253307.28 34082489.58 48370068.94 22556880.6 25225001.23 30983722.44 19640489.02 26490868.23 9260451.7 13074457.24 15697903.89 18300142.7 34094044.51 18935048.38 37750542.29 40646774.81 27952901.72 59451041.76 41976303.8 23429455.53 38643444.72 39904345.87 61860620.99 79098539.31 61340556.23 59101704.42 41958163.73 54308167.9 32679158.3 44686949.03 35440795.14 51109635.36 48373277.68 54719586.63 23667872.41 12739253.26 21867579.09 72438211.15 65053943.89 52445255.82 58544573.16 63884759.62 49966051.31 54766835.37 37957285.64 51561735.03 41416862.26 72056002.88 50625276.51 46693438.54 49676066.56 32784193.65 68956782.67 100348975.4 72402971.87 50507056.61 42942306.88 32239565.76 45081441.36 64421251.83 54444977.16 55649569.39 43375564.94 63887236.32 34831205.93 51917597.15 48272115.77 26258346.15 40880011.96 46933020.84 47419066.75 55647232.34 69450074.09 42733339.32 62213196.68 52825457.58 51041827.61 66310508.14 77380439.84 49868207.92 55157122.96 37393818.15 35929511.93 50315826.42 44465385.54 50375941.74 66051561.17 57163392.4 Hydroxykynurenine NA NA NA NA NA NA 4123.334998 3028.589908 2368.589971 3766.655637 2717.7799 NA 3400.621631 2725.43907 4001.205086 4569.674643 NA NA NA NA 2637.627045 4684.178102 3969.003768 NA NA 8536.449863 NA 2208.12666 802.4938028 9631.157627 NA 4241.953234 NA NA 8860.141273 NA NA NA NA 3441.741899 12530.6696 NA NA NA 8558.945232 400.2458309 NA 13632.9763 914.0978155 NA 3659.268198 965.0215197 5715.054341 1865.676707 477.6356828 5294.243036 345.4602699 NA NA 756.2044117 7176.258207 629.980474 1003.275726 6932.160817 7378.275911 NA 1803.524369 NA 3346.964641 NA 874.0956625 924.3106356 3031.30086 NA NA 12382.7223 15598.43488 NA NA 9492.666625 NA NA NA NA 6518.256459 947.1852956 351.9549966 12123.74155 931.9729162 2117.088572 5864.064334 101.4399142 7827.598286 1493.713964 24429.65571 890.5699162 556.1901678 3803.319302 102.4555722 838.2791332 470.7129819 3971.94717 625.7083314 752.0288042 2210.657573 552.7270728 9598.159676 964.1261615 918.6261507 765.15795 650.5365672 2800.388065 768.4470124 NA 6635.477905 505.9239229 8245.279981 703.4459289 692.9400022 NA 6082.959222 NA NA 7084.035835 5948.726894 NA 3191.561563 NA NA 2593.748053 NA 3733.83727 1057.491584 1247.541797 568.2004046 NA 9244.065671 NA NA 102.9783631 578.5435209 470.5430903 NA 709.1639963 3564.984678 629.9690766 7432.764764 1438.043755 1214.013661 6629.033526 666.842182 192.85122 5145.681611 1187.861487 10774.2949 1433.652796 745.2825949 NA 8113.550123 530.4832789 575.8142167 720.7537471 4010.246959 436.3844523 7504.532539 1639.791388 NA NA 14887.76639 366.9871722 NA 8477.272134 NA 10909.86862 NA NA 2147.623899 32334.5424 1997.047843 5087.235975 NA NA 5301.867241 NA NA 10312.68452 NA O-Acetylserine NA NA NA NA NA NA 37761.5812 25078.86259 31822.16371 26452.95032 30195.94034 NA NA 22518.32647 14630.1948 21288.46647 23599.20959 NA 20281.73917 19316.57319 21132.97555 21840.94461 14567.30924 NA 20829.32878 6771.048023 18775.43244 18275.23878 113225.9945 8794.299231 47449.66872 9465.143608 32923.36808 44757.59978 7198.619889 60591.68547 22986.68762 66133.06306 30572.46315 8048.321476 4972.281071 19032.93264 53340.33119 51281.37742 8920.066068 9065.755424 51504.33276 7139.343415 17123.2974 4659.785157 NA 7780.072902 2477.604985 3840.313889 4304.851489 2147.832825 11629.82735 18076.81425 10355.27796 10169.00148 878.7985445 4798.903573 6761.439451 3999.186996 5087.176558 6576.264308 12425.85648 6477.217679 2636.279109 7023.679121 3630.095641 9262.525806 2696.967953 56471.58394 18022.3457 5027.890599 5280.292749 21126.22409 10003.53364 4771.295943 21378.81808 24834.75944 19398.23537 19059.44202 3863.986959 16647.90993 8991.827597 7334.601566 6353.217501 15325.893 3605.071961 22359.95426 9752.389751 4324.407643 1300.88811 15786.95537 12186.92437 4331.391299 5869.311157 1728.495723 3879.765245 189.690238 3549.949631 6099.205838 1040.046537 3786.980741 298.99614 2916.61507 6605.604302 3461.606583 2680.432829 942.4628764 5419.419051 13518.8506 2063.792795 2760.107155 243.994594 9531.61029 5933.503667 12700.25728 2392.598758 13825.23097 16625.78381 NA 4301.789954 12897.45711 22476.98901 26362.57075 41171.89526 1387.028145 11370.8523 448.9735956 10564.70524 2346.298282 4323.267162 17465.56528 6808.596057 31474.68285 9197.633956 31821.22421 35658.61633 1452.644578 13928.50062 22838.58631 6396.139754 23330.64798 10320.56864 29640.42626 27852.36934 5824.395894 10669.27469 7738.135487 2857.056725 18899.42935 6544.749295 23138.7577 5431.518995 10282.70463 5566.879351 27330.43354 23507.34429 6584.658225 4595.65985 18158.12204 6365.572884 22467.87263 16648.35572 18478.20803 4136.43294 11461.7086 31839.53834 4831.597075 19670.73433 4317.7356 27659.06604 32982.34931 56828.45732 4562.375816 46837.70011 7636.270816 14855.71704 14759.22294 5023.402886 16529.51391 10475.14085 4079.005813 32737.40515 Adenine NA NA NA NA NA NA 106549.9374 138238.6399 117974.5365 124905.652 124806.0385 164031.703 209789.4713 214012.2064 208814.8754 227795.4736 198813.1956 183797.9832 164048.3274 203536.2159 192263.8736 245944.773 231924.4584 242998.1101 258004.0506 41626.07432 288300.648 264847.2628 348137.8787 49329.79445 326602.4153 61292.85717 402094.7969 227629.4871 68099.09732 293220.2039 178276.1929 347217.6017 351683.195 75821.59656 64219.96423 255123.2367 226544.3703 127233.6217 60406.69637 149550.408 295519.4902 81801.19543 227334.8147 389154.6191 129192.3363 214915.6347 91668.82994 366843.8327 409286.4329 93515.78008 302655.6844 272834.4354 596509.9954 265446.812 155182.4522 180281.693 171770.6197 121181.8435 122544.8856 277942.9479 571574.9811 268852.7365 147884.0331 193389.9632 249042.9778 146588.1775 101697.9563 220704.7614 242999.2014 64666.78422 88507.87845 221871.8809 209352.928 138082.5822 214281.6681 225454.8495 194616.8396 293255.9004 156952.2233 229822.6408 181327.1226 68699.38438 183616.9113 240444.3868 142964.8544 349621.9933 174851.6472 183112.309 125130.7213 221590.4094 140424.3914 149144.596 277415.7183 266713.587 281143.5421 164749.0618 284028.0288 350651.2457 219903.6759 396961.1239 210964.8461 562620.1825 426968.662 512095.2644 268938.8646 189182.5688 330303.036 352612.6465 130536.5802 272243.571 133654.182 441329.9693 373348.3659 411778.0578 219855.2586 191968.1825 300048.6379 183009.9984 116677.2275 197824.3499 169358.9561 287772.2955 338921.7012 263464.684 211891.2668 144790.7124 307854.7363 164531.2864 281694.1026 256700.4123 80350.78025 185717.5845 204862.8581 296279.8673 349962.7877 178989.9949 146962.2963 255408.8379 130845.225 483126.6343 97456.58025 543420.7561 397059.5096 153733.9228 375726.3123 208478.901 122492.2512 232035.8135 182573.6953 406913.7462 338879.4096 289476.0369 157990.0212 382036.1683 210627.3884 235526.8633 129876.4392 300563.2627 161597.9455 316574.424 292236.291 284007.7257 106301.2173 186977.8886 221258.6257 163509.3756 335704.6727 121350.4151 269635.9294 337083.9581 547456.4321 194489.7507 350928.1744 216774.4854 483219.526 477192.8255 217611.1515 259955.1016 300357.7324 161907.2932 208805.0866 Beta-alanine methyl ester NA NA NA NA NA NA 3087883.977 2282781.172 2797493.719 2264035.818 1683963.586 1206172.433 955077.3558 900750.5609 968202.3651 1252057.021 991044.5858 1401540.259 1193445.112 945585.6058 911391.3897 966094.1587 1039386.416 865881.7186 868760.2866 3914973.303 2383735.598 1439701.036 1440324.162 2427265.868 683270.1169 2757736.112 706164.6599 3135084.794 2342232.945 1612167.418 436567.0666 1141844.55 531323.3157 1848036.141 1706487.961 466497.2021 1289197.656 2001615.742 2234103.426 605965.4611 2165890.828 3233995.089 579998.5718 162537.352 458433.3673 256990.0876 643406.1937 175648.6839 185978.7621 715688.8965 276058.8817 447478.5288 503197.4683 409907.5496 539596.378 243876.178 251211.2354 547824.366 1102651.995 305017.0596 511474.3135 360106.7322 878665.7718 317323.9815 138703.0527 272571.6599 763437.6826 1158368.655 568061.1803 1785971.552 1386920.806 704034.8553 559018.364 847725.8625 303466.2424 538543.33 326296.0722 607035.5272 680586.2038 532258.7494 374637.5671 2025987.484 422080.8077 622431.7865 709142.2554 1116986.134 886733.2948 427902.4279 723862.3818 752948.9362 432566.3682 990498.5173 375639.8562 137380.0615 278210.6422 549136.57 167286.0767 194810.6727 297262.2705 153468.128 277563.3875 75041.16202 113781.9802 236376.7534 236220.4723 639691.0694 124392.3564 296496.8478 333524.8868 100039.697 352320.5596 194409.4068 216762.3531 485107.6429 446532.4627 603764.137 1350440.618 487224.8042 1256811.962 463508.2165 1129311.314 464850.2784 924427.5066 215308.4132 425871.4582 371272.5902 479112.3081 605606.6341 225942.6571 430755.8041 1101403.397 604844.3388 272378.841 382687.1457 455760.5508 694171.9432 1745607.592 514152.3954 1294928.899 267036.9586 6239859.244 436590.5379 792675.4512 1433123.022 442146.5866 422759.3308 908784.0332 640466.5157 549754.8653 362521.7507 207442.078 356551.936 1087074.519 541601.7976 1494119.421 664180.8983 2558024.332 467191.1426 1354836.202 1100282.828 395005.6959 1009224.871 1496384.417 282905.6373 406024.4218 1163670.091 577842.3352 2372012.763 1009742.599 1598915.708 2543248.167 5276350.453 927662.4698 1396715.468 424224.4724 538249.4294 1053759.023 821060.1799 649106.5901 1495703.945 1026048.73 Guanine 34128.97691 34347.96762 34713.96128 32528.193 12360.20747 27271.00708 177712.7994 183570.3789 209003.7813 148453.5658 162638.548 159649.5863 140699.3054 137671.3039 148540.3576 179145.5317 144573.5169 171841.6869 160619.2843 158599.4283 146772.9973 146197.0484 165083.3835 137205.9578 137501.5129 NA 79299.20473 121459.6062 120076.8489 NA 184811.1555 34237.14564 113765.8354 94216.98705 NA 132319.3236 228833.0581 123912.9696 223830.3527 87199.37344 8622.603113 106128.8198 118389.6466 123196.9266 NA 125401.9942 140594.5963 NA 140899.0624 136157.4807 NA 101412.7803 NA 54741.81187 56317.38766 NA 271310.1507 610473.0144 142761.7582 1525849.373 NA 49158.61709 1419886.075 84633.21498 NA 117720.5478 NA 72194.52021 NA 592019.1418 307638.4449 64037.98765 NA 79386.75486 72905.51699 NA NA 73238.77156 126510.9882 NA 178330.0671 127658.4393 316051.5378 284762.6812 NA 152889.3598 140940.6744 NA 717858.9821 NA NA 88921.58746 23049.27045 256130.336 7315.668714 54144.97453 542500.7612 NA 83355.51859 254696.2531 97729.85752 NA 290722.0137 75544.84532 12858.83142 1042957.584 NA 151854.8307 166543.7737 113037.3053 116104.5049 10547.53382 250451.8383 89595.45865 15025.93558 249021.5027 8104.036419 117024.2312 146478.6233 828398.5754 8136.398155 105560.6612 63700.89025 NA NA 96348.97093 83958.55712 405071.0468 67552.90562 NA 40759.64653 NA 52002.01575 NA 76054.13905 49935.32466 NA 111357.0752 382485.3957 285732.1309 107420.5549 23556.54088 45095.29605 245643.5703 NA 51049.70271 NA 82450.11642 89179.17984 NA 76785.9329 119127.0022 NA 96560.03675 NA 56184.39419 69375.20577 281284.6637 NA 67026.67662 35777.62052 53061.31596 NA 116612.0638 NA 87271.9156 1251148.756 106242.939 NA 173237.1345 104117.5821 NA 183808.8757 NA 40983.40183 59534.09063 49145.47929 NA 38838.07054 15637.38909 67718.70868 59563.04439 NA 62802.7048 71029.64198 NA 64966.83833 N-Methylglutamic acid NA NA NA NA NA NA 22715.0034 23695.12341 22362.92658 26281.52838 29408.5378 27989.773 21179.41051 22884.12233 19739.46285 18724.19128 21264.86494 28358.24449 23454.28935 16290.65763 20731.96541 17782.38224 23928.95892 23465.49555 21723.46133 10918.00507 45217.76761 19764.53112 66101.5511 22803.75638 59737.60083 11920.95303 16714.18952 35174.70629 8686.635025 32281.77937 15678.43387 46148.87686 40436.86204 NA 7960.588431 38855.26149 47944.89548 40622.40781 10417.55002 11822.6469 49444.36083 8556.262369 22611.11864 NA NA 7989.333806 NA NA 8478.161176 7412.309625 5040.070791 17668.96653 29690.65757 16821.80357 NA 8665.684896 6823.976575 7573.976264 10561.249 12705.33729 28584.5778 14089.91844 7160.344553 8005.117371 NA 9241.884682 7082.605473 32104.67206 19648.27522 7169.205209 10815.4547 38157.1691 25756.55031 7091.503942 33914.48192 27303.56092 15807.44334 31905.25476 6015.412647 43180.41701 29913.72618 30772.51576 16429.78262 35796.56696 7656.072048 39558.66509 4093.198833 5732.875402 NA 30325.81128 14421.02741 6566.196411 7259.430361 NA 8642.678928 NA 5809.988921 13444.9511 7123.128531 6680.392327 4714.145017 5999.494009 6567.216313 5056.063206 5713.037155 NA 5605.211652 11933.12762 NA 4213.779486 NA 7782.813453 7291.899526 24321.78613 NA 27823.51385 55633.56998 5011.787211 8795.86316 17795.47842 21338.81276 17132.22887 28038.59676 4223.79551 17680.71239 NA 36210.8688 NA 6022.583311 11758.16723 7774.539453 37936.50071 18950.97586 35788.67841 34086.12859 5430.598336 23896.87596 21213.08525 13252.52716 27301.03943 4324.17228 77588.90943 40379.74326 4494.781017 12598.8339 6470.40642 7166.967382 20803.4118 9615.619958 63121.06515 13771.70599 11088.05724 9138.51638 42393.13148 19080.20293 7187.901826 NA 15880.16494 7033.35736 31010.76861 9884.749261 28841.27131 NA 7017.431672 20183.01076 5130.479961 28407.76469 14401.9504 33929.90436 48023.3768 79245.15672 8791.176073 28155.24032 6712.326133 10221.16257 24724.96581 8920.762439 54809.41518 19855.58841 21561.32354 38230.7809 Taurine 4518.279636 10899.14123 5382.520655 3494.112286 4974.224735 NA 3086808.215 2827837.823 2780118.246 2677015.698 2743840.389 2842668.84 2790719.742 2719725.22 2777209.997 2748221.975 2788635.76 2733093.666 2776861.482 2732687.754 2757393.88 2691670.504 2661639.443 2539905.838 2559206.76 1499752.202 4908605.991 4229600.569 3695763.978 2703956.316 3618437.503 1971496.474 3610661.871 3944192.25 2115701.267 3378954.352 3658623.041 4617928.298 4761577.261 1340325.632 1431508.16 4841062.089 4946790.523 3072283.567 972307.7894 3135288.664 3039474.087 1922919.78 3239782.876 1742415.102 1169928.415 2393326.929 1405791.699 2288743.575 2292466.675 1923809.609 2040762.984 3142713.176 3514952.374 3755067.009 1166948.312 3506153.235 4510121.352 1198419.893 1840405.579 3824288.768 4636024.324 3330813.807 1494817.361 3235577.027 1295178.799 2135603.617 1591083.441 3815897.068 3820070.679 1946150.461 1433018.109 3451737.411 3483076.875 1428867.212 3474279.48 3882683.377 3452500.181 3974736.215 1135309.613 3731029.961 4458841.969 2508696.913 5821957.617 5962125.441 1967924.362 4316629.265 880854.8784 2863305.676 797635.7246 3912432.202 3447028.106 2327995.553 3047186.953 1701472.065 3193841.485 1504536.023 2532522.324 2267864.616 856014.6623 2025426.798 1375473.502 1302804.027 1493271.344 1866172.004 2176706.714 992159.671 1518741.988 2251337.471 1066437.757 1852277.385 2017589.049 2514587.221 1989398.609 3376544.514 1468278.719 2554383.184 2991761.841 501741.1321 1055744.753 3643455.936 5358436.933 3696821.668 3515496.326 885072.0346 2562702.311 712488.6909 2698896.862 1127768.65 1737456.372 2614151.082 1015644.325 3823591.53 3501207.811 4949390.267 5362382.089 829550.3639 5382362.513 2667426.017 886451.5854 3587738.542 1927595.525 3945517.46 4701149.888 2034975.998 4464675.286 2629369.32 873844.156 2909075.443 1289269.978 4638786.152 4107578.784 3933500.891 1536047.288 4129033.464 4105617.469 3513571.933 2266168.034 2276197.08 1156521.171 4209451.483 2466816.667 4394669.122 931621.8838 3889996.648 3533406.505 2846859.107 2179155.997 1150943.592 2215197.031 3065851.247 2755764.072 1018676.222 4970126.335 5449767.125 4610807.577 3296962.846 1448997.627 3650568.831 3098822.297 848605.2919 2855317.516 Aminocaproic acid 376464.7382 133278.641 97288.00834 63479.69751 44080.77817 30734.23836 826241.8785 771203.1876 733360.1781 736475.4604 762988.5439 834402.1663 807185.5436 685917.82 844734.695 785001.2225 814021.6694 810380.8996 760384.3661 806128.9542 811818.4205 765996.3609 739967.7693 751129.7212 708252.5014 672717.1553 592003.7085 482189.1155 567467.8734 643173.3134 446992.6488 586234.7916 340278.4654 472547.5378 421201.5109 346653.4214 262444.7127 464165.3037 409748.2282 673539.2125 810102.984 452358.9051 613820.3233 1039390.975 1402017.82 653587.0997 748304.3328 591166.795 371610.3739 322736.6044 504285.4965 432888.32 549232.6542 269069.4747 286735.238 572187.2282 365914.5273 406364.136 452401.4619 408509.1316 430157.8638 520686.5313 504144.7852 792624.4131 499534.6053 262508.9342 333377.7068 404387.2754 594802.7031 385613.998 185426.3767 289142.895 500626.7715 1018740.539 556563.5647 1273857.655 695753.4615 509731.006 444487.4248 1211176.223 882349.604 937040.7263 413055.2878 670556.0119 607992.0765 512856.6626 404950.9243 877163.1495 455777.3447 586859.535 591735.2575 697907.8502 579289.6294 469011.0815 705206.4064 790990.4781 535219.5151 381189.5693 239889.9505 161046.8701 404918.528 498545.3938 315639.2319 295283.6668 334485.9101 243436.4708 250028.9493 72909.84526 172693.8245 243179.1126 278771.9996 337991.983 335569.4776 470335.9724 533868.9418 350591.0248 662490.5939 540386.0188 280879.6561 397484.716 413041.6744 1150614.066 1777047.344 970907.4268 871977.3533 388298.547 654869.732 367561.8939 560280.7972 282331.2501 527927.197 525985.0866 615283.9667 356233.5092 200551.8246 302824.8322 906680.5288 749369.9384 442956.8605 517285.2679 641613.9782 620605.953 552626.8712 352400.6504 654091.9697 406768.8457 1665848.39 641947.0764 629737.8778 698915.2571 370704.3611 310046.8444 531713.7517 397544.5947 466962.5476 348387.7057 248159.506 426158.029 847873.6892 571233.3535 437473.5493 278789.4762 599399.9632 422907.9858 756073.8078 741017.2616 405916.127 692414.2008 897247.3317 536463.1817 633999.1119 1147485.289 498301.9657 973927.6317 716814.232 347079.8264 531703.2654 649024.798 507032.7173 667455.4701 313808.6012 412120.7615 623139.6649 505762.4499 553999.2401 927916.6911 681173.2337 4-Hydroxy-4-(3-pyridyl) butanoic acid 192095.0243 360435.7925 198823.5285 90070.73594 159918.6978 108079.2035 15794586.7 15527022.68 14142785.25 13950074.93 14441077.22 14750916.53 14043552.6 13358555.12 14187645.35 14534894.74 14113797.1 14592745.96 13950144.11 13519251.8 13428984.63 13595830.02 13894042.89 13671749.4 13549175.46 12976562.46 11010845.14 10050943.12 10462008.21 12501465.23 8614093.768 11479543.91 7006884.461 9908780.937 7776105.52 6589647.763 5056823.343 9194521.476 8144428.659 12958914.13 15352329.48 8779163.996 12186594.35 21540253.31 26969178.51 12666518.08 12240784.87 11647718.29 7131588.059 4457401.932 9770001.86 7231703.283 10463592.51 3742706.036 4494105.359 11661947.95 5703762.26 8094780.205 8826689.562 7487903.794 8176482.213 9292020.51 8810151.419 15847216.47 9740657.942 4356776.673 6110606.291 6977298.419 11514313.25 6477569.909 2670885.904 4460113.581 9575423.937 18305285.43 11041256.68 24577430.56 13867424.9 10133313.4 8332473.298 23469310.64 16073324.71 18149626.12 7872607.648 11366076.3 11468252.55 9933292.171 7558477.865 16026294.69 8703486.477 11674236.67 11575668.54 13753427.57 11239904.18 7766380.465 13472398.76 15464933.81 9978485.355 7236156.444 3962987.17 2156687.271 6727424.721 9535706.315 4706261.262 4335904.413 5708122.239 3577045.753 4556059.601 1928239.44 2488407.543 3518405.01 3958526.813 6081271.114 4741595.343 8605338.012 9623464.396 5658646.57 12471536.9 8350122.295 4368238.302 7308968.291 7495334.884 22679086.07 31569608.96 18840383.8 14119863.69 7619935.822 10515839.56 6892756.859 9637004.899 5080261.602 10722022.81 10241788.37 12230428.61 6568553.432 3379935.409 5583591.738 16305232.97 12557266 8103648.015 10230885.39 12302162.23 11578036.7 10093031.84 6362481.299 10914840.34 7835720.256 30848308.49 10077761.71 10533594.01 12923014.65 7576800.875 6020934.011 9215518.425 7765709.131 7640531.068 6553982.169 4528258.303 8138619.179 15394812.02 11542795.9 8297051.961 4976414.756 10868937.76 8497770.508 15338627.85 12677304.42 7936802.259 11479602.1 15460416.93 10501822.29 12291759.22 20561464.38 9733788.855 19022630.4 13455967.46 6896491.395 9309913.281 12205814.76 9960765.343 12139893.14 6402842.484 8320566.336 12679607.7 9389875.022 10471220.99 19210969.11 14096662.48 Hydroxybenzaldehyde NA NA NA NA NA NA 142075.9064 142549.3648 125107.404 127194.505 128430.7559 134515.3941 132371.6976 121047.2474 126696.8124 138526.4307 132214.9395 139439.0412 120558.6994 121432.1586 117111.0381 123762.062 118239.7418 114356.4785 113134.0242 116775.9866 98892.05614 88755.70143 92048.36364 111883.8999 76646.03301 96992.68659 61069.76334 87525.8177 71478.07667 62440.79345 45326.6237 87260.32678 74402.67013 118355.8682 135766.8948 84740.07342 116199.1051 194337.3605 240938.0224 108236.0141 112238.6512 109077.0759 67614.99985 39612.13425 82487.45325 64595.43975 93360.19242 31761.55139 38741.3155 104245.4956 47389.47485 73516.7186 74849.09613 66932.50904 68219.08048 83710.77907 84092.07661 145486.2029 90161.78186 45500.57047 56819.01043 62415.95765 100368.7284 58765.88881 25303.99498 40995.3842 91831.82151 165796.1879 102516.8795 219385.6894 126676.8891 94922.15905 74859.26184 221563.051 146187.111 167906.4998 73576.32059 108449.6549 109898.1735 95529.4581 69070.65342 145999.7056 79464.89492 103427.1824 105572.0812 123699.3944 100182.0213 62019.47756 118515.2367 144879.6099 94510.66699 70983.20392 32826.6889 20444.00483 59514.84224 81625.60384 39258.89851 38552.93856 53267.15938 28747.93482 41479.77253 14958.44973 19578.91486 30791.58 35484.93509 51728.80691 42925.47023 75504.19251 87650.34536 50665.9794 112543.9538 68637.5316 39324.64266 67869.79507 68952.82223 203640.0748 300191.607 152889.5924 132503.7122 72925.57989 96701.72608 59158.671 88112.30628 46734.96121 90096.36082 91298.69083 110903.5769 57885.0856 30813.846 51091.50584 144399.7836 112517.6717 73349.5448 92957.86165 111564.5221 101182.8981 92820.03132 61031.35854 100253.5107 70239.76962 274553.3834 94036.98853 92053.44023 112638.0397 65279.56482 51772.31046 82393.43402 71295.62865 67843.00847 61945.46629 39284.38896 73285.07826 134786.1758 106146.2908 76042.56716 42085.20394 98865.95594 73955.21932 132227.7534 114770.8334 69852.65928 101897.06 134400.3071 90796.64156 115746.0089 174372.1166 85875.57359 161758.6045 114832.6483 57644.78342 76414.5757 102985.1672 85909.14973 101278.4685 55628.0405 72086.12736 111512.1731 88037.44349 85089.99248 160504.8822 120089.283 Sorbic acid NA NA NA NA NA NA 12262.40342 14359.24324 13596.54614 14048.08926 13147.40305 13692.81068 13129.4752 11737.09413 12031.44096 14802.94319 10929.65669 13274.09898 12079.2932 12360.93388 11235.52137 12162.67332 13477.98956 12875.56846 11073.92986 9345.861944 10958.46975 NA 11380.21823 6181.464871 6847.044168 7800.14586 NA 9892.027608 4683.976616 4527.108908 NA 8942.421797 9098.451253 10289.54323 11301.76895 6481.198564 11159.25845 19085.58374 21635.61284 11451.67893 12072.56739 11725.65678 NA 3014.831017 8837.279588 7258.85134 9758.275807 3367.685783 5052.402263 10085.14984 7041.104586 6751.570702 11331.32117 NA 7877.051159 6906.212848 8209.657642 15255.4264 8129.699108 NA 7114.209222 5458.356505 12310.80502 4794.835191 NA 1902.289652 9713.460366 16931.19757 10328.58203 21805.66315 7463.335959 10390.48107 8400.596795 20993.53866 8917.628792 16366.18455 7768.549379 9055.366322 9443.026838 7105.981425 6606.086175 10700.69946 10156.69589 13740.53874 11336.99443 12024.56224 12574.82653 NA 12500.27642 15560.06945 8716.978956 7858.515466 NA NA 10033.21759 7780.928902 NA 3795.732165 3807.175174 NA NA NA NA NA NA 4594.987412 NA 7004.150132 9108.037195 6428.045656 13997.6843 7921.199981 5098.984053 6865.730438 9331.728475 21204.7764 33236.44089 18922.53656 12683.56273 5839.743766 9315.885581 NA 9612.845682 3266.488116 3675.37084 9127.787649 7285.400876 NA NA NA 12864.99188 10370.55337 5844.688545 10318.06221 10666.1167 9129.036789 8602.538487 NA 9576.455568 6082.972772 25299.93835 9796.984615 7063.560117 7920.930317 6982.156082 4333.694246 7437.821695 4353.517697 NA NA NA NA 11616.62397 10899.38873 7559.032892 NA 7607.253064 6545.380816 13717.70568 9842.336161 4885.121229 6095.215923 11755.43003 9478.358399 11642.06811 18300.83805 9481.699593 18455.75827 12230.82435 4534.661124 6649.13467 9160.369643 9480.618805 10173.28556 1853.80091 6787.030306 11984.58537 8864.301605 6267.136787 14595.29577 12566.49459 Tryptophanamide 155169.3961 136406.8697 140976.9056 49483.28025 55462.84111 57093.19331 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Tyrosine 177440.0628 317058.5573 159557.1698 78313.12036 149423.0073 98616.98828 15797471.28 15527022.68 14142785.25 13950074.93 14441077.22 14750916.53 14043552.6 13361212.13 14187645.35 14534894.74 14117157.18 14592745.96 13949900.74 13519251.8 13431478.87 13595479.4 13883399.52 13671749.4 13558010.13 12976570.06 11013522.13 10050943.12 10462165.73 12502426.67 8614154.468 11494993.8 7006727.005 9907776.454 7775994.492 6592462.339 5056823.343 9194521.476 8148657.017 12958914.13 15352329.48 8778977.2 12186594.35 21540253.31 26972308.22 12666091.45 12232281.23 11651843.96 7131311.727 4457401.932 9770385.847 7232387.921 10463592.51 3742110.913 4490211.507 11661947.95 5704949.533 8094940.58 8826689.562 7487903.794 8176482.213 9292678.306 8810146.951 15846698.84 9747361.991 4356776.673 6110574.325 6977298.419 11514313.25 6477569.909 2670865.836 4460300.753 9575252.118 18305285.43 11041438.37 24581595.16 13867424.9 10133313.4 8332292.719 23467223.5 16088965.85 18149626.12 7872607.648 11366076.3 11468826.17 9933292.171 7558477.865 16026294.69 8703006.403 11678189.52 11575423.09 13753427.57 11239904.18 7766380.465 13472549.7 15464869.5 9978011.853 7236156.444 3953045.536 2156687.271 6728537.158 9535706.315 4706261.262 4336156.802 5703553.158 3576979.413 4556059.601 1928146.166 2488407.543 3518098.465 3958498.938 6081400.68 4741595.343 8611521.757 9623464.396 5658900.244 12470386.3 8353863.133 4368473.991 7308825.651 7495334.884 22679086.07 31569608.96 18840509.32 14119863.69 7617827.608 10515839.56 6895793.831 9637004.899 5079386.483 10722022.81 10242015.72 12230407.79 6568553.432 3379935.409 5583514.899 16312571.47 12544222.58 8109355.663 10230885.39 12299688.72 11578036.7 10092041.98 6359291.133 10914840.34 7836209.485 30848211.37 10081624.76 10532995.69 12923014.65 7576518.46 6016971.966 9215518.425 7765709.131 7640212.24 6553982.169 4528195.555 8138849.975 15394812.02 11542997.81 8297051.961 4975723.944 10868058.27 8497770.508 15338627.85 12677304.42 7943933.036 11478152.94 15460416.93 10501822.29 12293653.78 20561464.38 9733788.855 19022630.4 13456135.02 6896491.395 9309913.281 12191314.11 9960288.306 12139893.14 6402469.63 8341212.545 12679607.7 10103712.31 10469321.79 19210969.11 14105858.51 4-Guanidinobutanoic acid 173970.0758 95882.29842 64137.38438 33578.91473 50526.27552 34874.91908 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 27042.40917 NA 168498.118 NA NA 345213.5176 NA 291492.4453 NA NA NA 179330.7311 NA 529077.3564 NA NA 399465.1058 NA NA NA 143746.864 201706.1024 NA 351224.0847 78957.53778 69823.42354 53841.13539 81472.06158 167315.0639 151434.1427 81780.04684 60620.9163 185801.3779 124822.6739 170817.3596 46192.25692 68353.91175 108346.4248 87417.98563 NA 172014.3045 148826.7194 125272.742 58232.02759 109093.6122 80982.46394 137812.1041 97669.0414 NA 338391.1426 NA NA 223522.0837 194941.2478 NA 898983.0477 306072.8899 172273.3218 NA NA 163742.4239 92478.02036 NA 160897.1068 157735.5025 58271.54612 208347.2238 891923.1555 91192.07512 100299.136 150805.8143 165276.0668 NA 41516.09508 NA 99521.9723 59892.81684 7048.748903 90565.88155 57167.3222 163880.8582 46579.16361 65322.97615 78705.91649 55367.00243 83858.10785 41446.47188 112972.8434 145649.7231 61164.19156 82393.70515 77700.8511 108984.3111 82276.01752 458175.4973 49546.4114 230524.444 NA 94070.8167 NA 132598.2902 NA 188579.0382 NA 41829.35919 218928.4822 55670.83617 144581.3697 43937.697 28078.50679 114821.7286 NA 144984.0545 224102.4847 352691.7379 265625.2978 102018.8611 NA 242144.3968 NA 412659.0221 NA 163441.2041 105048.4793 NA 155679.2302 140865.7757 NA 126360.1086 NA 107061.3308 121953.8407 154004.5073 NA 201956.8229 75061.83309 105344.4405 NA 248350.0519 NA 163209.1986 205068.402 93530.63022 NA 88032.72146 75872.23413 NA 247093.1953 NA 152210.5339 406414.9654 189245.5065 57594.70457 165420.6383 NA 151857.9145 129691.0199 NA 92582.38691 164158.1179 52479.07593 227685.4513 O-Succinyl-Homoserine NA NA NA NA NA NA 8604.692284 6057.324278 8132.323239 7895.076874 8357.012233 6447.432011 7553.543913 6717.541491 7730.815181 6653.619203 5146.27879 6405.867166 7037.097781 6392.509774 7946.806825 6398.111899 8445.022464 7344.248948 5740.334995 8936.313602 6178.878868 5975.727181 5897.520521 7368.139739 3811.417015 6784.116837 4955.697119 6424.840347 6739.750589 4467.637756 2597.757048 4862.69985 2958.742605 6206.494868 8737.382415 5728.070185 5821.548102 5090.792452 3658.407917 3068.935634 6789.151759 11405.1122 4437.797134 2012.324887 2679.28556 3357.218721 4753.729185 2288.700326 3047.93895 4289.555846 2731.467217 3012.377425 4188.250068 2867.66663 2992.129023 3556.250705 3212.121645 3529.636226 6046.842976 2368.716528 2852.25028 3541.332349 6119.851081 3896.846242 2541.60949 1724.86036 2537.3634 5242.410164 2910.481512 5098.59365 6244.542726 4128.217014 4613.994015 4913.885887 6328.887664 3453.347822 5168.561308 4325.566506 5294.696923 5077.494771 2942.864753 5672.713836 4003.465018 5754.126341 5720.440708 6417.07624 2740.270712 2631.572329 1996.555335 2959.93224 1766.164681 6002.721847 3110.523268 1497.627282 3040.919535 4066.291573 1965.607337 3627.142376 4958.607783 2201.104639 2299.628985 2178.281443 2528.25308 2245.401289 2557.236807 4663.378777 2403.21585 2383.49988 2429.672275 944.3858457 2223.350647 2033.02902 866.4705283 3347.364144 4181.587021 5117.256613 6139.146992 2955.333181 6859.42575 5105.645375 6614.823725 4679.068441 3940.2694 3156.379862 3611.641296 2002.907478 3829.750884 3587.518948 2695.40852 5793.638507 4664.74417 3703.689488 3159.804093 1897.915161 1805.048039 4613.398752 3984.270587 4197.840049 7073.81171 3265.647499 NA 4878.156405 6883.125666 9582.994404 5088.09764 2583.826083 5527.735768 4513.225335 6660.74274 7285.427047 3399.553261 4138.134068 7188.636362 4284.531633 5565.425519 2777.599711 5538.664065 2322.792968 5938.912888 6629.511175 5060.024662 8648.699886 7082.393919 3035.269181 4586.58748 2794.482354 4299.677614 5576.938355 5230.103906 3866.72336 8848.825104 5958.221321 4222.011746 4654.088624 2916.912961 1210.735746 3108.222837 2418.305148 4390.004491 7119.412376 5293.658683 AICAR NA NA NA NA NA NA NA NA NA NA NA 4210.87008 2259.522815 NA NA NA NA 2259.555808 NA NA NA 3290.756807 NA NA 3001.514956 4895.218148 NA 15342.46199 2834.371576 19303.46147 4924.247735 1196.340293 6791.0732 NA 7479.152221 19601.01281 34352.59838 NA 9369.544348 1204.247778 NA 9398.999858 NA NA NA 6179.902468 NA 8598.873067 8564.415265 NA NA NA NA NA NA NA NA 10853.05703 8850.043324 13344.40729 3434.834606 NA NA NA 2542.215684 NA NA NA NA 4203.136802 NA NA 5325.262096 2523.208607 8651.852491 NA 9676.885107 11569.24795 11323.80418 4641.925426 3177.696533 8979.273542 14174.82894 4321.566693 8451.729563 8138.256603 7132.703888 8260.707004 9776.164773 14218.35096 3940.830759 8133.93337 2982.90529 NA NA NA 4879.884369 8693.858429 NA NA NA 9881.302097 3395.775243 NA NA NA NA NA NA NA NA NA NA NA 5562.963816 NA NA NA NA 5018.796026 12239.53633 10850.94924 3416.422898 NA NA 13468.60595 2784.273256 16834.08055 3091.242243 4019.377684 4088.641385 NA NA NA NA 20388.4215 6372.001817 NA NA 14651.09872 15438.63203 NA NA 13491.53542 NA 11968.31447 3918.927398 6871.102464 2198.725823 8094.950477 11392.49533 8106.690542 5971.794199 NA NA NA NA 4006.962768 NA 7870.493938 5056.491435 3120.189722 3208.038415 8034.698665 NA NA 12950.5275 4183.334545 NA 160779.731 170117.2774 8910.252145 10221.23061 5958.072121 6271.672882 11344.86911 5529.613849 NA NA NA 7971.800938 4620.754046 4890.918699 NA 2587.063793 7059.008313 NA Sucrose / Trehalose 154420.5213 41919.67122 23029.33977 48291.1875 15154.30568 8033.232831 97938.09612 93055.19788 96783.10966 94221.38791 91433.90741 90790.1742 90656.50295 84835.26319 80347.20347 83413.36016 79725.97323 94220.71351 85210.20142 79660.61352 79363.44118 83539.04327 94472.97962 92567.39518 96420.31525 1511.649962 35118.81134 151110.5543 41080.55389 4558.718848 54718.31553 2852.032821 106095.0951 42968.59476 9049.169551 44416.66742 129386.2389 250855.592 321173.6294 349056.1034 32178.942 141827.2645 77576.26053 106483.5662 18048.82169 492914.1327 46911.98601 2231.746843 197184.1524 37494.65011 33215.59822 41707.3614 11735.21605 29088.12948 27676.52331 56061.4325 53605.5855 91427.96186 86937.84164 63023.93647 8821.335248 111347.6354 104478.6409 129878.2877 5183.489694 105060.4744 37629.08879 35306.01287 3887.981024 67468.57669 70470.94023 37601.06192 8613.210964 151225.624 237853.0453 206822.7986 92702.48389 92099.35304 82789.2815 13887.52058 100740.8894 141174.342 171180.7854 96080.96282 79137.42583 129147.3104 144001.3561 166786.7082 107717.2811 66556.21156 7876.684533 54052.86967 14070.12344 98831.84886 192370.4182 246032.6347 154978.1725 66501.30706 79165.84363 36093.47024 39735.9621 10378.358 26848.36227 22742.90835 17677.39186 59431.25628 45125.9659 30006.75822 44089.9306 49239.05365 81797.24942 61361.68717 89246.98346 47580.98819 7243.658974 153522.8534 388418.2333 236383.7626 58816.53691 222457.8052 141255.675 366091.888 156703.9117 131470.861 20964.32494 51401.27014 145721.3585 73369.46789 47212.27165 13216.80839 28118.70219 10023.31072 39064.68121 4509.227425 17180.98341 50752.69039 5062.280582 28268.81466 100224.5125 111225.7308 115268.5853 69820.13964 80766.55783 159705.8352 80928.3122 54542.24096 11686.90854 81774.7224 67559.38213 8046.621289 40678.40542 174232.8486 266173.6218 182440.5248 29700.2505 108239.2443 111144.6747 51058.83994 3930.081245 40978.60126 29797.77489 35535.53778 3872.782838 51682.74327 38210.91311 44983.88888 132860.077 25259.95834 NA 58070.13761 163228.0449 3549.825972 96396.74095 138459.2142 133622.0726 174352.531 105131.2061 11589.86319 49961.52551 6744.253635 61670.16838 52095.89936 11148.83062 26083.29785 197998.3812 298449.0405 274188.0715 Dimethylglycine NA NA NA NA NA NA 2103139.263 3420435.33 2567997.976 2811313.208 2996034.926 2600576.18 3575732.846 3663341.604 3175777.8 3219395.524 3400026.897 3094398.136 3245405.058 3177316.368 2882820.183 2871780.914 3061515.41 2932256.276 2929303.771 1406840.365 6595070.573 5394554.906 3103722 2010533.853 2907068.3 2616939.589 2560677.214 2681914.598 1810913.742 2920356.176 1873967.912 3243387.504 2680579.778 1888580.868 2228616.578 2696645.831 4391905.969 2560202.376 776035.3423 1735815.376 7006882.685 2553331.446 3217003.346 481152.3341 1167508.607 839949.3202 2615330.46 594822.7749 839779.9713 1875273.84 753732.8686 1309438.897 3327380.911 2815034.286 2319210.592 1104395.842 1123122.721 2355577.691 2960506.397 1105596.782 1667223.067 1875180.134 3904972.068 1636433.239 271401.5579 582370.3291 1519026.93 3036331.449 2069761.244 2682764.977 5932044.298 5928954.277 4354132.086 3042006.635 2190538.725 4606055.629 1774141.907 2332480.075 1897469.726 2874345.134 1725194.426 2189454.071 2530905.529 4364506.464 3768990.607 3324650.503 1746373.537 1230358.236 1435874.127 2327204.401 1109772.415 2677996.174 1145125.817 509786.6468 1309765.179 2090107.274 811342.9165 390972.6558 428471.5022 252851.4884 676817.0609 270801.1766 325154.5643 1189949.159 1429319.149 2962158.58 362114.3527 932326.9311 826442.8849 578547.4891 1231318.581 1064494.741 1160708.324 2821270.775 2514994.131 4715932.3 5456144.096 2488962.879 2387124.248 2259031.806 2665891.448 1058554.139 1362958.084 1427356.522 2757965.178 1697566.739 3010567.675 1782781.097 697867.8695 1434937.879 1655523.302 2819981.434 1693699.204 2140613.896 2942934.389 3970827.175 1361320.072 1507744.817 1866206.504 2157414.779 1239898.259 2629342.734 3979092.484 3614489.485 2340790.478 1533614.288 1617401.008 2321927.862 1786378.608 2040891.659 1249609.235 2563121.27 4091551.038 4458330.36 2887921.307 1175739.213 3008930.47 1502193.251 2871569.552 2923133.128 1679392.894 2731207.38 2848568.201 2050609.441 3078254.481 3179492.16 3509128.964 3646371.246 5003418.419 3545366.773 4450434.451 2853093.206 2153605.362 1369811.678 973708.671 2417389.113 3025521.918 3099037.575 1436990.478 3055536.756 3061733.088 Ophthalmic acid NA NA NA NA NA NA 759582.1689 1281346.943 1043928.349 1386597.752 1216060.301 948074.7673 963232.2065 920107.3642 859899.0727 716717.2102 844427.6691 1010027.563 646895.6166 777773.1124 722316.9336 755883.5912 704569.9285 758832.8895 784453.5237 NA 1489963.026 1824397.22 297590.9833 NA 407625.135 2006.19927 748210.8221 748317.5001 NA 687645.8372 741270.5262 1203264.439 1294365.168 2169.303706 NA 687828.8775 467106.1001 1595031.835 NA 1092122.11 825896.2755 NA 1342009.783 155583.9221 2610.536812 236580.8557 3472.679587 156293.6787 184138.7779 2674.989743 82147.78739 370691.7666 687336.6688 945123.0833 3589.348009 93548.16776 204435.5738 4226.351117 NA 327719.0962 548653.2081 300472.1077 2065.665942 496758.8433 128534.9925 168758.3301 2364.095817 500581.2043 795094.9356 NA NA 952515.7743 986753.2028 3384.961792 578253.2326 811090.6327 859722.4319 940292.0258 2160.04817 846644.5444 821309.1404 2117.186825 1155368.745 1570856.147 3742.061978 561679.7901 3486.539826 226147.4089 NA 1321095.142 1058422.788 2180.991517 405879.3481 126245.9336 360500.1774 2178.046447 288626.5576 172733.7968 NA 103683.5205 NA 38258.7574 37315.22008 250983.5847 458394.6743 NA 194320.4301 254192.3336 NA 141330.3329 2654.198034 265894.8592 160720.6719 1034505.665 2232.127926 2087986.422 1931274.267 6300.076343 NA 1714361.219 500958.4641 712512.1035 439689.8145 2484.33736 705106.3577 3928.074621 589260.7317 NA 122886.4203 628074.3796 NA 925421.2886 857826.7727 821850.8221 1133024.153 2889.233443 40712.49799 1535836.627 NA 614817.1248 2868.051047 706483.2322 2706676.715 NA 1770993.341 1748871.398 2729.517487 1805972.658 3643.365375 365900.3902 291781.957 717170.9168 NA 880973.8032 286275.9185 253497.9321 NA 642550.5643 2026.244797 211161.9932 2072769.488 766037.5775 NA 445675.4205 459880.8037 NA 1581116.81 2289.4067 1281381.711 3517981.984 2895949.801 2596.705364 321032.0272 NA 311760.6362 912915.5856 3068.820765 282308.0281 720818.0905 NA 576137.0329 Cysteine NA NA NA NA NA NA 16983.90212 15194.71114 18743.40333 21575.91678 19818.5261 14952.75211 16303.00106 11987.14668 14689.21975 13540.65152 12198.41861 8531.544086 10810.05548 11853.16808 15648.75029 13185.90119 17233.79918 8916.340259 7074.736518 21113.54438 10035.51598 11714.76714 9421.394586 34651.36344 6276.374105 30929.9163 8152.885142 5942.110469 27868.96559 5726.38722 8146.604113 6604.805623 6989.148104 26227.05237 18673.82009 8942.308354 6521.507314 8623.940366 27789.63622 7186.762153 5921.630136 19474.45495 6599.315339 4889.244742 6668.490146 4390.9864 17352.20381 3590.967778 NA 16160.17655 3280.654247 4989.752906 5105.609197 5549.239477 4028.664404 9391.455127 7675.790137 16861.33337 18029.21724 3902.064782 8176.248371 6134.364331 15411.51348 6656.230589 NA NA 13531.55263 NA 5993.530795 16071.46704 17150.31949 6029.092001 5905.490587 20754.70943 8623.531683 8130.146445 11683.26071 8514.416703 16486.21848 8287.543711 9495.344206 18246.63725 5826.164462 9509.415342 17160.42411 10016.18283 3178.261965 NA 11006.78641 9591.167912 7831.48743 18867.09184 NA NA 10339.09379 16751.16743 5301.198086 3482.097403 8165.977588 NA 6930.958824 NA 4297.484649 5789.489897 NA 6331.206052 NA 3181.022838 9416.693857 4447.375918 3563.116013 2742.449424 NA 6326.741848 8357.472685 12145.01686 9715.225281 2842.997735 21872.9599 6120.248624 9077.993466 6435.070523 NA 3234.602039 10846.96422 4139.629831 9031.359599 9988.370281 6919.870023 10651.14126 19786.67926 NA 3844.996798 8345.826276 5333.260339 11312.03827 3597.368058 10389.19374 16993.60415 7152.034901 10885.10853 4516.517365 7247.715679 18755.18171 7904.930966 5375.438249 21918.86867 11680.91522 14058.09086 5090.261959 4028.473777 4480.940189 16057.36658 7630.630073 5381.836733 6759.843133 19157.87004 5366.725343 12646.68332 6318.647518 9204.441055 13682.52904 14779.37419 6886.864085 8229.068824 12370.93549 8900.740288 18939.6982 8300.850845 10907.64933 4376.168428 15413.5603 7120.786545 20857.13945 9246.883199 9100.507658 23931.07713 7859.09095 5049.476859 15980.89712 7374.766462 Lactose 159774.5164 43367.28497 13570.82397 42178.882 16762.64084 6820.509517 104857.8275 71187.89413 94338.85878 83446.38714 75623.44715 87075.12525 58694.3198 96265.56384 95409.30565 87531.08367 94830.97719 86600.37895 89204.44072 95015.55415 88651.67288 85350.14964 87304.17941 96565.46892 98772.99296 5112.256031 20650.07304 30187.00082 31779.76816 10750.39195 31351.96243 5264.523302 39788.67533 22364.25558 7659.71817 20335.75723 39331.66983 259880.6772 311258.5693 464523.4199 49981.85998 64457.19741 59036.93966 27354.97392 27310.65898 NA 32719.42786 5331.303613 28164.51658 33506.601 43521.80282 36648.01539 14302.97764 17157.38705 30251.45004 90979.58318 42936.63959 76449.85711 26225.90384 16044.58255 4970.662978 148785.1902 143355.9069 208595.9093 1694.616089 28104.41785 14619.62694 9194.499598 3829.954747 16888.49904 18613.02885 21629.93043 8961.471305 198751.8359 171435.3216 243486.8824 114730.8422 99855.01478 94270.89097 15563.30228 37501.88954 41186.32138 102982.7315 107279.7331 90191.62363 150075.4302 175319.916 177485.8283 25197.37459 17619.37481 6333.052831 34038.94028 11996.76506 20870.64194 304379.7949 231462.3935 189763.3287 85205.15916 51573.153 28531.77554 15699.4122 13707.62503 16246.73566 24927.43841 21820.27724 25031.15596 65239.35904 30636.6964 38588.67713 59812.25046 72006.90068 112861.6486 26536.95456 46950.3239 6253.388971 144926.7547 606883.9191 308558.921 89068.06185 169168.5766 206031.9036 240054.4393 282392.2609 216358.5316 28424.06159 36446.9396 25948.85294 25490.97104 19987.98231 17011.31927 19092.77037 11251.02716 21901.18617 5047.270519 12391.11981 16036.21898 6747.661063 25766.34794 26417.00018 43186.06172 51785.71935 117120.5299 86413.56666 89119.99365 109139.5919 24980.99409 8876.225066 29568.09014 34216.17407 9205.931714 28629.06297 248815.7461 331544.0726 272070.6161 35473.0168 50737.65353 39204.27971 17449.27795 5205.0607 24345.20368 10717.73968 14005.12505 3992.232781 44397.18839 51013.27951 40182.22974 24435.3473 11652.74638 3991.610211 24677.39482 33285.98569 839.4748066 140746.2442 177896.7532 137043.4403 44875.33889 42164.56624 20370.06302 21749.25857 7178.32148 25801.40053 21063.79345 7958.028952 13759.19493 260981.9098 398456.2414 304092.6235 2-Aminoisobutyric acid / Gamma-aminobutyric acid NA NA NA NA NA NA 4556741.422 3560634.282 4126966.258 4068142.363 3272269.009 3038844.243 2764343.523 2546279.285 1802725.492 1519353.396 2961565.824 2707514.449 2503862.786 2578438.93 1495340.492 1636365.944 2403082.757 1598908.218 2098394.955 6590295.727 3759567.21 3840480.739 2674664.187 3642028.934 2207758.666 3172036.523 1800556.831 2656749.371 2667712.522 1814478.737 1305514.689 1990827.821 2274542.263 3208015.519 3896250.71 2354409.979 2556347.012 1813074.67 3560407.581 1229786.851 5298548.306 4726613.36 2472867.734 116640.3219 585671.3994 399208.3413 1715905.608 205570.8001 335548.7568 1177824.675 269290.5567 713536.5047 1424607.738 2141835.923 926095.8011 525123.0765 752210.5156 1463628.306 2360871.161 586520.2877 843994.8016 856627.8775 2727154.242 887316.1395 NA 234979.0681 1098402.111 2303238.211 1541752.383 2719703.567 5218668.415 4185472.922 3311640.649 3405135.359 2194300.883 3579796.645 1409823.826 1841053.788 1468748.393 1662309.136 1598455.042 3399056.966 1950002.696 3109409.284 2390129.043 1863949.196 674494.8307 582178.6856 566476.9669 1617531.756 936412.1012 2138315.946 205770.3015 69088.01647 540670.7542 1234329.637 392175.3423 182877.401 329299.3338 119148.7632 349697.3554 33886.55999 52866.97235 209773.4809 684809.0659 1256701.715 146590.0397 396797.5887 488604.5017 NA 577251.3712 484648.1243 NA 2132423.65 1615015.35 3923598.305 4808988.914 837516.2574 3198519.472 1401076.511 1668427.703 871430.0353 1120301.254 415243.9752 1667644.139 590263.306 1441207.835 912517.3916 222824.2828 1279853.302 2839912.815 2589640.043 1322547.228 1787970.396 1861621.545 1811801.233 1337346.506 1099824.358 1753634.133 1382527.706 5000957.24 2003888.786 3234167.29 3156853.409 1778663.188 412062.8541 694129.823 1536549.565 1433464.112 1405866.959 801172.6664 1432544.984 3759386.817 2815401.385 1988941.265 815745.3265 2436380.55 971873.7906 2192145.349 1687878.439 996400.2739 1802859.298 1640416.097 1534504.928 2296401.63 2928873.782 2573659.568 3892304.534 2794534.47 2166844.61 2823458.557 3254219.255 1470757.145 1449583.621 625409.4019 1569929.818 2229281.567 1317261.83 1216163.184 2334446.129 1903194.111 Glutathione Reduced NA NA NA NA NA NA 556213.4485 483595.5966 553454.1106 680485.327 664959.7268 656647.8858 531556.7076 456904.0114 525490.7561 496143.7259 520125.2212 608666.3872 555115.1802 528500.0493 540074.2082 551533.2685 455980.7551 430947.9922 420503.211 NA 114240.898 803154.0866 711600.1432 9240.544835 623919.7142 12454.68377 893922.229 457766.9099 12481.78964 572873.2407 794892.577 619581.284 1068053.017 15232.15408 11354.82504 570566.9839 165208.1259 184287.0849 6040.42414 513306.4113 359127.0435 11629.91114 778868.9973 81961.07011 7833.070841 109859.8745 6971.669898 53612.53964 80240.11361 6805.220126 75042.88864 642239.7688 223251.9222 578555.8663 12634.47394 56057.58727 132722.6721 6924.327368 NA 416539.4785 551411.1795 35320.21678 6041.332152 163572.1289 41627.18769 49099.20116 4900.20169 342329.2944 1551275.845 12394.97422 5205.119853 140748.3848 180012.4443 6064.400367 882894.4624 331279.5514 499631.3505 303826.8923 9570.966222 244765.8168 595173.9837 13082.2885 686335.4196 410721.8117 8772.010057 150257.673 6542.060796 127038.3973 5442.359839 597227.148 1460096.008 17199.53351 121404.6087 43971.09575 224302.977 6756.068918 275785.9969 309262.1353 7124.409844 229877.4926 6114.06092 53375.00212 46570.18476 96022.62381 250911.5959 4232.634436 438258.0638 371549.987 8415.856044 194279.9124 6477.721469 622945.0472 33946.7648 700851.7208 9680.8925 944974.4943 201390.2871 8044.654995 9206.833814 294302.998 222913.8405 422202.8077 171453.2066 9241.730236 233569.8093 8234.410589 134393.4254 4714.295841 72049.48187 418272.3903 9927.723619 316206.2462 618272.0636 829256.466 733540.3546 10756.05551 12860.23667 905183.1936 12468.014 266758.4066 8092.917438 240159.4831 211835.3134 6525.134356 330274.8648 194095.4135 5247.292787 140576.632 7936.198705 212534.5309 236034.0985 212137.298 9125.867593 227664.2349 102411.9576 215345.7076 8745.148431 388653.098 6422.636259 40044.24909 459635.084 295703.4628 3844.705609 644972.4289 1019614.795 11869.55518 447172.1732 9724.656181 78993.02965 855932.7196 322587.5048 7150.747312 174120.7323 5730.110127 346872.5231 777325.9439 10985.3981 119161.9909 196902.9785 NA 108797.3104 Hypotaurine NA NA NA NA NA NA 142047.8304 135557.6779 136969.6922 136705.9 114973.1006 99132.30902 83736.75994 76557.91565 79535.7876 81686.67992 80910.83046 93481.90575 89873.02295 75399.65549 84327.9362 69844.05388 77113.31576 77231.06706 76206.15259 92118.61227 66452.73258 159241.4641 15574.8623 190796.3933 71406.82131 81268.34921 46068.82515 76126.04848 60923.27541 19641.89889 33313.75681 27306.96282 221092.7754 159187.699 71146.84721 59304.62473 10459.01406 99673.90391 78973.23068 54508.2506 9486.245997 118492.9467 108644.5565 17042.886 31242.12533 14654.15344 75023.05336 27011.03812 5707.965174 46746.19595 5499.50024 39955.92974 38977.41107 127629.937 27241.13047 63085.81009 162828.2603 43177.04568 70052.11218 101781.7085 79208.87055 24099.00419 26155.69166 44079.94182 10888.54298 7721.820767 43398.01272 20691.89059 101290.0586 115034.0395 77921.46075 30830.81615 95453.04747 58251.55015 108647.2048 98414.28449 331943.0141 207444.4849 115886.8434 104552.4547 156372.5831 115340.9114 74465.64835 55819.00202 31208.41592 85542.25465 17975.06466 46799.55475 31784.07136 99856.65713 123210.8223 196825.2483 62501.8999 39236.06601 13952.03046 16872.50903 16168.67455 5399.491266 19677.84532 19110.09373 19337.59346 8160.562542 3910.215732 13011.32895 36518.55994 38824.38405 15330.17288 9517.304683 35296.02346 16312.16291 27613.51834 12458.49356 2740.495859 31876.02506 51143.82729 224604.6559 140410.0796 15176.18384 42809.72109 91995.27061 94815.86255 67940.68258 17696.50696 36944.36373 107060.1558 17990.7527 51397.47247 27878.92501 14269.37117 85564.25894 50501.52521 41034.55206 46852.11021 153632.7911 82907.91872 23538.2497 89655.95157 93624.1236 45458.35233 239483.2857 115734.0658 110870.2268 79331.76373 40526.235 114930.8853 102048.5282 31826.31619 79471.97707 59424.11131 76029.55689 106642.3153 138583.6655 87856.55799 50535.08976 85393.58968 100697.5697 95907.08643 74976.10709 68591.53403 86279.87402 45001.343 36783.43093 20224.74169 190419.6712 125366.2911 151893.6894 34910.34133 59302.57949 17354.1566 172067.885 19507.07611 71049.92939 11891.76962 92318.52662 45132.18243 58290.38556 39181.53021 27693.06895 82775.31541 47740.93766 32082.81849 Carnitine NA NA NA NA NA NA 76731619.57 70074274.94 74564319.12 72492681.64 68217481.88 66398707 58382752.1 53485942.66 58927849.65 60745187.2 58242553 64552281.5 62426086.79 56938277.92 54202083.78 54865790.56 57029554.8 52566093.71 53148140.99 65945422.91 65066194.95 52343608.88 47730887.06 64312313.96 56424399.73 65762523.53 50054121.25 81413950.27 62990997.55 74943792.2 39709956.2 72878733.93 61191496.59 66053515.28 70591198.86 42318064.53 67723135.77 80826584 69693677.85 37969407.25 52312352.59 63131410.38 46363399.95 10078942.59 21961188.02 19288567.29 35687520.34 9049448.768 13696265.3 34370236.32 5505759.104 25582053.97 35416226.58 32471815.1 24810758.76 17949032.7 19783476.56 34871046.85 53170286.76 17055094.65 25483476.4 27272056.92 50411077.64 26904921.24 11144436.03 23810570.47 51314110.85 24725386.57 29419407.59 46787656.2 63312785.8 71683486.22 48490114.17 65118156.99 29923463.75 68161562.33 34830754.82 51310580.07 43978747.17 61758302.09 42916902.86 62077316.07 33942102.54 61052836.9 50162908.42 56823627.42 25432628.29 24821078.78 31070819.09 49057954.7 24911651.22 55970597.73 22254485.79 7114682.105 20651468.88 33213422.76 12212618.7 16106463.62 12677708.35 7396894.633 19292081.3 5949695.207 9533410.551 12709529.38 12758798.28 23590874.05 10458373.19 12895316.46 21952412.02 9358170.049 21073118.88 21022734.98 18971966.17 43383733.62 28763017.84 48384770.76 65905334.18 23282032.16 62415063.8 36165609.76 63597812.17 42279365.94 67707320.69 14841026.73 30196891.69 17308868 34331814.91 25308272.84 10555270.26 27285430.3 63007096.23 64947018.53 34841173.01 42249066.31 60255733.9 32776819.53 66369795.12 42745131.96 62182206.26 41367814.35 67478152.46 56959044.33 48706951.25 49086217.88 25161819.37 34720471.84 63852005.27 56114164.6 44632302.9 40048660.38 20155827.66 25546469.63 57391712.39 52561438.75 49661879.82 20185689.05 45620722.55 31424229.83 43772283.89 45500120.65 31718262.1 53727616 50079283.43 35580055.25 57748353.37 60079658.38 38497338.57 49699415.78 56495448.7 40990018.91 57116213.29 59440812.26 73267480.36 70565710.88 40868055 44316855.43 59229850.79 56811264.29 27706682.16 46209086.45 44958905.52 2-Aminothiazoline-4-carboxylic acid NA NA NA NA NA NA 404588.14 366661.3785 373596.7531 403471.9709 287587.752 252925.4709 165121.5774 141976.1165 179515.1703 212013.452 189238.0366 222691.3817 184560.5543 159405.4829 145410.7114 158033.014 136088.0505 133746.6592 135751.5992 912757.0718 37804.15796 142669.5221 38344.99658 1050346.331 46047.50642 1183467.896 66223.86415 37118.95146 905361.2754 22729.2376 84951.36563 35020.27124 59638.38668 2901320.866 618916.9219 66394.95989 38778.20848 103844.9758 1101233.572 269696.8084 20497.81736 986871.5978 129384.9087 25229.90582 129054.4177 19225.8836 318015.4298 14926.31072 12612.69601 504429.0212 27709.80848 41941.79159 33933.25233 44170.5847 63898.99332 38862.24317 62922.51684 257870.9946 373859.8589 108214.2833 13186.3052 52743.69262 276346.323 213026.0385 102270.7974 48877.24009 249965.7793 20295.71171 85186.60162 533371.4752 290325.4407 19408.60041 30934.27279 605167.7978 55554.19885 70757.47758 80275.90872 15127.52561 364318.5176 12845.82298 30237.11919 585871.676 103347.4468 38639.54319 324131.7538 25380.87042 92782.79136 94644.0478 194681.5024 42581.58133 20812.95691 395773.42 28815.00386 20322.92454 23126.96599 174167.1426 28963.84038 9254.494177 159993.3112 41515.06977 101640.7202 8542.803701 9870.571756 12839.32338 33662.42855 100257.5141 135460.2623 26160.1375 154333.5499 8693.37037 73113.61737 9160.880764 13863.44713 106772.3984 131890.7082 157453.3192 35544.09849 73273.93111 628663.2252 34426.60658 707736.4746 55312.04474 31115.09025 46354.16442 31083.64177 65906.07798 27426.89168 199734.8852 19355.01701 56987.15517 387475.9994 9960.686172 36147.44622 37721.00422 18582.17396 515837.4439 311932.9347 97167.32916 918637.4379 17672.75904 546899.5345 21529.92829 39938.92992 439000.9949 52142.72778 81889.60538 816646.849 40193.62729 331422.4637 45082.38586 52651.6918 40569.13718 792497.7063 29584.42677 51660.98844 45335.14763 572675.8002 23560.56706 412449.9391 79225.40172 114296.5561 92198.59918 192524.9077 20709.66754 41523.01599 156326.6376 26586.97777 375449.0401 40820.39604 54121.1186 30865.81763 225721.6424 32857.56664 317071.0071 48836.13903 23151.63714 303538.5975 57666.84183 35339.10619 340285.3517 89525.5241 trans-4-hrdroxy-L-proline 13459.2124 17436.27345 2790.439276 NA NA NA 5166330.463 4411578.122 5394392.112 4885287.709 2505727.831 NA NA NA NA NA NA 991409.1267 NA NA NA NA NA NA NA 2559067.416 NA NA NA 3401153.934 NA 1166112.927 119527.3648 NA 4307438.926 NA 625314.2124 NA NA 2967354.095 3178935.824 819320.8226 NA NA 2385527.12 NA NA 3963327.442 1168366.401 591930.3987 NA 869489.979 NA 548124.4461 639274.1498 NA 467638.211 749312.4464 900789.3264 1403089.523 188371.9821 982100.1816 1015191.014 NA NA 691810.956 482096.9054 371831.1883 NA 419145.6644 756232.8324 1322668.441 NA NA 588882.6344 3286778.3 4070686.492 NA 1889921.174 5274296.482 2809417.858 NA NA NA 1536559.481 885339.2416 3132868.981 7390800.468 1091726.92 NA NA NA 519620.2733 1576296.822 NA NA 1308801.284 512685.8868 485859.4756 309116.2649 2211487.472 NA 1774010.016 847270.4101 862085.5325 709706.0439 1229748.401 619536.4104 770866.0439 742877.9677 1010220.25 NA 337592.1283 146121.8399 37152.93453 1246421.999 1357080.359 1990945.398 844479.9976 1481150.258 751373.0834 NA NA NA 2107298.074 433246.185 NA 874345.0013 NA 429840.3109 NA NA NA NA 484844.372 511179.335 10589989.13 NA 5210279.394 1572569.225 1536427.092 NA 3931418.843 1696756.769 3227247.883 NA 2621878.389 NA NA 2358957.538 1799525.951 11896596.08 21896092.75 NA 2945267.6 NA 609153.0035 621585.2878 2129304.878 NA NA 1097392.316 2554300.784 1327028.366 2616199.328 NA 1282511.419 NA 2156523.342 1791935.358 853266.2002 NA NA 1823847.171 NA NA NA 4370793.705 NA 1221026.008 NA NA 822645.0879 NA 833238.683 406101.3724 NA Creatine 160875.2487 281318.1886 182359.4604 37577.34712 88389.70847 63590.81215 62423679.01 34824570.07 26551874.57 28272295.3 31500408.02 37643187.33 41831031.8 42055255.28 41360719.61 40673149.4 40525915.21 37883387.32 37853596.52 39035898.85 38560161.96 38696500.76 37682672.2 37639005.54 38313297.48 4574067.605 48632627.77 54936023.93 36894129.99 4334197.13 47369683.03 2376953.001 36005957.08 15180681.9 6505116.585 30756190.23 44824877.96 56943047.52 63508915.6 7690333.531 11192728.17 61984230.86 50896527.75 49790829.14 5254193.782 56372110.17 32805672.33 5647047.979 49147428.92 20544268.13 14740319.83 30991397.7 8302406.85 14639977.33 19018755.37 12982136.84 29219879.26 52275685.53 42321954.59 39676822.88 6435250.294 23649564.79 30020490.57 15803951.67 27892512.27 32294510.92 45005186.98 28758885.81 13835123.33 31739227.55 7486756.166 11110679.63 9567055.496 45253626.55 44799866.61 17164596.05 9554895.039 44983329.21 40896919.66 17435527.06 42665284.4 55823193.75 65760705.81 70400706.51 16473668.48 66357444.67 60419030.77 14713367.47 43017470.18 48795275.95 7914541.075 34942256.68 6657358.635 16890942.85 13023307.14 47467050.73 38953196.63 12693856.32 37729257.19 16940574.08 24530791.67 4716611.731 19185723.4 39099775.2 4913671.852 32198684.93 9960775.168 12587814.57 13505246.67 17824742.14 23034939.25 10077415.97 22561653.5 32791619.74 4052894.148 18258914.2 7642659.526 27319302.41 31898969.98 66438350.53 14706574.62 60074426.4 55095864.82 9883709.938 12742695.2 42897300.24 29934398.81 47775560.66 44249130.77 6091362.575 39807409.7 7932447.702 40222180.93 6856544.074 11704477.47 28048052.85 13472481.62 42925914.7 40247698.61 59283182.36 64385995.73 9669640.403 18871694.51 50018697.15 16887944.04 62026848.46 26346255.12 60925405.55 52043051.9 18349812.72 47959876.5 46106458.03 10866237.59 53497059.22 12965560.61 50541316.55 42364448.17 49397531.54 19637280.57 58565567.64 49505460.97 38040703.18 10789741.74 56972354.34 13830130.96 37622652.77 40230179.43 24148544.69 3454896.673 42457202.79 48825122.55 17718798.7 33718021.9 10185784.71 37995485.59 58977431.66 63315102.13 15601516.16 42522288.83 9301165.546 33493245.84 46193048.72 15245135.83 29165806.61 22930606.27 13069382.63 27199582.68 Aminoadipic acid NA NA NA NA NA NA 259790.3455 236192.5777 265414.9561 308619.276 252753.3625 247653.7554 181522.9489 155408.1539 181848.0727 194038.1052 182294.4623 219133.1891 210204.3003 168158.5459 172860.9286 165911.5532 185823.1281 169135.3614 164195.0904 138633.6404 166758.9664 101062.4052 203357.897 198075.5632 119761.1231 145014.2553 95131.77728 171391.813 232353.0087 226158.9917 94201.29252 230285.49 118935.2901 211387.5757 195800.9898 71488.4184 231670.8915 372216.4093 314426.9126 106599.4564 346535.4705 261278.4703 146884.2171 13798.76569 45312.39058 24456.91511 114045.8212 18538.51249 21793.21481 92420.47896 13722.29745 54582.8134 62802.86426 87223.54637 34443.00533 53202.52805 82628.27362 176701.065 192158.8346 51573.22711 82568.20637 33468.97736 106061.7278 38312.81076 12884.87334 23243.76085 83706.71766 156369.8888 97063.45841 159720.089 239729.4386 143038.7155 98206.42866 722902.7706 239217.287 451298.7372 69593.45507 95026.52436 97883.28092 138224.9664 127341.8887 411310.2242 97364.61047 174835.5156 250859.5772 130265.7402 55859.90739 44277.45617 119710.3596 130472.2012 95285.9366 99444.1103 29872.23254 6521.738977 37319.31729 78747.32598 25594.28553 20966.22631 30831.58121 10228.18735 33167.813 9867.430868 12616.05787 13098.59814 24941.05769 45270.12407 16843.60209 34612.77627 68736.84724 16087.31956 28567.44252 38747.90738 14971.38387 77289.25755 92479.63503 282287.1112 482689.2391 102242.9123 146587.2349 92184.95852 136842.8877 58735.11417 87734.10049 46018.81265 71822.01179 34399.29409 74728.81139 29481.06871 12060.55032 44970.78059 226870.8504 194548.5823 98879.79223 90367.40615 92528.76777 175586.6825 206006.6123 121326.4585 213450.4759 62906.62496 519124.9589 90464.17767 195606.4071 267875.4631 121641.9006 76351.10025 149040.0884 108459.6583 128786.4759 111939.5086 51746.99666 72485.282 183385.1917 133936.1294 70579.89522 29809.79152 95473.68897 60187.03486 199531.9274 163806.4737 72369.66064 102393.3602 75639.58486 134306.362 157193.3559 178108.9986 152594.9524 208620.698 185278.7098 49353.06968 68716.57517 61041.41674 110187.0987 123074.9158 54379.7781 62962.70278 114502.8036 95995.88233 167242.508 302881.5519 300953.4742 4-Imidazoleacetic acid 33926.37086 52394.44617 20330.55158 3594.108676 11103.30493 5013.846069 20052.09761 15970.8379 16434.01453 16366.50277 14486.41184 11574.77569 11593.25048 7246.852531 12088.77206 11404.59351 12649.86085 10704.08824 10455.97902 NA 10473.65797 NA 8601.04995 6693.02844 7872.997436 8621.438645 9555.686695 10287.14792 42622.29888 8476.955818 13670.75719 6027.802071 20010.33248 14678.25272 45898.54349 36822.42701 22525.7934 18097.19881 15454.5935 11678.82414 5221.152219 14731.78822 30968.76431 9236.740057 7237.880142 5607.333408 28091.16507 6379.096255 20126.38124 1905.121199 2367.12354 1398.744687 3215.37595 2527.670414 2765.47031 2428.06904 2617.655739 8567.579025 4733.853472 19001.77974 2174.307469 2264.942875 8617.427713 2210.930045 4564.688748 6858.09966 7631.856409 3233.465732 2341.038682 7042.881935 2794.974032 3891.433075 929.6931597 35436.15784 13832.21599 5040.483035 3057.635593 8118.142646 NA 5716.552935 35255.06132 9164.207927 NA 6711.614693 4351.427555 3333.795958 7604.964258 4630.300751 4329.01701 6358.443786 1578.452737 9860.186542 2803.278011 1767.748306 4018.906868 6661.868735 4490.090224 2908.227308 NA NA 2246.825343 3201.680729 2412.478748 NA 2731.031945 NA 3400.468274 NA NA NA NA 1944.9429 NA 5822.393796 4209.015248 NA 1202.070697 NA NA NA NA 17144.68047 14477.63542 NA 5368.116329 8107.030794 7966.824886 15882.74189 13809.20279 2497.855518 13692.6634 2045.555782 6611.20731 NA 1067.387751 20495.36049 4806.629688 9555.598277 7831.55643 16053.41865 5255.693141 5542.023791 6778.371547 19985.19165 7227.937171 16069.39934 8290.498705 15516.26997 10565.80927 2442.974166 15491.59516 12832.46979 3056.897712 6092.06977 8615.00302 11349.26294 8220.226786 6736.620523 3598.126557 6336.467586 11352.1447 10998.58746 4282.410668 16237.83166 NA 10909.36627 16233.85134 9210.746711 3488.255093 12063.61878 6794.877485 6639.823682 16711.04526 3368.016698 10507.68921 14096.56878 12574.83379 4686.147884 12415.1691 3993.001298 11811.90536 8643.076021 4320.272718 6181.935971 11558.48139 NA 16637.76138 Creatinine 98620.87844 121611.6537 81223.27337 20230.85043 48707.97247 27131.73817 38537547.74 38909774.27 37840943.19 34683560.78 31303473.16 30412431.38 29279379.01 27738455.98 29497869.06 30506993.53 29044167.15 29883375.97 28289974.31 26361260.53 24673100.36 26441313.92 26016262.81 23301092.96 23796413.06 49106134.23 33572534.19 26641516.44 29582629.35 38796366.89 18837567.59 45293286.74 20455923.07 45289052.08 40608079.98 32870468.08 13967072.85 24279637.42 16368622.78 35086852.74 30482637.05 9901743.754 19800135.26 38479849.8 47020093.42 12270348.6 26223787.91 45973229.62 18466669.64 11003643.58 22872359.81 14839332.33 19952040.86 9089419.404 11399052.22 22509504.28 16991077.67 10722411.25 17916265.04 11447053.79 25083932.79 14820872.44 12124133.97 24987144.45 31820102.74 10882973.22 15143795.57 12696763.29 22074706.31 9547794.571 10378567.87 16604302.5 28725951 19802234.54 7842190.934 30159742.66 30680243.78 16260832.42 10537824.62 34677619.78 10018742.53 22145675.04 9455077.207 17132382.2 26007634.34 17821168.11 9642837.25 42201598.14 14194453.88 24617577.27 30805645.81 15448649.66 19350284.04 10406534.71 22711954.6 21457871.47 11049185.74 23470254.22 9577330.727 7025873.539 20023834.59 27484228.29 14506120.25 12195969.12 14091434.71 8532900.287 17806877.53 8739426.889 12475228.44 16922850.88 13256136.17 19868802.26 10218072.19 18662119.6 20228901.84 7866807.279 20387579.78 10420031.89 12423462.94 9392049.656 13177535.5 15210229.94 23317634.43 18622835.23 39144531.73 13397789.67 32327993.99 11464514.96 22038607.28 17414365.43 12356420.21 19349280.93 17359408.4 25683574.98 14997545.11 12405217.61 29748365.33 17011078.16 8650675.201 9671015.362 11091288.43 17164866.3 33912697.3 10945950.8 29977706.15 10779533.41 28343754.7 13645006.53 20815301.92 33456673.89 10940438.04 13362638.89 33310745.98 22190069.4 19301862.7 12499028.59 5859032.77 7135014.248 24982753.16 14125653.18 17543999.36 8269749.856 26290063.09 8622437.627 26209452.5 21877451.07 12767542.56 34326778.69 41478959.33 8158867.132 14295971.18 31529240.25 9320175.211 29342831.58 17666395.92 12822132.7 22521649.74 38895578.66 22443396.23 31481313.73 10044338.07 9832386.2 23697527.9 19289315.77 11068061.28 26654361.4 18976685.92 Trimethylamine NA NA NA NA NA NA 93298.75203 80698.60799 78733.10624 72735.96427 77402.99521 71378.92717 70520.9793 56612.73191 69321.95008 78402.19143 63332.19826 70951.22267 63222.13452 65372.37684 60270.70353 58758.21839 61612.99614 60927.06097 56366.333 40005.51325 83179.46142 66640.70686 38946.10919 60065.37748 65910.96141 33934.32144 68392.84703 97930.50108 45739.90549 174784.0776 86249.44429 68456.14768 75842.13885 33890.05403 41277.78818 41579.29211 38048.51574 96900.53517 35717.57805 51647.9497 90626.10673 43749.37443 55111.74993 53862.28625 34786.39366 48879.47931 29856.79627 50339.40645 66335.46719 41302.53365 68945.37133 73013.29935 63543.98506 49219.69356 32588.56278 41271.23817 37418.05846 39312.35604 33339.6984 31153.44686 39273.31361 45167.78096 24310.91392 35718.8079 37217.79121 35672.03337 26887.89283 106700.9957 73708.73231 60425.54153 40186.03955 68729.72285 53519.52504 31687.03664 52222.16411 61531.47327 37675.35878 42064.39585 28525.50742 71848.02184 66784.83669 54481.76053 45253.06018 64878.35111 30640.54203 44604.40553 37970.72913 32717.25195 29617.41767 45746.26275 32712.24316 37169.47149 71059.30215 56061.15803 20455.13301 21619.60699 19860.07306 49525.11742 21531.49308 35489.43857 22823.66376 47013.55051 44493.65507 31797.31972 23766.78854 19732.44877 49137.06966 87624.05986 30900.10357 70294.7874 43085.47811 89626.38837 80214.04814 64371.37518 28615.61644 43677.64216 58696.54408 32368.10199 33824.53143 50025.61921 51102.35197 44796.88346 52071.8639 32415.63741 27222.94333 26652.11388 34699.98146 20106.19505 34467.24169 44795.60571 43565.55262 122661.3886 65278.15592 75820.02522 78477.61272 25609.23848 41587.07609 33913.86849 30031.46676 64894.56755 60440.61318 104170.9038 50210.70497 44313.61852 38327.50705 35229.12625 39931.93936 42490.70194 37095.67605 49262.15183 29340.63727 55595.45295 31425.34978 75210.15664 40064.87326 30763.85577 36387.66885 36598.25502 40509.4419 45435.0693 39446.66594 40011.05791 37799.39457 66440.89762 76963.09274 39164.05922 61929.95419 39413.34835 77134.81139 47301.06457 58905.19353 45955.76047 76656.66514 17901.3581 49180.19319 42218.57322 34395.51618 36627.03535 35651.49888 37925.08781 50366.69933 Choline 1642448.831 954171.4628 600618.7894 482912.6864 333992.6046 213615.1471 81785838.63 75389262.54 76775119.73 73198828.87 68795335.28 64994212.01 59163847.55 55368159.6 60444584.42 63917332.22 60107878.36 65096610.34 63103192.1 59234331.07 57492767.38 59107025.43 60735854.43 55523067.4 56847294.23 37140051.81 76156189.71 64015459.88 78926577.86 54271578.08 67146888.07 37814144.27 60019904.06 89998401.68 39059209.45 141021585.6 81613415.48 81591979.16 70622637.19 35013637.01 37501469 40017876.32 53317627.54 90795136.37 36583541.19 48991430.86 64306354.73 42990282.88 50866492.85 44649223.6 33937201.42 46100510.44 26788452.26 42043725.14 55143716.76 39064983.93 83799042.22 70955190.53 58735687.88 46614043.04 31531672.22 37522002.54 37387848.17 34434268.24 34515012.73 25947724.77 34750756.89 39587440.38 21910862.54 35243689.44 28119683.57 33604080.32 29268830.9 89831845.35 66893637.51 54666161.1 34548064.95 60284832.82 46153118.9 29539081.79 46752082.34 59428327.52 32153224.79 40126101.65 24769156.13 67277411.98 60917935.04 58087769.44 44219274.35 56688522.35 24747003.61 33406094.9 27096916.69 23085423.22 26668210.9 46201957.24 31259912.65 32157913.24 67239240.22 46284617.22 23344076.08 21483288.01 17588775.33 40381023.38 17983367.29 31325383.93 18758560.54 37887766.98 35799751.45 27499710.84 18709245.47 16976903.75 43937002.7 56108732.25 26142960.85 55556051.35 38744518.89 76142327.87 66201972.81 62446455.95 25426680.05 36307640.31 50931667.65 29960473.29 33837876.77 44623063.61 47357763.39 37373238.95 50328489.15 26469711.85 24441760.53 21500568.37 31067291.09 19120250.34 30189859.72 38559108.77 39279147.59 107197798.3 58875946.62 70428596.81 75645108.52 22598168.03 37873934.1 32651884.99 28955981.07 64491420.26 54923069.23 95177191.2 49078348.62 41215035.89 34624018.98 29634078.29 33601543.91 39575373.43 35114130.09 45527492.46 30890844.57 52618282.71 30953778.02 70247170.75 39376459.34 24310060.21 32191226.15 34743019.33 38805064.6 41818030.8 36081690.8 37814771.74 31045582.52 60756349.18 70612172.23 36165547.51 53648285.17 40076836.34 72043718.4 43270737.91 58212169.46 45329503.51 67630118.61 30154142.29 45566948.43 41182201.31 27362745.07 31866084.08 30817553.37 39227704.08 48935485.73 Raffinose 258315.2577 46154.34981 28428.60976 64423.32271 12463.65957 7299.648302 21179.57677 26400.32864 20955.93739 20766.53998 29671.91511 30564.94282 27265.07115 26551.71345 26960.51551 28864.82021 31475.49964 29012.79366 33732.59327 26294.1763 31330.79539 30069.59366 33171.35399 32348.3887 35624.78086 5305.779674 43047.15767 31956.88429 16490.75657 9257.438229 15992.72407 4569.099604 21732.01045 27860.47633 14705.2388 25979.48649 14515.5829 36943.99787 34332.85041 NA NA 23475.75625 37797.91901 37063.93903 6312.969757 36126.62546 23626.26561 NA 20812.52439 20993.73201 4082.290085 35798.37176 NA 25404.99783 43410.43974 NA 19153.90764 40095.06547 35888.78356 43480.06993 NA 56384.58539 78923.36331 NA 2015.481579 49546.86544 49971.83631 37318.48628 4309.932821 49937.64595 24433.33321 31343.60491 2166.012613 35633.07447 31691.59636 9715.360836 4185.252592 38398.89725 27061.69801 7889.085799 46685.10996 28069.40081 34231.18259 22888.71063 5615.268639 22150.15743 30860.02954 NA 50828.23143 37799.222 7103.358403 31434.60417 16728.30794 54729.5521 NA 28146.63463 28721.16306 4623.200029 40648.80372 25217.38757 53076.06135 NA 38451.24561 34154.2174 2096.417936 10668.72699 3254.715452 18760.19549 21323.52714 31183.95054 41962.11155 11017.44196 20725.5778 20543.80301 1996.423633 8249.15853 323.8963869 20513.47877 19342.12457 25445.12685 2576.059758 28614.84249 34998.23021 4971.18898 NA 34862.53002 90242.14987 19620.24265 19381.76151 3117.89666 29444.16632 1238.826143 24055.63717 881.5130365 23669.62535 24656.85184 NA 39935.37996 30425.2511 30347.0317 15124.37017 2588.467759 87956.90003 18548.89505 NA 28016.37852 10445.67149 38358.8113 31505.36961 NA 34871.45955 18721.62447 894.5364221 28669.59694 15499.14078 47106.93133 73256.18003 67089.75027 NA 36204.21207 20452.80239 58059.8843 2815.827068 25666.3209 4988.548094 69128.93838 24733.1658 64180.96534 5400.515263 13848.01514 9997.100689 2115.958057 18557.88191 2599.696572 27538.77819 28792.27102 31636.83138 3863.436445 40886.48308 NA 28233.69171 40612.54312 8184.263856 61116.25695 36960.2725 2260.1721 48141.68045 AMP 80643.58013 43226.09446 31665.56431 76393.60299 41865.9138 29594.45393 3179119.023 3023817.62 3270981.547 3809403.01 3411083.799 3260627.225 2751433.732 2454931.647 2567277.992 2578161.603 2606655.688 3097295.198 3047043.901 2835025.66 2872411.25 2615312.25 2791602.883 2859531.805 2784231.17 215630.8914 2084620.81 6268671.191 2123668.679 664156.4529 5663114.618 539574.2246 7322119.718 2044888.972 425663.7486 5909881.852 5744123.984 4238554.363 7976660.454 425384.6476 280327.0093 8381333.879 3003772.821 3209744.567 158409.6345 4677561.083 4255342.221 727341.4142 9150694.294 662740.7673 185061.6691 391268.47 176202.3916 648993.8543 654028.4594 464943.4153 273043.8592 1687639.375 2029393.129 9165547.925 171492.6231 524140.3101 2601818.177 117872.4695 104193.5093 3952881.126 2467181.24 1053261.783 136555.7224 3460515.917 1256999.235 815025.8824 344013.206 2270281.35 6561294.533 362310.7445 299039.5364 3754186.915 11292102.62 308180.6414 9927867.801 5272689.649 8608932.14 1942550.306 589455.2194 1258519.627 3377063.739 489081.0135 9553972.392 3311983.456 336826.9685 2319115.881 100451.8374 2339461.617 82756.8343 2316288.55 7962480.915 502206.7345 1122086.367 1205886.069 1132389.999 152198.8034 2621774.091 856353.9249 86484.27404 877488.1257 117624.3205 693329.548 172600.1643 271273.8695 1617427.913 141792.3516 1533713.131 1137600.818 196816.7698 903452.4441 83408.22094 1087670.018 330561.0022 4314583.796 299304.937 13408678.46 2232467.468 98479.4282 206911.8913 10575977.82 2794868.547 5954557.093 1992172.499 181100.1162 4349697.341 84804.18988 1694977.582 136766.7834 587137.4368 6054513.225 184723.5922 3803992.778 9221329.911 12403088.35 5815608.822 201853.9455 758330.8425 9746409.341 201611.0924 3974813.163 305946.7145 3263583.833 3642618.884 998121.0579 7718831.42 10686018.87 247413.9467 3410729.856 290319.6056 2329661.649 4998232.076 8311333.714 296558.4449 2539860.661 1474036.872 1897183.534 848838.7212 4481642.406 210910.9373 2285608.633 10677335.1 3124523.852 166717.0282 6198008.778 2742344.76 407566.8096 5983417.705 234766.8088 1885223.79 7481876.576 3328213.764 274718.0043 5472982.617 249475.971 6821971.009 4278613.415 173826.7771 1960409.21 4807915.307 139094.6839 3505055.998 Deoxyguanosine-Monophosphate 72767.35253 37465.64689 27715.35087 78525.64958 45363.7859 35277.60165 3122875.377 3010777.749 3276671.354 3786101.455 3396650.578 3218359.19 2669601.945 2378585.289 2508965.549 2538319.47 2532128.079 3072177.261 3006677.46 2778045.343 2796722.463 2558292.862 2712819.492 2777663.221 2677409.933 206308.784 2054161.941 6038734.206 2070059.78 658941.6625 5401355.037 536850.2761 6949491.62 1999166.891 406604.6493 5622147.736 5353802.277 4084176.89 7514722.723 405700.454 276275.6383 7975085.956 2973111.849 3158133.106 151081.3316 4400524.687 4097892.18 691401.0857 8584162.198 619520.1608 164446.1972 357321.4776 166459.156 610394.071 612001.1639 425546.0518 254156.1836 1562067.83 1895362.474 8635101.992 152024.576 490056.9506 2456274.605 108084.855 100078.5161 3722409.495 2310078.108 991504.8446 128438.9351 3234886.123 1203553.272 759542.2595 328039.2791 2205145.917 6155744.39 355579.2236 285372.4316 3616808.099 10748663.7 285374.413 9522994.303 5177167.224 8032398.46 1868904.262 559188.43 1187840.359 3169801.687 480934.8266 8888026.468 3164905.848 320000.9724 2244307.202 90382.92564 2191973.924 73897.58149 2190001.099 7462387.795 467286.9462 1047031.651 1137850.201 1054452.856 137752.2096 2438106.019 790030.6304 77102.69699 831671.8244 100237.0144 660103.8983 157252.3694 251170.9847 1505013.996 127144.162 1418020.253 1030198.904 180342.0129 836166.5749 73188.45439 993330.2301 297681.3207 4042162.766 277691.6107 12827016.28 2188896.653 88454.73102 201066.3174 10017274.15 2752503.975 5641943.611 1872412.046 163840.3324 4057071.233 75255.73557 1606236.163 124355.5701 543739.7778 5672136.392 170592.0559 3665112.163 8665922.892 11772867.28 5627860.147 170200.6185 734649.7695 9105895.884 180521.5468 3798204.798 297972.8487 3212511.012 3499260.285 968490.3763 7215254.822 9958464.71 229973.6021 3224258.121 275388.3351 2276110.725 4672015.43 7866142.042 279580.2039 2451221.929 1399323.992 1781429.204 830450.1797 4160955.207 202373.7177 2197973.196 9934030.453 2986499.395 151466.7387 5778114.831 2595115.768 398344.5895 5636327.512 221286.1901 1812559.715 7058021.846 3182818.659 269577.5723 5219321.968 233744.9167 6404436.042 4014427.905 160619.7631 1889131.807 4474281.318 129138.593 3363002.575 Alanine 16029.92931 266070.5704 13834.5579 NA 50833.80201 NA 24470800.27 23331613.18 23234982 21115700.3 19504378.19 18196695.97 17507296.35 16963300.62 17755167.86 19509502.64 17988287.51 19906429.66 18818063.48 18168048.22 18212528.4 18469855.06 19119261.29 17708953.15 17798031.04 21626222.72 20632939.13 13825427.22 21668035.16 23505542.68 16212062.75 19077204 11114414.18 20094883.98 15129730.82 15156916.37 7147148.096 18162284.28 12449071.32 21941494.83 18486051.91 9325777.435 18850344.01 25547380.79 25054261.92 11003772.13 14879262.14 15796063.41 8197816.525 3065600.432 7333462.217 5069233.864 14132858.2 3519674.752 5004393.824 11877870.24 4750015.366 9323457.77 11341124.64 8274342.339 7653071.663 5156339.905 5443232.63 9930796.384 15987143.51 6171325.921 10254736.36 5189379.434 9536976.963 4881824.714 3425833.51 7480741.636 17380148.4 20820291.19 10842931.11 21644706.48 13434243.57 10128047.42 6839777.453 20949216.08 12964493.79 16696559.96 9507074.022 15223882.02 15335206.49 14836770.14 9693234.543 23092958.79 8555816.565 13088578.3 11951326.7 14849164.01 9032331.372 6041999.129 9351400.639 13050661.64 7471331.579 13917093.22 6485183.259 1889929.129 7346779.809 10105093.89 4063705.971 4641041.27 5127361.26 2677404.16 5043312.039 1362178.196 2277405.205 2116721.345 2933816.093 6466387.49 2569712.132 6882221.777 6550603.967 2403924.3 7610174.111 5017191.349 4196191.192 9317868.747 9563570.179 13759084.19 21211321.16 10100954.98 17325719.2 9418792.166 16631338.45 9887085.902 16915915.11 6040210.203 12319935.53 9142386.041 14715399.52 6350122.681 2559039.864 5977974.836 19817904.83 15755448.8 9135416.916 11718019.05 13801154.08 8636864.169 17961565.56 8280560.477 14502564.77 12459054.57 29484770.83 16070006.88 17480738.47 21272403.64 11448244.44 6878517.147 10941270.6 10544130.36 22544210.5 17824352.28 11310236.21 11441237.65 23898505.44 16753227.82 15258317.45 8442720.534 18403812.45 9316912.527 19423738.57 18014343.88 7260402.881 14693965.75 16613476.34 9085045.698 13115174.26 20180060.87 8966564.334 18760287.91 15644180.99 10356534.38 17520870.15 23814724.43 18062122.99 20392184.58 9075774.792 8799785.646 14449188.7 13050772.44 8491341.603 15969143.29 14171186.63 Sarcosine NA 269705.693 NA NA 56839.29183 NA 25836866.83 23459960.82 23446858.54 21186935.96 19542846.78 18381131.42 17734249.59 17303841.89 18093186.99 19643382.91 18233359.91 19986355.73 18896355.16 18423138.26 18443490.43 18711102.75 19283512 17943992.76 18065760.53 21257921.75 20691868.04 13890199.59 21874453.03 23250089.01 16212062.75 18987048.94 11114690.81 20471978.33 15130054.15 15458432.89 7072367.923 17998923.41 12375383.94 21973315.84 18189065.29 9375983.831 18971212.57 25791348.46 24813700.76 11248237.89 14759275.35 15984279.52 8753698.021 3067299.232 7412526.234 5069532.13 14004810.87 3011197.202 4531435.19 11949526.99 4750587.701 9322963.852 11377154.1 8444661.051 7846404.213 5153699.514 5439817.514 9836633.608 16387804.09 6661174.414 10219816.6 5307572.733 9487216.551 5007041.161 3043649.558 7481500.581 17148859.93 20710628.38 10842931.11 21764936.17 13311752.66 10128047.42 6958486.768 21283491.54 12964493.79 16692657.72 9504668.326 14748937.42 15502024.29 14359803.59 10285380.2 23210818.16 8680457.371 12942814.02 12007127.94 14721076.1 9048957.745 6087889.167 9454525.896 12750679.59 7471331.579 14155782.12 6389173.093 1875494.659 7347166.089 9976036.122 4090366.321 4256046.325 5124679.953 2687266.356 5044625.755 1379157.688 2277720.478 2117211.299 2917486.026 6390712.089 2830521.469 7144300.775 6411189.45 2897071.359 7610810.083 5665306.547 4199001.613 9317868.747 9286395.249 14005208.97 21494674.5 10295549.33 17231942.67 9254221.869 16797163.88 9792191.046 16904482.61 6037950.334 12164804.72 9195405.24 14427024.24 6320435.329 2562547.014 5977974.836 19057010.7 15755448.8 8822006.131 11718019.05 13965890.63 8536098.796 17777636.51 8655591.765 14419245.04 12352973.01 29485363.21 16070006.88 17481169.24 21064781.3 11448759.65 7027381.4 11072386.98 10529933.88 22370861.8 17762003.24 11310829.43 10933559.95 23770487.3 16901923.72 15333216.2 8439523.86 18460646.91 9317560.549 18550827.21 18340890.44 6863216.696 14841711.43 16399617.34 9503466.111 13294268.46 20608480.77 8746147.308 18610733.13 15458145.49 9884276.631 17521130.62 23640987.39 17500045.23 20078139.25 8731539.541 8420424.121 14684918.85 13176830.98 8489767.91 16292024.63 14065839.1 1-Aminocyclopropanecarboxylic acid 87438.96423 84780.40032 39385.76258 17500.92807 19227.13258 12226.60689 1497545.516 1358845.006 1529233.233 1520169.075 1390235.204 1280550.538 1106514.207 999608.4156 1040917.021 1134394.25 1084761.81 1342949.717 1208039.231 1079113.114 1051362.757 1020955.334 1052038.653 1016139.982 1013213.166 376024.9799 1303459.683 1048164.402 6738073.235 1411225.498 3486168.727 520209.1946 2665701.273 5899622.394 469785.7908 6163749.649 2286602.191 5695799.676 2729410.243 727823.1546 504076.9766 2062795.39 6387014.95 2868336.414 1481687.167 1180001.526 5641884.477 681013.9606 1825769.767 416735.1647 172877.1879 1109834.619 142509.7993 84670.20585 180477.2628 366583.2213 457550.4776 2273247.04 1098048.985 1171162.361 228580.5988 476732.3874 766177.0489 827367.1459 897910.139 618351.1135 1182012.365 618626.7039 631738.737 692996.0025 257244.356 1101821.961 702939.7476 5450274.623 2653366.258 1373196.653 1206092.888 3991547.054 2079075.711 1659279.079 1574598.622 3705167.44 2150933.188 3159449.709 1206398.451 3146713.442 1813676.951 2191167.622 1357108.638 2923307.308 1237133.055 1685579.551 356567.266 475808.4978 529919.8709 3021130.827 1577302.786 1110260.632 1261032.506 190323.0849 520541.8025 391663.0776 284030.4849 1639865.179 323932.5875 486273.8315 244555.5992 163965.5065 273566.9025 330539.8289 344073.7912 330231.4571 548034.8894 1999156.919 330989.7483 403564.8471 258071.7546 1340328.91 547624.8052 1478503.809 662553.8496 2120517.69 2805128.236 261457.5141 1188707.202 1837695.028 2916132.338 2137029.468 4242866.674 343883.4575 1103445.535 149287.3348 1151788.829 271940.1234 292299.8484 1442241.714 2234194.076 5398302.118 2253399.358 2502702.099 4707464.158 597294.4566 2355066.134 2215089.553 1539383.775 1374366.919 2262064.604 2108823.177 2652693.14 697033.8984 1287566.745 1025369.184 425031.9552 1301771.132 580319.4281 1035864.844 606741.3805 572637.9461 714747.8715 1381584.186 1459213.941 522858.3517 610893.3992 1022401.389 1284316.339 701344.7962 1298912.458 690350.5766 176034.4745 943489.3338 1530277.112 417553.7614 1406958.239 285730.0098 1585900.802 1115128.086 1313531.393 415384.5199 3417527.053 484000.8551 502157.0329 1262130.773 253610.238 568673.1748 660450.8887 581628.2968 3064096.537 Glutamic Acid 895745.2219 894583.0174 610711.4708 180251.3246 214187.5701 130718.0947 33618266.36 32373526 33981001.92 35180151.8 32848537.16 31384683.21 27043340.85 24707833.79 26142469.46 27275152.4 26805334.41 30294446.82 28753958.92 26456320.98 26375688.27 24782761.49 26351252.21 26649362.23 25842583.43 8821193.284 31826493.69 25928408.63 60399909.02 14882617.84 39009644.21 12951324.95 30853728.57 54947012.86 11658021.2 57105950.29 29065664.68 52598062.96 31228516.99 18616826.73 12320938.84 24682618.91 57939444.14 56245733.63 15356922.08 29640910.72 52964518.67 16981000.44 21598082.02 5006499.607 4580385.891 14362749.93 3685524.94 1800795.912 4249771.968 9142476.164 11415460.51 28867023.07 12808721.03 14424846.25 2665548.294 5660759.221 9454912.987 9154681.704 8519193.172 7091004.77 13923970.36 7642622.552 6556763.484 8381042.849 2737599.499 13596600.6 7040107.688 51488181.39 31775902.11 12799391.03 11050627.58 41729364.02 23767601.08 16511996.32 17901075.14 37589219.13 25074602.38 33539630.51 12390623.29 34313703.6 21504640.21 22951968.82 17172130.94 32612578.83 13341275.66 18231661.67 3700119.296 5502985.994 5760456.2 33088061.95 19618303.85 11471483.3 16110310.37 1969091.37 6255232.724 4343877.672 3236658.712 20753531.9 4096111.138 5610806.361 2774674.151 1678512.389 3229685.431 3709248.46 3767943.705 3880445.946 6415943.807 26997837.37 3791877.13 4483411.073 2905471.196 16977662.47 6860844.68 18548027.13 7721867.019 23907137.61 29523099.34 2845604.392 11413804.02 21526317.84 29945546.1 25131650.31 42608550.77 3856205.395 13191837.72 1532625.93 13041910 2861881.276 3596817.933 17104260.31 24101113.98 50956479.93 27012323.35 28867482.35 47034301.06 6420921.562 25280534.22 27112609.01 15543847.39 15729335.81 24917056.2 22198234.49 28584312.32 16786849.36 15944601.92 12285395.58 10616289.4 32815866.47 14578937.19 26049564.92 15464952.34 14435391.24 18155722.83 33963242.51 35312372.35 12976869.6 14708644.62 12517306.34 12565277.96 16818861.98 15890165.21 17088312.74 4394328.633 23929292.57 36955275.12 10455953.86 16764092.71 7056379.213 38191196.64 28157419.47 32475958.55 10786235.59 37715732.12 5772213.006 13078752.69 15573282.1 6593832.02 14558914.67 16684228.66 15332169.82 34649095.7 N-Methyl-D-aspartic acid 938919.5208 922081.6981 626986.9898 190378.2934 204942.7874 147129.2402 33618266.36 32373526 33981001.92 35180151.8 32848537.16 31384683.21 27043340.85 24707785.5 26142469.46 27275152.4 26805334.41 30294446.82 28753958.92 26456320.98 26375688.27 24782761.49 26351252.21 26649362.23 25842583.43 8821193.284 31826493.69 25928408.63 60399909.02 14882617.84 39009644.21 12951324.95 30853728.57 54947012.86 11658021.2 57105950.29 29065664.68 52598062.96 31228516.99 18616826.73 12320938.84 24681607.9 57939444.14 56245733.63 15356922.08 29640910.72 52964518.67 16981000.44 21598082.02 5006499.607 4580385.891 14362749.93 3685524.94 1800795.912 4249771.968 9142476.164 11415460.51 28867023.07 12808721.03 14424846.25 2665548.294 5660759.221 9454912.987 9154681.704 8519193.172 7091004.77 13924389.62 7642852.241 6556763.484 8381042.849 2737599.499 13596600.6 7040107.688 51488181.39 31775902.11 12799391.03 11050627.58 41729364.02 23767601.08 16511996.32 17901075.14 37589219.13 25074602.38 33539630.51 12390623.29 34313703.6 21504640.21 22951968.82 17172130.94 32612578.83 13341275.66 18231661.67 3700169.399 5502985.994 5760456.2 33088047.21 19618303.85 11471483.3 16110310.37 1969091.37 6255186.709 4343852.038 3236658.712 20753531.9 4096111.138 5610806.361 2774674.151 1678543.681 3229685.431 3708996.897 3767943.705 3880445.946 6415943.807 26997837.37 3791877.13 4483411.073 2905471.196 16977662.47 6860844.68 18548027.13 7721867.019 23907137.61 29523099.34 2845604.392 11413804.02 21526317.84 29945546.1 25131650.31 42608550.77 3856205.395 13191837.72 1532868.358 13041910 2861881.276 3596817.933 17104260.31 24101113.98 50956479.93 27012323.35 28867482.35 47036547.05 6420921.562 25280534.22 27112609.01 15543847.39 15729335.81 24917056.2 22198234.49 28584312.32 16786849.36 15944601.92 12285395.58 10616289.4 32815866.47 14578937.19 26049564.92 15464952.34 14435391.24 18155722.83 33963242.51 35312372.35 12976869.6 14708644.62 12517497.17 12565277.96 16818861.98 15890165.21 17088312.74 4394395.968 23929292.57 36955275.12 10455953.86 16764092.71 7056379.213 38191196.64 28157419.47 32475958.55 10786235.59 37715732.12 5772213.006 13078752.69 15573282.1 6593832.02 14558914.67 16684228.66 15332169.82 34649095.7 Aspartic Acid 961736.6371 1487152.943 598207.2384 154562.7896 271786.1798 118775.105 2457278.852 2367514.767 2068972.028 2227466.407 2349251.501 2299326.509 1986486.85 2250820.006 2225590.713 2256504.232 2520922.916 2457482.301 2269143.045 2088885.237 1842320.743 1863224.823 2053107.8 2498149.022 2159891.241 455296.7072 2458987.318 2863236.84 4998993.081 628264.3271 4706953.332 571573.3009 9020300.652 6471759.429 923239.5964 7656920.315 7480890.663 5396028.328 6147412.57 1132176.056 371308.0694 3304502.364 2946738.988 2773444.245 484910.3078 2287103.836 9077062.103 969666.811 13487914.66 1745116.006 399894.6369 2500736.99 271670.5683 1434824.546 2059864.422 548198.3984 668882.1028 1535312.32 3808934.454 4059792.988 442711.8763 961987.8992 1290818.213 377499.9245 554178.9876 5374047.647 6572769.316 2205891.557 340327.4095 2648285.067 1220986.536 2823268.785 483640.859 3350363.494 4471417.19 679840.7635 565733.3694 2587981.504 2577452.505 604763.3095 4454767.171 2482924.311 4052239.963 3372152.491 451858.3626 2786679.555 3103940.4 716278.6254 4064617.258 3646923.505 482018.3378 3076083.035 434383.3932 2265596.817 463080.7333 4289590.434 4539553.755 609132.4778 4634248.488 1174964.771 4631763.892 385728.9704 3160229.686 4251633.261 338355.8613 1869516.122 516310.0508 844285.6858 1011961.972 1240479.132 2207534.431 289383.6321 1786107.37 3160575.869 456436.4806 1750422.118 435881.1779 3569321.628 686969.9582 2118186.251 585839.9563 2393698.273 2716281.4 323365.9408 396495.0177 3991102.926 1851847.7 3317438.802 2368337.174 464258.1421 1582376.131 616416.0961 1479436.356 361634.1072 1509613.139 4358696.892 717483.8356 4367141.735 4492223.89 5473728.046 5513342.172 263470.8347 966906.9185 7548891.53 414361.9205 1728186.894 516616.3681 1965707.125 2725369.454 540776.1065 2386642.711 6635175.159 368389.7493 6877947.674 287422.4829 1340077.205 1020718.38 2493521.165 238457.5263 3218316.334 4139757.258 3308560.397 864723.6337 6821631.324 346823.5753 2611633.697 7586979.862 4085148.335 356426.4315 5693548.676 5659250.134 727157.9909 3777298.697 521728.6852 3867627.98 3789497.799 4156926.037 216160.5535 3874082.071 314206.0564 4358865.218 3973736.936 324537.7483 1154320.682 2881444.497 449174.8105 1809930.429 5-aminolevulinic acid NA NA NA NA NA NA 4719153.865 4281197 3470016.805 3225488.177 4021375.412 3244915.725 3377891.004 2872585.268 2940867.026 3436901.314 2916883.211 4404089.481 4400216.897 3455031.332 2320930.246 2749585.635 3688978.162 3270547.063 3419920.318 670515.4224 4353957.518 2754841.741 5250739.043 1174393.226 2951936.48 921156.8753 1239382.519 4318178.033 1520323.055 3084376.259 366520.8667 7099061.883 3459052.675 1615151.539 1009828.143 3172002.634 3698861.602 3628319.13 744116.6867 1581460.393 3196778.207 2242492.586 699487.877 NA 908534.4879 NA 996841.3981 NA NA 970401.097 NA 1203082.252 983803.2699 1461620.477 NA NA 593542.5639 1119501.898 2689338.252 NA 1331172.786 NA 1359268.803 NA NA NA 859850.89 4202193.1 1258752.022 1792732.083 559345.4649 2342217.735 1770475.109 1204206.963 1936768.758 2174621.865 2772009.19 4832281.68 1184266.353 3385150.433 2287834.186 2163704.677 1105448.548 2136539.804 674441.8812 1553764.057 34301.24366 NA 304554.8968 1554476.736 189797.8356 1270928.102 NA NA NA 759217.9351 NA NA NA NA 35369.84831 NA NA NA NA 435535.3583 NA NA NA NA NA NA NA 1407937.652 164553.25 2122012.434 3502200.581 460786.4399 1177860.497 2124183.506 1910537.926 1046703.747 1920318.992 21264.91784 2120428.479 269805.1625 1741989.471 190457.6771 NA 661332.7362 1968212.239 2931814.913 730804.5913 2917709.136 4172306.411 726003.4418 1606881.425 1537943.836 1772456.806 2770131.976 1907600.32 3199983.221 3490012.929 2159681.131 1041171.453 1042329.311 1272454.978 2289254.167 1180367.517 2814469.115 1055736.276 1916168.01 1368114.508 2807297.503 2622652.207 678481.8873 2213598.741 1440575.602 1087590.605 1682601.223 664546.6784 1120695.692 401717.2956 1774744.355 2154084.522 2746924.238 745134.081 1210963.595 1532480.45 2391953.359 4208191.157 1078771.062 1995865.266 1130828.617 368515.7995 1899361.334 1299763.302 1886820.733 985112.9518 1638543.75 1234718.287 cis-4-hydroxy-D-proline NA 4039.82731 NA NA NA NA 764739.0535 1029628.646 541615.2098 813009.37 754041.8862 600852.3643 2910357.097 2478511.77 2468820.018 2888202.265 2431951.562 3804875.347 3810780.605 2993019.008 864535.3689 2299669.911 3351608.455 2817625.469 2954040.479 239026.2712 3763846.346 2307234.349 4517732.332 853105.8277 2461729.767 330814.9287 997393.3341 3729810.893 1274205.611 3084376.259 NA 5935739.599 2779716.013 520740.8847 542914.8369 2652078.451 1007704.249 1772735.517 99464.49532 1390172.596 3196778.207 1884317.511 NA NA NA NA 889911.1014 NA NA 912338.2816 NA 806430.7198 785429.249 1172804.205 NA NA NA 952083.305 883268.3721 NA 999768.1033 NA 1359073.018 NA NA NA 720981.9646 3628807.669 998166.6267 399248.889 198555.6008 2017833.095 1510880.852 507782.7748 925762.5778 600882.8665 2225561.935 4038632.433 1057591.472 2935287.339 1834327.396 288344.4341 828417.3161 1788591.824 537837.1134 1327449.452 NA NA NA 1252137.772 NA 1270928.102 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 946223.5819 NA 609478.279 913693.7155 NA 443801.7537 1768021.128 1721524.931 NA 1725817.811 NA 1859182.441 NA 1741989.471 NA NA 439141.3599 1968212.239 2444418.702 NA 2429723.301 3590461.154 726003.4418 1336750.221 1156131.423 1679149.312 2388889.137 286381.4062 1260421.836 2934633.771 1922246.12 NA NA 1070315.702 1837853.121 233379.635 2352006.473 843620.0853 1618955.742 511158.1126 596745.4629 2196549.929 NA 1911415.805 NA 475586.435 1347971.076 NA 1120695.692 401717.2956 1417079.824 1795061.876 2300714.509 495730.7888 734365.644 1228021.423 1929757.105 3529109.3 332184.8363 1591070.061 1014071.449 NA 1761168.348 594063.5092 1886820.733 843759.0861 1397767.545 986502.6786 Homocysteine Thiolactone NA NA NA NA NA NA 5797.174052 5962.137742 7817.137123 5547.452823 4406.432475 4536.745142 4276.265049 3411.763302 2611.638603 2306.092859 3261.05505 6404.371597 2434.793001 2902.627471 3320.681412 2402.208792 4162.795457 2378.730936 1385.356679 NA NA NA 3990.531453 8926.882836 NA 6048.63862 NA 5752.365943 NA NA NA 3987.170556 NA 7068.42112 2518.181143 NA NA 2139.370944 5943.160457 NA 3697.65934 NA 2352.008059 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5806.944586 NA 1789.296828 NA NA NA NA NA NA 5535.357299 NA 6222.142135 9165.05286 2599.177625 NA 7316.559479 1655.269295 4785.989644 NA 2575.915796 2516.357256 776.3334478 NA 6171.382911 NA 1154.92052 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1647.944121 NA 1717.335606 7413.702259 NA NA NA NA 2456.523344 NA NA NA 1464.466932 4868.787174 1366.891304 NA NA NA NA NA 1884.207349 678.3453561 NA NA 3422.478838 NA 2151.386411 NA NA NA 1615.656195 NA NA NA NA NA NA NA NA 7125.814685 NA NA NA 2532.369676 NA NA 1285.90887 1041.903064 4569.572324 NA 5212.645271 NA NA NA NA NA 3942.127153 NA NA 4878.543205 2238.893623 NA 2003.858397 NA 5-Hydroxytryptophan NA NA NA NA NA NA 13664.41833 14672.82704 23826.92687 15096.95263 15254.93545 12410.28794 7762.368706 7700.967546 5388.318792 12125.68064 8123.330179 7533.277773 12116.8859 8746.536935 7259.901412 974.7460397 3597.866104 5495.013102 6235.89975 7829.099651 3082.497421 NA 11705.90133 12118.24311 NA 2101.735364 NA 16536.55025 2182.193964 NA NA 8562.607828 NA 17730.10299 11178.72152 893.0542607 6336.960492 4286.856822 7148.983738 NA 6644.380947 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 7412.253099 NA NA NA NA NA NA NA NA 15878.24305 NA 14183.35808 10436.46969 5365.887109 NA 11360.37352 24670.10999 17129.85832 NA 7359.3526 916.6157988 8892.05995 1803.38658 3555.748105 NA 1923.407675 NA 3410.907352 NA NA NA NA NA 2656.330894 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6048.471543 6138.688583 NA 3633.604199 NA NA NA NA NA 1103.366142 NA 2765.545958 NA NA NA 2879.337193 2762.593342 NA NA 4470.124229 NA NA NA NA 1452.86091 4047.738985 9967.722712 983.9261691 NA NA NA NA NA 4953.161844 915.095362 NA NA 18091.85732 3366.086405 NA NA 9290.059245 NA 5086.859947 NA NA NA NA NA 4138.018868 3744.446479 NA 3176.891031 5198.652276 NA 929.821194 10897.14257 NA 5125.859869 NA NA 7825.57027 NA NA 3113.531399 NA Serotonin 47133.53407 32472.89277 36894.75948 NA 1815.728809 NA 27954.17684 32310.1817 29744.86426 26981.62047 23944.33895 21928.76109 30506.61195 29354.38994 26096.45441 27754.10264 25434.14363 29336.50381 25977.92456 21687.0147 23829.62563 27864.3138 26152.07093 32143.85271 19522.01319 30704.16427 25962.16715 38915.54009 29174.40236 21527.78941 28100.78639 45939.3769 22621.43231 37062.99942 30458.30972 37520.93697 30029.86632 17983.05555 17147.46086 55314.16545 30756.5918 35071.75259 34789.95629 25553.85638 28081.87975 20873.10271 49366.37128 38691.88563 40998.42308 NA 16778.10362 13187.61841 19725.06407 1212.195441 3078.482149 17761.85915 NA 16173.19322 15064.70276 24604.20948 7412.717441 7806.196044 14067.26429 12371.48776 26352.23513 16159.60334 21148.81883 6509.910524 15272.63646 NA NA 2956.852553 23035.08893 38675.99395 34109.21749 30256.3416 22265.37837 18146.58182 14091.03536 21802.74328 23326.0512 22659.33399 16811.54335 17105.32933 15205.06144 26784.60518 27989.26312 22998.66062 20685.12807 18065.76665 22349.96296 21801.7279 8495.05143 9111.582295 11368.68038 16278.00329 14946.40267 20165.45142 NA 910.7600859 NA 15802.28855 3515.211195 NA NA NA 11284.04962 1063.704848 1655.610237 2811.298692 NA 13717.81797 3110.883795 NA 6135.249922 NA 6401.161337 5476.898704 1716.353139 11501.84098 9275.82081 57405.14355 25078.79234 12738.3157 22972.32472 25802.57676 57150.03031 11563.26525 19412.46788 10105.03804 26793.61726 11504.95869 32486.4237 14878.96079 NA 23737.98764 18884.91131 16310.00455 13942.83791 18774.68307 17766.84114 25145.86824 35053.34608 26970.48667 34978.91883 16196.99696 13568.76609 21653.6532 29552.77662 40336.62035 26371.47986 12273.50137 16767.84396 17288.29089 29725.85431 21505.58264 22635.32379 15164.64496 16322.88848 15698.39559 23454.65722 12837.49425 24338.92522 17719.20572 20131.29624 24680.63332 23967.90633 24071.21355 16509.91774 16547.45236 23008.73748 20628.00647 13662.75826 27361.74471 35989.58465 23414.08379 24381.10732 19275.35839 20384.94028 28345.63587 12942.26756 14721.92439 25127.16433 24070.54735 13995.61136 19503.95453 30913.35646 4-Hydroxy-L-Phenylglycine NA NA NA NA NA NA 4394.900601 5942.923594 7397.773675 2415.001961 5459.639304 3166.373159 5077.481042 8060.206115 NA 7511.508553 NA 3039.202197 1860.586112 3728.767497 9457.682771 4405.376846 9602.537994 10394.11908 3908.473722 5842.924818 11642.6926 NA 11143.44042 1872.080282 13555.22344 NA 5775.200077 7702.48858 8288.498617 21387.08492 3248.478617 16070.67532 5586.090047 5726.836387 4028.665034 8745.054241 9581.510007 4535.292748 4413.200049 3687.664851 22282.92935 7185.298483 NA NA NA NA 1626.74904 NA NA 3289.760213 NA NA NA 5162.144062 NA NA 2248.384484 5457.397605 NA NA NA NA NA NA NA NA NA 6678.552015 8095.600786 2885.44838 1873.180862 8285.380596 8271.045789 4219.602352 1096.041439 3915.001542 5416.31748 13044.3983 4708.930218 10218.55496 5852.21795 3478.034155 3539.397826 12001.41317 5931.034739 6548.425182 NA NA NA 8339.936037 3151.794921 5643.427765 1560.044005 NA 866.5431608 NA 2333.63466 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4403.076586 870.7778499 3198.371253 2664.527619 NA NA 8247.247328 5044.174913 1746.356115 10617.09132 NA 4795.823892 NA 4233.222217 NA NA 4061.103138 9801.554703 16270.56453 3614.132867 9652.462523 5325.847216 NA 9338.26368 7660.954066 5408.739478 2451.648369 2578.381402 2288.749894 10492.94777 4914.314225 4205.604462 NA NA 10335.95449 8786.683326 3364.739118 NA 7334.770955 7715.2376 3852.397342 8634.963963 3002.761174 2283.834695 NA 3103.678527 5789.717767 NA 3583.354176 4093.066873 8634.885134 14266.72594 1660.953322 3372.047723 4792.098105 10761.06355 9462.640306 10517.77929 6112.869096 14291.99289 NA NA 6210.712036 NA 7151.262039 4828.106775 4087.783845 10211.77959 Dopa NA NA NA NA NA NA 102890.7119 73938.5148 61968.67871 84556.76055 218269.557 92201.7064 132559.4823 113092.5512 110447.7761 176774.2316 142834.887 159437.282 174136.441 135456.501 130589.8553 136551.8945 136508.3679 148395.8902 131062.4665 134936.3722 91488.74284 119284.4103 94439.71817 137081.5265 50348.62186 439995.1621 58764.75122 149379.4143 158558.5338 187523.6718 42858.28888 81663.09424 39216.13244 371459.3713 77906.30607 108347.9883 308026.2526 41440.89061 53413.77397 79009.92238 273239.0909 245256.4877 78646.76315 NA 34366.65201 18473.04129 46232.25448 NA NA 59461.82659 NA 20543.3367 34061.55356 39742.42614 7313.488159 4280.175236 14465.92241 39476.96861 143261.2707 37722.90127 71265.11528 7050.272405 47658.6345 12805.76125 NA NA 89616.68209 192947.2276 103660.3469 268149.4098 28090.13841 46236.68883 31988.01406 45985.15257 51964.86288 43908.39054 33258.74461 47746.65096 53944.57219 102971.4122 72243.45465 71749.1158 25838.19342 43590.00044 39930.61403 55291.28757 10741.59218 11198.82427 26245.22076 53904.76454 16316.70997 51196.11631 NA NA NA 28123.28612 NA NA NA NA 11466.53237 NA NA NA NA 18434.01086 NA 4255.210472 12137.67381 NA 8164.726807 13226.19653 NA 30292.71098 17163.74119 373386.1139 51766.10118 15104.50428 27550.18306 40438.08044 505541.3489 27005.58018 58444.30917 11570.17827 81755.03453 13630.22588 112296.2405 31001.50956 NA 21346.67678 85842.32623 68797.46249 24444.14151 49592.09912 59667.45437 128391.7064 169460.535 65445.95429 222148.1977 38523.89349 93944.57665 49613.69557 102357.8629 211109.5976 41599.6469 21545.10364 76394.88156 42492.5361 44676.86788 114388.8317 45811.11044 26557.651 34175.02335 61271.6053 66089.5164 17613.64876 102453.1344 26237.02128 97707.64473 116215.7347 52490.51356 84444.45705 51127.8448 39033.02761 77929.98446 100554.3439 32630.13548 175766.2215 104212.4849 60497.98083 131640.6058 111021.5858 84066.75187 193888.5307 18329.9904 38455.35565 138536.9369 72025.28911 36049.09483 58535.86596 95792.8841 Normetanephrine NA NA NA NA NA NA 60235.3373 83199.36901 61530.44738 81699.40973 93726.04305 86455.70323 69671.19525 83250.91582 64981.88886 76821.44718 59394.1712 49080.26047 65445.93195 69115.54273 71891.82169 82210.88631 84822.72062 66368.30001 67820.62454 82587.65525 66442.32131 56436.62757 59417.2905 51779.13708 55236.17999 84816.94703 38550.50421 79131.88862 61207.73286 50448.40163 17447.09832 74095.56164 42638.54953 80486.30014 30645.66445 56974.81869 107937.335 27676.1404 19754.8621 54575.05738 61209.81784 26094.48177 18910.74129 NA 44576.25257 30590.89446 78065.62256 NA NA 56552.87413 NA 40177.6974 48090.57073 47261.59004 NA 2888.510591 33374.52077 61879.32102 64093.43753 NA 25798.38435 18804.66735 68329.65107 NA NA 3081.670944 54948.29783 70192.52824 42964.9061 81563.50643 92235.73427 68959.52992 64842.55163 86330.6541 68171.71635 68394.89347 48278.62177 66579.72384 67951.2393 58453.07758 40931.56697 59499.94459 33489.74367 68344.95384 57475.61993 69397.34979 30517.27711 NA 24682.21887 70276.28394 NA 28488.41064 NA NA 3465.917114 41336.72817 NA 8840.590532 NA NA 16033.91361 NA NA NA NA 43497.28329 NA 5689.857414 5948.376382 NA NA 2949.617626 NA 37005.46223 23794.83949 31175.97947 25206.60178 19424.67119 42437.82371 58553.62349 76070.41529 26426.16789 62296.50353 NA 58748.82517 36640.47408 61099.66931 38651.5024 NA 40886.51328 57812.62217 61528.77964 26202.54094 53359.399 54282.45979 50017.84651 68066.4876 29949.07874 18291.66007 64376.48615 79026.35829 61703.42307 59657.11116 18295.15497 28981.48358 18810.20582 49730.46222 69737.18884 72349.47323 59077.0114 51497.74804 64576.1525 112422.3395 26842.29983 51494.91055 24957.27707 16000.04696 47475.39003 58689.66865 54735.88403 28486.26748 27002.22024 33845.69544 41461.98989 61900.53148 78840.55785 32657.74107 63418.85211 84467.86337 65363.16348 61891.7673 74157.8707 38326.58672 88810.16887 18742.36591 31783.79879 54647.77286 62833.12175 33222.83384 60240.17217 50155.45389 Allothreonine/L-Threonine/ Homoserine 747426.6811 1177187.065 752546.4118 137360.8333 248041.1205 173588.7169 6530654.022 3049619.029 2637644.34 2429421.298 3781348.41 2655497.165 3241844.431 2878767.989 3044785.104 3192940.921 3266228.721 3452022.872 3156127.077 3082820.257 3131197.569 2958076.021 2950233.561 3092984.952 3983380.772 3924346.957 2972692.976 3981478.234 3056304.689 4101364.047 3019565.739 3407897.036 3790451.474 3057175.803 3454215.397 2807461.097 3572679.857 3455112.372 4172340.455 3460430.656 3749590.945 2972883.545 3761663.643 NA 21935289.85 2925405.388 3042858.894 3546425.505 3642266.616 4049568.54 3931675.062 4643445.276 2999688.996 3388744.587 4223997.379 3741642.959 4249300.897 3518565.945 3035494.857 3177752.279 6658471.852 4435318.968 3015488.743 3343128.016 3628225.97 5337308.058 3045362.99 6520567.484 3115507.285 4112658.112 2141244.862 5447058.418 2986428.477 2786299.811 2222054.754 3854012.496 3290008.439 2935440.711 3031485.319 7546469.591 2337495.928 2596794.458 3212489.921 2584840.105 2604370.696 3108752.708 2483659.809 7383517.186 3659048.78 3065519.265 2816852.797 3253218.347 4075262.365 5786224.414 5290972.91 3380772.044 3897479.583 3378614.013 5875002.983 1859941.756 7085296.181 4075570.369 4564829.365 3944627.377 5745950.464 2504128.626 5787816.777 2759317.602 3776415.894 3691953.986 5590617.436 4669523.617 2829201.976 6259179.217 4854861.595 4132608.525 5165499.051 5535043.584 2932376.449 3139554.617 4040402.707 2292833.424 2778820.794 4734176.819 8135947.033 3217152.319 3472614.66 3018950.859 3318209.037 5177667.517 3164173.951 4617632.476 3490180.276 4547189.456 3740628.336 3682090.768 4137439.968 3940042.227 4015925.374 2936351.545 3718008.818 2742239.229 4338510.751 3663287.432 3608473.146 3391292.981 3559735.404 3423969.529 2798651.946 3365067.478 4187112.946 3634935.114 3540244.114 4677457.295 2992167.664 3031261.211 3373044.934 2879540.944 3732452.741 3309457.353 4144852.627 4178334.301 3217424.65 3342834.012 3325721.035 3279262.139 4011072.809 3754485.384 4354225.081 3364087.478 3094820.295 3796273.961 3966243.638 3376045.051 2961632.583 2521190.763 3483992.658 2902045.777 3921390.203 3151410.959 4764749.359 3806031.621 3946177.722 3876511.745 2964550.714 4645727.207 3060853.596 Nicotinamide Mononucleotide NA NA NA NA NA NA 28900.61205 25424.84895 31437.29864 35229.33717 29895.53953 29543.12335 26791.2292 24511.18628 22811.60388 19690.24236 21726.95046 29734.72465 24254.10811 25445.57906 24088.35792 22087.14316 22980.85995 23017.00484 22848.19098 666.6466463 109120.3825 85529.80441 12482.9911 896.8312289 21079.02111 681.9077532 19107.19979 19369.61961 1126299.647 12647.403 27887.43646 54298.21691 116808.9376 1234.239373 1083.661109 73010.74839 47947.08857 147824.5802 1501.69301 84456.67776 18990.95038 631.6526225 74951.33449 4281.202617 462.5517632 5501.644495 689.9008528 5034.383355 7319.769741 1728.030927 2290.935803 18141.48021 32824.4519 50159.40565 127735.5752 13184.59505 25811.27291 1110.676006 653.842074 21186.9866 33791.76802 31785.27038 1192.186534 36867.03393 4252.108995 6720.50084 953.6433458 6270.055162 20847.68071 1917.005825 243.2352363 17060.48886 44810.40362 940.088946 42290.30862 72055.5186 97923.27592 125429.6758 2865.062847 24443.85958 30312.76588 1375.519052 63125.70459 93002.56446 3055.050916 59724.82867 1058.116581 18782.4361 451.7202535 71538.31827 60070.81243 1343.053144 11436.54843 3793.336094 20294.4314 619.7944165 14096.95131 21284.32464 847.4753326 11558.89365 910.7897188 1056.020847 1989.636918 10878.40491 24381.86594 343670.0828 7573.408752 126512.8286 823.1602421 3866.833299 174.8621492 2768.445887 6429.304721 77752.6671 1932.663356 133842.0767 148654.5141 2888.51994 1043.735079 58335.18691 20408.8488 26058.95495 13821.89196 1064.505907 55494.56632 1119.156906 50428.89131 1728.384583 4732.603236 27769.03301 815.0456146 70508.36423 97943.67587 65918.32749 75787.24566 2062.677571 3188.47801 52197.14124 1096037.02 62862.35702 921.9325496 84510.15377 73448.2216 1227.793132 47506.26439 78206.1078 865.2459413 88037.46725 2542.794509 90690.74341 52016.80033 65614.22496 1548.109419 98921.32565 14471.41682 16140.20678 856.0952035 48014.39361 518.8155467 23190.66342 71265.94499 39076.109 1359.156605 15549.82627 18288.37023 1412.472224 16379.92395 700.5504845 16427.60797 60827.63796 64134.0168 1786.02927 27589.82411 991.2242248 21454.83066 49136.20618 843.3780716 21673.54833 21766.63224 284.8561221 10036.14434 Cytidine 2',3'-Cyclic Phosphate NA NA NA NA NA NA 116183.0279 111941.9234 112492.3845 105127.9029 105082.9467 93828.5946 85891.28328 84187.23935 81647.75772 90183.16295 83887.07496 98008.92777 92571.5066 85867.80152 91372.12753 87830.24372 99506.61269 92007.70527 95427.77776 NA 63455.81854 20489.44127 52744.19618 21515.31685 18046.47843 8397.988224 10074.26591 32618.0538 12592.03875 46363.81435 9513.527515 123768.7506 31814.93348 NA NA 26371.35488 152830.5601 102775.7607 NA 21608.43768 63301.94753 2768.912235 36340.45285 NA NA 19522.92157 2648.813405 13546.0843 23765.40278 9983.703334 28372.08747 27084.10956 71737.14669 49432.03553 4403.720869 54395.83187 47830.30117 NA 5719.532131 16771.82234 40789.88075 22157.80566 NA 10478.10889 NA 25365.53279 2588.028145 110922.8564 24573.30173 12755.48807 NA 25355.13912 13827.43348 NA 35055.33132 68531.79145 42369.077 108750.5992 NA 150708.3663 104996.956 13048.36209 55804.63006 155097.5216 5216.87655 67396.52008 NA 28156.16883 NA 47368.00756 26368.33253 NA 16887.41091 NA 22345.00393 NA 7145.625642 22148.27078 NA 15374.51989 NA NA NA 8208.342078 12060.39277 NA NA 30531.21753 NA 4926.896981 4163.884525 7414.952353 14338.96853 28993.13014 NA 17890.45082 54468.21455 NA NA 26564.45406 196512.6396 29300.60804 86219.94961 NA 30608.08861 NA 37597.75164 5172.601552 4908.0905 10066.96726 NA 87742.36415 25584.38227 27293.51064 44415.42206 NA 256488.8916 11136.33278 3092.515457 30355.07621 12812.18556 63782.30823 65047.48914 NA 21749.56913 22692.00877 NA 82213.90589 3553.188784 73892.34387 25203.52307 17797.11429 NA 54860.03001 52840.16112 22235.76346 14052.7291 10507.21813 4946.097988 137989.1516 19824.76866 201269.5575 NA 13309.24343 13901.14403 13416.42532 18482.2971 3954.033241 38163.1674 72318.50095 130206.771 NA 48500.6972 2079.778625 13851.71016 17924.27534 3216.489512 79486.97493 43893.00977 NA 111395.293 Stachyose 225538.9959 33863.30109 23276.49824 46047.43821 8068.844372 5129.425837 11212.9356 14400.2849 9878.289249 12543.1496 16521.68717 17408.4133 23259.85618 24829.66907 22013.55144 18607.41094 20369.66065 18267.71399 19612.02406 21147.69235 21777.04005 20103.36808 22519.53691 23171.45706 24030.17211 NA 35869.74098 53310.49207 22705.62856 6091.467253 21504.84096 5683.387954 37717.59706 19547.2097 7183.277948 22505.1154 22726.8037 44059.37528 81760.70681 NA 3658.806441 51461.22341 44640.52478 37199.39188 5825.999224 68437.02789 26660.90868 NA 49791.75023 13510.53733 8365.852735 28318.30759 3743.182726 22556.03216 25784.24325 3215.125014 14547.3284 56087.45723 46978.19608 67530.24686 3039.60751 61059.34252 96142.81714 6792.978355 5072.497905 72797.19869 68438.03609 55680.13218 5743.171999 68947.85597 17724.69723 21068.49934 3072.45502 42706.40347 69980.64181 10454.46073 6023.176464 60189.91227 72353.89928 9376.646667 94683.16321 77610.91187 82840.35605 50063.31861 8389.322511 31030.92285 41396.6512 8607.46057 102826.5329 69462.711 11198.02084 71843.36719 10919.50573 56591.82107 1643.883242 53623.48067 68419.88754 9348.595221 55514.26305 15719.97654 42871.88423 4181.241985 40801.26691 29404.38003 1914.171369 10536.63846 2354.356289 8470.575627 7361.026963 18687.96982 40632.0742 26003.68575 19979.00172 19056.07818 1620.436717 6214.315007 3954.37969 10730.61407 15865.62965 56289.32054 1368.958184 73841.57933 34327.93984 7380.444734 2910.094492 72172.17262 80189.71357 35198.28102 23143.32733 1985.095283 60810.51112 1962.573635 44676.2554 1598.68316 11763.58481 37788.20774 8556.683397 54928.87244 63325.58823 55024.23999 48416.79001 2192.476578 53225.39468 53487.113 5565.564995 55966.57086 1681.328977 43063.69938 40165.26076 10884.80895 70910.58942 56910.01145 4367.4473 52104.48656 10103.339 85246.22589 123899.2423 155640.2357 5411.409142 61969.37716 19665.86405 84401.8011 4891.382695 39032.22286 6347.486381 60201.555 58511.51022 53819.14069 11294.62014 16023.86621 9870.234645 5267.700521 28736.3945 8789.356612 24323.31614 64746.86901 46483.82066 8807.942312 46902.18488 7762.448177 47753.58261 82622.21411 NA 59238.8405 62777.25028 6225.699784 61471.04418 1-Methyladenosine NA NA NA NA NA NA 325867.9587 307342.7775 270956.9799 275869.2003 269342.4637 235389.5691 232110.9092 223065.0284 236775.9998 241771.6623 239839.9897 276070.9727 242221.6545 225343.6945 218623.3942 214087.6651 241865.9915 215139.036 231538.6979 211147.257 214796.5187 167156.2777 186840.4976 339653.9959 147294.1424 258136.6065 93968.55417 158400.9951 286049.3236 179537.553 104126.5685 130760.295 130933.9678 222153.2115 264037.9088 115587.4027 260432.8721 260257.6814 172574.5928 91197.16471 132398.5341 347129.4958 145978.2668 58716.61677 130770.1929 98833.52821 210223.3477 76184.55207 115005.3697 170473.6732 68189.67051 82266.99501 124561.8319 102947.4035 108228.2503 103078.4929 93899.97453 184025.6201 264483.2684 88030.24978 151660.7018 92058.18279 174418.0638 72466.36602 35350.51632 64759.58425 158868.7239 198608.0189 62438.46339 321114.2631 270220.4826 69350.98437 100778.5727 226562.3396 109270.3454 132831.9367 118979.1883 163056.9657 219145.6773 187758.7317 150911.5411 387861.5955 135903.4219 176672.5436 199283.1524 196382.8968 137188.7466 110508.0872 167553.2242 204286.9088 142637.1486 249251.5403 68613.14475 49161.92615 95063.6812 113323.116 73005.05047 102046.3796 96736.43248 71318.88902 77834.96858 29331.70331 42323.52709 80986.32788 93544.18729 127128.2697 47905.62989 90771.34637 126320.0296 54948.465 124333.2925 73358.10845 51832.22552 89637.00058 144627.058 148482.7459 251093.1653 121849.833 219356.8976 109969.5511 185390.5515 114794.8861 173138.6972 123016.9037 88958.26306 86676.52719 108305.1306 123103.3072 79418.62624 103626.3104 237890.2505 53884.13162 79416.80814 140571.7136 147192.6385 106923.1348 215427.6446 94824.83604 233744.3134 138941.1351 279130.9765 203519.7473 151854.0233 278751.6238 128203.0515 131960.6994 280356.9644 185531.2989 232727.765 201897.8441 114079.6687 106263.2305 238505.0205 195290.6453 123314.0681 84843.72166 243423.6832 84948.6984 213280.2481 203320.3952 113666.9493 227674.3233 273144.1944 85749.53029 88695.3394 203918.9482 94771.36344 255089.1923 142897.243 118535.4044 232144.675 250920.0207 186968.9714 248828.9635 73971.27608 107577.7097 229409.1869 206402.0309 93634.26847 235779.6737 131654.8464 Glutamine 847023.6175 551907.9884 429748.28 416869.5241 245111.524 183947.3855 64140678.24 61142383.95 61611766.55 62286741.71 58913327.16 57651918.03 52432037.51 50751492.85 52558829.66 54342367.88 53000187.19 56661214.3 56480109.07 53838789.79 53565215.18 53024968.5 55163014.74 53617436.08 53533467.11 65025295.35 56712443.46 50427470.75 17937430.75 70625128.21 42101024.6 61659337.22 39447008.68 40310537.26 60680004.93 25745573.91 31692982.47 49155376.77 53970301.49 63690247.4 63952975.18 41049620.34 22402052.87 57558142.83 70475912.09 39744820.19 15295261.03 58887575.1 44420682.53 15194342.39 36812761.33 19623217.21 48675278.19 15901099.3 17200933.54 44958396.56 2183602.532 23805710.91 37004184.22 42150885.4 27423342.11 30712979.48 35237885.19 48019009.87 55298354.37 25660789.16 37745931.67 32025776.69 54447713.75 32003602.9 8312129.858 14157725.75 51814655.32 19988423.04 30779620.21 60613415.8 54881072.07 23091910.09 33788339.86 57901263.2 35136821.4 42617798.56 46950574.99 53025947.26 52442058.42 34720852.37 38611440.17 62401492.89 40751178.59 46369862.75 49373009.97 50337702.64 33595983.46 27016319.19 40063379.14 46908459.27 41561705.9 51916393.66 14811199.92 8351013.495 26725777.05 40020611.48 18575237.12 19936744.37 33561767.63 17299675.26 23796035.47 6413628.512 4944426.575 11949612.55 21921520.46 33734065.3 11125119.41 9073348.42 38520000.85 7718455.121 25576156.13 5453826.396 3800183.203 33111273.51 30457147.75 55546581.37 65102073.81 32584494.24 66373855.94 47839087.97 49338049.11 34697080.21 29814614.26 23368387.3 42549314.85 26442062.12 43274682.96 40035829.28 18955222.24 43494417.45 60946922.54 28944156.62 34566833.42 42246683.67 17684168.74 41561687.98 54659297.86 45570066.22 58252764.38 44093785.82 63550633.51 53114497.62 47302218.84 52817927.44 36213570.44 43369480.2 59817808.77 42127935.39 51529420.44 46644390.34 32935159.37 39967175.62 60033987.52 42889430.3 50130767.77 42037612.55 65983512.45 42859658.97 59459214.15 54788484.87 36938188.15 52537765.72 55525573.29 40230016.3 38300476.95 59364009.77 44177238.83 64922133.26 37439340.17 49762234.59 56848945.01 63183042.82 38561680.56 58017639.67 35863485.75 46426554.19 60715419.4 54103207.79 35666741.74 55947010.64 35251260.96 1-Methylnicotinamide NA NA NA NA NA NA 327045.2963 404090.8591 282819.4846 271908.4017 328362.923 347283.841 358504.6763 362429.771 339670.1273 353864.8564 343318.8962 337958.9608 322076.4152 307752.2544 304077.9834 294444.6397 336763.6584 313110.5401 317544.569 433385.1234 283811.7893 310717.9695 295781.7166 502213.7866 388497.8148 224328.9759 194576.2327 197276.7121 428034.0395 232823.0742 209195.4653 166865.8336 217834.9081 210698.7793 329232.1325 176027.6301 193431.46 156020.9095 200784.1502 113227.8504 176969.7346 434135.7321 279988.2573 227694.0484 533274.6291 314591.3524 172267.3247 55165.66068 74205.86377 339320.6564 154659.9355 186107.3739 415523.4708 312812.3879 487446.1303 145500.0467 135210.098 266303.9205 350915.0723 171527.4944 272080.7855 170517.6023 271301.0105 141396.3267 44957.12984 77262.12449 175719.939 307484.482 228749.6492 378397.2091 1561331.076 765533.9512 608700.6685 957478.4343 322101.2387 610548.3572 164900.4042 206732.5455 216607.2071 186235.2879 134620.364 211915.3687 226447.7297 355769.4753 270201.1545 310636.271 294131.7348 160184.899 261190.6188 301126.6628 180562.6401 208948.8391 102741.6959 62945.86525 110520.244 176545.6197 69464.3972 65085.47337 69371.40993 50078.49664 407159.6634 167035.9254 230843.2642 226495.2865 203022.5918 309098.6573 49809.60987 82863.42309 119199.3665 116521.1796 194858.0838 161750.6431 409134.0775 505279.38 670051.5859 399131.3733 383699.8105 378152.3704 637111.5418 302407.7589 462531.9094 120798.6143 127250.8405 512078.1194 195034.635 222885.8994 262878.363 506979.9779 196799.7917 244999.6144 176888.3609 148432.9858 128477.1124 129470.5534 98875.35043 218048.8937 521768.494 302538.0169 518280.444 219152.4159 891874.2133 269799.5339 464915.1339 581698.3573 353221.8143 191758.3802 371716.7266 292774.0756 444943.8924 360386.6109 235086.0441 290024.5407 673729.6885 444046.4675 93951.67744 69075.30972 97830.47936 111968.7091 208265.0148 184470.0019 143844.1415 223478.8538 243350.0326 162876.8604 194243.5299 190720.4828 109742.0571 157732.3225 122789.705 382307.3165 471874.0826 631771.0236 449747.2157 728346.4029 287892.8345 289801.8488 338554.6431 344382.798 162412.8467 266196.0366 242776.3316 N-Alpha-Acetyllysine NA NA NA NA NA NA 98023.91006 96761.4604 103077.6125 96289.09476 71614.89628 88131.50874 67344.84233 60564.10186 82431.82105 72938.53122 82334.01055 79760.62705 79928.00142 73579.56284 81014.90251 65376.8711 73917.2872 NA 72884.60957 29460.5309 37412.30659 NA 108990.1191 119063.2833 88466.20125 107903.8261 64126.76262 87132.83422 79463.10908 89341.9248 42814.27173 116788.7613 67622.02303 NA 54159.58533 57673.72932 132317.4793 111043.8697 120145.5668 25857.28779 77003.41662 50466.51968 60445.61185 NA NA NA 57301.07342 1757.318287 NA 42029.88672 NA 34667.4549 NA 39867.99389 NA NA NA NA NA 6998.382257 NA NA 57669.60789 1669.44016 NA NA 38161.06919 100401.0961 16526.4973 103660.6222 NA 72697.31173 35040.32486 59984.99225 NA 60507.1522 50565.75187 62242.80652 66314.29451 40296.50241 30833.22404 95638.09309 NA 45941.50068 19567.78672 31577.8103 NA NA NA NA 28549.68054 36421.2577 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 64515.14076 22860.18007 87902.37972 84413.25051 NA 97177.03697 NA 139669.8214 11119.46915 NA NA 12791.5214 NA NA 15870.747 NA NA 54436.99006 58117.16051 37961.4358 27695.27666 43398.59527 94770.04839 115035.4912 62851.03482 109498.3656 NA 108025.6977 57285.80484 104376.0601 121622.6298 68150.24235 34237.70786 85569.97569 63388.33675 75986.68551 54309.8101 27971.33686 NA 64464.81117 54663.56289 NA NA 17138.01171 8627.657036 59695.14553 51501.29323 31238.1934 56715.16866 39345.08861 43491.89561 53958.18162 30217.79005 NA NA 54457.09084 75657.71871 84195.16114 70736.65411 NA 27654.23158 13271.2448 6404.183339 54524.87596 13648.08547 41540.65403 59952.6127 85343.2681 Pro-Gly NA NA NA NA NA NA 3732385.501 3290397.72 3480492.826 3204721.518 3026184.163 2869395.964 2619212.431 2469888.311 2655383.52 2838302.615 2684454.315 2985765.882 2834208.096 2631472.096 2581647.01 2626012.182 2754996.751 2540019.244 2542722.521 4606213.883 2022428.042 1757263.864 3828394.331 3586188.45 2391009.962 3665917.872 2233135.012 4071689.37 4858173.01 3904590.621 1787481.466 2919885.482 2303786.252 4981562.78 3534703.978 1561502.927 3322500.854 2685059.784 4470905.22 1287628.249 3967712.822 4192054.841 1903174.246 580751.268 1440072.18 806461.7056 1742778.649 477681.8815 533615.948 2407980.404 952105.5546 1770214.398 1191520.421 1258828.395 1153168.731 858551.9593 988976.7524 1399927.046 3349715.102 1062147.824 1511633.185 856806.1585 1630967.105 805217.2625 434486.4164 1089470.395 2151470.225 3647928.249 1907412.982 3699931.456 3876312.898 2531835.215 2047866.809 3615715.223 1490150.653 2606339.846 1944988.756 2167894.693 2950817.535 2532200.709 2035680.117 4827339.15 1518986.674 2128246.871 2420258.429 1493020.554 1034764.862 679524.9406 1955369.471 2225608.905 1584651.957 3922704.367 1221734.929 458559.8899 1022227.338 1845787.786 674342.926 1138612.202 1730920.076 631778.8883 1815980.49 440019.8409 483010.9482 461074.7399 590924.4329 1149237.905 664039.322 1601300.685 1742877.341 340640.2224 1253206.494 771914.2834 784633.0777 2142159.743 2688677.822 1559835.79 1773586.804 991179.8124 2536007.352 1434252.357 1956249.658 2231645.672 3180101.323 1564255.07 1402352.656 1019794.677 1339580.692 1479641.858 557602.7395 1469535.543 5405960.566 3356233.139 2004839.875 1438377.404 1585130.43 1283724.79 3781108.586 1466498.421 2993344.421 1842773.754 651946.0157 2184571.531 2311715.99 3767985.384 1523562.334 1246498.921 2282730.106 1570893.521 3220692.523 1537731.288 1092068.61 1225505.243 3088798.52 1729241.727 2546340.31 1629658.429 3323625.436 897630.9952 2596157.992 1886267.528 1212850.99 2228728.801 3866810.163 2077392.865 2620075.878 3955093.986 2042104.656 4036380.424 2637270.341 1316787.193 1449087.67 3283240.443 2378844.57 3779700.844 1415493.752 1839911.339 3169355.989 2446052.793 1640201.671 2659108.347 2297264.278 Ethanolamine phosphate 22040.3553 9086.458112 6482.069979 29825.33447 17535.95317 13939.76779 569315.4695 520614.3389 581376.0818 683135.6698 538628.6246 516513.6152 416030.5952 351276.4176 374058.8033 363710.6486 379705.835 447086.206 427583.9765 393730.7799 378684.0535 338762.6656 375613.1319 383662.0508 358061.7945 121900.493 846345.6256 697626.8596 726351.795 310182.9603 594727.1007 180223.3897 585844.0909 653018.8956 235034.1079 792113.6793 599887.0891 1392487.826 1188681.804 160628.5517 146276.6072 876400.0323 1295664.264 905512.2179 186346.4317 521971.7597 958355.5078 212924.9838 631847.3739 72018.66352 56437.62506 101057.1308 66290.92777 55812.84067 64932.23047 153733.2653 75396.05274 435427.261 382316.3484 709388.5802 55667.62886 161240.2049 378409.8776 86106.60577 116607.9461 286685.8534 447119.6677 196791.7076 90346.09982 243521.8832 61907.38316 116835.5162 140702.6891 623089.5667 781523.5797 178850.439 103571.5024 571602.3288 497216.5425 152315.8829 501733.0306 1006654.599 649851.0561 660942.0553 117759.1629 541830.0033 854291.2618 248905.2251 659578.5145 963862.7327 186658.3715 769255.2959 60667.71225 194770.897 46405.54226 718453.282 591008.9675 168066.7815 194893.793 43537.32056 169427.9023 60869.92252 129201.145 129313.5419 39225.19872 75148.28687 35567.17012 30649.13135 28369.50766 35895.12244 94178.13573 40826.88353 89950.09343 171607.4187 59242.27886 59259.01449 39988.98708 132824.8711 36655.72844 429128.0239 64449.30072 616042.1815 650970.1246 44373.18569 89137.30858 602296.7153 925168.4887 699841.0431 595093.0826 78674.56245 519274.0511 45462.12461 446075.0454 66913.59241 48950.49432 396072.4266 111481.7959 700559.922 533533.5519 627334.7838 551421.8766 73239.25708 706547.3893 539208.5833 87030.62814 612515.7046 146283.1386 733054.3305 797095.261 141159.1268 581648.1764 370520.9654 82865.31229 421495.0486 118628.9145 765504.9936 488854.0041 393249.6036 99788.57134 572731.4109 597987.8945 370105.9979 263820.5821 231680.9215 123695.9815 508168.367 357204.0398 587548.4665 80156.9977 498456.6128 554084.5945 212572.4016 404639.2573 114817.2045 361992.1774 683861.4739 605290.9797 109579.8962 448452.539 104929.1221 313924.8929 378150.9992 100569.9701 426152.602 491800.6123 97390.33064 608611.7393 Glycine 13976.43772 19150.76048 9172.633183 3293.901498 5195.453409 1961.743639 219580.7003 202011.7544 202062.3604 185543.4219 155676.6958 143042.864 128116.5775 131154.1713 125952.7764 136250.0761 135758.7784 144845.5412 127287.2809 123906.2044 120698.2126 123558.0856 145978.3692 151028.7216 154848.5086 190638.1709 137965.0738 119149.3319 191348.8257 246378.7116 164756.5725 206043.2753 129335.9779 203545.9638 179596.5948 157830.8945 90316.01437 165106.3637 145187.8106 180031.4732 153187.8261 87765.49969 117987.2694 176576.4473 161425.9362 81633.23355 88030.87718 129262.6958 77608.87905 36832.93064 66638.50266 55353.4777 79244.8896 19915.09556 27011.10091 104329.0009 42434.91456 103984.4133 63346.25357 69923.02566 33548.13327 48028.25111 61029.93976 112856.8641 92446.60972 34711.49357 50536.90483 48948.18177 101694.3952 56444.90907 17474.01887 35068.78096 83595.4781 113498.0027 87868.53591 141541.0725 129685.2967 107849.8242 96301.03351 98388.12475 100219.234 97956.77875 105507.9115 139464.1206 112365.9519 90276.52901 72438.48437 127522.5003 77184.50731 104904.8039 88298.16409 59516.45936 36522.95353 27285.67967 90836.62745 123591.6396 83204.45974 83968.91941 45846.02063 15279.51918 42424.87538 57791.40597 26663.87642 31230.02901 27677.51392 23432.71412 28258.89068 12474.26995 15805.01227 25022.96976 36588.95537 67490.44131 32942.15783 70326.10939 78616.74533 23446.21815 39585.08802 36936.97934 22453.64758 68105.25232 42785.35898 111963.8122 160630.4992 38451.9672 216836.9731 96940.22936 139215.8456 97589.08372 128456.5956 22411.67743 88230.38841 53476.83182 89367.44248 78877.81117 30878.64197 86214.76796 124390.701 102297.8461 67639.61033 115880.9434 110952.0461 52119.69806 133675.7329 92557.31342 138731.986 63417.70655 109466.9831 87513.12437 107730.7826 105415.7131 70925.36808 89924.53028 134717.1066 114893.8505 67046.39027 65884.87834 43561.57586 98612.94864 186053.2725 134365.0118 100835.1197 64754.65238 120772.2696 73818.58368 132695.3388 102614.6885 64760.19413 89613.81053 91403.63934 83778.54209 103730.4667 137081.3294 88120.59675 129597.4476 94498.72265 130802.491 155224.6786 215096.3306 135106.1207 154876.9251 78171.28976 82362.23058 131219.1852 113683.7634 65718.14929 98446.16215 88062.46631 Asparagine 236914.284 254113.1858 163068.0852 70144.83619 73420.63493 58547.79229 8167771.497 7701313.993 7782430.952 7597414.533 6971875.652 6655698.436 5999941.777 5560816.801 5938691.655 6251580.847 5936367.573 6614014.717 6175048.349 5745054.953 5663126.487 5655099.242 5811233.136 5671080.672 5570642.144 6048879.297 8236814.771 7285487.299 7021364.992 6891035.291 5229622.116 4962216.518 4799419.045 7594969.37 5048739.593 8510850.14 5309998.331 8898901.563 6972517.115 6351811.354 5712795.681 6460695.916 8583239.462 8679847.966 8278074.5 4383203.758 7703512.789 5642349.546 6799404.107 1437903.606 2429274.921 2679864.858 2950196.006 1071929.913 1203696.786 3523999.191 1733297.315 4192216.157 3680907.01 4167650.97 1704093.265 2270182.877 3057041.001 3512542.184 6240586.445 3399563.129 5117987.956 2247769.399 3416786.018 2535581.421 983964.7984 2031886.525 3952266.13 7583823.466 5057656.832 7772921.115 6226090.663 7155058.199 5867444.918 5861177.182 4751291.536 7060150.107 5542626.532 7059848.528 3631638.948 7331979.676 5964591.042 8144440.635 3888306.238 5321313.081 3135364.599 4246383.526 1586553.133 1917365.291 2653483.025 5759954.834 4263039.473 4238962.682 3061675.577 1008595.696 2348527.447 2534308.211 1728607.088 1568870.188 1252501.268 1058879.826 1575288.266 748435.1739 818129.6101 1233520.068 1994711.174 1820349.527 1884740.54 4184098.014 3684896.193 1686426.092 1943829.632 3214900.84 1265394.361 4630830.398 2294741.578 10268657.6 12708854.11 3456033.267 5495835.509 5338998.413 5068921.182 5023474.269 6069747.053 1866134.65 5373627.08 2748325.349 5566746.156 2414406.084 1378706.201 4359139.66 5626893.325 7502003.057 4663268.873 5986201.883 7859590.401 2946874.877 3851282.666 4548683.292 3949904.912 5907800.034 6417670.581 7769456.707 6355305.016 3431687.853 4178662.489 4392366.011 3478462.745 5374929.895 4550882.047 6455074.476 4170511.852 4896702.808 6371968.523 6847337.96 4371935.514 2649774.461 4052978.971 3567791.151 4106212.574 4017728.233 4843707.873 4709072.155 3355515.525 4681520.885 5719635.364 5661219.047 6211817.15 6943286.488 7614744.876 4618184.253 5421703.748 4513732.883 5645803.395 5814491.313 3436923.747 4843452.991 4552796.031 4447452.141 3734855.017 5049200.296 4905748.636 N-Acetylputrescine NA NA NA NA NA NA 128736.0889 120816.1872 118612.0165 107063.0315 92546.54472 98060.95491 85099.5426 86056.27746 89767.81526 88780.99018 85831.58605 92925.87869 77573.20316 75044.89328 71597.85443 73541.47023 78795.76115 77392.97953 74656.65815 116204.4992 98210.1237 66268.54553 81646.79979 135881.6805 81621.46151 96487.96556 40447.52148 77438.9381 112081.8004 101589.5977 53201.05251 95871.65902 84784.08984 99333.627 109803.5756 52399.48673 71457.37769 96244.25695 96897.35648 33824.18963 49286.6416 79173.16847 38584.4811 20852.40766 52735.32706 22805.58774 59504.06743 15252.96426 19540.12916 72830.44077 21259.69259 47492.70722 48113.40009 39976.34515 45656.16496 30542.12643 38378.9294 76428.59595 98310.01171 38742.88462 42938.37323 33004.91752 73325.26006 31415.53691 20680.74257 22424.5924 70026.98913 109456.7328 59023.17752 164876.4712 83527.4403 52939.61966 44258.62874 107818.0565 58573.73015 87695.76217 41595.51643 75584.33609 69227.79503 61850.65315 48964.68726 140278.2986 36878.02422 54832.79693 56738.33597 55760.76443 50422.19317 28448.49341 60031.83734 76993.25579 43337.02217 103420.0914 31454.57966 16702.2634 32071.44096 55364.44381 23309.55443 27115.29701 30327.26807 22622.60533 38812.27996 20152.00924 19856.46665 27357.30296 22051.60735 50297.57786 15295.83336 42298.93138 54681.92093 16025.39768 41555.26973 28631.74951 35677.79836 50927.45076 57841.45983 50488.59888 84149.65063 42997.11576 97833.18536 45970.64468 50401.87469 56943.9122 91519.13689 49499.39153 47788.60508 43008.49275 48471.51687 42107.76784 21963.18296 38694.67873 90030.36674 60605.98803 41680.43062 50168.79258 52294.18949 43332.75422 55534.25664 53060.54375 108786.8675 44235.58309 133335.8399 67916.03462 84285.62843 103658.0553 44290.2143 59328.63494 110310.4028 82147.50254 100722.343 75564.44556 47084.60664 41865.65192 75426.31264 63896.51614 53223.19371 36979.62683 85335.72243 29520.93158 61987.27203 46615.52211 31173.1707 48232.62377 54244.90403 34262.07476 41382.64921 74344.85967 45666.64765 85045.92355 57660.35437 75190.59799 112430.0654 143418.4669 61937.3211 71862.16319 38477.46021 39769.35901 73705.76996 56135.50782 40118.65461 95980.57675 59037.64006 Beta-Nicotinamide Adenine Dinucleotide 14664.72664 7064.208101 NA 9599.840892 NA NA 574093.3464 553387.09 599158.1815 648931.7177 561894.234 568769.1049 493510.7954 489081.3555 432702.6685 469929.1092 436436.3897 571306.2878 504592.2421 459514.7708 479927.3641 407618.4875 480849.7615 475157.2047 471227.9928 25618.23513 1552314.808 1251334.953 1437270.112 30934.41249 1178821.83 26122.96759 699751.8762 1109004.742 29664.06403 1168253.046 903502.2554 1058413.744 943236.6259 27106.73474 20002.48601 1100539.119 1281417.723 1957910.368 26660.81918 968824.1857 1008461.582 26674.16249 1103202.026 67709.43442 21559.43809 190125.8058 21369.91036 108693.2815 176884.0651 20163.9857 114140.4317 419773.1596 515933.7344 693131.2512 25667.26137 232566.8812 418701.8394 23554.78487 16322.96115 383185.9037 781224.9678 359320.3284 29479.35209 417503.2793 134335.4082 291599.652 28620.66487 769847.8743 739994.9215 29999.36304 18274.50009 718326.2792 824364.971 23461.93362 1427690.344 2102563.787 959439.4447 1335248.619 30231.00792 1220283.465 1028485.093 33238.55608 829185.269 1371984.102 34534.18202 721544.5269 27124.75002 268322.2297 26135.41068 753856.5464 655009.1563 23175.12356 321894.2551 63265.92659 613391.8429 29681.22662 381096.7458 278829.9021 19170.72102 139635.4691 17080.04433 79009.55292 71209.22359 163992.9009 350645.2115 25222.02457 241844.244 436018.9937 27586.61559 149305.7977 12789.97936 219306.7534 96618.74044 675992.6545 32043.91531 1007618.273 1236594.312 33918.46055 19834.55331 1217194 535228.341 900575.2297 730649.9517 28050.52875 702230.3964 22886.56559 757324.9138 26106.41845 146931.4186 710389.2725 22603.10744 1423712.855 989901.1381 877471.0641 1191074.808 37103.03395 95624.67269 863050.3275 25614.32234 785708.9564 27448.41047 1383863.644 1848362.014 33369.42372 1127903.104 790527.9045 27099.05196 1214069.819 38843.67336 852155.5191 474041.6083 703520.415 26973.1916 1068263.16 667457.2287 580679.7747 29366.53666 718643.8303 28581.2268 481543.482 1564499.556 862031.8269 24970.41011 1048461.387 1372066.904 27757.38747 497747.6123 19886.15224 737913.0044 699904.3857 1046111.895 23837.57347 821533.1018 24326.30112 500481.301 810268.79 20370.52642 494496.9697 387686.7521 25882.15183 501476.1404 Guanidinosuccinic acid 3033.526103 7375.164846 NA NA NA NA 92338.28151 87461.51271 95133.78786 94620.2414 92369.97493 85891.34049 80076.12527 72918.78651 74513.80503 82410.9998 78053.05277 83230.64828 79347.24648 76177.9232 78110.2281 79845.23775 81868.30751 79464.41478 74956.22232 144377.3479 94676.96592 81396.47422 182348.6731 206080.2189 121411.6912 138527.1882 78926.7509 113630.5336 182470.425 139814.6652 76323.69796 51087.6643 42984.47174 75974.18634 75077.37512 37768.71679 72801.10867 45379.86603 59594.43075 21064.202 179269.0846 320421.4266 131084.1538 14316.86678 50120.77908 28430.11246 61140.1668 10958.27635 14365.01271 52355.64662 16676.0514 36086.91947 39509.3262 44553.59251 28319.24338 24191.52929 28430.39708 52694.3934 45502.76332 16124.39725 21833.32275 40526.07381 96693.9508 39709.15674 6037.721621 16464.73478 36971.74718 87493.50233 52252.20406 85944.10701 159151.3788 108691.8249 75618.14918 118637.4631 53180.15695 71941.90973 39958.1263 40837.75077 65978.80315 65452.44225 46936.09648 138309.7149 40863.33489 64682.92145 83450.19074 28169.8682 16515.1328 13071.05158 99757.26225 96662.26155 65251.18211 71543.73096 21723.95766 6760.986495 23192.31434 44412.36625 16086.77587 11074.01204 10819.68847 5790.348954 36409.18113 10016.14715 10064.57286 18719.97051 34107.89575 75621.08049 23598.0754 62037.88105 75269.85712 8553.506029 19719.98558 21403.33851 12099.19593 38389.26753 57340.64399 45394.50329 60924.02054 23209.39863 91171.64326 43524.09587 70566.80202 43026.69943 63211.61558 26653.96434 87966.61647 49872.40627 100866.9831 84484.4986 24305.63674 71662.70579 105722.2086 74343.60445 41121.72249 51368.87823 60159.39511 47896.86155 180512.2943 85097.56531 184659.3528 24890.23309 54298.59138 33954.16215 71168.71581 121588.1075 50196.48466 76199.86052 162305.7962 103263.1822 45829.92495 31766.23237 21046.6798 22375.72855 54731.31035 35279.85089 25636.87256 15378.1114 29462.38153 13533.91629 41266.13822 32346.90889 25460.79847 51052.88455 52763.04924 67238.7217 89021.58572 128135.4406 71739.21602 125891.706 105213.5702 52168.04634 66465.03274 104263.3389 92710.02556 111630.678 52059.73394 40350.15333 80796.29021 66504.17083 52703.78607 103055.8938 83212.8458 Guanidinoacetic acid 27112.20029 11565.70151 17000.63973 5564.754851 2479.735879 3214.607013 1895881.906 1824477.47 1751831.567 1588255.256 1501069.781 1432171.618 1402203.585 1357556.55 1371163.717 1527270.498 1388661.414 1523459.295 1369826.048 1305831.537 1273963.201 1283913.393 1417042.228 1317235.047 1325972.454 1839378.957 1369077.52 1049407.474 2906996.561 3466277.3 1920823.795 3736883.443 1737732.925 3701694.77 1899852.582 1668228.558 823135.2809 1519247.465 986526.7055 1573955.949 1712372.106 813940.563 1617076.926 1322056.374 1443565.675 566487.7457 1140022.45 1538728.253 727663.2004 247560.414 668649.3712 494411.991 825418.193 232626.7337 314184.3435 1276203.741 540100.9441 868895.3166 540648.7652 492925.0862 475281.8402 478496.4977 508505.3405 1002369.602 1145746.644 438306.0583 608535.6159 448380.9812 941827.0628 472613.3773 449976.358 897075.8785 2183483.184 1449116.991 654576.3333 1803898.373 1611592.911 1144131.231 805162.6538 1993273.525 1228631.656 1405212.576 953014.7489 1390998.216 1615289.152 679055.5768 496633.4479 1440352.288 734221.5344 1035683.201 1131902.32 655142.3948 482698.5675 356968.294 908647.0954 915352.8402 575656.5503 869183.5778 372553.8216 157530.8431 787891.9866 1223089.887 547124.0398 389699.1473 451340.8875 266182.5954 356178.3326 111597.2452 141066.7457 304093.8789 481582.701 803977.1973 540542.2433 1119261.566 1213644.799 273488.3184 695626.8568 506086.4618 208653.9554 409393.0727 417688.5441 1013137.131 1490321.916 677052.7205 2373128.514 955160.1853 1457521.362 817770.3808 1392451.523 540545.8616 752051.8431 630941.4161 842894.1285 1051599.557 432438.6624 875470.9868 1378126.05 1064650.562 552657.0848 933463.9277 1273738.47 579063.395 1282210.382 585544.6082 1161488.762 586567.1389 1782567.474 853748.0663 760524.8188 1113853.506 483861.824 602044.4229 1083472.708 813440.3742 682679.6472 505069.9166 304082.9089 817058.395 1900651.103 1239845.052 1061610.395 638000.7189 1805804.296 360912.9823 964322.4667 738432.1572 574885.3645 981013.4525 1470889.485 769397.1771 1005552.283 2158295.912 861628.7165 2189967.32 1383312.902 607036.0354 1034359.435 1530529.95 1477826.531 1882235.661 764013.7281 713452.8359 1459975.505 1114447.499 331282.3462 755085.3884 499396.4599 Octopamine NA NA NA NA NA NA 92021.95081 96340.32774 91819.54001 99029.25058 89837.14407 94083.01712 83070.03622 79832.69479 83042.39341 85815.42857 82399.41482 86035.37749 76695.86479 79908.82359 73741.87792 79709.28259 80003.38091 81061.06595 76054.30969 154233.3045 109449.0485 87367.58511 189238.8775 221690.6965 131419.2329 140202.4808 84782.03442 134383.2272 192478.4356 144274.4777 79852.41383 56564.06214 43090.04183 83051.40742 81061.15228 39128.11552 76316.73958 50912.41747 65734.28802 25555.40986 196647.9351 330337.795 136855.6155 18373.29755 55368.63838 33219.23013 68260.50668 16124.0252 18289.41548 59829.82217 21162.45761 41064.72899 42770.69207 46802.77787 31911.93253 27659.39084 30068.24697 57302.10289 54859.04513 21527.06931 28142.69166 44282.78725 106087.2499 45610.45768 9918.079057 33107.96804 42423.30168 95107.17238 55787.087 94295.23561 166517.7911 116343.7969 78346.48125 126460.1115 59760.94176 81746.59581 42822.30863 48192.71559 71351.55702 70370.94413 53981.61274 138425.4968 45359.77811 68516.84442 89311.99906 31215.87762 20863.10696 15695.51774 106087.259 101708.8382 67772.83937 75657.07462 25749.23895 9748.811588 26346.24306 49272.80485 18836.64315 16211.48925 14655.31286 10152.48129 44701.87585 13140.51858 12616.78373 20913.74778 38144.40579 83130.02849 28459.24943 71703.07865 81386.46537 10637.3427 24154.17677 25510.02803 15039.04126 42892.75046 62646.17255 47639.89977 66611.74497 28100.50459 101887.8893 45623.0302 74248.95478 46201.5883 75832.95138 30069.66156 93292.44293 52072.00609 104651.6108 89392.62999 25815.07772 75837.45092 113071.1194 78977.81625 43030.09475 55368.50439 66709.52616 50814.05946 187457.1827 88838.39529 191440.2645 27515.55007 66900.35878 37962.24975 76248.60256 130570.1153 54300.64257 79442.32126 170931.7456 107143.1505 56485.65325 37240.12563 25052.1961 26158.22918 59258.70518 36498.78611 29399.95602 20136.99254 36368.93781 15574.22304 47638.99003 37659.9381 28746.3102 55920.39401 57709.75871 73143.34868 95827.51377 141003.1304 77998.70842 132041.8453 111033.2964 59047.79443 75437.00456 114027.4072 104804.4565 120235.2085 55695.82942 44727.1574 84950.21131 72933.93511 55719.85435 115391.0025 89871.06834 Serine 3093714.911 4085736.1 2348352.238 604880.0807 939126.0784 651110.6677 16108353.33 15018052.15 15493120.93 14989499.66 13614366.36 13111204.06 11600808.03 10666821.8 11504328.82 12018424.47 11667779.45 13259349.95 12038037.91 11304775.51 11220469.44 11071820.11 11409805.48 11266217.61 10959206.13 15744985.7 13916323.86 11803892.57 14934404.39 15927307.94 11892128.77 15659331.86 10999952.88 17065052.76 11368894.55 12767136.78 7986308.301 13847992.15 10899045.57 18009541.19 12756925.37 8980779.112 13458273.17 14927465.95 15511607.11 7189547.502 14056861.52 12398656.28 8779382.683 2665572.673 4652564.437 3809095.34 5994521.713 1754004.495 1887993.069 6479085.399 2405174.379 6197728.359 5983673.002 6887350.031 3261238.402 5457938.947 6939336.768 10971355.6 9535183.358 4056527.547 6310070.799 6278074.642 10718473.05 6286849.44 1622461.9 3182804.403 7452493.434 11583771.51 7960407.792 12261733.95 15196201.92 13017531.5 10873507.5 10206734.04 32271895 10865197.31 9404049.14 12463600.92 10622910.77 8624150.661 7611290.188 11951428.87 7645699.93 11029102.16 8605230.247 8889377.475 4437371.922 3786081.416 6195085.919 10539593.62 7559177.052 8904459.708 4138427.003 1502981.226 4740803.261 5946859.839 3086964.513 2658609.618 3126913.573 1775528.627 2919305.168 1438486.23 2057615.656 1708246.289 2937031.735 3940129.564 2518359.674 5679523.146 5529137.587 2547900.319 3712800.751 4439502.057 1800017.582 6552131.114 5126386.466 13013847.91 17547111.6 5066120.16 10624066.38 7360082.647 8853140.117 7138630.642 9050781.318 2897633.837 8341788.882 5455626.854 8690152.726 5681433.331 2546010.591 7921504.912 9310731.693 9784083.324 6077811.954 9590483.899 11317942.01 6927099.879 9961635.793 8554154.007 9934399.472 8212856.744 11569437.55 10548318.55 10092950.04 8877729.336 6550284.847 8226191.196 10765238.72 10347779.56 6630183.117 7364045.541 4730682.72 6611704.531 11139173.89 9878818.002 13360398.47 8243235.47 15031656.75 5917733.68 10202096.49 8820408.498 6323755.475 8499867.727 8540211.098 9840543.952 11888376 13925359.65 9161075.364 13276401.83 11455869.52 9682460.508 11608235.55 12876332.77 9227951.95 9414060.497 5465103.216 7849543.71 10472910.89 8747994.365 7291342.172 10493880.64 9046575.299 5-Methylcytosine 21437.47011 30698.17118 NA NA NA NA 153970.7188 155099.5921 157845.9182 147909.4525 139874.0774 137111.5993 122491.2606 113942.0329 127339.4288 139995.9383 132353.5647 131610.9083 125210.2397 114592.8647 104904.626 129525.5651 126950.658 46024.16134 112800.0408 NA 136072.4758 124655.9468 189448.8389 10387.21579 76268.47571 NA 67202.8952 135987.9991 NA 58196.87362 54784.27151 103389.7845 93673.39656 NA NA 79570.83451 83242.04541 30707.67161 NA 40586.258 153451.8611 NA 70114.05704 54590.53934 NA 27923.71312 NA 61249.69586 89984.85201 NA 48555.26126 59432.61419 50735.1011 57076.61327 NA NA 45149.60774 NA NA 27315.88312 48108.269 42427.17906 NA 42812.0511 NA 21660.6893 NA 132703.0205 42784.74484 NA NA NA 36724.29997 NA 187207.5109 86475.60802 63705.57527 118983.8824 NA 62559.36047 53785.46562 NA 30094.93645 100525.4884 NA 61152.56099 NA 24069.95888 NA 78618.03343 51009.65205 NA NA NA 29457.28507 NA NA 54646.62604 NA 50253.71164 NA 35367.36491 21123.60126 44755.14189 31363.71936 NA 55868.4597 52601.80331 NA 49830.99342 NA 30755.62591 65967.83399 86822.53429 NA 85075.93813 50910.54926 NA NA 47652.47282 20428.86293 47806.64795 95958.60826 NA 35224.5382 NA 84004.68628 NA 16622.91922 51423.52617 NA 92640.72731 41488.92902 75574.17619 49262.49669 NA 17295.00663 57885.52385 NA 69401.47817 NA 129478.8461 65312.25688 NA 50823.20108 54476.23975 NA 96364.1626 NA 83767.00383 31585.41161 45328.29608 NA 103913.7217 NA 54267.14665 NA 69981.86654 NA 48261.71083 46567.94374 38558.69955 NA 64420.48539 NA NA 50581.1969 NA 104029.9744 58667.18732 92141.97062 NA 39805.49843 NA 50343.0927 41479.24811 NA 81612.13193 37832.86903 NA 84166.17154 Cytidine Monophosphate NA NA NA NA NA NA 13217.88333 13250.25232 14848.87617 15617.04879 15005.15004 11277.45542 10268.69359 9782.468046 16763.82892 12008.43365 8116.913637 11809.1662 11282.05415 8958.163257 10896.81137 9883.372798 9070.214272 8025.058872 11891.37166 4800.125319 21693.1488 20805.61446 22823.53937 11146.52201 20243.26643 6610.717561 20345.15266 17695.66861 15889.8299 28582.16446 11136.16211 44977.25215 29711.43756 5074.615472 4843.891486 26485.9559 43818.2608 34130.5227 6964.674623 25906.67198 33335.95258 10639.36468 26509.73269 NA NA 3461.464487 4143.574838 NA 4432.841718 9759.231619 5148.694363 10598.43849 10710.65011 27013.32553 3341.961249 6214.028302 7448.684609 4567.509793 5678.040272 9031.611506 8143.578484 6647.375069 3199.089147 9965.74547 NA 5047.872397 4826.103279 25444.56394 34433.89631 6616.655365 4926.559164 11300.47704 13240.11562 8598.643239 17859.8915 19303.35377 30581.22698 25331.63793 3427.958512 23152.88446 27846.23712 11215.95418 21498.84058 18029.91822 5736.083306 29190.90206 NA 6427.311047 NA 15080.82731 17531.36237 6913.843459 4814.610646 NA 5340.832014 3809.257369 7330.700175 8111.55166 NA 5038.21725 NA NA NA NA 3480.443066 NA 3456.377886 5886.47901 NA NA 4385.049927 7071.149648 NA 12293.15925 NA 24208.73024 13647.69077 NA NA 17988.79132 45458.1405 26582.35929 26075.11904 4204.521207 10870.02795 NA 14744.5751 6366.313319 NA 16168.1882 3992.418472 18191.7317 16537.67949 46388.06207 19686.46922 NA 30977.78739 28179.51394 5502.365409 19393.66352 8714.696309 13651.80688 15986.77886 6587.603064 16435.39423 19024.95402 4858.846986 20919.42722 6059.184066 13822.89215 19589.44849 14980.18526 3231.891241 26430.70986 18745.88811 14121.57871 15384.93425 7353.567391 9552.492961 23658.29113 19179.33449 18602.929 3228.960255 16048.39902 21258.71462 13530.82034 17873.40073 4825.32264 16744.15698 28837.64639 25723.09851 NA 17215.76438 NA 15367.41709 9099.065969 NA 17987.75541 14024.60156 3613.820557 25170.90081 Beta-Alanine 54020.97598 201755.3199 24338.32349 8175.002795 66302.04177 12114.71242 760352.0855 679887.5926 753076.8855 749979.805 622479.8568 649836.4382 464067.7635 407115.7536 527834.4662 510604.9584 539184.5375 579619.3417 502207.1321 472441.9494 470359.7042 371106.7795 408920.1017 457053.8609 423356.4293 308443.992 419534.4037 346196.3597 430313.3454 368230.7306 330903.3672 365561.3016 370310.8924 647332.5716 390373.0737 738317.1042 443323.9737 569195.1039 442347.0284 257031.1329 358049.2234 626668.8324 920573.3836 593469.087 362674.1321 220159.0632 643201.6198 511819.1641 567003.3622 94064.87193 201994.1126 180415.1435 151569.8031 52297.0204 65907.56602 143900.4639 74089.60755 280409.9223 218062.1971 336722.2303 60394.48264 137874.0521 222202.0918 201765.2154 772823.5637 244867.1503 467423.1624 100170.5077 150794.5294 148087.0524 106126.1786 247347.5082 918745.8784 594339.992 402808.5496 390213.9443 266042.0041 553731.586 444384.9759 269855.6026 330385.1334 566083.7613 444250.2842 477191.1299 173327.2866 628693.6459 631969.7763 571758.0669 391234.9641 547629.3197 238638.2027 255682.7424 39575.24036 100058.6338 78200.75752 405494.3522 275353.7063 262269.867 133382.5086 128206.1472 152080.011 175247.5275 120601.631 122434.713 54570.41979 63725.1064 63666.65554 114993.8799 124718.4477 85452.66711 163329.5329 125215.5289 58777.01438 140378.872 107771.1086 61870.60374 57468.84806 138915.0278 48382.68819 357756.3173 94037.48602 524882.345 727690.8869 51059.96942 297093.6371 287962.369 377676.5058 428829.4744 498045.3639 59575.56088 580637.1918 158274.8018 540787.213 69858.39831 32145.04953 229381.7106 256483.3821 501825.589 333724.0747 654769.0534 704327.2698 66993.97043 501054.9439 397445.7397 253773.362 344663.77 397039.5432 458160.3873 832937.9876 389445.9153 521150.1594 274987.785 200726.6333 326111.1776 119542.0437 349229.3703 174654.6746 264817.5719 203651.7254 408295.0717 495987.7837 257710.1648 412386.732 247771.9854 131103.0624 331808.1454 348424.6732 411904.4203 233553.2372 443588.7301 566027.4617 665165.9849 337833.1691 342963.9724 350182.0214 427806.7515 357036.3501 197613.6617 474300.7424 363370.2513 279176.575 248368.0912 218209.6664 248868.6243 268367.4398 224246.4926 385119.0401 Citrulline 440642.0061 425036.4616 336679.979 137210.3346 129612.1393 92844.71209 10463183.32 10142943.49 10599570.29 10532679.41 9380575.233 8971354.3 7914468.373 7383560.355 7825255.81 8341317.203 7806328.207 9812187.348 8287892.424 7715607.759 7597776.32 7457723.933 7868048.147 7640718.861 7648281.323 7045319.664 6528988.682 5381788.267 9935177.393 11575267.99 7504771.158 6264101.009 4094827.01 7012323.612 7518627.261 7784111.387 4353123.54 8318248.342 6024071.461 8891854.193 9078941.707 5335930.24 8470001.558 10052177.1 11199973.73 4381935.067 6753103.13 8658224.583 5486753.459 1075056.158 3316544.977 2334663.921 5497079.832 925297.5644 1183983.213 5655621.424 1559706.016 4820885.504 3315065.108 3614262.076 1665764.384 1850459.048 2357917.995 4359269.083 6169034.843 1527280.851 2966322.89 2489514.817 5798191.276 2649319.391 1290769.03 3423347.528 11135142.18 11543157.89 7606708.428 13223834.61 9077374.732 7359612.728 5801435.273 12243509.17 7356943.266 10653195.92 3772334.922 5585812.867 4472795.458 7001155.982 5767330.392 10844793.15 4446617.927 7227853.407 5735103.904 6043738.306 2373041.813 2146865.232 4430324.424 8025771.393 5191590.759 5095764.871 2035258.831 470674.0115 1513883.44 2413164.072 932575.7229 1380052.837 1910957.151 672706.8139 1538331.548 438951.3891 470604.9093 1015426.354 2096016.969 3450900.833 937342.9288 2648155.1 2590826.04 1327137.133 3087071.625 3167460.405 834580.7605 4200961.411 3142017.351 6764354.866 9227600.763 1975568.262 10908250.79 6286899.088 8519892.79 5429074.749 7552636.62 2079437.678 3775303.971 1701501.669 4105449.127 3124708.09 919043.3562 4174506.286 8427747.555 7956960.236 4868471.253 5838950.105 7348391.01 3153441.414 7622697.424 6072017.375 8166865.143 3513563.562 7962171.07 5334112.571 4807939.921 4189080.804 2764572.59 5448210.156 8715259.47 7405471.423 3352547.12 3353458.624 1979759.978 4923167.897 10401358.82 7764697.882 5571587.572 3039644.442 6737624.358 3684422.622 8351100.11 7051791.875 4527079.41 6872359.446 6817560.534 4308887.946 5559843.882 6162295.861 5397119.289 9647903.787 7557614.935 4158509.144 6309635.882 7726073.725 7068809.907 7908460.434 3648468.813 3587981.054 6081020.586 4874348.346 5002701.455 8916997.07 7448648.089 Cytosine NA NA NA NA NA NA 21329.25145 27936.24918 34333.11609 35684.69992 31157.54258 37058.10951 47503.12685 26989.91102 30759.82679 31282.0517 33052.16207 30817.54988 37090.30582 27366.78006 35522.78597 27853.39944 34534.81575 34383.29782 26128.47106 9977.401104 51620.71448 54767.05917 86549.10864 29254.78692 75172.83885 13336.84542 41505.34018 38235.21312 16956.52708 44651.23076 37794.67707 60484.14159 54982.92101 14157.18257 10998.62374 53844.3214 49521.28974 42283.41448 18256.86547 38176.71352 88141.05222 11483.67969 61425.71411 25300.05018 34362.61287 36686.60928 16610.94989 17513.85997 13553.51117 19720.70351 26224.24032 37332.42067 46938.1378 60870.52782 21939.14519 15730.92544 17612.27352 13402.61729 41125.5898 39454.22571 57195.25577 15883.55392 11685.25182 21359.88518 14724.99339 17787.47335 14287.13462 26717.2237 34084.74238 18403.87629 41901.60458 70814.89191 58568.91053 17448.65169 38643.31634 48867.60383 47064.72664 53214.46938 11164.53832 56257.71027 56501.38046 29726.05475 31249.35997 42553.62367 13475.55173 47903.9582 21544.3453 20677.87944 86790.83977 118526.656 90281.79784 8879.716392 28149.72881 13855.67221 24337.01833 20249.01987 21823.53249 23807.92505 21042.98253 19563.3574 20222.34792 12295.82648 18128.74454 16304.11772 9155.156554 8787.613062 25981.18334 29886.02323 23744.72845 20043.46809 25474.05143 25502.87965 19994.80111 49934.47997 14368.80529 55231.3148 63551.7321 32393.98992 9898.391105 19989.44821 14847.75846 88373.92798 74032.7507 20545.41898 27534.06188 18740.78374 24895.37856 14693.55145 16994.24651 31973.316 18792.43556 33851.25143 38620.12263 91803.28289 124882.9857 41561.31116 19139.6883 57896.03676 13137.94532 52223.38987 13422.42986 58900.74302 102131.6125 31394.29361 58243.88706 56955.35717 18645.88768 69456.09713 7327.537544 40943.16633 24709.07585 60245.23287 23840.85826 90698.42286 31575.35198 24810.19893 15067.67423 21844.34733 14074.9189 20079.98293 31101.36106 33713.81869 19809.1686 51980.36454 53830.83541 16039.48974 32793.64748 10814.53984 39366.58048 71300.18125 59008.07663 18533.82071 56036.05025 16358.24036 39169.19568 38136.00217 12776.82105 23915.11757 35993.14407 18855.27464 39090.79983 Diethanolamine 10945187.49 68307870.26 5829699.209 3166993.627 28113796.64 1833493.709 12223103.46 11840171.16 11759298.54 10735131.32 10957357.98 11177403.49 10402766.12 10060164.93 10679061.97 10932217.41 10734987.98 11002464.95 10924406.7 10555196.76 10656956.09 10912231.42 10969190.46 10458797.1 10758302.92 485638.4326 25531735.65 1827025.061 28099030.31 494523.7275 2901140.245 460600.5406 2660049.601 23499550.57 452102.4577 24713374.29 1826863.416 24234731.16 2827928.963 466042.0329 409396.986 2177581.184 22028854.34 24742436.6 438313.267 1512733.711 23844985.28 434756.7968 1958874.992 529491.9537 157150.257 8186826.233 258911.3438 803713.2733 7146793.088 1095297.541 7045461.952 1867211.074 14189443.66 1714718.982 341479.6134 8123424.552 1138710.836 451470.2494 416020.8063 1698520.651 13611989.65 8282086.181 471174.3964 708319.4293 456474.2271 7361460.262 519681.2689 25747399.75 2113568.614 675174.7256 524870.4663 23647157.64 2273106.304 444846.1541 2231520.554 19447923 2201849.471 18037127 360335.5617 18785986.29 1703814.533 722502.9558 1586634.718 21468851.86 379173.4656 16215875.71 204205.3043 546412.0535 259351.6003 16895728.31 2647713.937 398796.9155 8916274.088 375246.662 8536458.266 163111.0877 554217.9033 6116991.394 100100.833 488222.4286 91030.22686 360365.1122 5044996.642 5308779.673 603017.0506 251613.0877 399661.3868 12410379.49 261113.704 445653.3938 151050.444 7204843.773 6588522.884 2151530.207 235775.8528 3062839.148 21131846.37 521698.5708 369498.3014 1927397.157 19363192.4 2009500.665 22233258.85 4152830.534 2351093.563 211016.9653 14677540.35 292967.845 5653737.852 1835525.356 316401.7217 22163119.22 1655773.941 2789525.976 20067920.58 249295.8392 20007810.02 2121810.307 459250.8748 2512935.594 270351.8247 1063043.174 21259502.85 419930.183 1895227.169 2228523.909 462092.2201 19769455.59 424252.5624 19413958.76 1965759.408 2148488.28 524704.97 21549256.12 21576638.84 2504925.101 570188.0612 1487050.052 385017.5281 15154905.21 1739734.684 20370407.18 416556.4856 2083727.309 23883101.46 410649.2864 2241972.7 718481.1416 23039758.65 2400902.92 19408514.02 509772.6504 23369109.72 544474.413 1629213.909 2450945.612 392076.3129 22642987.88 1800386.636 473628.2739 20839828.95 Glucosaminic acid NA NA NA NA NA NA 3056.450286 5576.257199 6033.064434 6478.995366 8581.036808 9238.30531 6483.533611 7015.065116 9029.244527 6097.202176 7319.780202 5254.06772 8205.300733 6648.803083 5967.669876 7446.113259 7825.501715 10353.2812 4974.480378 NA 13770.60017 15578.28558 13954.21498 NA 3188.709698 NA 10628.18713 9964.104726 NA 11674.22556 11055.73353 15965.7196 13626.88789 NA NA 15181.47313 16500.46136 14737.18492 NA 10127.50359 13904.94936 NA 14686.4862 NA NA NA NA NA 1209.184063 NA NA 7790.520669 6140.984434 5922.868167 NA NA NA NA NA NA 6905.646211 NA NA NA NA NA NA 6060.665509 6314.523516 NA NA 10287.37015 15767.54524 NA NA 11036.62077 14840.03936 9604.086477 NA 10215.1308 9681.991699 5168.683767 10904.25512 12834.10835 NA 6396.588737 NA NA NA 13565.20703 12708.4463 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 17759.2184 NA 11873.35098 16201.12334 NA NA 4726.947186 NA 12920.10954 12835.97243 NA 3757.316071 NA 3157.25629 NA NA 6476.807831 NA 12604.98732 12177.08428 21450.85692 18541.04193 NA NA 21728.15804 NA 13493.52674 NA 16299.66874 24604.36526 NA 20828.92494 11189.62912 NA 6123.512146 NA 10708.81933 3849.964875 NA NA 11370.22794 4251.574263 4741.62202 NA 4474.94017 NA 4865.18907 11575.02253 4172.37519 NA 9507.628076 11378.48739 NA 12226.65935 NA 7381.221774 18272.66423 16893.74184 NA 6931.780708 2407.260563 6260.41547 8736.166839 NA 2673.573568 4251.534252 1608.139254 5237.549617 Phosphorylcholine 26970.67486 9944.322973 9309.703102 61337.19639 21522.33313 15324.82965 303779.1214 249777.2682 303372.0961 369200.9686 323616.0526 261851.7234 162782.8326 109171.5861 189540.5787 156231.3718 170249.2734 229169.9731 201679.5824 157421.433 150401.0124 138531.2504 161883.2472 153377.5964 148881.285 14331.91875 368628.0913 205814.0206 698175.9339 22371.6768 266492.8331 16834.74476 413222.5987 264494.4027 16332.46865 631324.3862 291783.3021 1125269.741 578410.507 23284.86489 20282.38591 472939.1101 1144801.895 342335.6944 24936.41682 135567.7974 1298074.566 19398.51271 168074.302 107102.731 25116.27046 56901.78462 44046.17327 319401.0663 211558.8597 13037.24447 31345.8738 45039.45474 42430.70947 59408.21946 14674.94298 114546.5399 107502.5849 43423.4648 NA 122763.5857 71107.06235 99896.60936 11453.581 94742.1061 159962.3247 180754.6602 18067.24169 262729.3772 129371.9742 NA NA 251421.6504 95722.94157 20803.07882 51861.47936 205810.6719 62752.65487 95097.84486 NA 69766.96768 37420.14523 17730.25201 29000.66816 153880.3433 11869.22089 276660.4288 24005.94569 250296.7503 30702.94426 99203.80926 21034.74588 7443.982187 20643.52858 42873.22165 39885.61289 25360.96313 75081.18856 235884.9017 29387.44691 215528.5555 16185.77244 53590.39814 47124.29749 44368.527 138591.3052 13691.13035 105769.0748 30987.19783 20038.72319 133596.5095 10524.49868 181461.6706 40571.11309 111700.4055 14106.5295 263417.3058 500390.687 9915.704783 NA 81252.3327 153753.1131 217822.089 389833.719 8553.99057 107438.8445 18705.8967 132917.9798 25151.00738 71875.99765 95579.68922 13655.91624 319428.1151 172629.451 153739.5891 155060.4296 15001.67963 83732.07357 98714.37071 NA 270198.0378 12217.41909 492219.9728 328341.3795 20848.09874 45723.97039 35074.89383 18319.45015 79439.65106 NA 415014.2617 97795.80519 30330.95742 5579.287551 281183.0065 137936.6973 27043.69742 NA 126870.7287 20028.451 244843.505 83473.39609 189061.7832 16070.50122 39149.53939 121816.5504 17401.26233 393661.6312 16601.05389 211741.2416 602633.9171 550058.1197 20997.38656 253324.4128 23243.87149 161152.477 90985.75547 17770.62846 133041.0836 82661.65358 19588.4582 328729.6664 Citicoline NA NA NA NA NA NA 37097.69433 32155.03558 35116.4785 39645.04125 32683.54329 34463.4049 28201.63735 18460.88351 21537.94022 22311.76425 19886.03339 25356.11076 24419.46746 21545.96259 15932.80267 20245.77311 21024.19079 20144.75499 18498.31933 NA 71102.22939 64660.06756 62129.22516 NA 44131.44914 NA 30024.56236 42842.03209 NA 66204.84586 35731.58728 101817.0131 70640.86498 NA NA 27732.04235 54801.7741 178612.9923 NA 90400.30295 134496.5846 NA 80754.19456 NA NA NA NA NA NA NA NA 11803.46347 122725.0959 176963.9004 NA NA 9902.682509 NA NA 17610.07813 37841.46244 NA NA NA NA NA NA 36665.88958 35647.94727 NA NA 26206.03164 19872.78658 NA 22633.00949 51534.47878 22983.01303 31346.98416 NA 41813.51335 42333.78478 NA 17189.13095 33053.71133 NA 131512.7085 NA 34741.49292 NA 47337.29651 29877.46033 NA NA NA NA NA NA 5666.656013 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 20063.10592 NA 22384.2325 24666.38382 NA NA 23446.98001 30505.6846 81862.32261 72036.52568 NA 28513.33344 NA 28385.78037 NA NA 42770.92306 NA 30917.53631 17778.71031 56683.14964 73046.57978 NA 17170.53118 43129.89266 NA 50728.32061 NA 81493.62947 88489.39044 NA 44120.09028 35936.73436 NA 46676.11614 NA 28682.4282 9452.994385 30073.93829 NA 51819.39106 27924.12064 13385.35943 NA 9449.90718 NA 30308.04396 15846.08467 19873.47062 NA 58581.02663 75681.52762 NA 23284.28025 NA 21619.96947 27932.1218 27443.79844 NA 33106.63176 NA 22408.45801 23311.57608 NA 19778.16756 19555.0503 NA 37023.60457 Cystine NA NA NA NA NA NA 99375.91178 86664.81176 106051.5768 108617.8942 86266.21166 109654.102 65399.53638 61098.73418 75895.43336 85573.98937 78143.27158 84604.8613 86000.4734 72627.90675 82537.38697 64582.65332 62819.5932 54645.88971 57078.94765 2015699.169 15488.2842 26780.09016 NA 2493571.504 18102.24735 1276287.257 16563.72103 4953.738932 2158150.776 4858.362072 8265.48073 3677.938492 16593.39412 1184295.942 1483780.169 12264.60705 5083.338417 6046.945093 2279454.182 9557.96009 3525.993201 2263402.209 14098.55304 10880.11548 298905.7013 8393.501286 1107819.28 11224.85557 5170.253773 764045.2956 11226.31909 4415.453457 2877.520447 3621.862823 136860.0928 25122.35867 44842.2593 1256169.295 1686193.152 8545.265817 5146.626991 28408.79606 1474744.7 28926.50842 6199.916855 13978.44952 1082118.852 9187.177073 5495.595453 954040.9791 1425331.808 14390.09415 9442.87435 1648220.253 16041.38316 4766.994558 9456.785861 2623.511002 1279171.183 4077.625916 3298.795046 1773416.967 19792.04329 6158.126046 1113927.318 12711.86639 213704.8664 11438.43471 548360.3409 NA 5023.362866 1262001.536 9601.399476 NA 6029.765199 922773.5838 12193.3754 4869.85752 373303.0178 NA 205373.2285 4378.749781 5838.337013 4603.585641 NA 354308.6476 5546.465925 NA 487167.7268 3870.689427 108905.0199 NA 8560.56204 NA 790209.8264 25967.15368 9913.014729 196980.448 2061794.165 7709.926315 11941.82709 4894.786998 NA 195276.5482 30788.66646 229538.7529 13382.93752 399290.1709 11998.90638 6157.829727 1325866.403 7977.744791 NA 5765.299196 NA 306581.8032 163951.1482 9408.710148 1436715.92 5102.90911 847220.8331 7232.731359 6999.565305 1482878.377 16877.1124 25079.43439 2723488.092 25223.88062 1160928.969 5538.48618 5353.32213 10622.01064 1879184.04 15745.23913 13009.04568 8552.519571 1528731.076 11549.66436 866409.2775 16737.8248 7771.67387 29696.19503 1023493.747 8715.927337 NA 613940.7233 12390.61246 1219714.216 9741.305904 7220.780015 3472.447554 1213815.371 9834.604836 967687.0857 14344.42079 9087.726424 1343683.6 25805.54749 5559.797377 1490253.247 12629.09708 S-Adenosylhomocysteine NA NA NA NA NA NA 30076.4221 23628.3787 27704.37951 30623.65851 28411.56477 22231.74259 21896.58122 14010.49585 20545.48567 19750.31034 18217.77387 23517.24564 19089.75775 18123.91613 16014.81777 14919.97822 18785.69455 17225.1535 15811.34799 NA 37371.02986 26159.66653 53110.16623 5774.556913 29371.10678 NA 21058.83425 67508.44565 5276.907811 49207.32252 21502.95761 32622.16293 19357.43368 NA NA 19881.96629 36994.14022 52964.81723 6040.255794 16718.82736 43317.76426 5703.143238 24287.62122 NA NA 6389.226 NA NA NA NA NA 13569.15698 19443.43569 17910.24441 NA 4134.898748 6054.082828 NA NA 9887.396824 16212.1645 7549.758947 NA 7302.683788 NA 5481.426741 NA 29782.06019 19714.08534 6420.6246 NA 29285.82267 21517.78819 2993.484578 25422.03444 60960.64111 29895.13405 38678.66327 NA 45801.10375 28759.80955 6115.697308 19895.50808 39919.24417 NA 21706.45274 NA 5819.275717 NA 36225.11854 23365.94355 4515.816174 9706.973563 NA 11544.2002 NA 6295.471732 5588.50313 NA 4095.482939 NA NA NA NA 5721.256309 NA NA 10284.24957 NA NA NA 7369.449743 NA 13790.66383 NA 27877.67305 38056.32852 NA 4133.078777 19313.2781 14566.87662 26909.2119 29342.49344 NA 15777.75367 NA 15086.68558 NA NA 19264.54362 NA 32906.57562 16050.28064 18481.38419 38052.32877 NA 7204.511832 25022.20307 NA 15302.29199 2316.531007 32773.36836 46745.59723 6980.822717 25011.75541 18386.64585 NA 26935.95614 NA 33394.64813 14798.54453 14406.37566 NA 20370.01812 29738.19393 14318.28849 NA 11938.29028 NA 9883.177093 19252.76739 16320.70643 NA 31375.28912 41787.70007 NA 15962.30181 NA 21124.21988 15196.36255 16092.86914 4862.757089 30509.87565 NA 9207.085477 20283.01606 NA 10266.51205 13275.33103 3198.52282 16849.79359 Cystathionine NA NA NA NA NA NA 11656.73972 10026.65378 13642.23583 15400.81456 14995.63335 11684.44343 7688.665167 7952.105628 10155.15896 10079.84092 12022.93349 11555.07366 8844.448164 9552.295087 9669.86402 8081.001191 8851.587599 10073.28687 8270.108151 5642.732161 6539.248625 5212.171093 7489.327673 13578.39178 9109.261672 4218.96037 NA 3542.910394 7330.349841 6039.080981 NA 5283.999917 3698.824778 NA 14275.9844 7032.998792 9215.845354 34023.62353 42242.23249 7724.092478 11813.73884 10677.84148 7034.97694 NA NA 1166.621422 6619.229689 NA NA 3234.893821 NA 4400.998365 NA NA NA 3283.063064 NA 6626.545289 7907.64517 NA NA NA 5729.795563 NA NA NA 7101.026532 9937.097189 9352.350937 9265.789379 20206.31089 10331.54231 9526.544285 27810.63114 10556.97586 20502.14809 NA NA NA 9653.688199 8080.779738 22162.90718 5968.223688 5622.558464 8855.025452 9353.041669 NA NA 5686.555845 11085.66832 10083.08224 12923.18763 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4594.009859 NA 16916.14158 24264.96088 NA 9342.131778 5536.768092 NA 3783.561688 4406.888827 NA 4376.144046 NA 5203.296462 NA NA NA 10483.11689 9720.644577 6223.003523 10732.93992 12374.8728 2976.912459 4368.245189 4908.728429 7517.44844 5823.937364 5949.997678 6895.325303 10839.62499 15291.93207 5387.571651 6226.84087 10739.33273 7317.545047 6030.814492 3872.195792 5112.716775 6613.129403 14715.70522 12984.01018 6447.462397 4446.11703 7684.744914 NA 10959.92332 6421.741079 4925.512146 7329.455551 4568.924287 6545.319866 5169.716549 6476.237247 5899.688193 6974.186138 4633.980509 6705.303916 10318.89087 9784.247345 NA 7805.558662 NA 2410.70316 5738.544757 6369.04054 5564.99955 11811.88781 7760.641094 Galactosamine / Mannosamine NA NA NA NA NA NA 50827.28136 52438.45155 60945.28417 70830.86111 45836.6938 43608.86167 37403.85449 37269.94814 38955.78299 35228.6475 33248.80487 41357.92505 38575.90644 34769.38413 44915.54472 41608.56313 27694.48407 32130.53055 34306.24239 19612.46461 57758.77379 56223.16758 56764.01763 28182.55057 41138.64453 44628.14375 50594.37253 51448.63663 13912.6239 45566.6755 32651.22967 149201.411 78636.11337 19725.52209 15269.55706 37665.83449 81060.18558 66465.49506 36401.06413 33071.4917 67765.36759 14327.64375 69593.02325 6114.441334 14254.19523 9275.623803 16432.18031 9167.058689 13473.96293 11624.03686 6558.006938 19932.91835 25381.43742 39567.10098 3882.959367 12994.47238 19847.17529 10467.18099 44170.76012 28256.62646 36559.31245 13580.29685 8496.360207 18182.96142 3332.125765 11550.21321 9258.180269 47888.57935 38863.34752 17305.25751 19112.9218 42118.29556 32908.52506 14075.40356 23950.53426 27933.28997 40235.00466 42019.05403 9278.510264 24624.74498 22125.4751 34533.6371 35004.63029 42754.29613 13178.41363 44083.13671 8789.514409 14218.6019 17013.11151 42538.89106 42239.97634 11884.78942 11672.53871 3323.453137 12349.64371 4800.63304 9648.319523 14441.19056 4143.225126 8538.198034 4519.715215 4785.078432 5816.183117 6710.652649 7727.928162 5402.866637 7460.201376 13405.89747 7846.479451 6904.500197 6372.165502 7618.185231 9597.433896 50936.76949 6668.579236 64756.82929 90621.22528 5498.997819 10640.32496 22691.09403 24803.07424 25704.88945 29939.4262 8967.7837 37525.09353 4930.425138 31050.40617 4790.448347 6197.881451 35265.73784 21771.86377 64147.11016 38468.92763 84191.79661 64168.9907 4264.071468 17965.06558 46131.7448 18527.2135 60241.50346 71556.85796 79307.62794 62345.41993 14326.20655 44579.54604 27334.53425 14083.56095 30894.3911 12641.80875 64123.4066 29305.75002 24730.89972 8523.753893 46086.93996 16243.54463 13252.02076 16303.50184 52020.77462 15325.09705 48036.67055 43034.07887 35478.47309 11918.19925 31069.48588 28659.99511 27198.02264 40546.83861 17006.00197 30128.64076 73379.93055 87598.84105 17214.45088 36387.24385 21128.56337 28602.21059 36370.71284 13143.74446 25939.17923 18396.22588 18894.27914 32304.13857 Glucosamine NA NA NA NA NA NA 39106.72282 43149.85175 36565.76699 41701.76579 37918.41818 38519.61984 31706.75521 30086.44448 30273.08321 30678.32058 31851.06627 36711.66945 33123.7195 27336.05562 29571.1846 29791.65649 28148.86341 34509.65856 31755.24743 25343.15919 53493.56008 36569.84835 21273.09591 17964.7014 15649.91121 26860.79766 29780.1362 26685.75115 21281.57094 40234.78513 17960.3582 40396.24957 36754.42188 22099.0392 22320.63441 18385.37128 41957.96463 65314.18931 37707.13837 22392.48327 32183.89798 22580.68298 29224.91019 2761.903169 5745.855485 2249.832457 13476.23234 2844.977218 3965.478796 10739.12478 2732.485558 10690.18113 20049.9685 19834.76023 3645.467787 19325.19796 17232.54688 12839.55021 19189.12804 14384.84458 26029.78612 15964.28942 13271.59197 11913.07543 4756.378126 5558.951973 8469.373926 21552.83516 19233.16176 18750.73301 19562.29367 28890.56229 19145.52095 11765.14692 17337.85003 25391.17534 22974.51461 39356.04636 15518.26839 15912.76952 11949.67193 26109.78865 19645.10854 34104.28137 13140.20273 46716.31347 7714.513533 12808.18099 8944.990018 38894.2344 22123.13023 13625.55129 9497.916322 2636.703721 13204.62974 7475.191579 7094.648205 7023.279426 4865.871035 5171.101661 4178.05736 2913.780953 2436.077659 4464.22021 6480.492144 6628.178931 3037.701028 4165.329478 6509.738882 3661.937555 2440.016435 3559.542282 3030.158614 44731.69181 5502.031179 55181.80947 92465.9269 4931.667711 16992.63041 13817.88307 47537.56685 14859.56967 21919.19019 6227.221112 24863.26793 6820.841733 37338.49041 6410.769923 6163.225705 20093.73598 19993.83973 36261.94759 26421.36924 54105.02584 46008.55514 12243.52007 40985.56501 21609.54691 19332.87767 24581.1973 95353.8371 48478.48112 22366.58363 9915.765718 11177.49557 20976.20846 18606.99168 38841.43464 21477.76622 64464.5772 24765.12602 15196.49311 15820.78735 37767.05592 11735.81756 8055.367871 16191.71167 24318.94854 22241.54428 68464.803 22545.22934 55643.33217 14864.41786 13818.16194 14133.01467 18156.72529 32124.78386 21289.0227 22750.33806 22614.35304 38033.98954 19482.82733 32427.43152 21747.28486 29671.71882 29648.11969 17944.49972 48430.62655 17612.94425 16577.08802 32842.5754 Diaminopimelic acid NA NA NA NA NA NA 14246.4966 7159.757482 13559.65531 10802.64445 13334.09023 10164.45306 7232.970168 NA 7755.959651 8907.947553 12315.51212 7069.546979 7830.94135 6534.411641 8994.573189 9077.265887 5061.995223 10367.87309 9228.603601 NA 11903.11032 12878.04909 33561.42812 6192.036253 27324.07391 5154.978344 23465.71242 10898.72413 NA 19025.18239 12197.7922 28139.84486 22002.01903 NA 5275.459287 14473.07831 20916.66474 10317.27827 5033.882887 7637.736208 26563.39465 7954.521385 7072.44912 NA NA NA NA NA NA NA NA 17282.95215 9404.194357 8871.358921 NA NA 5928.591708 NA NA NA 7995.663643 NA NA 6554.255428 NA NA NA 26880.59847 29831.90231 NA NA 15967.17837 15861.71658 NA 18935.6641 10998.15336 8633.704607 7626.191353 NA 7976.042325 10667.02577 NA 5412.066508 9015.485234 NA 14998.7018 NA NA NA 9326.397484 8262.687434 NA 7199.655175 NA NA NA NA 7532.875321 NA NA NA NA NA NA NA NA NA 8038.535326 NA NA NA NA NA 14400.53734 NA 11916.26281 12144.38518 NA NA 10037.11716 9028.671365 15083.06979 12113.37903 NA 9116.552664 NA NA NA NA 9338.949516 NA 21270.89663 14834.52673 23589.93711 9997.008465 NA 5309.605211 9650.176786 NA 13767.09351 NA 10585.93848 11687.08049 NA 9262.977869 5907.913191 NA 10711.2149 NA 9088.9655 5665.580884 NA NA 11116.99379 5387.555249 6918.976843 NA 7477.347498 NA 10939.56071 5164.783459 7658.810893 NA 7126.780488 9369.482013 3430.05976 26605.04829 NA 8301.409614 15822.39343 11048.56862 NA 10474.69246 NA 16317.18795 5760.284445 NA 6076.517078 19325.14263 NA 12653.3144 Asymmetrical dimethylarginine NA NA NA NA NA NA 675328.3512 570192.1557 718406.7497 748274.5699 572560.4576 512108.584 361486.3452 325882.6221 336758.9991 361670.3295 351131.7251 450049.4218 382825.2592 390695.6543 376635.2129 323751.1162 387740.8254 304662.1147 327393.737 613784.5576 384543.7572 306437.066 458452.7241 602933.5831 288815.899 508758.5346 292850.7261 514335.7465 462108.3765 425346.3896 206703.7116 656567.5401 448342.3294 703464.7469 645677.2521 284366.9257 570794.488 532919.6661 699783.4282 147353.0415 381885.2207 608479.2471 259408.5238 42844.67359 86034.46336 37958.34318 143301.1529 21784.08708 18051.32557 182058.0044 26105.72641 119883.8128 125376.9241 148479.27 48273.09512 36919.28513 69135.80297 157788.0291 320150.93 79592.95531 108837.434 71529.17889 223572.2412 101426.981 28774.89528 29836.67893 216501.7313 243948.1161 220403.723 298412.783 357742.8822 249597.2655 173271.5899 260951.1253 139471.8533 214752.6293 154400.9562 270788.9158 250337.4026 188608.2106 170530.3763 413335.7742 140634.9507 300565.5516 251320.1724 150133.9393 53051.03734 30053.26737 108881.7317 345775.9247 182349.478 232384.0283 45523.56563 23335.17859 36484.60265 84776.46272 38486.08083 34343.6931 41524.94441 32894.51022 31387.19031 20817.69626 24742.89502 25156.69454 25815.01279 72598.96716 18843.09843 65950.71088 49694.40592 32940.09994 61719.75364 30683.10557 18231.18318 137315.1642 70232.79617 279428.1181 415671.5259 56352.73618 435682.8675 158363.2916 273148.6707 221976.3318 315829.728 60310.11834 124533.452 25799.2206 104666.4655 63032.70137 21734.10942 140418.958 327411.6445 263775.4557 131578.4571 231675.3907 203251.6052 99635.91678 312042.5142 172425.6163 331819.7877 165196.5496 240958.5473 260862.3862 217675.8576 209151.3676 128110.6119 194923.6134 477377.947 320964.2977 281381.7453 200591.5585 82313.65017 117014.6622 300873.92 262619.5299 269626.7758 95392.67282 333903.7413 85487.14284 307938.2834 189588.7439 121106.2355 224929.9172 185459.8945 118100.9766 185372.2871 223497.4445 211603.1594 301716.9499 192922.8679 297812.3093 377361.0551 426975.6382 252043.4839 300897.1921 139833.653 124805.1214 236440.2709 154409.9624 178020.765 320758.1917 257419.4472 Histidine 842602.2305 1088849.872 676224.6259 470411.0786 355273.9983 235458.4299 35577360.49 32773510.1 35353652.74 35633457.44 31234878.21 29473743.61 23710558.52 22317992.22 23511387.8 24815479.49 24105606.63 27853023.18 25773252.63 24381408.2 24420955.21 22818637.01 24128002.24 23394210.32 22912790.27 28483627.59 25300613.41 20855088.49 23984596.9 34095727.61 14146858.12 25275228.62 16073444.51 27248448.12 31301832.69 26170660.73 15655653.75 23066240.42 17474731.65 30422111.77 28024993.2 16004596.26 20277656.64 32580855.15 37693125.62 13383456.18 19003309.91 31559401.02 18412753.94 2643271.106 8752592.761 4590967.475 12921870.53 1896925.172 1903061.945 14073003.77 2081486.39 9950419.172 13104643.95 15701061.85 6619041.055 5549558.596 7432218.938 14487669.17 28614292.75 7536461.265 13393327.45 5811075.465 16304836.74 6664784.708 2104498.87 3779067.596 20362887.9 19163749.88 15537553.28 29706317.72 26567862.94 19392987.49 15997336.41 32418535.11 17880479.98 28009338.93 16859276.06 22396725.7 18821911.32 16147459.61 14938931.31 29807103.9 11491108.11 17834641.31 14446389.79 17372568.38 6198735.539 4976238.663 12466162.02 22631096.16 15136589 21931479.48 5763938.774 1766154.76 6401678.624 12397521.28 3897503.33 2842740.312 5168651.108 2083610.315 5937184.069 1538789.952 1501525.112 1813287.169 3279484.966 6911317.492 2733613.257 5799212.105 9837634.019 2678104.394 5469647.704 4519010.487 1293972.758 10578031.98 9060731.779 25219248.07 32757715.03 6529620.69 27968434.37 12779819.79 20038117.96 16910267.39 19027607.86 6828210.613 14697405.05 5984018.15 14541445.49 8184867.058 2348857.826 11696165.6 24970168.59 20229592.25 11989177.48 15263976.26 17282983.97 13735819.44 19560735.58 16054286.18 25345934.61 15422074.31 30111914.63 22851760.19 22624932.97 21823852.2 13069738.37 14027762.86 23294879.37 18763124.75 29170912.87 25290215.3 13460326.62 12711640.89 26973747.35 20874195.62 18697314.31 9703534.713 23741580.49 10306315.17 23593181.12 18604005.99 11768942.83 17321334.4 17188122.27 16090437.18 20503553.15 26091035.65 16594134.64 28584463.63 18953792.37 15116301.07 18548859.2 23079748.06 19112873.51 26061581.12 10913750.86 14167055.19 23064778.58 15758041.71 11418334.53 23427915.26 13741533.86 1-Methyl-L-Histidine 19776.51043 10569.46571 5691.021106 23486.32786 14307.23541 10935.27976 3219559.376 2691511.666 2980816.8 2993237.697 2477663.314 2197644.296 1852794.275 1533213.728 1802436.28 1738889.834 1799335.328 2076770.742 1971614.938 1869937.557 1851969.656 1809572.306 1779887.467 1749624.21 1399163.381 2578613.798 2125543.294 1601908.586 1839201.674 2139777.236 1166755.193 1885495.067 1109801.301 2222512.212 1995691.687 2068336.423 1035799.857 2147258.865 1334364.927 2094647.599 3056991.141 1603556.275 3033105.603 2378348.826 2397259.913 730188.4698 2500143.982 5201874.588 2671219.919 303689.3943 694040.1305 559001.6348 760390.5931 125678.9519 137582.0965 976934.1577 188068.8836 675046.134 746688.3667 818462.4932 344793.0727 332423.7782 425867.8027 891046.2666 2566165.591 717371.1016 1226130.627 347104.4343 937596.8228 343747.3674 165115.7447 286352.5795 1084784.555 1902314.823 1257011.477 2134731.483 2124382.307 1596325.181 1179002.51 2713711.054 1207564.978 2419292.339 955399.2247 1293441.964 1103802.437 2265764.318 1895436.394 4856887.335 925154.9336 1744915.871 1437915.253 896612.3692 325615.8431 281041.8242 709594.398 1303232.954 773981.8115 973814.928 238502.9692 59561.06531 406063.1078 927898.1433 307042.2938 241245.5218 318412.2413 169994.3668 390894.503 101041.7624 114889.9469 318290.9827 548583.5495 844212.8969 117185.164 263135.6166 329024.0165 218634.6474 523752.0148 398411.6647 152690.9351 779717.9176 568483.7815 2211409.64 3220872.149 561862.5486 1795112.557 957345.4269 1504774.327 1046956.541 1410376.162 320717.4569 1095778.055 493119.2071 1044317.988 516125.4359 142349.1719 726995.4332 2252753.295 2119010.424 1080348.638 1005364.904 1103142.449 754773.3569 1929296.764 1173708.73 1983713.27 832968.2413 1454180.197 1300161.921 2229669.565 2307167.34 1334366.023 1442513.646 2631624.623 2257795.72 1297616.656 1286496.803 582749.8913 860814.572 1909064.194 1543938.903 1192351.765 551564.4247 1509825.411 623533.9931 1574497.854 1417238.241 958266.7435 1896692.137 1709245.553 1031108.084 1396463.222 1899978.878 1207337.295 1862199.89 1496383.996 1776983.284 2216436.42 2682244.556 1450088.354 1683670.799 749082.7213 1087960.986 1816535.89 1526619.195 1116289.77 2241342.355 1917843.781 3-Hydroxy-3-Methylglutaryl-Coa NA NA NA NA NA NA 55448.10554 80613.03678 91423.77076 94458.34515 88082.34236 87086.81009 47064.17247 31188.06795 47102.84318 54599.99738 49573.6092 50127.6823 75228.47404 43709.22916 37301.0676 54755.70234 62260.03137 44550.87643 54014.78038 NA 40520.67385 32744.69715 119639.5759 NA 21281.85842 NA 29110.78739 124136.4011 NA 101406.235 10760.67714 103716.9103 17253.15524 NA NA 16298.2495 80846.05531 194183.1543 NA 14877.7555 130476.7867 NA 4200.136865 NA NA 9394.075365 NA NA NA NA NA 20812.05253 28263.48897 NA NA NA NA NA NA NA 6389.869061 NA NA NA NA NA NA 46386.27303 8779.879367 NA NA 68162.67389 29524.45165 NA 24494.87484 121240.8366 34709.42903 77196.00108 NA 56959.66101 48426.0979 NA 1102.169779 74258.85915 NA 48797.24551 NA 6997.519434 NA 53267.9838 9718.510024 NA 27756.40998 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 16962.65292 NA 8482.134114 NA 5320.589715 NA 12209.5559 NA 21169.15653 40578.25733 NA NA 19175.56017 20591.64609 22625.98782 46743.59176 NA 11984.84514 NA 15928.93572 NA NA 18480.70902 NA 107553.4661 19428.89634 59801.82726 129163.3306 NA NA 27554.52723 NA 20575.2051 NA 47818.68842 78055.22628 NA 25957.79108 28270.31527 NA 80315.28237 NA 53700.40547 13500.46234 15193.00423 NA 42164.02126 27240.30684 6584.609741 NA NA NA 6489.76059 18104.51497 16488.66843 NA 40482.65071 75070.59526 NA 17498.81534 NA 42657.13268 NA 11193.2164 NA 52753.17713 NA 8427.948574 17213.53922 NA 7991.315132 11525.09042 NA 32947.61396 Arginine 147257.0166 168032.5162 130421.7462 120022.4904 96667.39929 84982.1929 7827607.604 7291078.147 7973468.403 8309333.442 7218400.405 6948562.497 5713045.959 5052746.912 5633888.421 5782596.656 5665783.816 6544682.986 5944777.092 5514457.828 5413737.646 5411383.102 5369944.543 5247740.728 5274896.389 4387578.416 1758582.281 1059663.034 1008044.154 4645567.611 670692.7874 2084958.691 1047595.192 1378485.939 4117520.662 924042.8967 787162.964 3627317.368 3010082.584 10079624.55 12566989.79 3163166.665 5172636.058 4914023.982 10385904.82 1749646.085 1887979.331 3846826.065 1126705.94 131707.8205 1373939.588 313337.7292 3461207.012 265924.4294 268158.0576 2525727.493 179842.7081 958182.2339 1738967.245 1475478.957 857661.447 1267208.517 1298518.617 2976724.726 7055353.467 1100743.628 1729003.319 1643053.597 7029569.232 907610.0825 404572.5283 476592.9578 9003755.442 2288213.962 1374183.62 6668383.804 6275554.209 1164114.804 1022034.93 12513961.39 4234120.14 5304058.754 2275577.306 3321640.414 3855982.248 1480239.103 1302792.491 5346316.471 1837736.352 4294561.069 6093001.043 2281772.647 1773041.455 330357.9961 2087067.411 3491218.392 2224348.708 4456458.207 593118.8365 57101.40741 606966.0894 3952310.724 335015.2769 618538.3075 1301862.692 464147.3605 417359.2891 54634.62108 43391.79441 156557.7383 337407.8828 2261585.694 184455.7647 612124.5636 2123293.391 224279.6169 859446.854 334295.1155 65368.50475 1669705.312 1873195.699 6461646.778 12056679.74 1966555.068 9613329.869 1584146.156 3855392.37 1144173.298 1215844.685 773920.6981 2679023.907 1219493.606 3427109.558 1565260.229 134797.557 1227400.867 10524499.04 1826413.597 1598518.276 2024093.804 2030577.462 4276295.203 2174076.884 1065589.677 2971014.432 3263200.849 9856332.994 4711926.404 1289665.182 1103700.996 1044458.066 2192663.546 9066532.307 3276426.421 3989694.219 3141538.819 1522308.195 2723324.709 9993644.121 5472624.604 1827838.112 1118259.027 3563434.224 2459089.855 8261529.083 5911726.06 2477991.568 6222772.317 6505579.667 952000.422 1296770.111 3299714.621 1565863.21 5600367.519 1373169.649 2168898.823 2876328.129 3529099.993 1791982.358 5938847.729 1054418.047 1971906.976 4397716.349 3261574.116 2191765.202 8080890.809 3111174.269 Ornithine 556067.3403 828376.2194 382849.8355 241073.3147 232256.0619 154621.9102 11722185.08 10668812.22 12242662.93 13001318.54 11160737.92 10784782.3 8779618.252 7445683.957 8618406.021 8585975.662 8623838.246 9393270.058 8980676.956 8578613.724 8311452.63 8006799.507 7973279.224 7507353.72 7505630.908 7703031.514 6120779.311 5689810.666 9786874.637 13040986.35 7423993.045 8713175.619 5715376.455 7655564.389 5498141.889 5935463.833 4549782.022 6481170.741 6116838.345 9189028.263 8385919.819 5970672.217 7261726.589 9214872.927 8918240.767 3808503.699 7224036.516 7656132.929 4386102.108 646217.1631 2875596.829 1060910.933 3450318.632 370952.3785 302650.0519 6475354.202 785946.1133 4297940.508 2722647.97 4178322.079 880021.3931 2260007.346 3236849.177 6958475.235 8764442.932 2070485.852 2672146.148 2211112.53 4820525.73 2557206.224 736739.5533 884610.6999 7178175.659 13646551.32 12632852.2 20788531.41 9294133.118 9270723.771 7938305.894 10411118.49 13884047.51 10990340.77 4554121.64 4941831.997 4787786.133 7597017.064 7838342.131 16801642.61 4232759.847 5518064.109 4721244.442 7849427.234 2082482.079 1741359.936 3420853.371 8680663.988 6878991.435 6990789.588 2649191.565 376916.9009 1022439.477 2703992.035 1004815.008 461234.4397 889367.1401 459155.0387 975131.8791 274211.4399 204988.1468 306729.8132 647784.4345 2049204.039 627245.4709 1865930.969 2404891.655 877743.8013 1729775.87 1233169.195 214970.0146 4454300.322 2372060.987 8540076.958 9633377.553 1240543.663 8582567.43 5439358.803 5584434.142 5148757.462 4815726.7 1130807.038 3961311.532 1304462.495 3157456.885 1741134.005 308925.4732 3729426.655 11239518.66 11483641 7531564.422 6832389.283 6522226.426 3308940.856 6302402.7 5475132.243 9888087.534 4223151.842 7265274.982 4891123.658 5116121.762 6142919.684 4038164.749 5194486.637 5882756.694 5225479.534 2863066.199 2954994.982 1803418.66 4888714.289 8462541.357 7361086.729 7639346.625 4074651.615 8886001.199 2443157.68 6673065.806 3517126.27 2872445.614 3470732.485 2962536.985 6450769.833 7375583.435 9801378.455 7881134.911 8635179.462 6651116.17 4593459.474 4025859.072 6362167.081 6331055.316 6091054.807 3948748.215 3168317.062 4516331.08 2725999.968 5798332.398 8888816.955 6729843.786 Lysine 179616.0426 209251.3152 132444.3063 155886.5455 106704.9167 93357.82008 13744149.12 12484450.17 14497287.66 15831982.74 13210242.89 12613572.14 9331836.6 7985921.731 9501276.618 9458096.684 9604238.626 10815582.06 10205262.74 9450089.647 9236989.292 8884699.684 8768835.187 8381129.017 8320486.863 6465075.623 4308260.67 3450198.006 8798380.855 12225965.16 5770688.521 6917002.14 4588169.385 6076917.862 7938878.066 5986138.359 3921556.679 7746302.319 6674738.179 10813543.88 17565898.32 7396957.332 10949391.35 10084690.64 14720640.32 3470648.234 7264625.688 10169851.45 4229375.431 283968.3952 2043115.445 728350.6229 3915231.238 245494.134 259902.9468 5097752.493 517376.5722 3202197.394 3268587.061 4471225.819 985480.2803 1702197.484 2405184.527 5535000.644 13979543.61 1855513.353 2653879.453 1878563.332 7401673.267 1575082.825 381523.6798 478090.6263 6720622.06 5534689.642 4930007.901 7628631.561 9692634.964 7030614.457 5499266.187 13446005.59 6214362.113 10193977.71 5012164.997 5845477.545 6443931.821 5344962.946 5442646.435 12909855.26 3471659.215 6004377.732 7101632.166 6073246.069 1465182.943 966679.2835 2401203.769 7376116.322 5388507.987 8679343.86 1909485.17 164704.873 713189.1409 3490516.699 573799.4651 549545.4494 982210.341 360149.9778 734356.1518 129287.4485 125804.2953 212876.6199 427349.2826 2428141.4 376911.7655 1352637.978 2056451.886 425587.0666 958788.6455 748508.7094 190978.4949 5409251.497 2723540.148 9525923.456 12914500.72 1218494.034 11102211.09 4120094.721 5720963.342 4555823.342 4645738.504 1330412.71 4397918.038 952978.5179 4151816.579 1532155.254 202410.5246 3128513.804 11609279.17 8200578.084 5271326.495 4753282.084 4178483.72 4966629.577 6509257.504 4927550.755 9823626.902 4570455.611 9639976.897 6001651.518 5416509.783 6277516.122 3824384.517 4283896.751 9421971.835 5095044.829 7427365.72 6266462.201 2816236.434 4649491.084 12490805 8408632.404 5430526.538 2585289.694 6393006.058 2284792.258 8250463.219 4663280.616 2561111.285 4343929.003 3667682.606 4228469.237 5222685.476 6749971.296 7908630.098 10658337.6 6448862.397 4336580.411 4162008.299 5641471.969 5867587.504 7664133.772 3326113.805 4301160.151 8129121.346 5151774.03 5629972.175 11647294.18 7630281.251 5-Hydroxylysine NA NA NA NA NA NA 50700.69273 46486.73701 59694.90958 59360.42325 52570.09755 46803.04341 31016.07789 27522.56122 33805.1655 30303.80245 35112.70206 32095.76271 33137.91161 34311.41007 33027.50087 29457.65998 27284.12453 29147.00472 28106.7526 26960.35184 22862.03376 11430.89274 15399.20341 30534.84413 NA 18100.65612 8866.935679 15702.15618 19548.17113 14218.818 11317.25375 23158.16295 30652.82148 37640.7935 51647.80374 22469.16576 25684.00258 26188.93802 37497.14111 9456.225989 37700.24709 29558.4797 11300.60812 11276.18499 4241.157345 NA 12534.91903 NA NA 19486.03316 NA 10599.53412 6038.364369 4366.693391 NA 4652.292427 12167.65181 16911.73413 35887.14099 NA NA 15757.84905 19036.73322 NA NA NA 42460.39341 11113.60264 12947.95382 29279.16658 40622.40528 27028.15435 19933.56373 83710.90799 35901.85514 58075.31166 21732.5946 18021.74242 29502.98951 20565.19369 43969.66067 65425.62014 20973.9444 33160.16909 50889.2994 13413.7758 NA NA 14123.11405 26183.45333 23236.50028 21841.275 8375.364079 NA NA 10156.56636 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 14049.05292 NA 21184.5031 29405.5319 NA 24662.82741 6945.118104 11207.5411 26044.62503 15526.33445 NA 13791.5591 NA NA NA NA 8535.89535 32046.86177 29334.15212 19507.34555 21658.94492 15506.72877 8760.762018 26081.57475 22445.6689 40456.04112 9487.903645 13693.70724 12905.06071 20372.47174 26504.12892 17416.12135 20580.93066 40600.61149 14904.83761 23853.68231 14201.18739 3769.660394 10037.095 40195.84062 22969.16957 21630.32847 11714.72353 30970.23646 18925.00853 47766.2499 17859.59073 11740.53277 18409.29838 8577.006152 34129.31228 40933.12474 49098.18888 17095.79562 16761.09896 11070.51881 27943.37641 20980.88447 26935.22724 12979.95947 20732.46161 9024.380674 7675.596688 21073.02295 11378.12925 8884.10485 26935.04562 18043.53524 N,N,N-Trimethyllysine NA NA NA NA NA NA 1245235.294 1043044.793 1404971.01 1563630.481 1146810.838 1030347.803 687983.4183 553350.758 647922.6944 682145.624 633760.081 887972.8494 770558.9659 652853.0115 687778.5849 636655.1215 649336.1571 595369.7402 612215.1817 248822.98 1312819.815 1178615.854 1367152.042 358081.9611 863756.44 229679.1537 829746.5013 1307723.107 275983.6208 1297701.822 682367.9238 1517940.844 1014157.238 497512.7834 636744.4327 1229383.511 1990891.142 958276.765 504990.0225 260437.0658 737105.3272 420511.1953 557776.2823 45458.94537 38992.03516 81530.49778 102813.4398 35570.37249 55988.18172 118473.5543 64909.00335 305531.5481 478438.8498 781889.8876 52163.98552 67102.18861 149726.4609 115339.1116 293160.1032 184512.2876 307420.2598 132909.9699 179928.526 161400.2791 27922.92699 41603.1674 107897.2781 681955.4818 661113.9183 237077.9226 585224.1314 1056765.272 765283.4686 569350.4286 657470.9248 1166159.762 745857.1431 909042.671 181658.6984 780964.6496 784480.1605 644320.7609 344068.3351 682540.3583 232884.7067 1368266.033 54511.43343 219493.1422 69672.89901 570623.1231 375413.5339 200616.1734 211962.5133 42875.88556 132543.3694 86607.47212 108721.3299 71755.32654 54204.45574 46615.65414 61206.69827 37848.50009 33858.60811 50269.8464 64956.23914 51547.88919 54151.79391 101356.0357 47116.24466 83896.52587 39026.45622 141629.2585 53752.88016 677160.8369 69664.0592 1049331.745 1350561.69 28591.76208 216419.841 375230.132 281108.5483 1144058.714 1019703.21 52325.19718 354537.3821 40382.13675 283152.6574 55198.83443 43239.23898 285017.4319 829117.3037 1579683.161 777475.7726 1243887.155 1311991.622 139043.263 267950.2913 526194.3349 308652.5485 669971.3624 332632.2789 951558.9199 1049870.41 252803.5276 622632.7042 463501.8189 375459.0135 590586.9227 178066.2033 676710.2134 301303.5782 842648.3573 298575.7933 1722561.644 687265.2352 309456.6296 242013.5964 255192.0785 227159.442 263573.0576 385313.0158 356620.0618 136868.1626 493404.9075 670871.4881 182979.5009 832689.3608 230142.4014 622745.518 687734.4617 715672.4726 246400.0504 689053.9182 226458.8034 373233.6362 353516.0163 176109.4966 212887.1579 405551.7201 215718.6051 561319.3285 Anserine NA NA NA NA NA NA 14716.14389 16134.62735 20586.03436 18294.34962 19084.77455 17015.75769 17290.80251 17928.21335 13095.22984 15290.08295 7703.213933 18890.42603 11873.0701 13361.90609 11253.46489 14146.43035 11833.11994 13024.2724 17302.88398 7880.101149 12562.37439 21425.16288 23172.14081 9999.892428 11985.9441 9174.250328 11308.69205 15552.39965 12145.60503 24583.99123 13256.52463 18500.12462 11973.91279 11913.4669 21819.54632 11801.02447 12763.38137 22584.44193 20211.09651 8530.568056 26630.53606 11332.07061 14147.61335 6269.692492 11809.5546 10365.35643 14881.96965 9199.595146 8507.471581 7792.32494 6554.465434 9359.363999 9513.764998 12337.74957 11952.12341 9077.972812 13938.01019 18026.35809 31544.98341 15039.59504 17675.7747 11926.46401 6415.542912 10471.04449 6940.383793 12153.942 26844.66987 12896.19356 15926.94903 12238.2746 8966.728073 16685.23947 15649.11321 8876.185801 17417.096 31498.37259 18772.37235 15290.46727 12990.35276 11694.63345 15164.61021 13844.96279 13784.24151 26729.15158 26629.21644 10274.28907 10539.68814 9307.0106 5907.149149 16113.69676 17637.25088 15954.61616 11012.16745 8276.009488 9376.597802 11796.90479 9091.920277 10417.83896 10664.45559 13105.46 13033.99164 5735.827234 12087.8343 10484.63993 10366.75756 6148.440238 7324.987024 8189.927138 8277.087557 7157.928105 8342.514385 11583.14312 9109.066816 100057.2411 11070.40417 13888.55373 22005.95065 11696.02938 7971.207836 21717.22815 12388.67021 8786.304285 18105.1765 12991.07817 25246.57529 16270.24687 35075.40182 8466.158578 9783.014449 8477.096269 9764.234686 21089.39888 9296.396745 14605.29864 23050.18411 6920.699428 12204.9121 12295.96013 10676.05337 13444.09133 9988.486245 13302.84673 14336.87246 10990.34016 13295.81232 10102.93617 11359.94237 9215.821471 7841.653304 20853.32481 10258.58211 10664.97511 12038.6123 11590.49247 16288.28984 11933.0216 12827.89966 15014.39929 9084.16496 12350.23004 21980.14722 17812.2971 11483.36835 13932.48409 14770.26402 9612.187899 12180.44313 15360.83047 19492.66425 9653.822732 9342.931624 7019.246857 16336.52899 10253.61516 9433.631638 14250.80322 10155.28165 14805.55505 8827.329604 17999.91956 12754.69525 Carnosine NA NA NA NA NA NA 557736.9405 444683.3123 567745.5675 625212.3682 482562.3383 472579.6298 313612.1234 296813.5062 308496.7989 337466.0508 330150.7215 435190.3236 341154.9273 347259.2912 344693.7944 320723.1522 347146.5327 323518.8909 297861.2765 76534.0075 550702.377 622637.6857 601671.4372 90396.79771 230906.9913 26272.54355 311748.9729 751305.6712 22586.96602 834669.2844 343611.6681 1098042.702 481006.6179 242908.3891 20479.4975 453604.8189 914486.3533 842849.4356 17145.48381 190530.2782 557431.5828 44570.33225 219013.9116 25695.30842 NA 60565.72664 NA 56804.81504 47127.39273 25490.7603 35030.0882 146109.5588 221055.7841 371330.9711 NA 19480.27668 72184.52849 NA 8568.09061 111387.2036 159040.9635 43489.30917 NA 79249.59704 7373.435511 25745.89456 NA 456343.9531 402082.3458 34755.56972 NA 496559.0946 274545.2816 NA 334030.7587 728626.4753 309901.2503 412600.6687 NA 343131.6927 420394.6259 95160.46554 300571.2165 505583.9956 NA 305351.7491 NA 70487.88909 NA 347271.7037 188394.7769 56982.43594 141593.4418 23217.71798 54978.80827 NA 28701.24853 37739.86103 NA 18975.82812 12090.81595 NA 9800.442867 28884.90038 48827.93681 NA 17832.26893 87966.34405 NA 56953.22185 NA 131846.7597 17895.45937 172546.2852 28621.51482 319349.4437 438051.6696 NA NA 201905.1497 317341.0234 272773.8499 317678.8482 NA 84563.82034 NA 65340.46916 NA 7973.148518 119717.2494 20708.05967 625077.6399 264497.4593 669559.4392 826776.0947 NA 102345.303 251800.233 37125.40206 176861.0047 64214.20497 246288.4577 495768.0976 15358.76032 236635.2635 143970.0863 NA 342879.2927 146385.42 500956.1806 279175.882 143615.7895 11409.5086 265796.8406 304185.7996 143592.8975 17065.25008 91744.58628 NA 134991.7188 165767.2604 203782.4981 NA 378669.7685 690920.694 8988.458059 144222.468 16716.6712 224793.4186 158192.6898 133956.1603 NA 422228.7522 NA 133055.0263 146780.8753 13520.63341 72509.96147 142015.4103 NA 230845.4998 Cys-Gly NA NA NA NA NA NA NA NA 3360.742589 NA NA 3354.515511 NA NA NA NA NA NA NA NA NA NA NA NA NA 28537.73118 NA NA NA 44055.24821 NA 38383.93164 NA NA 45806.51502 NA NA NA NA 33484.73678 32276.28348 NA NA NA 53276.43509 NA NA 41935.22141 NA NA NA NA 12474.02343 NA NA 20571.33047 NA NA NA NA NA NA NA 12162.53429 24139.44631 NA NA NA 9990.347737 NA NA NA 30932.8068 NA NA 32287.62424 25313.59053 NA NA 31992.23046 NA NA NA NA 28587.13506 NA NA 26252.7306 NA NA 16335.57379 NA NA NA 8874.030557 NA NA 54836.09171 NA NA NA 3586.073961 NA NA 5501.492535 NA NA NA NA NA NA 5496.089653 NA NA 14486.63682 NA NA NA NA NA 3883.38172 NA NA NA 44072.46173 NA NA NA NA NA NA NA NA 4681.726066 NA NA 30288.22929 NA NA NA NA 10264.03722 11626.61258 NA 44390.08101 NA 23153.91587 NA NA 51374.73803 NA NA 19734.90081 NA 19200.71544 NA NA NA 34368.26388 NA NA NA 18870.90427 NA 10618.4903 NA NA NA 3962.572094 NA NA 13601.43232 NA 16268.82234 NA NA NA 11271.84993 NA 17371.24157 NA NA 20760.73679 NA NA 20119.33858 NA S-Adenosylmethionine NA NA NA NA NA NA NA 3111.355957 NA 4108.580324 NA 2817.434412 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8682.734903 NA 5697.710686 NA NA 10349.38584 NA 10083.48728 4977.986927 NA NA NA NA NA NA 8929.39627 NA NA NA NA 4573.490533 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 7301.797891 8569.320175 3680.445942 NA NA 6183.619943 7131.86178 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5982.290548 NA NA NA NA NA NA 8179.003891 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4392.565008 9420.796418 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Histidinol NA NA NA NA NA NA 48494.79582 69183.16663 48706.00581 39483.59157 41460.25585 35415.43812 37482.57691 36323.51524 49248.45702 80937.73379 31776.65417 65584.05135 38538.1914 39726.21111 36386.41706 62825.39969 30858.29353 54398.25863 39562.45951 45693.2127 93482.57205 41269.35685 50193.59439 99050.98226 65881.80587 52608.24778 60365.30963 66190.62962 71463.30861 63078.86389 41843.91579 64613.77371 54556.7723 54768.00328 112352.2201 49981.38376 68475.42587 67134.21731 56921.97425 55461.56773 73960.95765 65463.83919 95516.37912 122538.9777 61147.59211 43126.36659 63192.61272 50795.52938 62945.27837 58056.63396 49420.20992 62442.68843 67452.7771 50291.66647 33984.27163 35525.48565 70490.38464 37162.16707 41716.0754 88643.00535 48005.38907 60554.90194 68097.157 44064.17728 63956.68398 50813.89928 63439.30823 57262.38458 56064.16752 49565.38742 55277.58875 65841.8008 66319.46643 82651.11765 50671.3928 78670.6665 43403.53905 56893.59933 71870.49745 63504.93194 82974.52869 67697.80463 48435.5942 65708.82882 54123.44579 46864.70546 105531.1868 76545.9087 49278.17995 34129.26829 64488.31767 60414.08883 59900.15496 54175.90026 52771.90353 77552.86777 55854.97982 37964.12416 52865.66702 75328.90901 64608.32404 50771.02563 67294.53282 73080.28361 51176.09887 63415.40836 70366.15513 31054.97191 60164.24432 58732.19402 68972.26964 112152.2272 43922.96292 65408.36293 67716.71565 55108.25494 72823.52685 94904.07808 48628.21631 39484.6485 44872.33764 107542.3054 61276.49973 83895.00446 53130.69697 61579.57105 49358.80565 72815.95577 62197.67595 65723.11074 48748.64173 71759.71559 72223.45904 83887.77097 50280.58553 66336.09326 106179.6591 45855.18243 72098.32517 57938.1019 60613.26119 90353.83041 84746.56189 43378.25595 64478.97314 72550.48921 62881.72168 63828.41772 99306.68166 90672.97398 65702.11232 69330.89239 103258.6376 54066.17172 94253.85959 48896.84157 75170.77561 65067.99927 79213.23426 65570.52962 49874.64069 57991.57064 59926.69736 40705.96814 50529.53283 92422.79752 50903.91113 80063.43407 94591.50158 74649.35554 90050.3692 64750.04476 75731.69702 69751.10611 63010.47683 54454.11588 45150.7268 60547.87036 71940.93281 42097.7902 46817.38116 Histamine NA 12372.63797 18626.45933 4466.792097 11841.30162 5835.633099 73004.45941 54996.33032 66284.08945 49043.61132 40796.67374 39197.28799 47234.28943 43703.16397 53522.91693 42535.48478 47366.70399 46422.59609 42577.91238 56524.14454 48400.74209 38227.16493 38835.85287 38338.9136 40302.16274 NA 120352.5056 77474.14858 98039.51761 12650.63794 54827.0814 NA 31663.15332 51206.80048 NA 63872.24251 43033.45196 116426.4254 77970.97104 20287.03987 NA 55622.30595 89509.70252 71802.34596 NA 38818.26051 76912.77764 14045.17702 82894.48371 30651.25941 7248.723424 36913.29555 7241.364075 24934.14857 22977.62264 13327.87944 42358.22509 48509.9192 67152.29949 51154.13371 8998.056796 69483.66743 75066.31702 8687.3432 NA 30612.32792 46187.08046 41073.18422 NA 32302.2851 22734.42296 31550.93354 NA 64295.33094 48839.73785 28632.6196 NA 56573.94716 46572.73212 10151.44591 293032.8503 91610.03093 71723.26983 136616.8932 12340.48221 87435.6615 71503.48327 11019.22847 75544.86608 106194.5786 10017.13787 73044.85374 15098.14246 61473.55772 11119.47065 84111.68472 66320.20656 8272.895012 52452.87988 27434.7665 67688.02261 10540.94689 34718.6007 31581.56262 7150.021082 29025.98587 9906.310614 27719.96324 27961.29018 67187.30527 56750.38116 84729.205 26133.14215 188341.7163 55854.52177 12792.05186 6724.949148 10636.83355 26107.71595 47017.08919 9008.621504 52095.22255 68354.42887 7610.111104 7173.104646 39950.54519 63174.84927 56217.86068 35484.66461 8278.514452 43913.46449 9443.892152 48899.05745 NA 29866.13482 43955.65492 9597.546577 66540.19448 50083.37228 52338.22308 54541.95811 7656.307142 47343.97409 54527.15357 8900.793881 49310.37171 13147.80299 70177.95555 89789.79633 10364.98266 51664.3691 31986.22497 NA 47632.24595 NA 27290.10163 23296.25245 65007.57986 7259.658786 73187.14764 61093.25367 50286.53395 12704.30384 18329.14798 NA 39826.95983 32095.01963 65574.7912 23532.17456 67290.87841 62637.04185 15470.70478 23203.16098 6727.008679 26811.295 44455.53814 60691.81376 5668.756774 26827.00842 9145.450375 31578.54735 50838.0256 NA 53126.49643 82842.62042 8857.610396 36776.86241 Putrescine 6856.385539 8589.834794 13059.60821 40051.62464 28342.01263 31633.05925 8299.673927 8519.284014 7343.721006 6659.599848 9489.421801 13654.78594 4791.846064 6792.301991 7089.99412 10214.03988 3937.90233 4574.487546 6974.005643 8738.2296 10428.24384 11527.27317 11848.12612 13533.20622 13382.57909 14911.41971 11581.86484 7942.521399 8864.08367 7729.347815 8017.974193 7796.761735 14008.67463 13657.68954 11427.98903 9194.62019 8792.109413 7392.414938 8750.940217 13337.16533 11146.14001 9368.369489 17403.78062 5450.152207 5783.006956 15244.55913 9186.754141 10214.37782 8978.765472 6956.404785 9948.697427 7133.9519 18516.58974 5685.321175 7180.230528 7336.123736 3854.225503 6303.420913 8299.348044 7089.906107 8031.312208 5484.235161 6882.676439 8792.785544 9413.811849 13289.37518 7794.742673 3387.165364 6982.628301 6117.217983 6956.683849 6660.396967 7060.32463 9696.463232 10052.58446 9068.834901 3387.945063 4523.832818 7409.411314 7416.729629 13563.90866 8073.057665 11144.12014 6325.570338 8865.367956 9544.952828 7110.769963 7376.939936 6545.897846 9519.364857 9013.88309 6648.505424 7264.703182 8428.678669 NA 6353.711984 5999.557229 5522.940019 8435.020063 3978.640893 4789.576981 6910.175152 7037.869145 6514.102689 7743.609007 10955.23686 7980.350103 5948.999303 6739.484393 6741.038877 7238.728662 7657.423633 1690.147323 7089.216228 10285.70446 8147.873041 6938.392878 6153.637581 8683.582917 8043.387881 13999.92052 11112.14203 10852.91408 13836.69694 9478.872687 4267.427557 8308.499756 7818.224429 8431.700732 NA 4088.598861 6835.847 11211.20018 5315.256288 8243.960608 8393.563669 9883.329515 8249.661142 7921.117428 4711.764552 9049.321373 6638.358999 17269.96445 7234.340146 9309.553503 7720.218503 7236.992766 8330.687774 7941.740302 7924.752792 8063.356882 10486.16801 9800.140219 3075.929952 9970.238125 8236.41472 7772.108302 6937.503523 14172.50919 7793.550602 14379.68383 8867.025671 7038.725371 11117.81571 10981.26594 9708.472698 5931.541228 10768.76972 10041.54273 9484.482078 7311.49092 11372.99491 11779.37477 15134.67884 12396.12413 17032.88785 18256.64139 19155.84359 12328.85871 14481.34308 15644.36903 11284.78124 20076.81695 17255.39597 13742.84808 18324.25594 15045.23261 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Mass RT (min) RT (sec) adduct mz CAS ID Mono (5-carboxy-2-ethylpentyl) phthalate (DEHP) C24 H38 O4 390.2773 0.81 48.6 (M+H)+ 391.28512 117-81-7 Mono-isodecyl phthalate C18 H26 O4 306.1836 0.83 49.8 (M+H)+ 307.19142 31047-64-0 Cholesterol C27 H46 O 386.3558 0.85 51 (M+H)+[-H2O] 369.35302 80356-14-5 1-Linoleoylglycerol C21 H38 O4 354.2741 0.86 51.6 (M+Na)+ 377.2639 127961-15-3 1-Arachidonoylglycerol C23 H38 O4 378.2705 0.89 53.4 (M+Na)+ 401.2603 35474-99-8 Dodecanedioic acid C12 H22 O4 230.1519 0.89 53.4 (M+H)+ 231.15972 142610-44-4 Oleamide C18 H35 N O 281.2735 0.9 54 (M+H)+ 282.28132 181057-55-6 3-(2-Hydroxyphenyl)Propanoic acid C9 H10 O3 166.0628 0.93 55.8 (M+H)+[-H2O] 149.06002 495-78-3 Heptyl paraben C14 H20 O3 236.1397 0.93 55.8 (M+H)+ 237.14752 1085-12-7 Mevalolactone C6 H10 O3 130.0628 0.93 55.8 (M+H)+[-H2O] 113.06002 674-26-0 3-hydroxyfluorene C13 H10 O 182.071 0.94 56.4 (M+H)+ 183.07882 6344-67-8 Cortisone C21 H28 O5 360.1934 0.97 58.2 (M+H)+[-H2O] 343.19062 53-06-5 Palmitoyl-EA C18 H37 N O2 299.2815 0.97 58.2 (M+H)+ 300.28932 544-31-0 Sebacic acid C10 H18 O4 202.1206 0.97 58.2 (M+H)+[-H2O] 185.11782 32734-00-2 10-Hydroxydecanoic acid C10 H20 O3 188.1429 0.99 59.4 (M+H)+ 189.15072 1679-53-4 Mono-n-butylphthalate (BzBP, DnBP) C12 H14 O4 222.0894 1.03 61.8 (M+H)+ 223.09722 131-70-4 4-Aminobenzoic acid / Anthranilic acid / Methylpicolinate C7 H7 N O2 137.0476 1.05 63 (M+H)+ 138.05542 150-13-0 / 118-92-3 / 7/6/2459 Lumichrome C12 H10 N4 O2 242.0758 1.06 63.6 (M+Na)+ 265.0656 1086-80-2 Melatonin C13 H16 N2 O2 232.1247 1.07 64.2 (M+Na)+ 255.1145 73-31-4 Cortisol C21 H30 O5 362.2089 1.09 65.4 (M+H)+ 363.21672 50-23-7 Caffeine C8 H10 N4 O2 194.0812 1.14 68.4 (M+H)+ 195.08902 58-08-2 N-Acety-L-Leucine C8 H15 N O3 173.103 1.14 68.4 (M+H)+ 174.11082 1188-21-2 N-Acetylphenylalanine C11 H13 N O3 207.0906 1.16 69.6 (M+Na)+ 230.0804 2018-61-3 4-Hydroxybenzophenone C13 H10 O2 198.0644 1.2 72 (M+H)+[-H2O] 181.06162 1137-42-4 Indole-3-Acetic acid C10 H9 N O2 175.0634 1.2 72 (M+H)+ 176.07122 87-51-4 2-hydroxychrysene C18 H12 O 244.0927 1.21 72.6 (M+H)+ 245.10052 65945-06-4 3-Phenoxybenzoic acid C13 H10 O3 214.0634 1.21 72.6 (M+H)+ 215.07122 3739-38-6 2-Quinolinecarboxylic acid C10 H7 N O2 173.0478 1.27 76.2 (M+H)+ 174.05562 93-10-7 N-Acetylmethionine C7 H13 N O3 S 191.059 1.27 76.2 (M+H)+ 192.06682 1115-47-5 2-Oxobutanoic acid C4 H6 O3 102.0321 1.29 77.4 (M+H)+ 103.03992 600-18-0 Hippuric acid C9 H9 N O3 179.0585 1.3 78 (M+H)+ 180.06632 495-69-2 N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine / N-Acetyl-S-(2-hydroxy-3-butenyl)-L-cysteine C9 H15 N O4 S 233.0734 1.3 78 (M+H)+ 234.08122 1807616-74-5 N-Formyl-L-Methionine C6 H11 N O3 S 177.0459 1.34 80.4 (M+H)+ 178.05372 4289-98-9 Acetaminophen C8 H9 N O2 151.0637 1.39 83.4 (M+H)+ 152.07152 103-90-2 Theobromine /Theophylline/ Paraxanthine C7 H8 N4 O2 180.065 1.43 85.8 (M+H)+ 181.07282 83-67-0 / 611-59-6 Glycochenodeoxycholic acid C26 H43 N O5 449.3151 1.44 86.4 (M+H)+ 450.32292 16564-43-5 N-Acetylproline C7 H11 N O3 157.0742 1.45 87 (M+H)+ 158.08202 68-95-1 N-Acetyltryptophan C13 H14 N2 O3 246.1004 1.47 88.2 (M+H)+ 247.10822 87-32-1 N-Acetylalanine C5 H9 N O3 131.0584 1.51 90.6 (M+H)+ 132.06622 97-69-8 3-Hydroxyanthranilic acid C7 H7 N O3 153.0427 1.52 91.2 (M+H)+ 154.05052 548-93-6 4-Acetamidobutanoic acid C6 H11 N O3 145.0737 1.56 93.6 (M+H)+ 146.08152 3025-96-5 N-Acetylcysteine C5 H9 N O3 S 163.0302 1.61 96.6 (M+H)+[-H2O] 146.02742 616-91-1 Nicotinic acid C6 H5 N O2 123.032 1.78 106.8 (M+H)+ 124.03982 59-67-6 Pantothenic acid C9 H17 N O5 219.1113 1.79 107.4 (M+H)+ 220.11912 137-08-6 Dihydrouracil C4 H6 N2 O2 114.0429 1.8 108 (M+H)+ 115.05072 504-07-4 Biliverdin C33 H34 N4 O6 582.2488 1.96 117.6 (M+H)+ 583.25662 55482-27-4 2-Hydroxypyridine C5 H5 N O 95.0371 2.01 120.6 (M+H)+ 96.04492 142-08-5 N-Acetylglycine C4 H7 N O3 117.0427 2.09 125.4 (M+H)+ 118.05052 543-24-8 Palmitoylcarnitine C23 H45 N O4 399.3363 2.2 132 (M+H)+ 400.34412 6865-14-1 Lauroylcarnitine C19 H37 N O4 343.2722 2.32 139.2 (M+H)+ 344.28002 25518-54-1 Phenylacetylglutamine C13 H16 N2 O4 264.1114 2.35 141 (M+H)+ 265.11922 28047-15-6 Oxoproline C5 H7 N O3 129.0429 2.36 141.6 (M+H)+ 130.05072 4042-36-8 Pyroglutamic acid C5 H7 N O3 129.0429 2.36 141.6 (M+H)+ 130.05072 98-79-3 Octanoylcarnitine C15 H29 N O4 287.2104 2.54 152.4 (M+H)+ 288.21822 14919-35-8 Glycocholic acid C26 H43 N O6 465.3092 2.69 161.4 (M+H)+ 466.31702 475-31-0 Kynurenic acid C10 H7 N O3 189.0426 2.82 169.2 (M+H)+ 190.05042 492-27-3 5-Hydroxyindole-3-Acetic Acid C10 H9 N O3 191.0575 2.98 178.8 (M+Na)+ 214.0473 54-16-0 Nicotinamide C6 H6 N2 O 122.0481 3.39 203.4 (M+H)+ 123.05592 98-92-0 1-Oleoyl Lysophosphatidic acid C21 H41 O7 P 436.2623 3.72 223.2 (M+H)+ 437.27012 22556-62-3 N-Acetylglutamic acid C7 H11 N O5 189.0635 3.75 225 (M+H)+ 190.07132 1188-37-0 N-Acetylserine C5 H9 N O4 147.0531 3.86 231.6 (M+H)+ 148.06092 97-14-3 Taurodeoxycholic acid C26 H45 N O6 S 499.2974 3.99 239.4 (M+H)+ 500.30522 125757-77-9 4-Pyridoxic acid C8 H9 N O4 183.0544 4.01 240.6 (M+H)+ 184.06222 82-82-6 Xanthurenic acid C10 H7 N O4 205.0379 4.03 241.8 (M+H)+ 206.04572 59-00-7 N-Acetylaspartic acid C6 H9 N O5 175.0478 4.05 243 (M+H)+ 176.05562 997-55-7 Ureidopropionic acid C4 H8 N2 O3 132.0542 4.18 250.8 (M+H)+[-H2O] 115.05142 462-88-4 Riboflavin C17 H20 N4 O6 376.1389 4.47 268.2 (M+H)+ 377.14672 83-88-5 Xanthine C5 H4 N4 O2 152.0336 4.57 274.2 (M+H)+ 153.04142 69-89-6 N-Acetylasparagine C6 H10 N2 O4 174.0641 4.61 276.6 (M+H)+ 175.07192 4033-40-3 Uridine C9 H12 N2 O6 244.0695 4.65 279 (M+H)+ 245.07732 58-96-8 2-Deoxyinosine C10 H12 N4 O4 252.0871 4.77 286.2 (M+H)+ 253.09492 890-38-0 Glucuronolactone C6 H8 O6 176.0309 4.77 286.2 (M+H)+[-H2O] 159.02812 32449-92-6 Hypoxanthine C5 H4 N4 O 136.039 4.78 286.8 (M+H)+ 137.04682 68-94-0 Succinic acid C4 H6 O4 118.0281 4.78 286.8 (M+H)+ 119.03592 110-15-6 1-Methyluric acid C6 H6 N4 O3 182.0473 4.88 292.8 (M+H)+ 183.05512 708-79-2 Citric acid C6 H8 O7 192.0271 5.03 301.8 (M+H)+[-H2O] 175.02432 77-92-9 Docosahexaenoyl PAF C-16 C46 H82 N O7 P 791.5875 5.05 303 (M+H)+ 792.59532 22055-22-7 Eicosapentaenoyl PAF C-16 C44 H80 N O7 P 765.5693 5.06 303.6 (M+H)+ 766.57712 132196-28-2 Arachidonoyl PAF C-16 C44 H82 N O7 P 767.5833 5.12 307.2 (M+H)+ 768.59112 86288-11-1 Thioetheramide-PC C40 H83 N2 O5 P S 734.5776 5.19 311.4 (M+H)+ 735.58542 116457-99-9 Methylthioadenosine C11 H15 N5 O3 S 297.09 5.35 321 (M+H)+ 298.09782 2457-80-9 Inosine C10 H12 N4 O5 268.0815 5.37 322.2 (M+H)+ 269.08932 58-63-9 O-Acetylcarnitine C9 H17 N O4 203.1164 5.41 324.6 (M+H)+ 204.12422 5080-50-2 Xanthosine C10 H12 N4 O6 284.0762 5.45 327 (M+H)+ 285.08402 5968-90-1 POV-PC C29 H56 N O9 P 593.3703 5.57 334.2 (M+H)+ 594.37812 121324-31-0 PAF C-18 / Butanoyl-PAF C28 H58 N O7 P 551.3969 5.62 337.2 (M+H)+ 552.40472 74389-69-8 / 85405-03-4 Didecanoyl-Glycerophosphocholine C28 H56 N O8 P 565.3733 5.65 339 (M+H)+[-H2O] 548.37052 3436-44-0 5'-Deoxyadenosine C10 H13 N5 O3 251.1032 5.67 340.2 (M+H)+ 252.11102 4754-39-6 PAF C-16 C26 H54 N O7 P 523.3659 5.67 340.2 (M+H)+ 524.37372 65154-06-5 3-Nitro-L-Tyrosine C9 H10 N2 O5 226.0589 5.68 340.8 (M+H)+ 227.06672 621-44-3 LysoPC(16:0) C24 H50 N O7 P 495.3346 5.72 343.2 (M+H)+ 496.34242 14863-27-5 2-O-ethyl PAF C-16 C26 H56 N O6 P 509.3826 5.76 345.6 (M+H)+ 510.39042 78858-42-1 Cotinine C10 H12 N2 O 176.0962 5.96 357.6 (M+H)+ 177.10402 486-56-6 Uric acid C5 H4 N4 O3 168.0286 5.97 358.2 (M+H)+ 169.03642 69-93-2 N-Acetylglucosamine/ N-Acetylgalactosamine/ N-Acetylmannosamine C8 H15 N O6 221.0921 5.98 358.8 (M+H)+[-H2O] 204.08932 7512-17-6 / 1136-42-1 / 7772-94-3 2-Aminophenol C6 H7 N O 109.0529 6.01 360.6 (M+H)+ 110.06072 95-55-6 Glutarylcarnitine C12 H21 N O6 275.1387 6.07 364.2 (M+H)+ 276.14652 102636-82-8 Allantoin C4 H6 N4 O3 158.0443 6.1 366 (M+H)+ 159.05212 97-59-6 Deoxyadenosine C10 H13 N5 O3 251.1001 6.12 367.2 (M+Na)+ 274.0899 16373-93-6 Phenylalanine C9 H11 N O2 165.0797 6.15 369 (M+H)+ 166.08752 63-91-2 S-Hexyl-Glutathione C16 H29 N3 O6 S 391.1758 6.15 369 (M+H)+ 392.18362 24425-56-7 Kynurenine C10 H12 N2 O3 208.0849 6.25 375 (M+H)+ 209.09272 343-65-7 Leucine/Norleucine C6 H13 N O2 131.0952 6.25 375 (M+H)+ 132.10302 328-39-2 / 327-57-1 Biopterin C9 H11 N5 O3 237.0872 6.34 380.4 (M+H)+ 238.09502 36183-24-1 Isoleucine C6 H13 N O2 131.0952 6.36 381.6 (M+H)+ 132.10302 73-32-5 Tryptophan C11 H12 N2 O2 204.0905 6.38 382.8 (M+H)+ 205.09832 73-22-3 Guanosine C10 H13 N5 O5 283.0921 6.41 384.6 (M+H)+ 284.09992 118-00-3 N-Acetylneuraminic acid C11 H19 N O9 309.1066 6.48 388.8 (M+H)+ 310.11442 131-48-6 2-Phosphoglyceric acid C3 H7 O7 P 185.9929 6.57 394.2 (M+H)+ 187.00072 2553-59-5 Gluconic acid C6 H12 O7 196.0565 6.6 396 (M+H)+[-H2O] 179.05372 526-95-4 Galactitol C6 H14 O6 182.0791 6.62 397.2 (M+H)+ 183.08692 608-66-2 2-Deoxy-D-Glucose C6 H12 O5 164.0685 6.66 399.6 (M+H)+ 165.07632 154-17-6 Dihydrobiopterin C9 H13 N5 O3 239.102 6.68 400.8 (M+Na)+ 262.0918 6779-87-9 Adenosine C10 H13 N5 O4 267.0966 6.7 402 (M+H)+ 268.10442 58-61-7 Malic acid C4 H6 O5 134.0182 6.7 402 (M+H)+ 135.02602 97-67-6 Methionine C5 H11 N O2 S 149.0514 6.71 402.6 (M+H)+ 150.05922 63-68-3 Deoxycarnitine C7 H15 N O2 145.1106 6.81 408.6 (M+H)+ 146.11842 6249-56-5 Methyl 4-Aminobutyric acid C5 H11 N O2 117.0795 6.91 414.6 (M+H)+ 118.08732 13031-60-2 Urocanic acid C6 H6 N2 O2 138.0431 6.92 415.2 (M+H)+ 139.05092 104-98-3 Trimethylamine-N-oxide C3 H9 N O 75.0686 6.93 415.8 (M+H)+ 76.07642 Inosine Monophosphate C10 H13 N4 O8 P 348.0463 6.98 418.8 (M+H)+ 349.05412 131-99-7 Trans-3-hydroxycotinine C10 H12 N2 O2 192.0904 6.98 418.8 (M+H)+ 193.09822 205246-48-6 Phenylglycine C8 H9 N O2 151.0638 7.03 421.8 (M+H)+ 152.07162 2935-35-5 Trigonelline C7 H7 N O2 137.0476 7.06 423.6 (M+H)+ 138.05542 6138-41-6 Betaine/L-Valine/Norvaline C5 H11 N O2 117.0795 7.13 427.8 (M+H)+ 118.08732 107-43-7 3-Sulfinoalanine C3 H7 N O4 S 153.0096 7.17 430.2 (M+H)+ 154.01742 207121-48-0 7-Methylguanine C6 H7 N5 O 165.0654 7.19 431.4 (M+H)+ 166.07322 578-76-7 Pipecolic acid C6 H11 N O2 129.0791 7.19 431.4 (M+H)+ 130.08692 535-75-1 Phosphocreatine C4 H10 N3 O5 P 211.036 7.24 434.4 (M+H)+ 212.04382 19333-65-4 Glucose C6 H12 O6 180.061 7.26 435.6 (M+H)+[-H2O] 163.05822 2280-44-6 Cysteic acid C3 H7 N O5 S 169.0046 7.31 438.6 (M+H)+ 170.01242 23537-25-9 Homocysteine C4 H9 N O2 S 135.0355 7.31 438.6 (M+H)+ 136.04332 454-29-5 Proline C5 H9 N O2 115.0638 7.35 441 (M+H)+ 116.07162 147-85-3 Hydroxykynurenine C10 H12 N2 O4 224.0808 7.37 442.2 (M+H)+ 225.08862 2147-61-7 O-Acetylserine C5 H9 N O4 147.0528 7.4 444 (M+H)+ 148.06062 66638-22-0 Adenine C5 H5 N5 135.0542 7.41 444.6 (M+H)+ 136.06202 73-24-5 Beta-alanine methyl ester C4 H9 N O2 103.0635 7.41 444.6 (M+H)+ 104.07132 3196-73-4 Guanine C5 H5 N5 O 151.0492 7.41 444.6 (M+H)+ 152.05702 73-40-5 N-Methylglutamic acid C6 H11 N O4 161.0678 7.47 448.2 (M+H)+ 162.07562 6753-62-4 Taurine C2 H7 N O3 S 125.015 7.5 450 (M+H)+ 126.02282 107-35-7 Aminocaproic acid C6 H13 N O2 131.0966 7.52 451.2 (M+Na)+[-H2O] 136.0758 60-32-2 4-Hydroxy-4-(3-pyridyl) butanoic acid C9 H11 N O3 181.0745 7.53 451.8 (M+H)+ 182.08232 15569-97-8 Hydroxybenzaldehyde C7 H6 O2 122.0368 7.53 451.8 (M+H)+ 123.04462 100-83-4 Sorbic acid C6 H8 O2 112.0531 7.53 451.8 (M+H)+[-H2O] 95.05032 24634-61-5 Tryptophanamide C11 H13 N3 O 203.106 7.53 451.8 (M+H)+[-H2O] 186.10322 5022-65-1 Tyrosine C9 H11 N O3 181.0745 7.53 451.8 (M+H)+ 182.08232 60-18-4 4-Guanidinobutanoic acid C5 H11 N3 O2 145.0842 7.55 453 (M+H)+ 146.09202 463-00-3 O-Succinyl-Homoserine C8 H13 N O6 219.0754 7.6 456 (M+H)+ 220.08322 1492-23-5 AICAR C9 H15 N4 O8 P 338.0621 7.68 460.8 (M+H)+ 339.06992 3031-94-5 Sucrose / Trehalose C12 H22 O11 342.1194 7.7 462 (M+Na)+ 365.1092 57-50-1 / 6138-23-4 Dimethylglycine C4 H9 N O2 103.0636 7.72 463.2 (M+H)+ 104.07142 1118-68-9 Ophthalmic acid C11 H19 N3 O6 289.1278 7.78 466.8 (M+H)+ 290.13562 495-27-2 Cysteine C3 H7 N O2 S 121.0195 7.81 468.6 (M+H)+ 122.02732 52-90-4 Lactose C12 H22 O11 342.1177 7.85 471 (M+Na)+ 365.1075 63-42-3 2-Aminoisobutyric acid / Gamma-aminobutyric acid C4 H9 N O2 103.0636 7.89 473.4 (M+H)+ 104.07142 62-57-7 / 56-12-2 Glutathione Reduced C10 H17 N3 O6 S 307.0841 7.91 474.6 (M+H)+ 308.09192 70-18-8 Hypotaurine C2 H7 N O2 S 109.0195 7.93 475.8 (M+H)+ 110.02732 300-84-5 Carnitine C7 H15 N O3 161.1058 7.95 477 (M+H)+ 162.11362 6645-46-1 2-Aminothiazoline-4-carboxylic acid C4 H6 N2 O2 S 146.0149 7.97 478.2 (M+H)+ 147.02272 2150-55-2 trans-4-hrdroxy-L-proline C5 H9 N O3 131.0598 7.97 478.2 (M+H)+ 132.06762 51-35-4 Creatine C4 H9 N3 O2 131.0699 8.03 481.8 (M+H)+ 132.07772 57-00-1 Aminoadipic acid C6 H11 N O4 161.0689 8.05 483 (M+H)+ 162.07672 542-32-5 4-Imidazoleacetic acid C5 H6 N2 O2 126.0423 8.12 487.2 (M+H)+ 127.05012 3251-69-2 Creatinine C4 H7 N3 O 113.0595 8.16 489.6 (M+H)+ 114.06732 60-27-5 Trimethylamine C3 H9 N 59.0736 8.2 492 (M+H)+ 60.08142 593-81-7 Choline C5 H14 N O 104.1079 8.21 492.6 M+ 104.1079 123-41-1 Raffinose C18 H32 O16 504.1694 8.22 493.2 (M+H)+ 505.17722 17629-30-0 AMP C10 H14 N5 O7 P 347.0631 8.24 494.4 (M+H)+ 348.07092 4578-31-8 Deoxyguanosine-Monophosphate C10 H14 N5 O7 P 347.0635 8.24 494.4 (M+H)+ 348.07132 902-04-5 Alanine C3 H7 N O2 89.0481 8.25 495 (M+H)+ 90.05592 56-41-7 Sarcosine C3 H7 N O2 89.0481 8.25 495 (M+H)+ 90.05592 107-97-1 1-Aminocyclopropanecarboxylic acid C4 H7 N O2 101.0479 8.33 499.8 (M+H)+ 102.05572 22059-21-8 Glutamic Acid C5 H9 N O4 147.0536 8.33 499.8 (M+H)+ 148.06142 56-86-0 N-Methyl-D-aspartic acid C5 H9 N O4 147.0536 8.33 499.8 (M+H)+ 148.06142 6384-92-5 Aspartic Acid C4 H7 N O4 133.0371 8.4 504 (M+H)+ 134.04492 56-84-8 5-aminolevulinic acid C5 H9 N O3 131.0576 8.41 504.6 (M+H)+ 132.06542 02/09/5451 cis-4-hydroxy-D-proline C5 H9 N O3 131.0577 8.42 505.2 (M+H)+ 132.06552 2584-71-6 Homocysteine Thiolactone C4 H7 N O S 117.0273 8.42 505.2 (M+H)+ 118.03512 31828-68-9 5-Hydroxytryptophan C11 H12 N2 O3 220.092 8.43 505.8 (M+H)+[-H2O] 203.08922 08/09/4350 Serotonin C10 H12 N2 O 176.0976 8.43 505.8 (M+Na)+ 199.0874 61-47-2 4-Hydroxy-L-Phenylglycine C8 H9 N O3 167.0579 8.44 506.4 (M+H)+[-H2O] 150.05512 32462-30-9 Dopa C9 H11 N O4 197.0688 8.44 506.4 (M+H)+ 198.07662 59-92-7 Normetanephrine C9 H13 N O3 183.091 8.44 506.4 (M+H)+[-H2O] 166.08822 1011-74-1 Allothreonine/L-Threonine/ Homoserine C4 H9 N O3 119.0559 8.46 507.6 (M+H)+ 120.06372 28954-12-3 / 672-15-1 Nicotinamide Mononucleotide C11 H15 N2 O8 P 334.0591 8.54 512.4 (M+H)+[-H2O] 317.05632 1094-61-7 Cytidine 2',3'-Cyclic Phosphate C9 H12 N3 O7 P 305.0415 8.56 513.6 (M+H)+ 306.04932 15718-51-1 Stachyose C24 H42 O21 666.2221 8.61 516.6 (M+H)+ 667.22992 54261-98-2 1-Methyladenosine C11 H15 N5 O4 281.1136 8.62 517.2 (M+H)+ 282.12142 15763-06-1 Glutamine C5 H10 N2 O3 146.0696 8.7 522 (M+H)+ 147.07742 56-85-9 1-Methylnicotinamide C7 H9 N2 O 137.0713 8.72 523.2 M+ 137.0713 1005-24-9 N-Alpha-Acetyllysine C8 H16 N2 O3 188.1107 8.74 524.4 (M+H)+ 189.11852 1946-82-3 Pro-Gly C7 H12 N2 O3 172.0851 8.76 525.6 (M+H)+ 173.09292 2578-57-6 Ethanolamine phosphate C2 H8 N O4 P 141.0195 8.85 531 (M+H)+ 142.02732 1071-23-4 Glycine C2 H5 N O2 75.0323 8.86 531.6 (M+H)+ 76.04012 56-40-6 Asparagine C4 H8 N2 O3 132.054 8.87 532.2 (M+H)+ 133.06182 70-47-3 N-Acetylputrescine C6 H14 N2 O 130.1104 8.87 532.2 (M+H)+ 131.11822 18233-70-0 Beta-Nicotinamide Adenine Dinucleotide C21 H27 N7 O14 P2 663.1096 8.89 533.4 (M+H)+ 664.11742 53-84-9 Guanidinosuccinic acid C5 H9 N3 O4 175.0593 8.89 533.4 (M+H)+ 176.06712 6133-30-8 Guanidinoacetic acid C3 H7 N3 O2 117.054 8.9 534 (M+H)+ 118.06182 352-97-6 Octopamine C8 H11 N O2 153.0778 8.9 534 (M+Na)+ 176.0676 104-14-3 Serine C3 H7 N O3 105.043 8.9 534 (M+H)+ 106.05082 56-45-1 5-Methylcytosine C5 H7 N3 O 125.0597 8.92 535.2 (M+H)+[-H2O] 108.05692 58366-64-6 Cytidine Monophosphate C9 H14 N3 O8 P 323.0523 9.01 540.6 (M+H)+ 324.06012 63-37-6 Beta-Alanine C3 H7 N O2 89.0477 9.04 542.4 (M+H)+ 90.05552 107-95-9 Citrulline C6 H13 N3 O3 175.0962 9.12 547.2 (M+H)+ 176.10402 372-75-8 Cytosine C4 H5 N3 O 111.0432 9.14 548.4 (M+H)+ 112.05102 71-30-7 Diethanolamine C4 H11 N O2 105.079 9.37 562.2 (M+H)+ 106.08682 111-42-2 Glucosaminic acid C6 H13 N O6 195.0751 9.39 563.4 (M+H)+[-H2O] 178.07232 3646-68-2 Phosphorylcholine C5 H14 N O4 P 183.0659 9.85 591 (M+Na)+ 206.0557 72556-74-2 Citicoline C14 H26 N4 O11 P2 488.1077 10.43 625.8 (M+H)+ 489.11552 33818-15-4 Cystine C6 H12 N2 O4 S2 240.0239 10.51 630.6 (M+H)+ 241.03172 56-89-3 S-Adenosylhomocysteine C14 H20 N6 O5 S 384.1225 10.72 643.2 (M+H)+ 385.13032 979-92-0 Cystathionine C7 H14 N2 O4 S 222.0682 10.81 648.6 (M+H)+ 223.07602 56-88-2 Galactosamine / Mannosamine C6 H13 N O5 179.0798 10.97 658.2 (M+H)+ 180.08762 90-76-6 / 5505-63-5 Glucosamine C6 H13 N O5 179.0798 11.17 670.2 (M+H)+[-H2O] 162.07702 3416-24-8 Diaminopimelic acid C7 H14 N2 O4 190.0962 11.27 676.2 (M+H)+ 191.10402 583-93-7 Asymmetrical dimethylarginine C8 H18 N4 O2 202.1432 12.05 723 (M+H)+ 203.15102 30315-93-6 Histidine C6 H9 N3 O2 155.07 12.27 736.2 (M+H)+ 156.07782 5934-29-2 1-Methyl-L-Histidine C7 H11 N3 O2 169.0852 12.32 739.2 (M+H)+ 170.09302 332-80-9 3-Hydroxy-3-Methylglutaryl-Coa C27 H44 N7 O20 P3 S 911.1671 12.54 752.4 (M+Na)+ 934.1569 103476-21-7 Arginine C6 H14 N4 O2 174.1116 12.94 776.4 (M+H)+ 175.11942 1119-34-2 Ornithine C5 H12 N2 O2 132.0892 12.97 778.2 (M+H)+ 133.09702 3184-13-2 Lysine C6 H14 N2 O2 146.106 13.02 781.2 (M+H)+ 147.11382 56-87-1 5-Hydroxylysine C6 H14 N2 O3 162.1005 13.21 792.6 (M+H)+ 163.10832 13204-98-3 N,N,N-Trimethyllysine C9 H20 N2 O2 188.1523 13.35 801 (M+H)+ 189.16012 55528-53-5 Anserine C10 H16 N4 O3 240.1208 13.73 823.8 (M+H)+ 241.12862 10030-52-1 Carnosine C9 H14 N4 O3 226.1072 14.05 843 (M+H)+ 227.11502 305-84-0 Cys-Gly C5 H10 N2 O3 S 178.0422 15.15 909 (M+H)+ 179.05002 19246-18-5 S-Adenosylmethionine C15 H22 N6 O5 S 398.1378 15.32 919.2 (M+H)+ 399.14562 17176-17-9 Histidinol C6 H11 N3 O 141.09 15.95 957 (M+H)+[-H2O] 124.08722 1596-64-1 Histamine C5 H9 N3 111.0794 16.12 967.2 (M+H)+ 112.08722 56-92-8 Putrescine C4 H12 N2 88.1006 16.62 997.2 (M+H)+ 89.10842 110-60-1 METABOLITES_END #END