#METABOLOMICS WORKBENCH SinaiMetabolomics_20230122_125919 DATATRACK_ID:3696 STUDY_ID:ST002459 ANALYSIS_ID:AN004012 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 Reverse-phase negative CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME Agilent ZORBAX Eclipse Plus C18 (50 x 2.1mm,1.8um) CH:SOLVENT_A 0.1% formic acid in water CH:SOLVENT_B 0.1% formic acid in (90:10, v/v) 2-propanol:ACN CH:FLOW_GRADIENT 5% B for 2 min, increasing to 30% B in 2 min, and increasing from 30% to 98% B CH:FLOW_GRADIENT in 9.5 min with a 1.5 min hold CH:FLOW_RATE 0.400 mL/min flow rate CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Full mass spectra were acquired at 1.67 spectra/s in the range 40–1200 MS:MS_COMMENTS m/z.arameters 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 4-(Methlynitrosamino)-1-(3-pyridyl)-1-butanol NA NA NA NA NA NA 46153.21745 45311.93635 57141.62025 44977.57723 63550.5419 42724.88235 40689.97647 46705.67431 45690.77205 44075.46399 34296.42053 47393.14514 38598.17116 37656.93822 42029.2812 41519.87241 44600.31121 43315.27749 50189.29282 36176.40225 37947.31902 60219.88816 32928.92232 35377.7885 38983.57551 48675.91548 66924.64936 37088.79596 43568.89993 40640.05888 70479.58617 41877.26045 56198.76661 78278.1324 42514.86403 61079.78579 38124.02544 43069.76972 42763.28854 181699.4096 37011.29584 31772.33682 69972.61216 59557.57259 38158.29119 40575.80421 46040.35131 57259.61816 78339.33155 39705.92506 35111.52489 63736.5989 37000.90513 68175.46406 29067.4599 37728.28787 57180.51877 38978.52051 29026.18473 66714.47305 41917.22748 31280.45277 26701.56154 86011.39769 152578.4338 36511.31448 26407.82552 30025.8867 46124.05392 40334.61306 23067.1041 44900.68196 61502.62055 42160.04017 41259.772 40706.95489 56616.80621 34343.86973 33810.30113 29387.56304 48645.43985 35432.94984 55813.63734 37326.96255 25621.35677 34058.21448 26238.5673 88591.7767 31963.00989 32622.41583 71160.08891 41206.39196 27509.51845 75171.61059 26101.89595 23624.70162 46558.03709 36761.95559 52124.02185 97014.82429 35137.36654 49080.30079 21376.39334 30188.61283 41828.6711 32809.95831 128333.1499 24318.60628 36153.83445 39696.79287 23791.12989 26684.61283 28321.02108 40874.39189 38602.97391 68731.30017 30157.20118 25470.54153 30742.95869 68333.42534 93849.65313 39285.9914 31110.45905 30548.18205 49144.23325 33739.42945 29063.7776 24658.00183 28797.84032 47413.22324 31481.16758 45403.13992 50477.39638 47576.48196 29192.84429 65591.4809 39276.71774 52440.11941 40338.59835 39059.69745 25894.08281 24923.9103 33275.77484 27701.13603 44790.97092 58374.00018 35455.74021 33680.81406 23938.61334 39847.08956 59406.70648 45540.61827 33868.73407 38919.10849 27408.92202 53570.1984 33122.90613 42944.01296 33148.2058 33480.47766 82160.51428 34442.87493 41918.53165 39879.975 31416.29563 26484.79459 44019.3886 37043.7393 30605.16213 44815.15366 31842.48014 31428.47892 36824.07175 36921.39862 42822.15656 39584.76028 41366.58372 35095.02506 56360.63207 44086.72877 39342.11408 Diethylphosphate (DEP) 25398.1536 19911.32827 34003.87702 29895.69913 18245.34996 21724.65162 86475.63734 101618.9446 103642.7538 107609.8211 107463.6305 112928.9199 111705.146 115922.2082 124774.8838 117875.7288 110506.9466 126563.4579 114132.3413 126361.6477 127873.8979 131730.3065 129983.7008 136412.3944 130146.6567 105079.7791 102233.6788 84694.53005 58139.39247 85261.00273 58938.67441 76562.78588 54167.78248 75380.74821 107419.3617 73173.48759 80076.10966 89467.13012 82909.21067 99951.39739 131071.6911 82684.80022 102733.6429 110989.6341 104120.4084 79925.12199 92839.80086 122394.7862 92801.59285 82781.86281 121511.9808 99239.26353 80928.78756 74395.39937 61601.2069 160384.3826 120014.8042 98990.28996 113396.5345 102227.7603 149402.3408 83144.67949 61913.12402 82370.14466 193775.2969 132305.0395 135764.2002 111289.4047 126024.9007 110342.4397 30728.081 26971.56119 32696.40195 86657.85686 72363.04855 100944.6532 70674.40118 63886.18016 55110.81691 154366.8238 81108.16444 108346.4786 88865.54794 116190.628 121443.9925 85905.95662 73983.60642 115460.5914 112754.6957 134571.3197 157939.343 129224.0952 168660.8605 109963.6354 140926.6255 121403.178 93543.00278 136770.8615 54110.42414 100541.4605 105587.8591 123372.9048 77892.83558 75240.42015 98590.60884 54264.93187 118551.6122 84058.3547 51374.96339 60588.22743 52839.47291 77184.67536 45601.68125 42318.82566 63367.3568 83308.00449 168075.9385 74905.19523 64550.348 68718.02244 130956.6063 67754.95325 64346.07016 91393.71511 126821.0071 103937.3852 99513.4139 112797.9376 126119.9055 42431.80785 90177.17596 104390.6579 87833.753 96466.59385 89983.0368 74442.31001 143838.5694 126132.8067 102984.5182 28074.11217 25005.94761 100764.6665 94050.30487 74934.84067 95991.39925 137596.2211 75537.62593 126790.849 19693.23013 14126.94736 17960.28894 67837.47295 76478.23904 73958.76644 75898.00332 60467.02689 59926.05176 95519.99865 128604.8592 115479.4174 133089.8367 115783.1822 156598.2915 68149.50427 70344.57083 62972.55883 121306.7401 195475.7803 204951.4448 110231.8079 128280.6418 193193.1218 77030.1581 99542.50511 67749.02493 103661.0341 120378.1378 132944.2928 168584.5367 195271.34 133210.8801 75602.91489 90768.62876 86769.386 74747.66591 101688.6542 80115.96718 Ethyl sulfate 497764.3708 738970.3157 737915.7149 263209.818 459610.6808 450370.3436 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3464.053017 NA 3346.22969 NA NA NA NA NA NA NA NA NA NA NA 3316.106273 NA NA NA 4224.744846 NA 5806.813543 NA NA NA 3805.183351 3266.149197 NA NA NA 3695.406407 NA NA NA NA 3994.158997 NA NA NA 3749.494748 NA NA NA 3009.519496 NA NA NA 3796.551982 NA NA NA NA 5799.05345 NA NA NA 182740.5512 NA NA NA NA NA NA NA NA NA 3478.134753 16975.79742 NA NA NA NA NA NA NA NA NA NA NA NA NA 7770.992497 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6097.021306 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3060.45126 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3339.26356 NA NA NA NA NA NA NA NA 3554.767761 NA NA NA NA NA NA NA NA Dimethylphosphate (DMP) NA NA NA NA NA NA 26255.63481 20860.95107 29638.3907 37736.60459 33847.33195 33835.00458 35524.7647 33836.32451 39235.84879 35687.15379 40778.78652 41469.51545 46827.9907 48228.93739 44004.84031 45714.41912 49404.46328 46354.3459 48104.4535 21110.1807 30762.05685 25850.02678 61459.24155 45851.34951 69231.90267 42271.84959 58007.15543 45899.49514 23397.95501 40191.85611 56484.00763 15464.9577 10454.5243 16355.11425 19868.09119 37484.74644 34475.46624 32244.97675 18833.97542 42659.12887 47497.05733 31695.49695 48184.50212 48710.08454 38927.90263 58507.47544 22378.20821 31577.29901 26441.73932 40098.81805 60563.50569 60188.26418 30156.3013 27886.99453 23225.18465 17467.01916 25241.01144 19002.05523 20256.0555 25741.34829 21426.80593 27889.60393 17525.88914 23780.49594 35185.04572 22640.07842 23239.94793 54952.92815 41328.84541 42650.60107 20273.51609 15094.00255 25656.11541 25343.23619 37916.61613 42804.54265 40215.20604 46835.21196 31749.45504 66058.56339 72344.2821 50689.67721 37618.79425 42627.74893 24997.15666 41026.52215 29657.81526 29307.76508 21968.79419 31989.83855 38762.31792 22606.34864 10282.90704 25029.81001 39430.36123 22140.38455 27104.84259 43334.78449 27337.31255 22989.14716 61146.35532 76458.59999 50822.90666 16820.32896 18014.42315 18645.92211 42556.48142 46646.11964 35810.1219 97572.92301 65392.81686 76619.26048 15062.51719 20793.15193 40483.81248 13730.24593 17079.15132 7883.6739 23375.0256 34195.46485 30745.66606 66654.97312 66873.12046 40890.8989 35806.67953 28984.43112 36534.85276 30230.72397 46640.03008 47712.66723 24093.07081 17768.90968 20435.10292 55627.60913 62458.97215 15158.04219 37505.53996 47800.11487 31436.84705 40399.59656 52907.77142 46893.78342 59863.40013 54515.88751 57743.94759 12369.50592 10365.3499 12108.77664 40796.98921 45421.43938 38748.2557 27752.20366 23950.992 34387.85937 92120.28756 73487.04936 79925.12629 35597.07554 25377.95902 34544.56214 40055.14874 28714.48392 23284.82293 84182.48238 66530.03974 61005.58213 53402.02431 38725.81959 46220.20335 47622.65198 50279.64531 33511.40293 28231.26171 19848.88388 36900.62285 38850.00138 27166.09388 25821.71751 39989.4405 28087.30787 32908.15694 Ethyl glucuronide 25277.80174 70695.06158 10945.85019 11380.23266 40086.40966 6617.359494 330471.181 296116.8657 319208.8997 294479.581 393176.3451 288818.3427 289704.2602 300042.304 269027.3854 295851.3169 226899.8204 270770.7454 235145.421 226392.4164 279502.0697 261394.3934 279186.0041 263829.1652 307056.5167 107343.7017 157461.6364 125966.7837 518131.4498 753441.0577 418697.0042 600096.9039 404558.7871 531561.5198 NA 582554.0358 432326.6986 65934.85705 46680.43809 15884.82111 181206.7546 143230.5487 225026.5652 265304.289 316756.8338 204823.1697 747504.7635 181555.6836 451012.1633 445599.7386 819527.2884 621695.3722 544416.8281 358201.6674 406111.9064 1122426.787 872423.4709 822816.4765 324267.311 229807.0065 295696.1393 169743.572 131060.7948 320408.6724 253472.8732 172358.5635 223701.9979 224750.9586 192502.0188 170865.9263 130938.7108 156644.6534 152307.263 318688.2096 283127.87 353586.4424 14139.48508 71124.7874 47201.35496 359030.5619 135338.2256 301886.7377 237049.143 325545.096 NA 841639.7134 654671.0014 1187105.951 172396.1034 261082.8827 221052.7307 219289.6032 NA 140972.3664 188797.0313 190263.0052 117930.6094 18831.16971 16655.91093 55487.81229 260990.7995 288541.3255 197643.0613 356060.3126 377104.5495 261303.8418 649550.4595 478061.0358 NA 50722.22436 31400.3239 8538.277707 189780.4872 273967.8508 397381.8746 169102.5468 354367.5611 183760.1705 39192.02789 47437.83428 24089.63997 49256.48006 62483.34326 NA NA 158257.9086 229449.1806 292882.75 354472.6481 NA 90710.9909 NA 119322.0235 414195.6387 302702.2117 266852.9499 9342.142558 52990.33801 56293.04505 282976.9077 358703.6651 99515.928 199664.388 176592.0254 236447.1696 257133.5679 NA 275027.8684 154677.9715 55588.67116 153336.2929 42015.60242 NA 72578.20957 NA 107777.6565 88671.75972 47119.23076 8409.604659 69635.42772 260163.1496 283969.037 318279.9762 125050.7592 NA 188395.1117 109247.1449 171062.3749 152844.0858 567522.2054 741986.4302 NA NA 480429.2695 415142.6318 125781.9873 219221.316 NA 237946.8952 237479.9519 140892.6384 144275.2811 187435.6201 124640.0287 204242.6769 NA 239601.4968 Malic acid 28265.35157 41449.16506 6188.400356 12713.02484 26528.44198 3506.481666 42382.44471 42615.63608 43476.73034 41626.57455 45373.62563 37580.50531 39812.18214 40081.41173 30551.02363 42659.14049 33924.62261 39108.18621 34519.45685 37275.09586 40943.5681 37871.51482 38967.92905 39063.38168 36339.29624 11346.26237 86023.62018 74794.33048 61386.95932 16139.60778 69314.13825 19176.34989 78860.65566 72902.22733 16869.13813 83643.09843 84504.73637 92555.42293 65116.89172 17056.97322 12005.77126 70940.16265 75769.74404 77871.23448 9411.602121 85762.5687 58488.53279 9966.165721 68778.54416 91425.6524 17781.32441 97939.20202 15879.6573 72432.43904 77557.45604 18957.35431 83539.83702 99597.22928 99862.66011 76347.10278 16120.53768 70051.64173 57552.56582 15128.28945 8912.359289 58202.05601 82551.15099 74837.3344 13252.25669 55017.62402 57148.73391 39392.92386 12127.79211 56499.72719 66276.61425 11025.46397 14676.88239 78368.30107 66682.93957 10571.95142 54905.42723 83124.91208 86277.83636 84297.15748 15082.39914 117061.3454 97002.4808 16185.37592 72396.65138 78232.82099 11360.91009 90961.61355 6583.654852 50562.00485 11321.53004 79141.02778 74515.501 12442.12668 17334.53716 62521.14028 74531.2068 21028.2397 37201.18281 78684.29109 13657.12863 23383.92771 14359.9576 72728.10266 23934.46314 65493.42461 44685.28916 11693.33081 80979.55801 50602.07116 14493.09456 63759.9256 14734.55141 48510.79996 41245.05771 61181.0428 12045.92054 62352.77871 256366.1101 12939.94747 8813.704288 57259.15388 57266.92458 83085.60673 79891.71819 11987.56167 66751.78674 7058.729471 68484.44797 11847.71943 56749.56662 60348.91341 10638.33961 61601.82528 83105.99971 79676.6934 89191.31663 22567.52403 36218.68998 77958.5305 13917.0553 82129.09181 10069.75031 92415.89208 101673.6884 14275.73982 84452.83019 54486.7263 10155.62704 64260.08386 13499.78423 76893.00324 70059.80093 61147.91236 9178.198196 66177.09455 68691.07783 68787.98423 12589.50702 62056.96492 8278.863736 54355.62631 58686.54788 46017.6539 10030.92116 79679.64966 89786.51318 17305.16265 55387.55906 11333.44562 65966.59457 73514.01742 83814.94872 13216.10387 59261.8565 16814.74724 53165.03228 55586.75228 10492.14481 43742.04733 51034.96382 14780.63714 61714.76585 3-Hydroxybutyric acid 138116.665 78599.80331 13757.09261 60509.29552 55045.50393 12508.86566 253600.4478 234188.1278 271294.7083 263869.2259 296186.5798 259600.4551 277419.0129 268540.7451 257445.6076 273905.8438 229106.7594 255725.2964 233937.4995 227964.5144 240925.0491 235033.6189 249986.7472 226374.5024 285470.3857 288087.019 317183.879 280159.6027 251116.0058 189900.5699 235205.1811 265318.4935 245361.271 334307.0616 150258.6883 217190.2991 217863.3557 358594.4913 313626.2987 231482.2153 179575.5482 267116.6913 314658.4723 225829.1051 159404.0862 240167.9316 454438.4526 328413.6778 350743.4946 203935.9174 168841.1003 199005.9542 206359.7999 270523.8384 243139.3824 149504.5129 202416.7363 206146.8621 263238.2908 271238.0394 212214.0415 319307.2503 308011.4667 305164.6745 152549.1622 207081.3038 176935.8188 358790.1334 234208.5671 304271.0854 159603.0946 92525.8177 77031.81869 234422.7885 182973.7345 144701.8722 341313.1681 380090.346 339482.6756 308496.8301 243939.4827 351630.9545 239687.464 223976.8942 147642.9806 312083.2443 285966.612 248017.8399 352685.076 352936.6372 336736.8742 283557.6204 247057.9548 196799.1171 179313.3093 218952.1901 249020.6873 160432.3198 71702.18456 247268.3415 208516.8703 197711.3141 154591.1742 193831.6887 189351.4195 87945.82209 165967.2847 186728.1401 68792.15265 245644.7894 235801.0733 302732.5297 138052.6666 146741.5752 105781.5185 119295.2205 149741.2896 97361.15564 186559.0891 259727.4013 273723.5822 232611.1289 206947.1623 181781.1516 104217.7544 178269.5617 200390.5904 158285.4466 173121.9664 72267.67358 226660.2603 139835.1995 149806.2169 185173.0049 229443.4662 243538.4271 169385.0801 303639.3016 298671.2619 285164.571 254134.3196 245096.893 215940.4174 250923.5191 155809.1059 221636.9673 356459.0394 204620.9791 356881.9543 322080.0007 331602.9506 256909.4984 157625.4035 241755.2115 151985.8294 246159.2446 212232.5684 280308.165 292612.2131 339647.7736 233570.6297 224966.9196 236742.6942 207612.2516 200117.8271 241713.1594 229970.6408 251562.3682 212898.9679 209648.4669 181467.2088 140521.376 256024.9152 241272.9261 251189.2351 247487.9256 269459.6714 178560.9901 230759.6921 148027.3428 202265.7971 243894.1354 221757.8792 267403.8069 242861.3287 204643.4793 257912.4481 Oxoadipic acid 31487.54893 232958.547 6206.406941 19034.56859 137387.4224 NA 31876.04131 34253.67311 36735.34501 29920.24467 37447.98925 33304.63356 30873.03403 36988.45435 32190.52777 34344.09113 30044.67222 32059.11489 33103.96085 26641.24374 29097.87455 37365.80459 31751.84037 27227.32707 38368.00889 6268.298044 93997.21025 37003.7996 56145.81289 7162.106874 30128.51887 2432.34613 34945.34303 43472.98196 5915.048695 76925.45593 35085.06191 86483.91718 36785.87427 5235.073921 9232.578168 38893.45234 73671.05605 77573.44195 8117.505411 27269.57144 67879.12484 6178.582944 42834.1171 38854.13547 11659.45626 63852.78212 10782.73374 43965.73789 100674.5604 NA 55141.21629 31039.14697 96456.26847 37541.00256 10954.57019 74550.86676 NA 9324.137287 4290.212543 37408.60598 88215.2523 114506.3942 9944.816631 29634.79481 22567.95591 35037.41229 9285.722077 63843.98667 28988.84977 5800.422068 17347.80282 97792.74442 40135.15046 6432.262146 39301.62376 76570.45631 31506.3282 60837.8618 4957.207648 75910.9335 36000.85243 11402.47717 NA 100173.6738 9604.797233 98458.95519 4130.887263 28466.33419 10110.38388 80187.38437 43434.82196 3393.000778 24765.15354 37918.43401 72502.17205 10718.44618 NA 81163.05122 10530.25166 18128.09345 6365.011812 38231.58559 26988.03238 84226.00997 25903.09198 8270.392189 20027.41289 58015.1233 6063.118625 23137.77127 4567.128158 38966.68611 49520.88913 40234.40186 NA 43600.60212 85654.20855 20069.5642 6008.893661 NA 55690.24485 29721.74384 58447.24847 5062.717156 42779.63412 4512.311571 81434.93857 7664.779955 63167.26372 40142.54031 4756.576344 77752.59621 45166.98459 39442.24428 73045.41276 10833.69786 40915.83817 33648.31278 7263.831619 52332.46999 NA 84576.56369 67871.6157 10786.56143 33936.97244 35071.42176 14807.31214 111061.8711 4140.930401 66951.80864 34276.77998 43742.48454 5726.49496 69781.39548 53084.17178 36741.60645 NA 49588.99896 11543.66506 57607.62068 36245.16761 58399.77705 6640.619323 41397.15954 85145.74405 4079.99331 33265.4288 3847.151056 75757.51339 39883.16157 85787.01646 9039.348151 85084.35467 7026.646848 32077.86542 41564.58688 6032.593751 79327.52202 40855.6703 15407.35507 82938.79526 Oxoglutaric acid 14663.63747 254207.7134 3841.093 4655.008366 124490.5487 NA 1106025.994 1055337.262 1007891.577 1049344.514 1230755.996 972955.3715 1014273.683 1139052.616 1045322.99 1041772.022 944118.8102 1009380.504 994228.3423 984015.0176 926921.5795 1129014.652 1137508.17 1094478.478 1181317.841 1005845.505 1411077.28 808857.4379 991628.6268 1030081.157 730461.2542 1447765.261 999916.1952 1267849.029 1182093.057 1038163.93 621632.4814 1412514.21 994819.6901 1004013.248 934121.9391 550892.1596 928040.4955 1157019.268 1077502.879 851563.1341 1195987.182 1098454.438 681366.666 1024475.131 1676187.967 1420246.235 1226915.016 968397.7037 1340687.008 996143.1778 929657.6071 632499.7759 1163032.272 635768.2403 894009.4401 1403353.126 743520.8981 1100178.075 772947.0061 522871.9594 882710.482 1508081.417 1348695.629 801489.6574 731367.3714 596278.496 808452.2429 1009472.402 728258.9815 726080.7087 1048352.714 1340749.535 809144.5382 936119.1203 319686.2451 1167979.727 842561.2934 1142787.174 872067.9088 1050437.901 743190.2609 793762.6265 763708.3535 1265185.181 1344426.497 1381375.162 893768.0054 444482.114 760058.5186 952078.1018 513472.251 841383.124 156200.5965 722854.8278 1011517.769 1364246.369 299059.7774 1186293.001 1329898.651 266796.9071 1102318.368 805209.5515 257676.9323 944476.0694 922635.2996 1044257.472 495621.2325 879774.9057 1296744.09 397239.7923 1165216.25 506477.7933 440240.6956 780694.8353 768589.9363 620465.0999 970337.9526 1620077.364 1167588.789 882419.9533 1210246.724 753700.1993 1131371.685 743539.7892 799240.7192 614097.5336 1102239.084 1053126.799 852112.2566 941991.8868 838972.9341 1095144.792 787315.9666 357440.6277 739160.2565 1298510.199 841633.6017 631468.3033 1084708.379 777393.6428 568192.579 917794.4319 1071936.125 958906.0291 773614.8052 717672.2744 1026840.642 1053770.395 848866.1022 1094432.494 652081.159 852136.8015 923628.2041 1280629.838 1015454.963 1055515.706 765110.4607 239260.3762 1062750.222 858528.4455 490657.7877 1187047.639 938303.4661 635218.2579 1065145.612 1082440.436 870702.1444 919477.236 1145224.18 556097.6545 1373960.866 1059955.681 1161965.423 956076.8942 780333.1782 913236.0734 1080497.831 1187529.464 1152060.227 1139145.893 1236286.367 2-Hydroxybutyric acid 16964.88333 20659.38785 8753.988544 10249.69994 19109.06669 8040.048845 143223.7615 141195.4228 159504.6766 161718.2632 174100.3312 161211.5512 166786.8381 153348.7236 163046.3981 163429.333 143965.2401 147224.0283 154905.1662 141373.8194 161647.0906 147773.3138 160948.1861 151547.035 159686.2551 227184.4202 200648.2671 158661.3732 88567.59236 63646.70938 62032.1515 246950.4466 142522.0427 257517.4682 81222.10095 109774.9574 69891.52472 206079.9756 137142.9822 170064.3277 143933.2577 104588.1464 163234.4742 105108.1445 87352.063 70674.02157 353885.9402 276586.6711 196072.6231 53942.45992 83270.5988 78573.18387 124056.5018 103898.7257 87519.25462 106336.9522 109345.2238 77959.74511 136098.5452 98693.83386 172295.436 216901.3958 139510.2159 225680.0781 85871.27169 57624.38056 77610.10884 250810.1094 190732.7472 168508.4238 33865.13157 37685.68647 28673.47865 111672.2872 66776.80278 89891.01193 155543.3332 168588.4021 128968.025 236660.2411 148486.4072 216331.1365 76673.51499 94809.93677 94523.74305 114386.0358 99815.05011 127471.2617 195488.9695 268211.3885 272574.6686 145792.2531 150869.9881 82251.10638 72360.97352 86141.9911 52349.02966 101582.3169 42728.69665 75251.5028 103847.728 96376.85243 59741.04182 82206.67414 115505.1882 45695.038 88173.46194 56743.67582 46992.03061 161831.5453 128109.3537 258429.0011 52449.58293 62787.17728 70564.94732 46532.79596 71850.93208 45036.25398 120937.8723 108624.8463 228808.6813 87055.42405 126823.7342 96172.66168 79899.3767 60722.68533 89565.39403 50430.62897 83925.81727 37612.50438 70720.27041 98620.19457 73819.46852 165473.5056 172647.7014 121160.1121 122782.976 152167.7463 115945.1344 124200.7504 133023.0482 160653.2739 110517.2712 78836.01683 90561.90849 62916.63757 279611.2726 78537.46328 189688.2084 227422.4601 154364.3532 75264.57529 86039.66833 101552.7956 94072.83053 114541.6782 73353.54335 117632.3678 197431.2799 174011.4006 186146.6836 141546.429 191497.3041 87940.89807 127370.6296 151157.1505 90773.43367 148058.9097 167040.9686 78243.84673 86118.7398 109586.7004 119815.7125 166010.1817 156138.5068 96886.10689 113895.6796 108705.8056 95074.65578 92180.32293 60672.2503 123954.7155 165274.3032 164929.7464 82203.26049 126000.8027 120503.6572 3-hydroxyanthranilic acid NA NA NA NA NA NA 19160.65054 16919.60103 23383.59464 22135.62168 22790.56291 23674.83322 15966.44875 16609.01122 19165.72893 15636.73984 13606.97425 18889.01471 17807.69113 14442.31934 18133.88035 14438.06656 20755.79772 14858.11158 17564.68694 3370.559674 35407.57652 36198.69618 13310.02904 3490.185284 17549.61334 4917.634845 47405.05355 20560.501 2132.253683 17822.05475 24591.35294 25852.79318 34010.58022 5245.989842 2306.802672 19744.83682 12877.9221 13337.97397 2913.295874 14793.90857 17891.91653 4907.346805 53780.19753 54702.9609 3621.402912 23743.96516 2972.48789 70338.70876 31517.42874 NA 13239.3821 21299.09603 32641.14663 42243.56524 2122.844785 27033.0839 34521.69147 2813.937367 2170.525912 49941.94339 58285.66957 18959.91794 2065.22865 26188.58379 11234.39764 6856.41791 1113.590843 10723.55228 13618.20889 3721.41212 2024.650001 12398.85303 16571.64402 5125.57774 29259.80576 13168.19816 31205.44372 35983.01779 2350.305385 15615.64862 19959.10416 NA 28859.72329 25325.92117 1450.23617 37452.39888 NA 51813.63575 2757.373598 37830.26616 31636.27883 NA 7828.431397 13397.47907 26474.82562 1208.804821 37500.13391 29821.10681 2649.583669 43547.06755 2730.396488 74774.62893 19065.65609 26621.09975 22307.87306 2170.744482 11456.14882 7639.479074 2608.593308 26182.70857 3217.749709 29964.94142 14278.92208 30087.48189 4621.211449 35188.25459 31726.47399 2732.262379 1574.947248 10811.81142 6040.183642 15038.4257 11637.81583 1525.003288 32410.09597 2420.408522 31172.23859 1740.955563 21796.80812 23934.56823 4931.143208 11903.92056 15847.11054 49974.94453 22091.81983 3191.83149 5464.350976 21170.38839 3173.425124 110026.6551 6377.74489 90521.12816 35484.85972 3534.730969 33687.29541 12322.75282 4442.232777 8461.439427 2498.277106 33339.17577 30085.60865 13956.33504 2409.780312 15650.29482 6688.657829 8233.91922 NA 64789.76436 1553.497831 25590.81703 37351.90369 12258.15163 2348.678769 19423.87388 14187.13718 NA 33041.89872 4059.004655 7822.423758 79504.06703 62199.36855 1941.743093 8849.242273 NA 29837.88713 45355.50183 5888.570455 9661.061475 10332.58422 3758.342021 10113.66737 4-methylcatechol 3938.503204 12447.68886 NA 1408.212826 14514.0535 NA NA 4493.223954 4256.162901 NA 7294.110538 6096.162525 4942.888566 NA NA 6043.268128 5063.512098 NA 4576.004473 NA 7304.063932 NA NA 6795.154262 5775.284383 NA NA NA NA NA 3016.38519 NA 4832.990026 10081.56342 NA NA 4468.741705 10273.86783 6253.494593 NA NA 5418.676222 9098.058311 NA NA 8315.985664 NA NA 5530.626666 NA NA 6845.323962 NA 6606.102579 7594.344977 NA 7551.702846 NA 7310.101741 5396.409138 NA 6740.718766 4752.737388 NA NA NA 6290.37808 8541.282128 1036.729784 3778.391644 3703.139073 NA 1180.187158 8876.364937 4905.657182 NA NA 7652.696984 5026.673963 NA NA NA NA 4357.108315 NA 8270.367321 6514.428185 4989.349531 5300.521423 8138.146349 NA 8028.515538 NA 5466.737919 NA 5288.206992 4763.465197 1142.793608 2806.410567 3905.873477 4389.063784 NA 4343.148811 6789.92409 NA NA NA 5833.614911 3499.535135 5108.875141 NA NA NA NA NA 3025.21526 NA 6333.16963 4884.224334 5699.04932 NA NA 6501.895086 NA NA 4088.993703 NA NA 6429.835698 NA NA NA 5665.755648 NA NA NA NA 7755.54105 5340.630347 5189.744085 5025.194689 NA NA 3535.065763 1367.98504 6201.633645 NA 9403.885927 NA 2322.12991 NA 4414.572499 NA 4942.331721 NA 5426.141845 4296.50175 NA NA 7846.185752 5070.410621 3590.520596 899.0111342 NA NA 9586.835651 NA 5114.369889 NA 3240.279675 6461.496387 NA NA NA 7346.550727 4903.510662 9927.657693 NA 8148.211401 NA 4736.702297 4967.035168 NA 6247.674991 5935.369988 NA 7340.974599 Diethylthiophosphate (DETP) NA NA NA NA NA NA NA NA NA NA NA NA NA 2109.449049 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2141.906481 NA NA NA NA NA 4199.447409 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1999.636776 NA NA NA NA NA NA NA NA NA NA 2502.2733 NA NA NA NA NA NA NA NA NA NA 3802.848158 1217.347704 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2079.927443 NA NA NA NA 733.8998592 NA NA NA 974.3637459 NA NA NA NA NA 2284.304412 NA NA NA NA 3927.310937 NA NA NA NA 3075.306507 NA 3209.618295 NA NA NA 1755.546243 NA NA NA NA 4397.543242 NA 3734.379225 NA NA NA 2232.973095 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1759.171966 NA NA NA NA NA NA NA NA NA 2379.38392 Homogentisic acid 8946.7813 22128.14867 2188.371916 3462.453044 17955.27656 818.126947 5434.909397 8401.533165 5734.461618 NA 12475.28537 5091.31428 NA 8666.127824 NA NA NA 6959.728587 7673.881134 4965.842179 4571.232059 7862.150314 NA 7506.41392 8220.79194 3576.122839 9155.314592 3342.099901 9958.281973 NA 7336.197088 NA NA 5622.632054 NA 9113.205844 3081.421451 10690.97251 NA 2816.336009 NA 2926.67157 7883.409981 9937.839506 NA 5335.422553 12529.41403 NA 5525.190734 4825.525947 NA 8138.922395 NA 5517.658109 7663.224261 NA 9378.85608 7358.396526 9619.623516 3123.385344 NA 7918.917903 NA NA 2485.318672 NA 7208.14553 9286.314948 NA NA NA 4245.531942 1707.045414 10011.04615 NA NA NA 9883.608391 6327.962457 NA 6517.232948 9950.286345 4682.801287 11716.52958 NA 10602.5981 NA NA 3566.205082 11499.17707 NA 11135.85493 NA 3159.106328 1586.388147 9483.545445 3766.17864 NA 1820.784767 6720.573778 7254.685941 NA NA 4877.17342 NA NA NA 5778.039684 NA 5268.246604 1700.373864 NA 4114.614793 5851.85996 NA 4702.353012 NA 4393.843844 1969.108343 2724.416767 NA 5074.898758 10636.09282 NA NA 2137.204958 10770.4184 NA 5384.72044 NA 4694.656785 NA 9601.299309 NA 8637.787428 5508.391394 NA 9902.463017 5653.834163 NA 8442.110245 4555.451349 11136.34618 5715.018501 NA 4266.04487 NA 9505.696121 8072.327654 NA 3717.687234 4016.485593 NA 7894.3748 2776.013283 10960.19157 NA 5065.493707 NA 7095.66216 7099.893517 4190.550006 NA NA NA 6825.429062 5721.179572 12902.60131 NA NA NA NA 5558.98633 NA 7151.420049 NA 14157.48307 NA 10199.53254 NA NA 5622.753969 NA 10743.5976 5323.637176 NA NA Itaconic acid / 2-Methylmaleic acid NA 9374.63698 2815.125882 3448.438234 6608.95787 2284.480724 10059.50743 8624.813578 7078.189629 6135.35748 10693.12704 12208.53142 7387.649939 8435.65833 7117.705051 9273.256127 6711.400075 7892.676192 8426.72587 8234.196904 7663.872647 8191.696282 6744.073577 7505.705938 9449.124388 4339.893823 8362.864176 5768.086781 12806.43705 10144.94976 8170.899306 5063.788927 7537.830754 7019.09143 3677.168871 8948.231776 9902.483658 11453.79916 7316.948219 4556.897218 3709.920875 7611.237008 11024.5224 9902.361827 5766.386183 8146.022965 11108.63042 5671.70671 7979.913456 5711.832176 7900.675281 8147.200875 3532.277267 5553.793708 7014.940653 4767.577572 14089.04316 5887.617961 5980.513078 3687.795068 2656.677121 4204.505748 3964.521184 4218.279515 2099.945332 6851.434907 6365.30431 7626.632425 2344.665404 6441.057071 2994.818141 3863.763713 3429.803456 8168.395124 7775.12042 7209.791452 6430.231646 13374.26368 12780.19 3743.589094 20341.24632 7984.783162 4093.61665 12063.71619 5186.957669 8955.477593 9107.243002 11626.4261 5776.735065 8825.346088 4964.856552 10424.42695 2377.79613 3166.601832 5815.675402 8354.40127 6319.338265 4834.295985 2650.387109 6331.533627 9739.131529 6230.711393 3787.417268 6482.336269 8069.419542 4504.662495 6054.320541 6962.57335 3608.783726 5541.898961 3529.819441 4230.247363 5491.559713 9508.812795 4112.698328 4022.482578 8867.904062 4920.40578 4739.234044 6228.530716 7958.772496 5079.448699 10299.8735 5111.729996 4556.269115 3541.181035 6096.45572 8278.015759 8381.227141 2503.495135 5465.779142 3710.153656 8198.397803 2913.160294 6787.636374 5758.456574 3601.000301 11025.09872 8551.718307 8368.967912 8763.723168 4195.367346 6121.521238 10261.30634 4851.761507 10960.48951 6523.488203 7441.472625 15618.56337 11628.4412 10711.5109 5464.17639 4096.097126 8641.500148 3423.978262 9155.33013 7672.006349 7342.073977 10043.26391 12699.29634 6603.858593 5413.367693 5760.247486 5343.034304 4466.037593 6452.693714 7612.338749 10160.07985 8767.216242 8412.743701 9229.498136 8754.055235 7252.198665 6353.289435 9208.036197 8002.812334 12332.08115 4489.936912 5629.611981 4214.549336 6682.259104 5918.798578 3607.120872 5271.362802 4684.245134 5913.86665 6902.189149 N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine NA NA 6571.009518 NA NA 2490.772567 NA NA NA 23822.82696 27734.25812 20266.56992 23828.38387 NA 21848.31444 NA NA 22466.96553 NA NA NA NA NA 20328.29691 NA 26035.56977 13615.44142 14907.88288 NA 16643.39865 NA 17945.50843 NA NA 27761.16465 NA 16307.9734 NA NA 27587.17546 30103.24094 NA 19646.44713 35299.53244 37248.39927 21114.72633 NA NA NA NA 31841.09451 14109.88533 32382.19592 18475.11469 17435.33707 NA NA 18465.25009 NA NA 24395.38812 NA 19187.08951 28576.60655 NA NA 19582.23566 NA 18718.36445 14895.57257 NA NA NA 14982.46241 16864.24925 22019.82887 20047.43218 27089.77415 NA NA 20045.28395 NA 16838.83651 NA 29427.09894 16429.55094 NA 23379.39209 NA NA 24619.44971 NA 20627.68731 NA 30675.8992 20900.06834 NA 23511.74066 NA 15796.33878 NA 22268.0888 14295.89608 NA 25750.59761 NA 19325.32597 NA NA NA 12259.63247 20939.7201 NA 19129.42308 28414.69709 NA 23431.67489 NA 16002.71243 10982.23855 22273.0819 16065.76937 NA NA 24070.50666 NA NA 16111.83935 NA NA NA 29067.16765 18029.88327 19150.21255 17944.52238 NA 27820.7057 NA NA NA NA 22483.68873 23704.92901 NA NA NA NA NA 14199.01509 16556.29223 NA NA 25900.5046 NA NA 17772.81858 16537.01916 NA NA NA 13387.00169 NA NA NA 25303.02129 NA NA NA 27588.16694 19332.8411 NA 18192.17905 NA 22540.39294 NA 11207.68083 NA 23982.29268 NA 22675.87328 NA NA 22688.21502 NA NA 30244.29076 23474.51022 Phenylglyoxylic acid 7961.967047 9969.888825 5392.390471 4213.49548 9587.354487 4633.01999 5340.731328 4270.638441 5613.491926 6181.112373 7941.189231 6177.617711 5247.998427 7269.25138 5308.756765 6745.70288 3820.957951 4941.20394 5554.278257 4812.969582 6389.25848 4886.252736 6911.000023 5419.920957 5397.699246 5430.878249 2978.863608 2068.881158 4822.601643 4877.619906 3761.022731 5551.736429 3082.219084 5070.978516 4249.295551 3868.803435 3482.412736 4689.836702 3429.300148 4006.635437 3903.237707 2317.879194 3432.006422 6231.028098 6437.318995 2772.324661 5617.445595 5548.385502 3535.672693 2713.524136 7517.604763 4887.120547 4593.007012 3746.44609 3078.386382 7615.101867 4315.103665 4524.521887 5304.521708 1823.705234 4290.832573 4114.184562 3338.495823 5661.566499 6593.906032 4172.172499 2752.201396 3420.205089 1780.488586 1593.986297 2307.551855 3510.340597 1982.950718 6256.695067 2828.66036 8069.357383 4168.913435 5779.19175 3659.730909 9901.653861 3902.072858 8042.917149 3406.689375 3810.441406 2650.507744 6841.839175 5831.008554 23057.89323 3921.593059 4807.228273 4583.0997 3994.120732 5807.23494 2453.963928 6463.359162 5900.129542 2350.675331 4625.621401 3262.573687 4644.631024 4292.639527 2879.921933 2180.644968 2297.798 5545.812488 4012.308817 5835.54366 2507.729501 1201.916108 2101.038128 1161.48119 3885.663896 2519.939258 2401.015592 4114.419917 3999.172471 8492.116399 3102.972638 2254.09532 4536.414008 7583.369697 1659.070174 3425.724391 3052.3431 3183.67777 2590.55532 3044.221717 3609.01231 2299.183319 2878.841908 3490.611553 4542.798871 3295.289005 1855.154346 2274.911243 2538.491493 5293.970729 4285.536707 4387.622389 2604.187025 2017.502079 4247.466519 6066.252007 1247.803357 4362.630788 3115.602139 7747.181033 3553.208396 3241.817035 3963.847158 1817.398474 3812.828089 4553.52076 4819.685121 5129.749451 3930.292942 3120.012907 2130.187656 5387.067371 4206.998099 1490.800919 2197.492852 4063.405213 2807.575035 7302.336608 8787.507302 2823.986723 6227.049398 5917.177912 2408.765634 1484.668925 8733.226666 3490.731764 5335.367919 4236.787227 3678.237034 3490.618485 7798.487783 2908.246903 3748.416327 1134.670452 2843.600536 3520.577499 4689.278525 3338.011848 5686.274518 3825.05601 trans,trans -Muconic acid 1860.525727 42379.52094 NA NA 29235.69648 NA NA 2051.296479 2770.722278 NA NA 1949.364078 3887.792103 1956.218229 NA NA 2482.733029 3520.33538 3045.575278 3094.65131 2231.410205 3966.616546 4130.185844 NA 3416.225788 NA 23096.11143 NA 14277.05092 NA NA NA 2509.886247 9678.691411 NA NA NA 21619.11875 5600.656141 NA NA NA 6167.541341 4970.145161 2576.918561 NA 10295.2902 NA NA 1026.599264 1877.83593 7094.579811 NA 2292.216207 NA 1948.080511 15856.95306 1730.690912 NA NA NA 7647.0285 NA NA NA 5570.976548 12526.59469 11221.23164 NA NA 1011.07537 1574.199306 NA 7671.423668 NA 686.3535676 NA NA 2535.105827 1211.151283 2459.848668 17707.76525 1785.543749 5605.201638 NA 4685.631913 2262.623398 NA NA 17843.82859 NA 13856.04925 NA NA NA 13042.41509 2549.174713 NA 2529.738416 NA NA NA NA NA NA NA NA NA NA 10584.75454 NA NA NA NA NA NA 2344.02708 6218.138155 3320.639038 NA NA NA 3277.183103 1793.294277 NA NA NA NA 13640.37115 NA NA NA 2908.401892 NA 15404.62907 NA NA 12416.61791 2699.513903 NA 19218.95746 NA 6144.305996 NA NA NA NA NA 9852.28115 NA 2793.305683 NA NA 12566.34667 NA 11553.28558 2509.649949 2840.60868 NA 12349.23583 NA NA NA NA NA 7194.51128 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4938.508597 3-Methoxy-4-Hydroxymandelic 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 5813.743161 15666.98862 NA NA 5873.732321 NA 4832.98239 5459.229014 14685.72647 5349.365731 16374.56859 NA 19454.08348 NA 7536.162965 5345.00553 3233.472999 10668.79687 17832.58263 8866.595536 8147.807562 18944.9309 7451.15888 NA NA NA 14145.25353 10178.33069 4019.151427 13781.4504 5785.529051 15407.2177 NA 13573.81213 NA 3826.739815 NA 9806.824864 8500.229771 6016.347302 6327.933316 13928.83539 15059.97209 3880.258015 NA NA 8432.350218 3786.752009 13740.48077 5907.232127 6055.57787 5141.582214 18447.34208 NA 13064.26378 10976.44843 17423.71728 NA 12812.525 9157.128229 NA NA 22038.50287 6329.691661 15061.14357 5797.791616 14107.14061 6126.640474 3838.865289 5471.140803 15276.72086 4224.525983 4649.401769 4312.064291 3275.027935 11480.01551 6898.562956 NA 9140.469548 NA NA 5663.563024 NA NA 10752.60317 2769.066633 4014.635054 NA 8920.325757 6966.429109 NA 5057.857187 8206.504399 NA 5514.355294 5816.474612 5242.273979 18334.41572 7499.262317 7430.890557 2914.761177 12483.2865 5949.148787 15863.74821 4136.024108 7649.331347 8304.62094 10757.92967 6223.901855 NA 5618.693356 6452.698169 21658.92851 7544.538776 NA 12807.2482 4296.220167 13768.73735 NA 7378.513389 3329.905751 12300.27661 18189.63664 9790.082944 NA 3793.728419 2358.755915 7904.239632 NA 6769.038538 15102.32212 6840.375563 5985.365058 5761.687321 13851.89817 11536.16844 6530.824884 3000.425301 8345.416454 6931.526852 13910.57809 6105.21706 18045.49716 10447.42288 5901.450264 18201.90708 10601.96742 NA 5674.785062 NA NA 16021.97531 NA 18376.63911 5970.168378 3159.461868 NA 5583.035204 18051.67504 5914.797471 10834.09207 22047.0497 3,4-Dihydrox benzoic acid 6845.204778 29587.30507 2294.993752 3523.896914 23006.46219 1879.713962 13908.40718 20001.79558 18435.65338 19688.49873 26693.10244 14746.55253 15053.95259 19532.20053 18764.20194 18327.43162 15042.48396 16370.62732 16040.3487 20140.65232 15867.32734 15760.87032 17561.04346 15235.33665 19246.01597 NA 9889.977072 6714.941255 22107.43972 16686.6 8400.513228 5674.813645 10520.09732 17690.9196 14257.06823 24990.10405 8461.655042 35008.57507 20277.77513 37767.95206 10754.03839 7497.530522 13808.10515 19339.93323 14190.56484 8360.344988 21031.8 6438.515451 7612.558896 17414.51655 42162.59718 38075.16051 12813.98398 9761.742289 13019.06677 28168.30332 21833.46855 9086.067084 15941.3122 8352.185165 15903.77002 36281.22846 16607.7221 38752.25199 13656.00953 6085.772492 12332.21891 10902.00801 5269.210233 4431.606884 6957.102847 7359.184927 7226.300477 32172.96482 9986.941896 39151.51975 23075.74593 23746.4451 11860.40167 23792.56515 11839.97584 20347.60334 7008.03805 14431.15055 9539.886144 18687.70075 6880.333211 29127.36842 10185.85361 20738.32449 15682.29304 11228.8051 5518.337586 8566.425582 23430.45693 19154.28672 9993.801427 13396.78958 5459.804839 9093.376066 9597.14424 6738.947637 3578.031406 24883.75493 35903.46525 8060.748686 12122.55565 4568.252811 5995.734996 10936.06672 6420.557095 13429.3482 4931.518944 15281.74426 12431.71927 11318.55587 71500.07929 23436.95645 42305.98591 27307.20702 90165.22814 9580.001177 21247.31335 15938.3221 8692.953622 6288.01491 14725.0345 4347.168948 17050.14133 21291.26674 7538.740331 11185.68881 10849.71699 3896.054385 10521.14001 3351.715758 29672.538 30700.56897 14744.75483 10943.24946 22255.64803 7114.623136 30450.75987 7965.633869 19178.55342 5289.839352 25423.74747 8896.851147 15219.85919 9577.497871 5206.128407 10721.65528 14513.81802 18655.64873 6459.055685 14432.81097 6087.207446 7062.898956 13559.51121 13301.76332 17186.69321 7280.914687 17025.83572 7001.084172 12355.12632 17013.89762 5405.813317 12083.4269 8269.041353 3996.357649 14223.43935 5795.187612 43483.76875 180185.1181 90858.1813 8879.669546 12651.82598 12584.32599 13784.28629 10503.24937 5967.654565 6903.488202 5852.896899 13332.11014 19037.19825 42542.74752 45389.5033 Indoleacetaldehyde NA NA NA NA NA NA 8804.077219 11375.62871 8746.676733 11875.29048 16348.80917 13100.66093 10261.74361 10696.44025 10426.19752 10635.87647 10124.27282 9798.153869 11179.00642 9294.995872 9222.495837 8442.70209 11843.35552 8564.084493 9139.241159 NA NA NA 7428.177354 NA 6772.81276 NA NA 2511.918108 NA NA NA 22354.21806 16797.05756 3626.536073 NA 3585.250083 NA NA NA NA 8381.918411 4822.877121 22583.685 NA NA NA 2712.896129 5102.632529 4105.351972 7284.243366 25607.73518 21021.20947 4593.299524 3692.814802 NA NA 2803.396108 NA NA NA NA 4590.153498 NA 3914.459889 NA NA NA 64245.28127 40397.06935 24862.89822 NA 15734.3231 6876.246177 NA 3200.420882 5129.882138 9710.812597 14015.51719 2621.062518 5485.40745 4565.904448 NA NA NA NA 190859.62 38520.12022 133779.9861 NA 8315.13825 4937.579694 NA 4035.428246 6852.568768 4418.762645 NA 232.9391346 3804.643589 NA NA NA 2950.335747 3050.081818 45422.72907 34902.50154 8606.972412 8680.227593 8145.173481 NA 39386.8158 13589.79008 48254.0223 64512.46922 38976.63213 4394.66524 15565.09913 17854.49928 NA NA 5510.621962 4567.265001 41245.26756 39338.1228 NA NA NA NA NA NA NA NA NA NA 13624.5161 16148.68177 NA NA NA NA 8846.232713 NA 12382.28706 NA NA NA 12091.43908 NA 13949.01174 NA NA NA 18329.46996 5010.113243 31094.88456 9926.104013 10208.77725 2371.600108 NA NA 2228.863949 NA NA NA NA NA NA 51334.34348 15280.09402 44105.24223 NA NA NA NA NA NA NA NA NA NA NA NA Adipic acid / 3-Methylglutaric acid 8675.858393 13535.89588 11886.43618 6195.54625 9842.752879 6480.484923 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 27324.11813 NA NA 1403.053189 8639.136316 19432.96993 NA 19329.0676 NA 30853.74726 NA NA NA NA 16893.68211 NA NA NA 18518.45987 NA 4522.031751 NA NA NA NA NA 12504.73376 NA 32610.48148 16607.1189 NA NA NA NA NA NA NA NA NA 18812.81257 NA NA NA 16522.86603 NA 23300.64096 NA NA NA 31001.9299 NA NA 88653.89576 72057.81661 7601.869509 29533.99767 NA 18381.87244 NA 5121.090263 NA NA NA 54869.12528 NA 7386.017799 NA NA NA NA NA NA 12779.14827 NA NA NA NA NA NA 6704.042641 18320.66784 NA NA NA 11632.2525 15302.58926 NA 6800.563838 NA 21272.58083 19071.69679 NA NA NA NA NA NA NA NA NA 20102.26027 NA NA NA NA NA NA NA NA NA 18437.75709 NA 19937.63606 NA NA NA 414.7376725 NA NA 26087.24796 NA NA 8972.759088 NA NA NA NA NA 4048.027779 NA NA 17461.94808 NA NA NA NA NA NA NA NA NA NA NA NA 5966.268895 NA 25084.44715 NA NA NA 18087.35088 NA NA NA NA NA NA NA NA N-Formyl-L-Methionine NA NA NA NA NA NA 8515.220897 14144.25545 13184.61088 12994.27439 18564.91378 4513.894657 16619.40226 11491.91827 NA 12749.75752 9302.932047 18897.81306 14949.45736 10105.50842 7791.885731 13607.84719 12253.28176 11109.61594 NA NA 4825.53549 NA NA NA NA 11267.48653 NA 5220.573565 NA NA NA NA NA 19649.79197 NA NA NA 9561.236832 9885.148644 38330.17861 NA 10815.35657 NA NA 9136.473527 NA NA NA NA 9109.392659 NA NA 25231.68673 11836.64536 14184.39187 NA NA NA NA NA NA 11339.83693 NA 9305.831311 10691.35675 NA NA NA NA NA NA NA NA NA 3729.604033 12655.31486 NA NA NA NA 8727.959655 5924.061689 NA NA NA NA NA NA 6587.372801 NA NA 3745.068142 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 10496.20743 NA NA NA NA NA NA NA NA 35034.97326 9553.921702 NA NA NA 28070.17694 NA NA NA NA NA 6993.257706 6106.382182 NA 6892.250345 4503.690113 NA NA NA NA 17974.42275 7978.951477 NA 10295.35929 NA 6580.004518 NA 10584.07199 8680.73109 NA NA NA NA NA NA NA 6742.89423 7433.785983 NA NA NA NA NA 4541.161058 NA NA 8700.185352 NA NA 13933.96739 8704.532513 NA 7337.195199 NA NA NA NA NA NA NA NA 3040.479184 NA NA NA 15191.13485 Hydroxyphenyllactic acid NA NA NA NA NA NA 25488.95122 27688.79231 22939.29546 18179.00207 42074.42986 25708.04812 28989.08536 24908.48249 35490.52269 24592.97748 17262.69207 20415.74722 22117.28196 16383.54884 16251.7864 23678.43225 17938.89899 17211.46737 33231.19938 18956.52289 15468.7674 16248.04882 18505.42578 16256.50487 12178.89534 19675.23693 11536.65639 18859.40781 12422.70613 12906.91124 NA 25540.78893 14034.86241 20179.53333 19850.37657 13749.24933 21100.36121 33360.89006 20593.89878 22065.29654 29384.64592 14400.99044 NA NA 15120.57333 15669.92105 13537.06294 13287.17043 14968.29671 22030.81831 24085.12319 15066.22971 12507.82955 10992.41176 19091.58501 15849.53776 11144.55123 12640.64678 16054.96086 14818.74173 6179.075936 13640.26471 11282.42716 12039.56811 8099.569968 9225.904174 8997.898698 25372.82983 11001.12986 17343.9503 9514.448991 13849.97108 NA 19969.59884 14217.1933 29297.07084 10867.70684 11779.40914 10845.53247 17746.70757 15089.76198 15712.95379 13135.59182 17693.94204 14837.65894 24263.89551 22565.00125 12771.02143 14115.79951 12923.15945 8314.983434 NA 11088.95707 9693.217712 12678.05593 9940.478527 10785.48825 NA 19888.86017 NA 18960.05705 12131.87522 10185.37765 8072.371298 6377.207714 11911.70555 10719.11003 10484.34287 16286.91594 6319.381755 18212.5074 17348.09589 11295.10666 NA 10883.46026 20239.0267 21999.49203 6736.143238 10265.6974 11087.20356 13598.76702 NA 8643.282334 4854.186502 6748.209734 16383.53145 8535.363645 10037.66407 14499.82603 13518.4407 13307.95248 18175.80731 15906.20001 11995.61955 13807.11445 12352.39155 18136.78011 8532.930646 8267.692099 10642.35857 26554.53487 11968.74329 16841.88287 12567.63189 13246.1236 11268.364 9031.009588 6863.64815 11854.48398 9413.65717 8273.453556 9197.257926 14335.54909 15775.5091 9203.069618 NA 9822.578801 9748.309708 9595.975895 16897.01996 12618.09938 19700.96732 12151.57647 8688.448139 16019.62503 12872.0047 13432.85679 12623.45953 14925.29028 12731.79463 19060.45538 16018.58048 13916.40723 14928.48784 16553.00491 12712.07342 8951.494705 9137.763196 8398.845601 12903.59451 20048.75754 Phenylacetic acid NA NA NA NA NA NA 19214.10332 25366.44631 29420.44962 19732.03262 22653.2211 28057.27973 27749.00037 25143.2873 19388.5547 26616.92267 21584.48702 22547.31689 22679.17957 21214.08961 21778.49538 17360.48752 26681.47777 17757.21337 27603.34202 22766.35933 18681.73814 18477.64633 21156.05465 19692.88823 11008.52335 19291.83519 13473.05613 20774.68028 12005.77746 13745.29431 7666.936421 23283.69195 14966.10005 20805.73893 26255.73662 14991.13026 21894.24386 37378.94742 28031.21815 19945.05371 29990.2963 15632.80662 NA NA 20695.44533 17547.09999 16726.59206 15523.67965 12829.72734 21252.38861 25458.50548 14116.39997 16014.50269 13346.00582 18120.50165 16159.35664 11320.40808 16759.54701 18458.92802 14539.06666 8980.834791 11935.77518 13556.63647 13640.76368 9499.237027 8104.599257 9870.719629 28305.42292 14772.51417 24699.79655 10563.69854 19294.14773 10879.25529 19482.55778 18974.45354 30562.76207 9661.086931 11574.27816 15942.48977 16905.52531 14707.75166 16560.95134 13810.23477 16955.937 17014.70869 28852.21796 23516.18531 17953.69993 16915.60716 23921.70041 10495.01445 13593.23405 9084.45636 7343.761962 13375.02194 12403.95639 11910.49794 8460.299924 9244.217692 NA 18371.16697 13597.19866 10030.33366 11728.17324 7339.127457 12421.51689 10811.81764 15435.42949 17503.13563 10967.74623 18892.61074 16070.16066 9876.472493 9923.14787 12655.65669 19356.51383 19541.17972 10615.72915 11539.6234 9214.209469 16301.26409 8937.775797 11549.61521 6090.581455 9431.701549 19622.00101 9724.301436 14227.84497 14939.67397 13412.97122 11373.83855 19237.04011 16951.27839 22214.24408 20457.70568 12041.51351 16468.46701 11461.37749 14212.2153 14939.59813 25199.23617 12969.5712 19302.66182 15330.85991 20105.18145 11332.42921 9339.556035 9702.486599 10351.98751 9469.402537 8152.579726 11631.00741 18981.38463 14610.93378 16116.32106 7305.245254 9557.965225 8005.886116 14772.26017 17530.75882 13309.71807 27535.08431 16845.44286 11301.04684 15636.40406 11502.71047 12402.10349 16125.80571 16422.6261 11453.15274 18038.93562 19906.01623 16787.90988 16627.7057 16679.18355 12434.37804 9132.498218 8226.493911 13946.42962 15391.64832 16333.62614 5-Hydroxyindoleacetic acid NA NA NA NA NA NA 10538.24369 8669.097482 9365.584288 10380.9364 13755.87809 16036.59454 10768.15001 10298.7139 10714.04173 10712.34552 9898.366062 13042.98404 7049.95621 9467.551382 8084.971172 7146.665365 9904.568862 11439.86836 12541.62593 5718.009771 7523.546495 6468.231023 7132.061154 5526.652852 7636.369094 6580.29586 6436.308722 7396.169728 5205.635573 14605.22149 8558.6294 12806.09754 6562.081567 5298.429491 6072.755658 7221.483801 11970.87011 11236.94294 5172.288277 13452.11422 11371.52852 6932.048559 12331.29421 9576.162189 4195.30903 9872.708688 6141.136074 9964.017402 7301.067201 2300.969902 10422.19213 5292.6455 11104.90842 14033.94335 23188.05054 12024.41956 3186.019047 5500.415437 5602.653407 6563.946929 7628.979257 6934.668852 2596.362554 8163.096518 8994.434422 6651.371351 3168.069344 12643.66475 6898.474801 3791.394681 4502.497407 10493.5236 6530.294232 5460.502391 10799.70174 13374.94711 11275.89309 9886.345081 4830.909091 13540.04875 8859.181275 6371.488687 11052.27703 12137.46068 4638.416026 9558.580652 5087.681811 7761.486259 4678.029945 8249.145624 6166.101818 3435.392747 6601.748131 10674.7754 7755.966237 4186.685916 4458.28209 8253.578624 5564.170446 4149.366048 7402.983572 4273.897684 9900.581494 4600.91303 5211.626026 5653.938743 7352.983042 9587.933772 3447.90259 4885.191332 5422.715801 9814.26753 8447.07143 4204.018822 4004.125207 10173.83604 7855.916329 7595.578014 4114.201746 4222.713745 12856.25908 9588.982343 8844.426751 3762.225523 5894.671047 4247.841327 8908.059235 7491.987291 6140.469487 5119.112938 3400.331916 7573.551778 8759.533215 9463.986008 11150.41994 5901.641477 8955.036727 9174.770025 6652.394538 6441.127359 4445.008901 9235.682816 6874.434232 10979.78829 8586.313533 9005.262225 5761.314343 7108.417126 6006.99141 12545.50689 8798.033909 7465.701693 7865.30719 5971.571698 8248.310653 5904.018021 4115.954045 4304.13356 4927.194176 11501.05802 9467.206011 9789.480533 7021.418265 5698.383883 9845.7425 6664.575078 7467.176647 4727.612789 7633.678895 5593.595494 8660.671816 8331.529651 5600.363419 4082.25588 6590.639574 9875.862716 2818.726818 9395.058092 9728.362924 6278.56716 12604.1066 Indoxyl Sulfate NA NA NA NA NA NA 217750.1421 196349.2032 218689.471 206403.6478 271165.9587 184871.2739 192256.5682 211949.3862 184586.4768 214614.3475 174314.4644 205216.685 180261.43 186764.4364 190236.3364 183110.08 192576.0513 164685.6303 218159.6538 135596.8975 102276.9457 56056.32768 228742.0546 338819.5622 117573.4937 217084.2035 58539.19177 186426.9962 385082.7491 281612.981 119089.5403 178382.0761 121471.5613 268255.4099 221523.0667 55874.6876 138401.3774 199782.5723 237055.6283 71986.599 118075.0393 221058.0998 79718.13407 175177.9937 560263.9048 448988.0755 225274.9263 118367.6443 107835.7222 58351.20758 42240.29058 22327.93921 179874.6911 85151.29937 331563.8923 141730.1037 85287.11293 139890.9034 300862.5228 118116.9027 174355.7733 120268.0923 142347.633 54748.09136 95058.75498 242020.5316 369839.8282 239192.6952 87106.79118 428592.4922 855861.9532 416007.7964 260611.9305 815637.064 211290.5584 466887.5783 215869.1443 451212.0392 662907.7659 635457.7467 259894.6846 1037251.355 47688.12235 95681.50772 136837.3334 144793.0862 209297.4522 118286.6416 301705.6415 170731.5959 58956.11864 429293.7767 372458.0791 163043.0501 111701.7466 179044.219 42585.18506 189995.9528 279829.8141 57953.60539 346647.7988 105793.4613 227329.0092 133482.2935 67054.49637 179320.1529 59323.67475 123893.5652 194436.431 34438.39574 285586.5272 109335.7728 212132.4359 102607.0941 317041.5112 181022.0113 278426.5219 567082.8757 478321.8006 198292.2715 415526.5574 11835.11738 30323.62146 307498.1518 135217.7777 302040.5969 229290.2534 152220.571 87715.48191 51304.45734 254709.0235 146931.9251 81161.43521 40354.58475 65962.63739 414037.6468 440130.0975 133726.4776 461493.8215 196046.3279 348658.6761 256936.4291 143790.7743 279413.3905 77907.35961 283127.3101 708525.1953 512237.2764 139937.1083 101304.28 62487.61094 99943.15362 265323.3777 159816.4153 166137.098 80342.07302 231963.8535 65436.21098 172303.7586 181165.8526 105297.2104 336286.9567 371057.3106 60142.68611 104912.0727 226743.0642 33008.00253 65628.96737 58250.8324 451407.91 726203.8824 1102461.008 173472.177 264829.7235 84693.52296 71006.60698 160039.6953 141576.0429 206865.555 714922.4 377133.4111 Xanthurenic acid NA NA NA NA NA NA 30995.34507 29936.60927 38799.78599 30557.38714 37479.25705 43892.51525 32121.20202 33970.24042 34554.11368 38035.56674 28595.56937 30492.70183 36374.43518 31998.42739 33653.89621 34931.99969 39015.9297 24409.8421 36952.92447 NA 27150.98639 29812.43271 20363.76907 NA 20725.11221 NA 32354.56275 24963.10392 NA 29016.60748 25386.41321 42964.32326 45414.14588 NA NA 31018.82485 27193.48631 17414.77529 NA 12287.06425 32503.155 NA 42150.21222 23921.18246 NA 18024.06407 NA 36657.09984 35954.93577 NA 20970.56053 22876.98944 32217.80325 22818.52322 NA 22518.70146 23258.83699 NA NA 32565.92702 37857.66606 21812.14284 NA 22566.56513 10197.39893 5527.061406 NA 21428.29282 19004.40383 NA NA 18451.86258 15647.14415 NA 11658.50038 16667.11046 22960.07695 23915.98549 NA 9865.673903 16955.83082 NA 27821.1708 23929.96193 NA 21672.07698 NA 23536.60283 NA 26742.33081 18077.6513 NA 7254.988803 14575.36723 20573.70179 NA 13259.4736 24755.51389 NA 12701.46262 NA 32137.66154 7599.841682 18078.25022 16309.84322 NA 18138.15822 9006.146945 NA 13041.56666 NA 7757.183993 15100.18451 24353.18586 NA 29896.8493 47702.41692 NA NA 17120.59591 NA 20049.07387 19969.2082 NA 25476.19139 NA 28159.12413 NA 24587.01633 22097.41252 NA 12931.11976 17122.37837 36104.57516 19438.92147 NA NA 18620.87165 NA 63387.50932 NA 71472.33987 36486.50372 NA 25292.24557 17221.89388 NA NA NA 44235.74427 40870.81166 18703.49937 NA 21426.62423 10045.54401 9341.791225 NA 45186.77936 NA 38149.35856 24415.84084 20661.33975 NA 15096.75286 14714.07083 NA 26119.84611 NA 12163.30841 49701.14917 46242.28517 NA 14959.85117 NA 29256.51927 29506.54564 NA 13331.28116 14812.48725 NA 14057.78146 3-Methyl-2-Oxovaleric acid NA NA NA NA NA NA 218078.4863 202825.3127 263898.8009 240364.3194 305736.8099 295690.796 264683.3947 255348.7699 286272.0375 292631.2738 241270.6221 270157.019 240834.8402 272915.3631 256109.6556 264151.0635 274249.158 239441.5735 278354.2627 189786.4116 96146.94741 68983.87074 94266.87988 201322.6653 73592.11008 212353.6033 79298.56736 187259.7908 223982.0768 164565.8316 98487.0871 127140.1165 104229.7566 227518.661 293080.1823 80526.04421 126203.8841 291266.0951 422699.8699 138040.3636 230088.8177 314663.2636 132646.2711 95385.19257 238387.873 116511.0967 319486.8751 133144.6246 90440.24342 300654.7352 148708.2304 84372.73829 130678.146 80559.10345 317426.4727 262102.6706 138297.1051 358076.6332 234902.0897 97071.15726 155513.9969 154232.7871 149280.7495 104438.6752 86905.50814 161770.9116 204684.9615 87179.35104 60732.64433 207570.1892 237265.4033 176350.8678 93876.83099 533770.3134 157607.5334 289084.8874 95209.03728 154246.6371 248288.6089 286610.1705 170893.9081 574303.9673 115794.8512 185339.4025 242985.4185 175789.3008 310937.359 143388.0969 221531.1589 105349.2396 82922.07144 240595.1172 134158.4835 98492.11387 139957.2097 188976.8628 103411.7001 98134.6482 241893.3445 80330.22628 307327.5027 98271.73348 137773.4723 129407.684 94732.81496 225043.1745 102501.4325 135791.7215 337421.8968 59042.79994 344322.598 82876.10239 100996.1413 92427.32934 363555.9807 133511.8663 270708.5598 337459.7246 223675.3242 92027.68164 182651.8548 63284.17784 159171.2767 66303.13238 111032.743 342987.017 156919.3245 230374.7313 200280.3327 89914.69975 279807.8891 207448.2862 95973.93065 98764.45314 125344.4536 175595.8913 255199.2327 94713.12651 294029.4591 122533.9793 777624.0149 135767.5043 130295.7821 192717.6613 72939.36313 110747.6355 245425.2079 140459.3407 342728.9088 227142.8647 105649.7186 97387.54993 283585.7544 144959.2798 150789.4299 111617.3381 196074.6972 80520.34169 245565.4189 239993.8525 138839.3783 338598.5353 398298.3647 118846.525 185484.0253 497689.0977 99265.59622 322941.9066 153457.8535 113895.6167 117789.3594 206736.4132 157291.8166 217858.8817 94884.9914 114264.8431 268296.4994 192542.7309 132238.6652 380586.9304 197133.5344 P-Hydroxyphenylacetic acid / 2-Hydroxyphenylacetic acid NA NA NA NA NA NA NA 13194.62448 13075.2621 NA NA 19447.99857 13044.95115 NA 13343.01776 15982.93363 NA NA NA 10623.48271 10811.80567 13636.81305 NA 11459.5449 NA 14844.25257 11924.18715 9426.315627 16808.2394 NA NA 18347.88143 5169.772691 14989.54221 16923.5516 14898.3964 11121.73187 11891.75684 14137.28715 18271.97492 16885.19238 NA 10854.36332 17324.11727 26168.17203 11592.72502 13276.65342 13971.42025 12591.4591 9517.779176 NA NA 17395.29287 11126.65275 NA NA 11643.90141 NA NA NA NA 22938.43429 12079.8162 NA NA NA 10594.16203 16707.75752 NA 8707.076422 NA 11229.36958 NA 10790.78533 8885.685592 16961.61299 16118.92229 13835.05132 12924.68954 25936.46125 11002.10817 22530.59812 NA 11903.42899 NA NA 9638.531392 25274.73702 NA 15404.53187 NA NA 26532.5682 NA NA 6619.56107 8885.310053 NA NA NA 9746.678643 NA NA 10933.74023 NA NA NA 9896.598578 NA NA NA 19114.27549 11383.895 NA 19489.47477 NA 17806.21999 11945.07021 8350.465233 NA 15856.97341 8038.321593 10966.99087 20721.38045 NA NA 13884.4291 NA NA NA NA NA NA NA 9671.474955 NA NA 14777.69802 9794.339913 9256.69088 14248.0089 NA 18744.60318 12739.12488 22836.88114 10054.40261 39191.20326 NA 9788.167272 13454.66497 NA 9993.867683 NA 13296.15229 20546.15574 NA NA 9955.282938 15388.04598 NA NA NA NA 11341.78639 20724.0378 18022.74778 9515.068115 21105.36622 19360.07477 NA 11018.55251 26955.99775 12281.79599 NA 14138.04872 9308.146477 7198.296326 23280.45288 11472.16916 NA NA NA NA 12484.59878 NA NA NA Hippuric acid NA NA NA NA NA NA 49219.74128 60429.02599 65848.96048 64165.98623 82907.92492 59315.89237 73372.67452 61122.01476 80316.58545 60133.24046 60195.70454 62452.95984 51695.99439 58050.60467 55292.54187 44075.7206 58050.92288 49270.85471 88223.8474 26280.96563 21315.77262 NA 49039.09912 88431.76869 38735.83218 29627.85894 NA 35056.72397 84816.80882 76213.63994 42804.6494 NA NA 32191.30482 NA NA NA 122956.0097 132510.9557 58174.86836 45243.33205 91673.28505 37218.87334 32712.26233 76482.97955 54346.54717 79333.88185 33779.65605 47727.31306 32254.72732 NA NA NA NA 53607.16308 28167.49438 NA 42693.11603 129094.2229 48942.10472 83928.30815 NA NA NA 40973.48465 51565.01747 63802.16683 NA NA NA 63252.78958 51008.27282 37237.57539 40308.00913 11848.54852 26916.10852 121223.2859 198982.4992 255869.4862 41058.01319 33889.92649 76923.86929 27672.21278 34457.80798 47208.23048 NA 28807.16182 NA 68147.61314 55003.59764 25170.45384 64423.0392 NA 41274.22708 28833.97322 36987.15037 19392.49738 49771.92105 75242.21572 20642.9418 179124.8491 66286.43718 56004.0975 NA NA 26412.47391 22148.47158 23898.91612 36185.72026 36759.47112 134546.8875 34368.79928 70105.73703 45050.49053 144641.5954 58447.28823 78822.88811 87307.42087 28846.90702 18838.30133 35449.14062 NA NA 30801.62648 NA 41100.57257 18199.82003 22151.11422 15736.33788 NA 31290.6361 22080.27212 18311.31758 35602.34 42952.52009 39219.35397 88113.5104 42920.64946 84042.64441 23609.74145 89578.18092 68597.08132 770265.9705 1192268.375 517767.7155 23336.97775 41607.76417 37409.56364 181006.1932 138975.5729 79827.76661 29233.71414 97795.11467 60890.85066 16989.82743 12892.89466 23561.14908 NA 23210.95321 27613.17421 33430.61371 93698.34509 103012.8585 21990.65255 24846.17784 34277.46917 54198.86466 139294.607 102046.1737 63471.56359 96900.41609 130393.0546 88570.98229 127150.462 61709.73763 NA 9507.089795 15666.86907 126969.1666 300139.3283 210555.411 Phenylacetylglutamine NA NA NA NA NA NA 88597.9069 98710.75782 103306.1252 98257.92333 112833.6419 95825.78237 93708.61615 96221.02364 92981.53686 93243.53946 82924.8844 89756.10467 82378.98545 85364.36484 79564.80508 78997.72755 98079.70985 69023.30271 96707.12601 48870.72849 33936.52042 25089.34557 38026.80109 45985.02392 26320.08093 115437.6238 36441.19838 87924.68435 256863.4533 204657.225 125619.5772 59963.16581 34120.53108 49774.70699 50884.58187 21754.65365 45061.20972 64015.93582 67348.66118 36961.16854 114738.0638 236700.5219 108295.297 45832.03337 116583.6381 68259.62585 112443.743 54709.5013 50640.57868 16441.22455 16624.98384 9867.341139 41202.24114 26645.83839 78659.81101 50244.27342 27509.90248 60092.12324 60384.10804 27950.10337 36370.75643 18559.69717 10586.46306 10217.70823 8408.331983 12063.00896 10712.72857 72413.50572 44558.2619 95502.30157 134160.1913 100646.2514 69320.14332 148340.9891 45957.28812 97173.3377 82143.76715 105229.2868 159639.8863 88495.11664 57524.78574 143324.8487 17612.07658 30462.0516 25420.70772 51339.64779 83609.70657 30648.07933 56146.37881 36724.29218 22177.9672 108872.3587 32984.65302 62830.16121 64211.00082 72058.09959 33366.68909 32387.40453 57211.97191 15449.39176 79000.67065 24296.09751 21969.47063 31765.1074 18599.51817 56951.87637 23742.28107 25192.02966 44270.46721 35581.04825 159429.8876 41932.19124 55096.44368 54951.42675 175990.0043 46279.44679 71347.0069 79684.9859 98011.61317 54133.00489 95495.35464 6799.86716 16265.76402 54874.70114 46601.96524 128542.3464 62400.02792 33630.52048 33180.67152 19458.08437 48157.62537 42530.96465 29157.11168 67280.17016 68571.53621 31905.88203 96898.57587 48193.44112 101356.9503 68013.05163 60562.4648 86828.15506 113323.482 159184.1581 69814.97948 141209.4098 259577.7982 196234.4261 48065.56841 38705.42104 22963.69095 25766.78206 49857.81666 34260.70808 44706.57133 27373.31805 47777.97964 33223.63631 81887.6799 77169.13573 32472.13058 82255.821 73725.6092 26595.87757 40461.09923 70700.96558 16601.8482 35939.79011 26960.75308 101061.8404 171158.5723 282452.8879 33547.83279 35004.32675 21363.53089 22848.45326 39732.52183 36720.78634 64174.12788 153840.4325 117600.2276 4-Hydroxybenzoic acid NA NA NA NA NA NA 6742.406622 7128.183976 12810.5993 NA 12845.70075 5745.40276 NA 9493.595178 10410.56816 11674.02805 8796.189711 8027.160233 7421.995602 11776.30496 10404.61913 10322.80451 12562.38902 NA 12327.47493 NA 13369.54852 30429.96961 14354.5523 NA 15224.77447 NA 25392.57456 NA NA 8209.528638 12655.98968 18463.60827 28516.6096 NA NA 12311.22376 8997.959032 NA NA NA 8305.90028 NA 27338.33956 12859.51437 NA NA NA 34922.27018 17112.95678 NA 5002.71539 15228.84022 7729.241997 19539.75597 NA 10212.46884 16672.76956 NA NA 12943.40875 16438.3718 NA NA 18489.22544 NA NA NA NA 9826.999685 NA NA NA 11124.09199 NA NA 7156.958333 16988.20465 11617.52195 NA NA NA NA 14713.20055 8068.311708 NA 11738.00617 NA 19904.09625 NA 8115.123678 9753.234598 NA NA 5261.880318 9051.006678 NA 13887.34674 12370.1462 NA 18779.96872 NA 16011.10495 NA NA 12195.64332 NA 12258.70159 NA NA NA NA NA 9088.494792 15272.97321 NA 17268.42398 17750.576 NA NA 10848.20608 NA NA NA NA 12809.82359 NA 12302.28189 NA 7760.218762 16697.22053 NA 7478.618238 NA 15948.40284 NA NA NA NA NA 53040.81074 NA 31792.88969 18033.59453 NA 21585.31271 11420.37961 NA NA NA 12282.36113 19900.96809 13462.14198 NA NA NA NA NA 23468.59965 6166.924993 19494.43829 22335.36112 12097.35163 NA 6227.546953 NA NA 16205.29344 NA NA 37475.81222 31073.62967 NA NA NA 15232.40874 14155.57459 NA NA 11890.98396 NA NA Phthalic acid NA NA NA NA NA NA 8074.080508 7130.182729 3058.770713 5781.212905 NA 6179.916598 3646.530758 NA NA NA 5422.694937 3604.931793 5375.409486 NA NA 8722.116441 9492.692828 NA 7253.259789 3975.558433 NA NA 16411.67939 NA NA NA NA 3801.690038 NA 5022.44319 6723.560024 10666.51586 NA NA NA NA 2491.455776 21393.03269 NA 8266.680719 6496.429569 NA 10764.7113 8170.352606 NA NA NA 10171.80103 4517.642257 NA 2279.901007 9324.394027 6633.172731 4540.439861 4985.779103 4982.721271 NA 5073.742483 NA 7714.278113 NA 8683.101115 NA NA 5039.962043 4375.321167 4214.32283 22784.38661 NA NA NA NA NA NA 12787.88644 NA 4388.506337 2803.366993 12950.80669 NA NA NA 4659.10103 NA NA NA NA NA NA NA NA NA NA NA NA NA 5512.80104 NA NA NA NA 5137.009357 NA NA NA NA 12909.55882 NA NA 3823.313173 NA NA NA NA NA 4153.526549 16585.79269 NA NA NA NA 5974.791303 4127.502189 NA 4900.224252 NA 1930.981752 NA 4616.118881 10400.64369 NA NA 7798.340674 7143.019495 NA 4566.184978 NA 14266.98647 23876.24043 NA 1931.903065 NA 3984.719283 NA 4846.142322 3231.671458 NA NA NA 5471.868354 NA NA NA NA NA 10689.33924 NA NA NA 8427.061679 9285.570935 4930.208467 NA 5696.831276 7638.756918 4263.83306 5206.862657 NA 6508.037926 13565.46823 NA NA NA NA NA NA NA NA 4770.414362 NA NA Mandelic acid / 3-Hydroxyphenylacetic acid NA NA NA NA NA NA 17541.5987 15038.03406 14738.03268 14746.50207 18732.33455 15609.35082 15188.6571 20187.45399 19111.58249 16209.72979 12625.19668 15923.33851 19165.91216 8676.943254 12199.12423 16229.42304 17550.48951 13401.99893 17293.37608 16993.05021 8888.857538 12247.69695 11141.00812 14131.65033 5316.294929 15515.30072 4958.542155 14015.35708 20827.19185 16491.63928 8691.084837 8883.589936 11249.96925 20543.07684 22841.45464 8820.500023 12938.23285 19389.31071 20249.91271 17316.93929 16101.4145 29923.63879 11894.3873 10267.81663 22952.81425 10550.95815 26883.76963 12933.77566 10878.13248 23692.25282 10264.37852 9665.864071 8478.733802 7571.417692 21784.31131 17434.70721 16731.85719 15549.24952 19639.91301 10236.35818 7666.862175 16741.79934 16556.23721 9474.193367 9446.512364 8646.752588 14582.93952 5864.733159 8657.680973 15323.82967 18796.44907 16911.27889 12524.92229 37774.34769 12439.24132 20064.00478 10680.05011 10810.12933 19856.25282 16011.687 13642.0198 33361.27116 9451.546627 14431.97422 17509.70735 12360.56869 20482.88609 13091.01334 15390.44317 9734.158961 9888.614622 19993.87098 11438.14281 10811.67708 8429.891832 13893.90879 9622.335777 9357.096835 22583.90736 7012.092287 18160.79609 6632.874867 11411.85316 7630.356564 9490.163508 17966.3058 11980.93868 9567.182221 22178.10892 5973.925498 17988.51165 10108.10626 9772.21913 11251.13159 30904.58384 11052.98487 20911.17641 26602.91228 14287.80418 8448.942779 11141.65469 6902.600354 13534.49905 12020.17871 10581.61302 30241.1142 14228.15352 14794.17045 12751.41327 8152.660279 19947.13353 12603.88231 5131.913748 11663.62285 9672.771869 17756.14019 18460.34656 7860.907318 23015.17411 9736.804454 51870.64593 8427.204418 12687.85864 19222.51751 6290.034926 12807.35442 16937.56425 13763.30127 23105.54867 15514.2442 9191.704584 10914.08964 28942.98399 9453.095499 6645.367917 10468.09149 14451.47437 7278.980375 25100.94146 16232.58357 7592.765209 27700.61897 25580.79091 10575.6635 8424.978974 32573.65433 8462.068622 21804.65836 15137.4752 10619.97081 10854.63233 17762.63741 10222.97236 24435.22668 8330.972452 11907.4428 26044.88313 16482.39977 10112.81342 35416.44792 12116.73087 6-Carboxyhexanoic acid NA NA NA NA NA NA NA 15032.65056 13191.35508 17061.09517 16635.15307 13227.98368 14097.40344 14702.02842 17930.04963 16815.65511 NA 10756.55041 14683.4046 19085.26474 NA 10015.65251 NA 13552.95576 15118.07447 NA 10751.24192 NA 34133.17634 NA NA NA 9619.135355 17366.25367 NA 15040.54339 NA 25111.68367 10789.78842 NA NA NA 17724.93616 15225.92234 NA 6547.192551 24044.96713 NA NA 12142.19464 NA NA NA 6332.144878 16912.72388 NA 26733.26574 10420.92987 10993.98229 NA NA 14653.16758 6831.082268 NA NA NA 12807.92093 12909.71167 2518.157682 NA NA NA NA 20512.75418 7282.482037 5340.689927 2790.156072 20074.68732 NA NA 25997.73301 16910.39041 NA 20059.17667 3965.982131 NA 5856.003288 NA 10151.4427 17942.14328 NA 25188.33998 NA NA NA 16576.73122 NA NA NA 11543.29356 11156.52012 NA NA 11356.40899 NA NA NA NA 10008.28166 NA NA NA NA NA NA NA NA NA 10720.72191 10118.03588 9630.152878 NA 21548.79779 NA NA NA 18431.75228 NA 18466.16969 NA NA NA 11176.76737 NA NA 10593.03044 NA 16416.13735 NA 12171.84473 21336.95944 NA NA 13532.8225 NA NA NA 16847.98936 16824.77748 NA NA NA NA NA NA 27065.62449 8142.266126 NA NA 18574.62886 14905.00684 NA NA 12715.69601 NA 22939.98933 7250.365766 9659.229171 7212.673023 7112.949619 12655.2579 NA 20654.03345 NA 10928.97866 11602.76493 26247.91112 NA 16323.39503 NA NA NA NA 11720.50408 11674.96214 3437.617963 15462.0849 p-Cresol NA NA NA NA NA NA 12821.05354 15548.36126 17324.41271 20578.12599 22488.60993 14054.76283 18319.86943 10611.6589 18668.38465 12595.235 12797.97143 10304.83665 14042.01986 10789.178 10554.46963 11297.05082 13272.23937 8754.460937 16478.22473 NA NA NA 15064.32451 11950.0519 NA 29948.85257 10145.48822 34151.0209 43815.50934 40266.20156 23737.52898 NA NA NA 14582.58789 2686.890474 20882.48291 26102.58662 37166.22069 27166.63568 25916.75967 46410.19914 17306.19005 20069.67946 60054.51837 52861.81514 42417.00443 12976.6978 22717.10528 NA NA NA 31285.11803 15756.22908 38241.08911 36305.47075 17786.74621 26137.92791 25172.30766 6509.9081 12946.58351 NA NA NA 3050.096013 5402.297675 6705.586328 19904.24093 8060.876478 22268.38778 28758.34238 13873.79458 15367.55275 54491.99399 22262.17567 22438.65398 17544.57876 29004.40115 48996.419 55268.71535 31342.41922 105442.0916 NA NA NA 16137.80915 9795.490073 10609.33089 22461.2761 12065.4967 4020.407497 10906.1422 9381.945591 7512.156983 23165.96049 51476.54392 12018.07814 32359.76333 23449.58578 6187.422127 9166.343467 NA 11368.81782 8979.209264 1710.133772 4287.449302 6965.473833 NA 9996.389966 NA NA NA 25529.9343 16028.38409 29069.72862 9592.540612 11085.9101 23091.16071 17378.40956 10540.44391 14329.57989 NA NA 12926.47073 16823.9228 13426.16464 16073.6947 10709.04823 2631.022492 NA 11149.53113 9592.65041 6412.893158 10270.58882 11699.53793 6655.284957 11544.45749 6710.024179 17232.77758 20784.76642 10175.5188 24058.0539 8259.754395 12776.01016 NA 16971.88683 38683.18595 29047.18592 6637.441736 6100.785492 NA 4611.188191 18185.81153 18817.1254 2463.500679 NA 6382.317126 3167.007827 14361.06906 9892.478507 8935.660984 15522.93082 23532.76167 8681.354776 10497.07285 17370.59457 NA NA 9073.584155 27009.86364 26682.51714 46737.44963 NA 5398.418231 NA NA 6341.436039 7027.938667 7215.752773 25209.05708 14329.84173 p-Cresol sulfate NA NA NA NA NA NA 1080163.438 1017902.836 1218835.202 1141938.527 1346217.335 1085152.408 1077665.991 1072965.283 1063683.696 1170229.063 990051.5939 1025315.765 1014456.097 1012403.175 924703.9809 1014066.151 1018282.804 1172111.897 1051184.642 278022.1581 214687.4879 148889.1008 813165.6901 1104696.069 541450.6925 2523727.333 899744.6088 2048203.601 3138463.479 2653023.039 1455263.113 21920.72419 12907.22193 25944.34835 1084655.386 514081.5856 1060249.524 2531735.019 2759608.991 1350359.297 2413409.814 4212810.274 1692666.635 1541452.876 3851744.528 3292491.432 2338415.115 1326676.85 1128524.523 116960.9964 95029.03698 45592.38228 1830602.795 1089243.852 3068130.707 1862766.15 1105865.249 2059376.949 1291840.364 490979.4799 920682.3563 124546.428 135672.587 51770.34961 259332.1904 591497.8865 755532.4534 1744748.642 791273.1076 2244839.311 2781156.796 1901784.286 1415296.43 5161279.756 1592259.469 3056400.943 1514298.514 3043123.162 4266099.158 5838596.568 2450204.36 8967604.898 25127.8775 46093.12228 43481.8172 865714.9175 997121.335 684891.5252 1190988.873 798477.7628 409519.9968 852396.9703 727703.3548 428740.4463 2608382.694 3753206.901 1425989.364 1988953.155 2305094.579 1029068.252 1063801.952 386066.8686 798031.2441 462686.5238 300294.9228 525633.6849 451523.3921 807545.7524 1255264.709 295202.6534 1032223.77 534304.3612 2824944.175 1740839.124 3348302.645 1038068.999 1900820.998 2659645.321 2412255.357 1283674.855 2239064.804 20500.61978 24664.44588 1984448.074 1235486.715 2208914.973 1952539.806 939452.68 486343.9703 322650.561 1407165.807 919658.524 613673.4501 1125872.768 1350496.57 667131.7853 1225532.602 525162.7828 1104181.815 1529352.081 1104934.763 1984237.641 631815.3756 1069771.506 430520.9338 1934399.025 3829552.449 3124328.93 552897.0476 391157.0337 238166.1518 809006.54 1975570.44 1543370.625 340178.7935 198729.3803 470097.1006 615034.1604 1633616.07 1519644.368 873814.2527 2310203.208 2216776.502 992824.1175 1241031.662 2857600.336 362349.4554 731000.9754 561788.3965 1800741.204 3161841.84 4233747.209 368062.5868 444168.1925 233611.8978 586952.1116 1006409.74 939479.2987 1040455.708 2456788.343 1840631.209 3-Hydroxybenzoic acid NA NA NA NA NA NA 12861.82566 11805.43586 10337.3829 12102.92702 19291.67981 17919.24876 9706.342257 17078.91253 17694.36998 13551.81451 11405.94809 16311.46167 14596.3085 10617.79667 15794.2727 10606.11805 16249.67824 8648.349345 15702.03185 1950.746618 3752.814613 2752.017454 4040.67141 3132.09695 3939.219044 3709.256048 4010.524676 3324.360914 2620.535273 3795.019638 4026.071017 4381.912224 5844.669236 2938.30324 2657.235047 3209.884416 4041.657968 3120.5237 2028.064084 2743.287746 3075.458178 2091.514733 6546.741472 3713.587387 1981.587704 4213.795635 2793.550709 4457.224127 4195.315413 3505.008442 4658.514524 4089.965694 4444.324988 3022.897145 2011.036203 2635.024056 2891.458233 2561.778353 2734.28216 3992.991437 4372.723129 4337.978818 1764.721619 3864.626037 3168.679095 2368.386952 2427.829159 2151.069886 3017.722901 1599.133736 2983.339031 3644.9316 3220.487462 2079.760805 2676.133773 3320.475048 3326.347971 3818.504629 2010.716126 2661.549564 3173.175113 3257.011173 4204.484304 4269.124683 2279.795415 3199.868892 1476.159574 3972.445645 2438.115694 3850.132922 3298.842103 1502.776931 2857.595213 2132.561805 4039.199403 2857.806378 3260.74226 2975.793426 3893.20125 3554.96427 2586.636587 2501.813109 2667.544447 4559.685741 2523.93354 972.4134102 3379.085633 3466.790289 2705.297111 2423.536464 4222.517346 3445.270424 2216.859957 3013.278008 2304.1909 2689.380184 3005.059176 1683.092959 1121.119242 2537.135788 2467.261136 2701.42276 2615.627957 2578.886905 3165.534942 2230.54892 3290.313013 2398.546545 4144.012419 3731.4029 2953.667813 3654.892956 2402.081477 3687.212727 3722.35692 2231.474474 4227.755382 3229.842331 1856.85059 4287.834687 2741.605806 4189.529578 4109.66006 3245.284652 3374.053399 3532.240664 1317.096481 2108.576148 2184.408698 3956.306054 4038.868796 2031.888864 1566.008464 3704.036057 3387.580803 2449.163501 1810.967093 2286.519424 1585.457111 3886.767582 3045.891642 2933.132931 1467.179821 2142.390424 1514.511845 1492.311829 5008.311177 2436.288986 2279.510396 4012.24135 5181.083187 2057.494728 2931.088558 2045.740695 3798.02386 2510.749847 1703.277594 2191.462821 2953.226842 1999.543864 2045.369944 p-Cresol glucuronide NA NA NA NA NA NA 5755.086572 4655.51938 4364.810456 6303.721422 5860.108328 4937.896987 2688.238129 6341.742788 5105.259303 4807.399881 6238.125562 4438.193324 6448.778658 2968.595462 2734.13869 4084.297087 4800.343256 NA 3912.9825 1821.906862 2210.38853 NA NA 5511.213192 NA 5896.126269 2176.508482 3184.460361 8125.546193 7525.245864 3547.668329 NA NA NA NA NA NA NA NA NA 5581.79269 10650.00656 3997.690757 NA 7546.977725 5263.878763 NA NA NA NA NA NA NA NA 4589.75697 NA NA 3011.101032 NA NA NA NA NA NA NA NA NA NA NA NA NA 2237.730834 NA 12013.95759 5097.519098 8616.87322 8531.914815 11423.7582 26469.55564 7893.700131 4336.259401 18660.24367 NA NA NA NA 3106.437416 NA NA NA NA NA NA NA 4662.721561 5193.626198 4540.721933 NA 3297.332617 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 10816.87883 NA 6555.885613 5874.890033 6854.904085 3435.321074 5495.021796 NA NA 7358.08252 NA 9887.117999 4647.96112 3004.682074 NA NA NA NA NA NA NA NA NA NA NA 7057.590799 NA NA NA 6936.5063 NA 5998.485475 16022.37889 9749.223357 NA NA NA NA NA NA NA NA NA NA NA NA 3253.455268 8908.723087 8925.501014 NA 3699.039723 6413.123377 NA NA NA 8043.378384 9698.600226 15967.27202 NA NA NA 3696.451382 4710.400616 6869.484724 NA NA NA Indole-3-Ethanol NA NA NA NA NA NA 5845.236343 4575.791663 6223.704144 4492.168566 7062.747766 5751.643329 5045.453156 4730.147685 5458.801993 3057.477215 4774.934434 5471.913595 3963.664479 3843.275399 5258.992707 3658.11153 4541.059849 5334.400656 4932.35175 2622.73706 3446.756628 3098.825046 5100.860372 2554.164151 3580.242816 6602.207378 3059.085304 4077.147301 2537.646352 5293.436696 5112.821953 5743.081555 4810.205531 11003.80958 3494.313013 2975.831729 5624.055704 5835.440387 7102.100773 12344.13393 6899.653397 4487.629397 6811.438208 4131.026185 3528.997514 3654.100489 4063.122803 3279.46264 4423.316871 6782.879714 6009.482049 4547.745782 4012.735134 2126.342545 2146.492482 2952.050078 3287.557856 2471.444361 3192.383309 5114.86431 3173.203251 4307.27426 1877.678831 4535.981689 5056.504856 3891.881641 3519.640061 6860.995734 5259.658364 5053.532075 3747.010747 3149.1578 3065.750857 4725.574323 6572.126371 5424.496878 3550.0505 3993.846193 2572.718326 3199.151071 2567.670319 5338.680073 2803.07969 4004.983636 3404.957426 4543.215298 3528.57393 4323.737227 3721.6856 4142.073271 1966.695774 2825.218107 2434.124677 2957.919212 2937.133699 3053.664436 2406.748687 3378.735643 3569.315218 3295.01169 2364.573669 3136.466548 2299.201201 1923.657126 2227.852022 2166.868379 9488.014014 5098.527297 1462.935903 2488.162095 2870.667284 3235.907745 3052.486995 3695.003202 1833.08624 5369.861507 5182.986876 2767.082064 2153.184773 2534.760788 9343.498792 2865.935066 2561.879563 2508.560164 1987.221492 2040.724213 3369.767634 2321.950435 2827.468829 2687.173047 3108.36166 3726.967681 3146.818862 3900.302591 3170.969707 6016.31033 3539.155521 4479.917476 5955.33262 4082.176819 3375.002786 5235.512493 3457.888872 3740.479125 2844.755427 2584.639959 3388.554786 2566.179597 4655.854126 5310.990971 3190.747022 1831.70656 3853.706005 4635.43992 3021.982748 2688.969783 1893.049057 3270.263686 3798.51122 4327.310961 6353.680381 4271.349005 3258.412239 2296.120691 4904.756991 2202.136442 3724.942955 3611.621239 2733.187687 4552.930589 5920.48172 3331.894462 4287.328065 3009.534196 3638.884595 2001.274653 2950.593925 2117.724491 3103.378034 2313.178654 9534.510546 N-Acetylphenylalanine NA NA NA NA NA NA 6005.892375 4882.168761 8500.901487 5175.556614 7578.83329 6509.547623 5765.062571 4825.184135 5685.572511 3796.834219 4836.779281 5227.459953 5612.225847 6322.002167 7948.972536 4441.286673 8099.133888 7731.752666 7583.747992 3757.230172 6540.793259 5848.175404 7492.496422 3463.21077 5984.552646 7593.060485 6293.273216 8726.214014 2833.912572 8526.14046 7354.478639 9054.234782 5236.804114 12097.06431 3861.138369 5989.227948 9792.38621 9877.490547 8039.265178 17392.96132 9125.115415 5829.55534 11343.79855 7933.919611 3831.747532 5324.708959 4595.866464 5278.269861 4992.126894 6331.513981 9445.125982 8165.376457 8939.522951 5786.594611 2397.845266 5403.792437 5114.486467 3109.552858 4200.089917 7724.750405 5745.069717 7947.373776 2544.404472 8083.530022 6023.1572 4693.703959 4721.569738 10859.956 9184.731335 4627.497335 3819.632043 4824.46095 5605.676647 7040.69494 12497.62686 10641.34963 4983.903194 8043.179633 3269.417371 6925.852617 6198.79906 6543.638198 4599.284619 5752.489641 4150.211781 7094.358477 3711.191729 6748.602996 4345.197466 5432.828893 4703.877177 3377.238591 3768.925808 4220.367957 6571.896443 3622.449074 3370.190858 7494.778626 3590.847093 4681.616122 2803.345962 6402.098442 4746.896829 3785.614453 2956.954713 3042.239014 11270.71425 7872.731933 2567.30678 4550.113753 4161.32456 6789.2003 6314.509147 5944.558168 2284.153904 8440.376213 7779.662829 3890.306749 2913.955453 4774.299699 15711.39635 4292.2261 7349.964581 2999.673246 4218.178966 2511.66737 6763.598164 3218.475886 5567.41405 4438.888313 3725.787999 4339.801686 5570.432283 6173.825415 7001.182389 6375.445883 5524.951091 6425.589172 6524.465391 7752.620944 4237.78608 8196.490208 5102.225137 4723.49922 5567.730074 4957.61887 3633.428583 4862.250987 5357.588438 8406.347952 4903.979503 3737.36058 5072.236707 6735.168621 5159.830986 3959.587733 2635.065907 7408.159115 4169.362856 6989.263922 10927.67202 5419.795471 4085.817782 5674.915583 6431.972 3140.729034 6964.363619 4163.343173 5050.523417 8538.01701 8734.529679 4007.656035 7945.801064 4400.686854 3595.890732 5036.768193 3635.08873 4100.43828 4789.089478 3201.137057 10513.13316 4-Aminobenzoic acid / Anthranilic acid NA NA NA NA NA NA 22001.31514 19791.71535 24499.5719 29122.18663 33255.43361 20880.54412 25864.37051 26570.33221 24080.46396 29936.65398 24258.67524 24214.56197 20112.53966 24663.20939 23861.66287 25283.16551 26039.98301 25248.50411 32062.32156 NA 23408.61004 27313.66902 37207.47367 NA 48349.58016 NA 35541.66523 26390.70875 NA 48780.3306 30115.88629 52456.00758 58469.86538 4169.136418 NA 54958.63487 73865.18881 25735.6683 NA 31118.81263 104679.9675 NA 55136.84176 68231.43551 NA 23878.39203 NA 75677.03051 54366.15898 NA 43986.27161 37391.81939 31787.95142 33312.39147 NA 29171.75736 21241.04294 NA NA 33928.89885 39736.23465 21547.62777 NA 17981.97886 25101.78363 30215.7289 NA 39348.77481 26971.95326 NA 2487.538085 42072.82347 19769.69501 5737.541062 16201.87817 18214.01889 23267.68887 21000.72877 NA 13803.21523 16304.68175 NA 28333.07007 21310.27032 NA 36402.47227 NA 31195.42301 NA 24412.99373 19754.39393 NA 12252.56549 11814.73294 17022.9027 NA 23427.56854 68631.23525 NA 37815.83437 NA 38585.63409 34071.36064 34067.7484 16656.9006 NA 22171.23857 45891.76868 NA 17618.04163 NA 21758.7407 78278.15297 56690.79729 NA 26609.601 40831.35017 NA NA 18415.63837 13322.08856 29007.24572 41351.33063 NA 25882.84856 NA 25797.05173 NA 12045.66741 20586.26833 NA 23816.75617 29570.35538 58528.00459 30735.43814 NA 18603.25884 28948.49284 NA 74000.33369 NA 72472.48529 32953.51667 2423.765888 22431.54909 11642.73584 NA 10724.34311 NA 53008.75862 30722.04667 10566.07058 NA 27859.07386 13303.99478 8412.264149 NA 69110.55016 NA 61784.77768 28075.92875 19611.24411 NA 12770.4349 14434.4449 NA 41486.81383 NA 23258.87971 87483.37403 90979.28635 NA 35889.57252 NA 27095.86001 20678.62509 NA 16802.13122 20315.69751 NA 53269.39368 MCPP (Mono (3-carboxpropyl) phthalate) NA NA NA NA NA NA 3929.163421 2765.561945 3866.792091 4483.233117 4883.277446 4090.806639 3081.218262 2130.704854 4431.399719 4120.483798 4000.29137 3215.912972 3706.217613 3164.21859 3775.095901 2413.564338 3582.086065 2691.647005 3459.411288 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Suberic acid 32584.64171 57985.07071 27201.36618 21276.90662 40646.28776 21190.67984 111409.1536 99213.60057 106551.8428 127227.6984 126353.7612 93731.24289 105866.645 101971.594 100349.1178 102641.8414 79896.19622 87328.29065 84893.12233 94789.06754 80906.8746 88417.0779 123245.7817 113128.9336 102305.0859 89657.49539 95388.24701 35709.3169 195026.9275 27633.40751 73264.9143 49985.42973 71493.32999 110405.1092 19937.40193 109926.8665 53381.64914 219307.3392 80067.67564 37856.00749 27802.04325 93586.45282 163068.9266 108325.2392 29367.87073 42997.40818 176797.03 19701.91369 85327.09596 62455.04134 53012.25502 84590.86974 39504.11556 125303.1787 133998.8078 31295.74774 272072.2386 111160.6376 112808.8846 49252.3435 23121.92141 109166.9708 50268.87803 27537.88836 24614.82905 56271.96286 115122.7808 132919.3665 21840.32187 35171.74147 53721.28318 52183.25598 27031.22478 279242.9643 99792.8831 92245.29503 24992.29057 113620.5949 70297.28441 27680.26311 434276.3259 278743.7833 57593.83871 158616.5841 46683.9206 84339.13034 64962.12305 60322.49335 64916.28213 88461.30611 27489.72582 262489.6414 37634.70488 36424.71801 28388.5664 87515.07085 64924.73631 45430.9221 44132.09053 69091.30957 66829.48445 26096.42049 19923.90456 84429.46054 35898.2489 37488.58629 26060.78623 59763.27721 61208.66867 57732.52638 27207.15299 38050.89441 57879.98042 80940.45103 27045.22065 43520.51452 31568.95182 52868.2128 98196.73674 116746.4068 34235.27927 45459.74295 203839.1673 16371.63769 31573.46146 30221.00678 76001.67282 71778.2701 134457.9492 14115.32598 50331.82106 23805.9294 62074.09311 22283.77392 77274.88669 42626.97412 24537.59798 120327.5822 121630.301 88219.61013 100104.4097 25177.24494 67846.90242 68847.66147 30739.71518 69297.71368 26227.89334 143489.2352 83229.22714 23104.826 36720.42638 33963.42207 29550.97448 54678.70219 26510.3892 141348.2001 61661.78444 30195.4469 21039.31123 120403.238 101307.851 54661.84819 21785.30262 61740.83634 32834.98672 201649.9416 57966.3161 81964.09636 56532.36784 63714.94797 72590.62625 30682.97494 60997.17461 31034.86148 112916.3268 134399.026 173336.4257 40424.35219 94449.29754 30947.52346 62200.61664 67418.12039 26961.87147 69449.56584 86354.90064 24282.3325 174417.403 m-Coumaric acid NA NA NA NA NA NA NA NA 3735.812555 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5284.105768 NA NA NA 3339.573673 9608.226554 27698.65085 14594.53353 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4-Nitrophenol 17443.59047 26835.2958 50226.57311 6330.166226 18727.89101 28256.78191 71809.4786 70115.87161 91870.04819 79736.28581 93137.58896 75911.32872 72242.92517 75674.99523 61764.21348 71930.16526 56995.02886 54131.40726 58267.19502 56395.08835 70798.09139 50412.61881 64901.51081 53587.75125 60241.91473 24744.7123 101092.2634 29071.16367 108378.2226 36338.85867 33427.28402 35924.91169 29123.35135 72420.04422 36963.98237 103809.276 27579.39724 320712.4772 107340.7363 30597.33369 22306.9163 40147.70782 208467.3167 42003.44811 22549.70584 36045.6993 155373.8602 25955.00058 33381.31534 38608.22732 32242.57756 117388.359 45227.98299 166427.1389 415124.3294 46518.73382 126015.9794 70118.81965 163440.7968 52865.28203 18689.16465 97311.17966 47518.5114 30312.29978 29170.51868 28296.62005 67836.22633 138288.4533 46719.96421 50437.77362 71618.88052 129593.1973 46519.82757 129682.9245 29621.51981 51636.07548 29893.39258 98886.64425 38036.90466 40047.5671 76971.72552 53020.9203 43643.71322 49130.96659 37419.95802 48316.09091 34217.97958 25446.7699 29827.54147 28222.13907 21443.5603 173216.4358 31894.54333 56731.97218 31461.758 61856.88258 29534.51553 34401.44772 86962.76472 43466.90721 35706.6184 46525.44261 36638.70033 277895.1617 43287.58023 135644.3326 51549.63337 24651.849 70204.5214 120510.4522 34915.19281 26269.59174 44941.22704 120243.6005 26004.6926 36363.23725 24439.48994 82593.44514 173336.8311 76571.46591 35475.32551 36862.51971 263097.6826 37276.02597 21563.7091 38985.74149 98810.37408 34109.07438 180534.738 32620.64959 48231.24635 NA 68766.40554 35809.02291 81046.61869 24860.21924 32373.82883 82506.87978 48002.94753 25070.05579 79609.25254 42762.96258 131659.172 54429.49083 55190.66099 56531.7448 31543.10352 61510.46419 61763.99371 NA 32478.54282 51570.6943 32378.99449 75916.38432 23839.32687 98300.34927 32554.80754 24683.72154 27992.53097 101916.0126 35881.15728 31215.97352 42539.79131 43323.1157 31827.79677 118862.8053 36396.65135 86041.42994 21071.47654 21493.95222 37844.20324 38808.57337 48252.73273 52839.54774 90203.9203 85067.68659 207805.7393 22392.85461 67916.36636 NA 26725.7756 39976.33845 24135.87734 44295.82042 35094.48289 37636.98883 72250.88922 Indole-3-Carboxylic acid NA NA NA NA NA NA 5347.20256 4167.062835 6771.712611 6056.955727 8066.379121 5988.157213 5257.519183 7391.793902 7781.486699 5324.61954 5083.451547 4517.764735 3654.828019 4690.508503 3691.539769 5607.208059 5076.612106 4722.692954 5150.282912 2079.591772 10097.08458 9183.870522 8409.474716 1680.664193 7544.468264 1989.929967 6713.189057 3967.164673 4084.561843 6163.131175 7941.197104 13498.67245 17734.24174 3628.791889 2797.87188 8188.164763 5993.489343 4166.107145 2171.713915 5800.25194 10533.6528 7957.068718 16728.11728 9227.142288 2173.230802 4097.243496 2478.940743 22680.66773 12911.45774 2473.238753 8863.462313 6295.578395 9928.745285 12316.03764 2674.27054 4555.3548 7097.256525 2017.191861 1753.084455 9645.282252 10220.52221 5880.108623 1813.580739 7711.239541 6276.608968 3073.300116 1217.1557 4730.846107 5823.131879 1560.918758 2409.635241 3528.998203 6042.720195 2910.231862 4885.195001 3402.599032 7066.787047 5411.767924 2134.232136 3454.765671 6262.476038 3400.54823 7921.071515 5926.493053 1969.844842 10356.39273 2847.303189 8400.112202 2411.367466 9312.49438 11437.08382 2560.564921 3908.580678 4804.085405 7141.529659 3519.2095 9259.915204 10498.5113 2163.638766 15467.95527 2498.899807 5799.190513 3996.426543 6344.807149 7127.58894 2215.441619 7413.009191 4509.284038 1775.209464 7772.672121 3247.174383 6996.493515 9263.298579 14136.58032 3486.527409 6696.541373 8854.663324 2751.458635 1508.097716 6879.434289 3613.218359 4484.885539 2920.908862 2205.089185 8064.422954 2045.661821 9483.719625 1209.779672 7696.381375 5718.174054 1529.696562 3903.451778 4430.96592 8682.912491 7241.824885 3155.108573 4556.26836 5038.80766 1954.677556 17558.81541 2607.756799 15357.46864 10743.26566 2257.293163 8817.654162 7091.324309 3356.384688 2850.195889 1890.228298 8839.829566 10032.62488 7225.097485 3785.827619 8373.78579 1954.338496 3125.028087 2166.379767 16024.01404 2185.412222 6362.561048 9952.371648 5843.34259 1940.994408 3892.300786 2803.852803 2090.430972 5989.911344 3648.632249 5916.954991 15535.32804 17747.58515 3234.047046 3052.487686 1498.986988 6383.787107 5119.657499 NA 3148.592463 5333.291831 3117.793222 5347.462209 Indole-3-Acetic acid NA NA NA NA NA NA 7598.560735 NA 10462.57403 10478.18402 8088.658098 10068.53328 7827.055307 8119.692814 9445.782271 9227.467742 9740.330323 11437.50127 6625.834301 7013.04813 8871.064626 4555.317506 9426.997791 7910.334115 8900.070537 NA 3485.003493 NA 3345.088477 5494.844926 NA NA 2901.763093 5625.083858 81108.69499 49076.81892 14154.83584 NA 6934.623282 11095.91876 9950.967276 NA NA 22398.53177 26337.03989 9644.454539 NA 21150.8178 NA NA 6405.819541 NA 4778.738675 NA NA NA NA NA 3132.077845 NA 5810.97216 4531.948008 2611.756645 5728.677844 6420.960095 NA 5458.649387 4267.716046 NA NA NA NA NA 6424.32653 NA 8055.885589 7911.550517 5943.382403 NA 12429.75128 NA 5040.379821 NA NA 3941.059205 6992.561235 3630.278926 24885.56122 NA NA 4075.865866 8318.65083 13883.33082 3399.735389 10060.1776 NA NA 4433.398963 NA NA 6898.765917 9612.475564 NA NA NA NA 11473.93329 NA NA 5128.544583 NA 8140.178046 NA NA 4522.475297 NA 17502.31603 NA 10583.25053 5401.662404 37223.02431 6390.581118 6718.128763 10785.50463 6783.757901 NA 4973.229199 NA 6815.4684 6044.784818 NA 6331.30506 3664.703964 5046.848099 6517.166636 NA 11727.34823 5332.513155 NA NA NA 8031.278059 9118.996101 NA 7955.097982 NA 11818.35948 4190.38107 NA 6394.504418 NA 4684.821549 12970.03168 8224.152693 5802.20146 5521.305059 NA 3451.073975 10776.50198 4624.957804 NA 2396.279697 5468.062114 NA 10366.9726 7164.775437 NA 5708.75358 5439.685557 NA NA 10541.74361 NA 19441.48316 9850.934132 7690.908805 11332.63979 19693.82648 6858.965069 11800.55088 NA NA 4204.093998 NA NA 11248.18816 5779.415926 Bisphenol S NA NA NA NA NA NA 68083.80503 60048.30574 82145.36624 93305.61369 91080.16052 73286.58942 69037.76838 77872.25965 81401.52939 72796.09687 68387.81413 68265.74035 49056.24415 59861.45841 64283.74536 52448.17957 83273.14903 63615.65138 44835.87269 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4136.980648 NA 8124.431525 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2356002.352 4413265.556 1785285.987 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Methyl Paraben NA NA NA NA NA NA 20989.51851 15900.28448 22644.74015 19361.60625 20085.09481 20566.60132 20187.78404 19457.18279 18590.63384 22672.94254 16738.96974 10270.86014 13901.67978 15861.76869 20269.86418 16926.3352 17188.16619 18662.46724 17708.80826 NA NA NA NA NA 9781.827504 NA NA NA NA NA NA NA 15586.74759 NA NA NA NA NA NA NA NA NA 11399.51707 21213.57869 NA NA NA 67695.08932 NA NA NA 22718.0172 NA 15274.15226 NA NA 10652.14848 NA NA 15927.41188 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 29990.87917 NA NA NA NA NA NA NA 12004.1698 NA NA 20669.62604 NA 8648.662203 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 15545.65894 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 16160.94103 NA 16045.57897 26677.25821 24585.17095 7985.739672 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Estriol 16alpha-(beta-D-glucuronide) NA NA NA NA NA NA 6319.832161 8556.79653 6879.331017 10835.92655 9540.007398 5226.942227 4219.848618 7725.91733 8108.3191 6777.107225 3875.671411 6374.950947 5982.639186 8201.688641 3995.890275 5043.684065 7104.186634 4781.110536 8499.376594 2068.382355 9859.194441 14131.70941 22200.30217 1816.495735 9471.881204 3201.005123 13534.61654 22681.26051 1702.238191 25137.30055 19536.9794 24578.43532 14869.73146 3271.147659 4613.716384 7447.851896 21890.26475 14118.67657 3193.093666 9252.483228 18384.93108 1872.430002 14708.61621 14258.58105 2203.933807 20147.95535 2786.343832 13731.34139 6986.651427 2163.800407 13032.15983 16568.56398 17832.98884 10714.36596 2628.031009 8489.453354 5514.380855 2581.209436 2100.934987 14018.00615 13542.96371 7044.098 1967.261583 8837.538578 5949.227586 6414.456905 1466.758802 19234.59154 17471.01961 2890.703022 4008.910772 16863.62516 7277.735113 1425.05936 13679.46194 16101.51181 14863.99 19930.70607 1986.878118 9555.532619 15048.81042 1926.330352 7775.836848 22176.72092 1567.435077 9675.338237 2631.76819 6460.564334 1282.019107 22694.50379 18624.62011 1756.014992 4707.169147 16381.36131 9695.165489 2233.188936 12725.59599 22622.20098 3379.879443 3463.702581 1595.946442 14333.53485 4433.64533 11895.65084 12416.28081 2671.407971 7094.488307 16708.76774 2088.442306 5983.790001 3499.727992 4967.582875 4246.790868 8627.767902 1971.262577 14228.20368 9061.132319 573.4494017 2354.565179 10422.72109 3300.371019 7143.772733 11496.53253 1756.05317 8829.782256 1412.573852 7664.654796 2133.09065 7359.33619 11507.64617 1556.086699 15220.27124 16949.88517 12325.47686 26943.61357 2516.41713 7829.116227 16261.37461 3860.632379 9786.497005 3209.020913 13305.58441 19160.84471 2678.433204 16546.94368 11483.23022 3719.296048 17614.06038 1766.331457 14030.51157 12157.15681 13050.28123 3600.237915 14597.92957 4365.535329 8274.480561 2142.181348 12625.56433 1738.735303 4087.678512 12060.80001 10922.92625 3856.235823 10421.25617 17910.59537 2353.54838 11116.75834 1613.544444 6572.410439 11242.56842 28723.99362 2289.588614 9854.490242 2501.618396 6162.686757 12122.08567 673.1495991 8481.794321 11686.70275 1577.204172 9920.33635 Salicylic acid 62839.73443 35790.19168 92897.42402 45101.23667 31785.21204 66561.87626 442456.9864 426738.1713 341213.4524 306143.5197 281864.4128 272886.4531 344990.1193 319248.2469 205261.1172 336674.4695 192060.3255 226070.1678 308217.7125 225307.3003 346565.7613 190519.1201 250268.6863 329979.3626 321066.1968 46106.67595 90731.66299 78535.75617 502709.8218 157831.607 211578.7836 127907.3913 121659.2859 305890.881 67888.86129 308028.3337 102429.628 828007.3699 636330.2492 139454.4662 66739.49542 149016.7655 615929.8608 248286.3512 75413.3828 186987.5574 607056.8297 157197.6925 127028.429 207878.5525 113929.2722 403906.0513 83278.61194 150163.4701 114924.5246 133096.5214 509244.8021 416331.7115 323400.7214 129235.8167 107398.2974 241519.7973 146629.0767 139693.6744 98730.91756 81902.74352 140928.7427 139007.9125 84194.44527 137806.5619 270493.5886 376131.5442 133702.6901 613565.9486 238078.0936 266321.4673 240625.9178 419233.1311 444806.3042 207067.088 282070.3157 460397.4079 366955.7427 372122.2162 144831.8569 326567.9537 228235.715 82043.00178 148946.2772 109520.8496 51923.33303 159900.1826 194171.6255 156045.2809 103543.2649 254446.7214 139822.5541 153964.167 418286.9063 224506.1422 249196.6676 135454.3044 210667.3703 181488.8825 186218.3621 206072.1078 126831.6402 136636.7317 257582.4482 97845.41944 72427.70343 66882.39046 148587.909 418588.6429 77127.66219 140935.8409 104578.7479 239767.7978 1170325.134 180854.7472 124129.6026 166242.7872 118094.2314 86381.33222 71133.83114 92089.62818 82275.14132 130243.976 598104.163 131390.1253 400372.5335 750434.5514 618421.2296 86900.12397 91979.66857 63431.92702 88377.02062 204089.7091 576273.8864 208844.1838 787045.417 201347.6225 111028.2478 141765.8587 81359.03773 99171.75097 104429.4974 102819.5303 317311.3826 379887.289 236345.0876 72172.99225 126471.9767 159104.13 59683.17758 55001.35846 47010.3384 50120.7419 61414.21051 128528.9497 186966.4884 110639.4358 45574.27583 40352.08158 111331.6272 109011.1534 120642.3961 79674.92306 90181.92188 135002.5261 282498.3551 171023.5379 212160.6258 133794.6169 742553.7849 178177.7895 144017.1314 79143.69835 1340928.908 1074896.355 533171.1818 190198.3529 56818.48301 189156.7079 107690.316 107332.4216 131903.9477 MEP (Mono-ethyl phthalate) NA NA NA NA NA NA 3883.585541 5755.033463 5861.857754 4915.381437 4457.127824 3391.630615 5094.424073 5207.01441 2739.688749 5451.580078 5093.347238 3262.901054 3950.945337 5723.933073 5146.938607 5292.038475 5510.624999 5749.474133 3643.517054 27569.15787 17567.62802 21438.02058 6064.973526 3730.090812 19643.64292 3314.126961 4105.665391 5593.003575 2470.947685 5958.164927 5315.762786 5496.371867 6517.65318 4208.545053 2151.285061 3196.787828 3871.038757 4143.93393 2176.406842 4577.717574 3379.103948 2591.546894 6092.9038 6778.249924 2024.164221 4023.849845 5509.998066 5773.143341 3499.179719 3355.359726 4443.53261 6125.360317 4530.111119 5218.366314 4725.313643 4335.24533 4664.726593 5670.562648 3558.377478 4760.960495 3408.618598 3349.293245 2877.654426 4980.726611 5607.929098 2838.024031 2242.304576 6844.10933 7459.280215 2918.488044 2890.299875 5529.180756 5844.209494 3146.40306 5061.465687 3638.354339 5112.962871 3366.05013 3044.668158 2542.780589 5833.391167 3841.194918 3283.947333 6628.361765 4369.305485 2058.683189 2182.05783 4423.557166 3874.366932 3855.051176 4024.200991 3031.700365 5515.656685 6459.024618 2446.372416 2353.402472 4266.76115 3657.797405 3931.193817 5103.402977 2736.295652 6379.093197 4037.1691 3870.569339 3341.325165 2730.494035 5771.211006 4417.993736 1678.647855 4681.466362 2449.451072 2846.325082 16358.84083 18538.09194 8820.704274 4817.715372 5058.860482 3263.230868 1748.263325 4312.572162 4246.954732 4965.975124 1799.651849 2457.229986 5158.373939 3321.517405 2415.572041 2174.376881 NA 3044.646308 1669.524187 4531.25286 9499.753572 5362.064071 4610.422702 2869.434071 2222.845348 7567.029602 2332.541818 4138.722253 3032.220998 4025.234512 4732.400565 4072.444673 4601.671608 3347.878908 1698.044936 2762.82138 2461.010373 3606.561326 4162.872415 4022.889146 2468.620423 3717.432368 3671.724865 3319.613331 NA 4112.608095 2867.391651 4421.494858 4667.484486 1868.108782 1679.24498 2673.610389 2862.240912 2849.09327 5900.445324 2705.351784 3643.980579 3352.889553 4948.084092 5322.449251 2676.273251 1715.15455 3513.176072 4556.112487 2488.200661 3871.094138 4269.269733 4633.074088 7254.741008 Caprylic acid 39706.46234 21806.07876 20866.57602 26847.20204 33605.11623 25301.04725 463146.1803 446202.6358 491260.7885 499008.1909 563294.0189 488431.7102 505133.1818 544125.4035 496529.7918 470241.6281 479200.832 432617.4889 471337.3874 492674.058 444042.6128 429751.4562 491302.5605 504436.2714 501522.2188 49157.61959 455271.0226 391461.4083 540223.2764 31779.54172 464666.2537 58848.77266 569276.5545 515543.4694 40973.84165 442249.2673 486230.9525 1093036.587 1058868.575 59773.67441 33609.87168 764492.6802 780549.3375 295670.1184 28749.49622 278386.785 898928.6476 31433.79567 548419.9574 604797.8013 59589.66828 478166.2992 49039.8749 927196.5624 720040.5054 74886.71368 1265538.089 782413.8963 655429.3945 437689.1106 71843.80487 592541.508 336638.7166 56581.49885 47131.61735 450215.6251 549243.6375 423275.3585 48543.19644 337449.5907 361100.1852 203078.8881 29304.91144 1140706.415 665262.0169 93703.32274 87185.77704 573904.9204 452918.2346 54816.35582 398798.1221 490585.6118 464691.6395 470370.9281 58626.30578 519812.5824 499239.9203 55169.04097 616806.4754 817153.0649 56603.97514 567589.4656 125466.2588 275355.7395 47915.27176 580520.3747 391295.2588 49291.85159 190811.0321 314718.2703 343444.209 56835.967 299777.1075 990798.7583 91977.04164 466504.4689 57036.20689 497180.6515 303326.5701 547411.2626 311177.0335 61194.50199 452901.518 397157.5077 45346.0355 525541.0457 49274.26845 308696.128 918431.2783 1109259.35 56447.52458 273185.3514 442834.5284 42403.351 41491.35871 311759.4431 429470.845 403229.7176 447508.7881 29527.01034 360019.325 47283.95579 306483.6415 58495.62387 702315.0735 299323.0045 38432.24761 480167.7428 663422.3746 822679.6224 551942.3444 27910.19125 520173.7189 416909.5858 52257.6062 720540.6764 37781.23336 685213.6763 579657.0704 47265.1117 441755.9982 299428.4412 32219.73496 247973.8522 44350.47116 533824.5553 489947.1252 306644.2025 42814.4342 627309.1124 316357.2658 271539.1895 30689.21596 629303.7357 30210.10608 489379.1225 364229.3586 356863.8888 50556.85459 256211.9314 287517.848 37307.66759 416260.2376 41851.90095 367406.0553 662874.3723 695176.9686 43166.88191 359586.9067 41416.67995 369931.927 488947.2985 32085.94051 379213.4523 527769.84 58001.44394 872929.6557 Azelaic acid 164194.9843 201997.9394 255359.0947 101368.3517 186009.322 173300.8057 1097064.022 1016031.661 1033004.601 1060866.709 1239113.343 972482.3373 954569.9818 1042472.181 1004577.949 933808.0728 897706.5433 853623.5056 857695.6596 1010501.795 841441.2632 787515.2208 1039062.542 946350.0005 950902.6746 338367.4917 665145.2478 321247.3585 1868472.122 133423.5462 963345.0698 189357.762 1119488.607 1557040.931 124162.2854 1457973.03 828981.2376 2453247.219 1480874.405 199212.7931 116964.6058 1705404.597 2378637.251 658184.0821 155139.7286 547877.3369 2555397.14 130473.6425 697579.1767 1032293.53 214445.2061 911714.7835 202586.1539 1394247.786 1287340.991 142706.3065 4061843.329 1614459.181 1007525.588 430433.1294 118222.868 844786.2381 362722.5662 137309.6941 142922.0533 401584.2307 714313.3886 694619.9983 70504.92266 219147.1556 535055.0205 410013.2802 130537.4199 3445953.139 989139.3225 399520.0694 130677.5366 1274099.783 663000.2936 148134.3351 1772412.135 1170839.422 327719.1015 656664.9164 160926.0638 747078.5437 582743.809 278528.5888 425404.4326 767567.7794 142708.4461 1251973.277 159696.9876 290098.3686 133939.9039 589035.3554 410601.189 170749.5677 216395.1444 529814.9415 288301.0574 92812.50549 123897.2671 1179857.953 186542.8405 411637.0048 144597.6906 492241.159 369982.3192 599051.8047 250068.2821 211929.6925 745046.453 930632.6446 146291.5895 697036.2543 151462.4106 545192.8914 1293342.724 2184387.815 171053.2996 404803.3745 1274792.188 119232.3883 150741.2234 307635.297 603585.9363 765468.7728 1517216.992 42672.82374 397214.0081 132007.2889 386475.759 91474.23328 867689.5992 319800.9187 103069.9027 1419265.965 1401373.398 1069831.813 924933.689 99682.6267 595853.1267 474717.8641 180987.1803 764372.6211 96640.49143 1013540.27 979854.6489 140986.455 459052.7026 256310.627 166037.2026 345012.23 127746.192 926425.1455 528984.2485 259842.8209 109620.4644 1108482.574 761115.4493 344429.9264 92914.20157 778922.1833 119212.7142 1385572.426 520792.2224 623032.3642 285596.479 368972.636 469269.0311 128289.6931 682219.4493 135490.5008 909538.7163 1489142.203 1657959.893 175033.2726 910731.309 134565.6791 623099.9592 487344.7381 125465.1478 535921.6259 807071.5913 171269.577 1860059.134 Cortisone NA NA NA NA NA NA 27958.3299 25694.53869 30556.61039 29694.67242 38791.14441 31825.89719 27616.66242 41467.19408 41965.17549 33961.58054 41279.53928 24792.00622 25391.5532 27961.87959 38150.20709 31203.27124 34239.40239 46286.84352 27935.14123 78297.30651 40484.08928 35059.87645 46669.05692 58731.80748 22256.10261 87093.96917 25563.49276 73208.95193 51446.39869 34459.89773 15847.77878 90423.86462 59812.14594 159044.9864 57219.86541 26060.56578 45938.76958 46184.47297 56673.2395 28863.14509 47432.6425 71910.09376 29937.35733 25100.19385 68790.05 50465.55634 84565.1194 29182.41334 31511.43871 60950.61913 43496.71343 26455.21076 27827.57471 16718.83866 47722.23886 63552.19824 43345.55572 80097.52321 47880.50051 27152.67786 29771.29411 45529.64027 60196.06843 23100.8093 NA 43520.26755 55374.14328 34167.19828 21333.09594 62878.32449 141401.8962 66044.10742 47344.57911 70231.03289 32241.02135 51603.88032 27334.23564 46476.72677 86582.40999 23037.76231 NA 27393.66829 NA NA 34266.08983 22381.85605 27403.30294 19897.24756 37793.57972 25895.62638 16719.3357 58486.55862 40817.54078 27288.79694 46438.28768 94779.46078 40751.23691 38149.23359 59462.86144 23480.13791 60486.44255 22085.3039 42182.89629 51141.95622 39225.33421 87319.08939 24522.61837 34324.96014 58546.93551 28912.49414 132200.7608 53843.74555 33137.98928 30626.25379 51389.3036 23400.03253 NA 34381.85609 37451.31087 17467.56559 38531.36627 16528.59145 58572.42367 84225.97049 20406.24737 31031.08494 24371.57674 76580.0416 46445.71684 25672.80932 88250.83376 52132.11838 25359.08691 200010.8863 276490.7265 48613.54302 114715.8698 40540.15109 121922.7579 27277.46246 125230.2469 29608.42134 45588.47059 65772.98696 36270.77497 18273.58812 44707.07812 27425.89028 115390.4312 54092.15914 34558.03695 38869.4187 123241.3654 58669.39646 42789.2136 19029.11103 48049.8571 17800.75029 35161.8397 38406.16711 28584.02902 50181.0314 59888.56162 NA 24010.1155 54875.76343 31195.23673 62857.13822 45949.39476 NA 36836.84717 64926.67084 40479.64611 55142.59371 26931.67485 15188.23146 31340.44138 22608.05936 32930.59001 87732.55045 50657.94088 Dibenzyl phosphate (DBZP) NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 14854.22231 6730.365232 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2,2',4,4'-tetrahydroxybenzophenone NA NA NA NA NA NA 9406.094101 8779.866111 4582.036847 7520.438077 5226.694337 7469.185247 7005.962133 9053.445451 7738.531448 6313.489756 10488.18595 7311.164331 8599.112621 7424.343181 7682.279498 9825.866098 5585.621731 8546.231532 7618.35477 6743.970938 4674.081217 4385.056425 6598.271379 6787.088651 4919.265722 27075.63819 9101.228943 24077.0668 7642.670406 4154.642562 3698.746857 31843.56457 19450.85301 40913.09921 9477.187179 4377.24313 9846.970616 29848.95381 32925.42788 9464.448781 5172.353646 4152.6407 3408.428936 4659.832239 4750.002436 6031.950032 16259.74703 6277.082381 6921.000184 32941.15105 19868.67214 9698.729627 8606.142809 5694.013492 10074.26773 15916.24645 4651.848737 14659.96168 32593.90303 8500.682056 16358.25606 5394.409851 7929.346497 5962.492893 32350.46481 86340.52673 117296.4792 12896.63692 5740.394903 18894.85287 3979.35591 4519.521295 2646.35548 46703.59715 13059.47167 24071.31389 3971.974533 4089.491736 3833.215434 18198.27597 5910.259817 27000.52681 4104.943134 6513.934429 10026.67823 4273.185169 6450.733307 5437.934189 14282.89538 9969.951641 5580.820592 31124.18618 28177.76835 14166.6137 3790.584658 8119.399318 2592.72674 5276.499397 4973.010582 4707.498844 5094.66012 3475.098496 4290.910159 15899.79376 14046.71552 23083.15449 3527.710924 3584.339815 3737.767187 9431.348654 18207.26417 10427.00389 2944.784028 4306.845433 2786.6429 7245.810105 16178.67878 18524.14795 9888.97866 4544.82046 7657.125647 4274.183549 8079.862266 3117.382523 26990.35465 72598.70138 57466.34605 6665.933715 3738.648767 2336.133179 5632.624507 7918.279756 2671.90282 22744.19446 34957.01 4655.341873 8373.513295 3793.206122 10720.59477 5329.150257 9548.936817 4398.494372 4723.57958 7637.816416 4950.691251 9045.873904 30058.29364 21022.22432 2507.112368 NA 5302.771696 7314.475831 24361.51323 17314.12114 10660.23265 4383.582324 7899.05232 5373.21108 9556.292083 8352.954974 5266.577612 9649.151029 9411.990865 7016.969161 6482.956293 9942.274374 9963.682857 25646.39437 18214.55981 6958.638515 7418.98436 12892.30464 10772.79838 11572.94095 6020.878014 5575.994436 8170.009118 4986.872647 NA 5031.918144 5900.796911 Cortisol NA NA NA NA NA NA 86693.43121 87491.35541 99030.3946 96211.40842 107392.1974 97439.5469 103388.0859 86145.4738 95210.25214 89084.34073 86151.36276 94326.58793 79580.62346 89868.27571 87534.56813 89293.30653 102169.9123 94600.97556 83020.43212 123263.5202 69404.20673 36538.5676 85859.87008 156698.04 68568.56838 210542.4049 48388.42069 154725.6815 130799.7498 84593.53149 42590.2115 56782.46662 51051.26833 108425.2125 144276.9261 42947.30279 93635.66073 87242.87664 125543.5153 42852.50223 122577.591 168513.6327 46134.19347 66920.12569 235130.5624 151478.0032 385875.6278 133616.1224 124850.099 137015.1411 72603.12232 45510.31363 91573.78732 55849.16306 206882.5961 79633.90504 38022.55977 117004.3691 207962.3531 56777.91074 92650.83197 97968.23579 131220.4012 49934.47229 32657.42151 87150.9934 128384.7497 112154.5044 46259.986 208771.5614 250843.8094 120191.4334 81344.39785 180007.223 49268.46277 93048.58861 77221.23906 144967.3634 265821.6373 48839.55606 36206.37366 85580.99743 25995.74837 51996.97649 79964.93716 43075.79032 62829.85356 26919.05878 197134.2456 106531.0888 49851.13574 125739.6273 89377.44288 39390.26497 110765.3775 196976.6009 49038.17014 57972.01862 105011.2441 35116.6062 547414.8526 151678.1214 313340.6025 56157.69573 40003.75573 103641.3436 45986.45911 92897.40907 140827.2246 30331.34375 165292.4264 62905.47249 93895.72364 58895.95591 157522.78 24441.15498 45656.22432 87484.49075 91631.08709 35889.42125 69856.54772 70705.11439 170169.1912 339653.6853 63883.89905 166450.597 103876.8711 285238.4796 130581.0698 66760.00898 114906.6982 68397.59003 36662.88849 29523.09052 44017.90834 116035.8038 300303.4764 76048.04982 312379.4625 145896.0331 283101.883 172630.3876 115529.1981 300664.3623 73645.17817 62327.66855 186794.9286 110884.7974 436856.9758 205312.8534 121135.8447 64186.41207 271737.045 137209.1649 39736.2959 16646.01238 52037.57017 37571.68455 152619.2635 137151.5152 39576.54558 125795.6486 141764.7605 32955.80528 50604.74323 156490.8819 31312.5413 95685.31115 60992.70381 52321.24383 103038.3776 201739.1589 65850.06246 99670.96426 33911.84959 24250.21728 70425.85879 45052.84656 40704.21404 128256.6004 74560.80708 Bisphenol A NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 183575.2892 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 83932.77388 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 61490.26318 NA NA NA NA NA NA NA NA NA NA NA NA 52372.7103 NA NA NA Dibutyl phosphate (DBUP) NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8345.567284 NA NA NA NA 10915.75741 12958.96821 11841.46053 7922.974317 5186.067005 NA NA 11850.28377 NA 13058.75281 21429.19806 11785.12937 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8244.973952 159910.2332 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 14973.27824 NA NA NA NA NA 64805.48362 NA NA NA NA NA NA NA 13598.27105 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 56030.16926 NA 21279.84244 NA NA NA NA NA NA NA NA NA NA 48681.97654 NA NA 15824.71493 Estrone sulfate NA NA NA NA NA NA 10370.26798 13966.33089 15170.07817 16747.09099 19979.54245 14046.91125 15410.01456 17882.65659 14291.0532 17776.91135 10891.58105 15062.62921 9684.132187 13908.64418 13898.26538 12826.74584 14375.69795 11566.94573 12897.98494 16279.83582 6793.522645 9703.955334 NA NA NA 12719.64076 NA 12067.39341 31247.82784 23967.7024 15870.90271 NA NA 5214.755521 3827.046997 NA NA 17091.14209 21447.97359 10519.46342 21442.32629 18786.80164 NA NA NA NA 13103.75861 NA 9927.411305 6269.670509 NA 4736.552863 29099.64695 14533.82306 57757.24593 11166.4995 5391.740548 17890.06105 5774.665276 NA NA 56009.16373 71478.72841 26162.55821 10234.50937 21019.69299 25976.67143 NA NA 7088.045525 12256.50026 NA NA 10096.012 NA NA NA NA NA 10605.48706 NA 10965.94515 NA NA 4377.885827 NA 10689.27267 NA NA NA NA 2974.742321 NA NA 13415.95509 18561.12393 NA 11090.60161 20133.24359 8190.934081 NA NA NA 41970.50253 30546.95155 83443.09701 10103.70006 18787.98363 34086.63515 NA NA NA NA NA NA NA NA NA 8310.814048 NA 8335.005914 NA 10705.46876 522390.9045 NA 8519.25008 7893.06861 5556.417626 NA NA 12678.86448 NA NA NA NA 8197.769309 NA NA 4845.606953 NA 14071.13159 NA NA NA NA 3452.661197 4819.555411 NA 227340.4641 112534.6944 55639.6985 NA 9592.313182 7498.860974 NA NA 4571.455583 NA 4607.585529 NA NA 7912.007047 8478.492465 NA NA 8543.486694 7780.69216 10610.44252 9812.0726 NA NA NA 9497.019084 5249.040631 NA 16607.02115 42164.26871 27899.21962 NA NA NA Perfluoro-n-pentanoic acid NA NA NA NA NA NA 4557.363343 4545.405179 5635.655503 3758.07456 6289.394419 3936.463717 4630.184786 4512.082116 5245.172747 4972.516781 5532.584816 3972.389663 4056.130979 5468.321481 8043.933707 2390.376122 4903.365162 4573.692962 4739.56197 5934.511428 5063.454305 6185.628741 7152.060803 4385.13162 6022.776968 3947.22482 5843.531724 6059.949871 5628.604763 5819.480325 6965.154988 5748.634226 5771.959984 4905.601119 6976.253208 7704.452663 2689.297252 6622.545351 4011.283958 4746.239326 4106.260174 5189.449588 8611.901316 5343.192086 3507.52714 5841.031404 3776.368683 3818.40453 4191.466691 3909.360427 3798.437697 4871.730896 4611.916713 5959.464246 4033.227917 4726.008163 4758.872969 4969.678091 4012.996029 5520.52186 5069.280267 4420.107723 3953.154104 4741.985695 5838.831891 3668.877457 5364.325119 5698.689105 5117.499996 5446.346172 5052.490315 2564.910615 5224.846399 2214.05176 3453.118644 4429.058007 6699.430879 4151.687541 6244.188037 6455.232527 4290.318167 6214.741121 5637.228244 5804.009872 4377.154739 11554.20999 4933.099009 7344.827874 4686.369406 5784.780006 5552.051046 5572.261801 5651.545432 4243.682157 4299.333826 5723.669707 6749.503545 5049.216738 6780.222862 6074.557578 6458.448966 7878.365926 5435.956221 5378.135726 5170.490805 4443.923029 3214.54805 5457.54207 5201.389443 5227.496161 1460.707984 4346.411791 5587.925045 6054.671868 4271.091126 4186.294284 5621.757976 4792.112055 4059.373259 5664.025741 4461.532414 5359.075991 5977.302502 6154.976236 6239.096967 5579.569 5453.162937 2627.616738 4901.998991 4085.539799 5414.583981 3113.677671 5813.038635 3285.423966 3694.770162 5341.222126 6136.503646 4305.040564 4102.852703 4807.897357 3361.840327 3681.061698 3536.868235 2348.734587 4310.591408 3956.487044 3053.791254 4171.907522 4331.812445 3392.9389 4212.702786 3409.421713 3723.976229 3860.131687 2843.419216 5421.638039 4319.423427 3653.204224 1882.510544 4133.744804 6097.794162 5568.020368 3111.753788 3743.147415 3682.901529 3744.325907 4197.140104 1668.280459 4773.839927 4615.902134 6898.447544 5790.602957 6219.807619 3296.97521 2998.83458 5561.704262 3707.682101 4016.071096 6076.830165 5330.903154 4367.892844 S-Hexyl-Glutathione NA NA NA NA NA NA 12828.25812 9510.095529 14492.46858 NA 8912.349967 11602.92399 14108.0064 9728.526792 12878.47057 11468.61084 12223.95281 10699.40464 NA 8297.341663 11152.23377 14716.74664 9023.460333 10543.08242 15173.26918 NA NA 6295.667291 17141.57378 NA 4397.490939 NA 5618.724245 17788.96668 NA 22684.28163 9986.471332 16823.80097 5607.743023 NA NA 7575.176963 18193.46172 21188.42055 NA 10338.16499 15865.9297 NA 6247.161815 7045.906697 NA 11168.10443 NA 3314.152388 5758.192733 NA 18505.23547 NA 10643.81553 NA NA NA NA NA NA 5620.558667 6631.040993 NA NA NA 5456.994471 8419.615498 NA 24940.44259 NA NA NA 14135.34911 8026.660342 NA 7286.146951 20192.17639 5790.563701 5649.660897 NA 13008.24043 6381.019121 NA NA 15994.61326 NA NA NA NA NA 6961.786114 NA NA 7798.454708 5537.303991 NA NA NA NA NA NA NA 8545.375449 NA NA 3553.401091 NA 3340.537955 9603.132828 NA 4328.16019 NA 7329.271763 7269.859714 NA NA 6089.981454 7593.076481 NA NA 4716.768976 7243.565506 8325.628795 19168.03019 NA NA NA NA NA 10665.94831 6364.409942 NA 16002.85264 9596.171651 8036.375167 11981.5918 NA NA 8275.282474 NA NA NA NA 14239.38577 NA 8614.627846 NA NA 5490.104393 NA 7134.42449 NA 6452.43375 NA 13698.90376 9551.655262 4361.974026 NA NA NA NA 5745.919161 6998.515678 NA 4297.531954 9756.683865 NA 7119.027256 NA 7674.965948 NA NA NA 15706.49096 NA 5883.712011 6863.844805 NA 6159.770031 3172.703355 NA 11842.32609 Cis-Resveratrol 128056.5196 13113.12853 NA 84058.34394 10015.01892 NA 40412.25417 34458.1211 33099.69387 32783.00456 45157.09072 30423.67579 29526.7833 28489.01917 28698.83212 29602.98198 29329.02261 23840.88926 28304.44559 23427.83386 32133.85031 24827.59633 31734.87959 34868.3338 36973.64282 NA NA NA NA NA NA NA NA 14201.38217 NA NA NA NA NA NA NA 31478.63807 NA 10958.13878 NA 50766.86881 NA NA 91456.39075 26028.80097 15526.07717 NA NA 296155.842 NA NA 14553.5869 29883.21054 NA 79318.97132 NA NA 88742.05373 NA NA 72578.53184 NA NA NA 57331.20832 36014.23697 18030.85492 16492.7434 NA 179974.9582 NA NA NA 46101.89895 NA 221474.3793 17700.55448 37868.16587 NA NA NA 84685.40956 NA 39632.68443 NA NA NA NA 30468.93692 NA 16393.74231 71350.08453 NA 16695.05166 49434.06183 21423.18287 NA 82306.85233 NA NA 218485.5227 NA NA NA NA 82336.77336 NA 38817.13638 NA NA 94036.74036 NA 31422.38084 NA 26832.70552 NA 38292.17458 51813.16566 NA NA 57915.3854 NA 124197.4952 17919.53219 NA 37516.5023 NA NA NA NA 70948.72455 NA NA 68491.64015 51370.12906 NA NA NA 89100.11437 NA 62998.52071 NA NA NA NA 280752.5657 75538.69935 NA NA NA NA 134148.1877 65003.94368 NA NA NA 63744.82669 NA 422368.6837 NA NA 125562.0834 NA NA 212954.0354 NA NA 66652.03631 NA NA 80713.06374 NA NA NA NA 92808.56416 NA NA NA NA NA NA Ethyl Paraben 2815.588471 3637.189549 4807.406562 NA NA NA 7913.423842 7990.696399 9560.128416 11932.96464 13268.43681 10081.602 11893.06898 10640.8812 8472.399235 5937.217717 5786.652781 7122.773605 8419.087012 8714.424604 8556.986845 8643.115779 9919.143218 NA 7906.216095 13180.14599 12476.91137 11806.78085 12025.37115 11164.94088 12072.84206 13997.60973 9114.430521 13302.36182 13340.67094 11392.10098 10620.30079 9195.781607 9805.409345 17805.36583 18427.20886 7019.720795 11508.94821 12974.48306 16539.49019 11404.60144 10342.9232 12713.81385 10461.47973 15971.5622 27017.33312 21722.63909 17378.44847 17478.94189 8607.041174 16326.55421 9164.967046 7634.691635 13500.61449 7718.980016 16217.32418 15164.54742 9564.77239 14306.70465 13984.76775 13065.38586 9729.580919 12195.84429 15179.44636 8148.298596 16543.23867 15250.40384 16086.83971 13791.34731 12939.82771 18916.07888 19395.12505 11803.98263 11340.19319 17166.57804 11918.67567 11607.01029 12225.13476 13305.47891 20969.24786 11168.1142 11059.6019 17070.4308 NA 6379.091437 12159.39829 14394.70346 20265.55419 14252.87834 16090.21327 12150.49621 9079.903544 20658.19517 18517.25357 10555.68934 12058.36949 15024.05585 6687.713973 11295.11003 13152.58735 8786.120172 14865.82694 12790.64054 9732.129236 7821.734875 10284.49356 11101.30941 11014.50503 8009.274216 13607.10457 8629.240988 13107.44605 15218.97602 14220.62559 14415.4513 9239.976267 7635.335971 14037.95026 10261.30246 12461.40497 4774.130089 13565.42236 9968.108939 10771.26097 13890.27047 7851.908834 11060.85505 9756.049381 13889.52684 10603.00204 8971.537082 11439.33167 8935.793419 9591.928056 9124.028584 8051.031554 10382.80907 8339.771552 10562.53072 25274.26001 6232.671193 8804.54257 NA 5665.430742 10634.7624 10309.75611 10973.47302 10949.09879 8442.573442 11588.70601 8663.098786 5662.227292 11879.98338 16318.7486 8872.839715 11830.73294 6899.633717 9809.545489 8316.964053 10538.70914 9160.165467 11832.60656 11049.14302 14290.63756 NA 5927.624752 9902.494646 5435.297257 11581.02602 7075.79318 8892.010587 9990.475536 12468.98024 8345.619065 9783.782206 8781.961732 9889.846603 11807.39091 9476.989779 6299.638332 12805.62733 12296.63779 Bisphenol F NA NA NA NA NA NA NA NA 9858.178588 6124.644834 9460.131488 7442.276743 7957.088974 8261.07529 7324.278895 3860.03401 8851.172403 NA NA 5500.930179 5885.021171 4234.92814 7958.548761 NA 7462.747992 17245.43976 8066.914513 5575.346519 NA NA NA NA 2995.585398 NA NA NA NA NA NA NA NA NA 2235.788062 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 15888.78638 6442.67475 26678.54481 NA NA NA NA NA NA 10078.95879 12596.33369 6791.693943 5045.311503 17423.11356 16016.31282 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5186.22532 3353.186094 NA NA NA NA NA NA NA NA NA NA NA NA NA 1585.202397 NA NA NA NA NA 2732.568474 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3436.922218 NA NA NA NA 175836.6304 285222.1358 90803.29793 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6220.063842 NA NA NA NA NA NA NA NA NA Sebacic acid 85917.02113 156168.1925 76553.92091 47346.62412 122578.6627 44873.03459 319219.3056 294666.7249 319865.9589 316744.9494 427202.1195 298784.8391 300850.4374 307413.0928 300171.643 316568.1906 273126.9804 282268.3532 289947.1012 279169.222 285140.2692 270825.7913 326214.7143 289517.5746 297776.8396 198871.0106 436870.916 196629.4896 607783.1259 81804.9885 149697.4971 174893.5851 241969.7042 424157.7667 81100.99552 434339.2154 203565.6125 487181.4564 239891.2547 114083.4159 68483.68223 314437.8059 503576.7854 320353.8761 97132.69467 144086.3359 876173.5928 87236.60387 187498.6847 204297.6491 124679.0187 239930.6416 129506.9089 605320.5095 475478.1773 99943.74219 434315.3884 183540.9408 407713.1679 150092.0768 78320.17632 371247.3408 295223.2624 110201.7306 86746.96653 178999.9045 318857.073 374859.908 59903.65203 102824.0469 154064.9776 141962.4741 64995.66871 483655.7393 119800.0078 203847.3096 77838.71432 329760.2541 158841.9412 91200.14494 511421.9122 471526.6686 128977.4963 335056.8246 115067.5158 191333.6964 123897.6584 142672.5378 159179.7679 232326.9352 91417.05093 493177.9966 84874.48279 134983.1438 112269.1167 268107.3265 176584.8343 96895.51945 118454.3243 134725.2944 175721.4341 63788.78531 71429.92347 326330.4091 106263.6025 113677.5297 78557.64657 172913.3814 140554.3821 197698.7435 87510.0655 127771.1282 142619.5618 217208.5991 81785.09793 163419.0535 97819.90706 146799.8167 251244.9434 305024.457 104605.9237 173008.3573 592437.7719 70759.35883 79349.57777 81230.48863 274095.4405 207878.1013 463102.2515 42823.61817 214311.6969 85039.45021 229965.4513 78669.00543 335880.8799 154263.882 55413.00204 260357.4065 238902.4305 220935.7739 380851.3118 71687.62135 121734.2225 150059.0008 93999.22595 536321.779 58572.70527 706378.4265 360342.1742 96537.81914 150135.8038 108365.5313 95392.41305 186393.3656 59907.96956 475832.9874 187757.7601 95298.96325 72770.69425 395102.8075 263557.2219 129930.352 70586.23328 494005.7241 62369.4709 434452.1916 214339.6473 316858.3542 122552.2586 130298.4787 282124.1213 87883.57889 248194.6109 100507.3765 294640.2904 697670.5876 780971.5479 109478.2637 335800.9418 87519.69579 210267.6498 171221.5787 78306.93411 192253.4098 164304.374 87682.4088 311159.8449 17beta-dihydroepiandrosterone sulphate NA NA NA NA NA NA 21763.42738 14715.71118 14993.98378 6141.358087 19215.39868 21995.53281 17769.94274 19414.23121 11389.03945 16033.35788 15161.46758 18383.43319 13695.4596 17201.31835 9936.02112 20633.95951 7574.003968 11346.37451 13619.07589 53627.1759 47375.15046 20256.22033 11318.58568 18949.56072 12251.7721 27209.70287 7409.67377 23498.38698 20791.24977 20468.04446 9897.883025 18784.28342 15031.66515 18275.8212 30857.31446 13643.33654 32249.38904 14321.1578 17334.01208 8251.740684 22967.43555 14772.62356 14892.4307 12097.28573 11196.25572 11117.98755 6395.381448 9636.813135 8324.03763 33246.05574 28474.41539 10662.82981 36003.44146 23743.74028 62158.02376 72622.61353 35938.89264 92471.60986 35415.90721 8752.309793 21376.30536 40842.92557 71518.11581 31572.59552 7096.404382 6237.586667 7920.368182 10729.06399 10810.30151 16551.79027 29505.89837 24363.64052 9851.083877 31057.81435 12664.4748 19935.68834 9767.502447 13078.65494 17044.30159 4705.133464 8397.750223 8292.958345 11172.6775 14047.35526 24090.42681 10765.23373 9701.057521 9053.993841 3080.104716 10231.52548 7102.274858 21381.5453 18758.71199 16791.88955 25299.76634 42813.71835 10400.23704 31823.38501 35506.19702 16940.51629 27688.66125 9200.893589 19354.71469 19136.06264 21958.54214 44237.04768 9747.214453 18272.92669 17669.37631 20426.34673 38224.14889 24818.03229 9915.758174 14334.20432 8603.613441 6868.493194 12936.12134 11123.58919 13686.21133 9378.790888 12972.29078 8724.683901 18620.23564 12075.93841 6529.166675 5942.030769 8772.885047 5595.858258 6635.223156 6705.468668 10577.83636 20374.98121 9150.469354 10650.50781 15688.48006 18784.8698 84143.53756 18218.73198 53752.65142 10362.73425 10984.46509 14694.64103 21699.73018 21018.04502 19303.46155 10958.83243 7885.523164 12680.35948 8194.04047 14568.47374 4641.421807 10096.52708 28350.7296 20116.24126 9767.071651 7840.574624 9780.637765 16188.71115 16870.7925 21626.10037 10128.48269 20204.88005 17868.50177 9588.877361 8801.230201 17690.26245 9830.308226 25534.29233 10082.98201 8145.510566 11904.16415 8025.448289 27450.39769 34889.86546 18368.76813 11713.87298 14439.94099 15744.62088 16956.20982 29764.80454 17732.51105 10-Hydroxydecanoic acid 16080.97936 7414.016749 NA 6730.03045 10188.75406 4523.342689 79357.05085 63257.28749 69859.02868 77909.4482 89072.31771 84723.09286 83720.87392 58781.00997 75584.76636 67202.69678 68075.57293 81232.64145 54127.34103 73427.50784 63955.71294 54016.52488 75025.86998 74971.11258 73702.38078 16690.88487 57569.08357 39234.83123 105045.783 NA 50390.57257 NA 96254.4805 98874.44908 NA 105174.1878 103933.627 97504.35384 112767.9887 11928.62367 9967.869945 213536.7866 141094.1299 80647.01994 6056.080798 160258.7586 144398.2231 8929.739126 80717.71176 105667.7815 NA 84480.77369 NA 234359.7723 81271.91983 NA 110174.1015 74207.97934 64928.09412 49110.73473 NA 38583.27167 39613.60025 NA NA 64509.68276 64578.55446 42092.52504 10061.00179 27647.25871 83029.2439 63328.25123 NA 101643.9568 48456.79294 NA NA 74869.55339 54597.29852 NA 113402.3568 79695.28809 25726.6546 59589.56887 12812.63423 66777.48163 41070.07385 NA 42086.09125 49725.14675 16965.37486 67914.51307 7018.652212 66215.56431 NA 60990.48981 44153.93149 NA 31765.58763 42012.8176 24233.08376 NA 37954.63641 88144.52721 NA 45751.38383 11144.35984 49155.98338 63179.14906 46173.87253 54495.29171 13472.23511 56293.97624 48864.76978 NA 37171.00043 NA 47434.84648 112415.4519 101158.3657 7128.74027 43479.27876 49551.77056 NA NA 27221.79373 50674.8978 96063.36609 130094.3405 NA 42314.53235 NA 37328.01787 20717.6273 57186.84301 34521.39025 NA 83948.61875 125761.1011 118727.5828 103476.5022 NA 58545.66441 43596.20071 NA 164246.043 NA 119366.5818 72553.9731 NA 64171.33853 17727.78024 15007.97384 32115.11526 10744.94026 73639.53313 63384.61126 35353.62296 10055.26861 81464.33418 64049.91928 34947.71965 14129.66695 209757.5384 6414.600249 43085.73459 104916.1849 50126.31024 11199.63034 33702.24413 41705.66484 16945.58983 90680.1248 8633.737794 67802.92621 226402.4803 102122.0646 12210.55642 93953.6246 10157.20072 95247.97679 58917.91505 9154.716131 37778.59095 50579.30288 NA 97844.41909 Dehydroepiandrosterone Sulfate 34338.86051 3357.742649 3365.643768 23429.16127 5741.183906 3435.628618 4187917.214 3851447.668 4627942.548 4403270.959 5396763.328 4343369.208 4410707.441 4097828.852 3956073.772 4176553.577 3806528.763 3916381.723 3603717.357 3860132.234 3841615.318 3530962.118 4294845.57 3654674.784 3623891.359 12764947.48 7540044.271 4471644.854 2476874.036 3539771.808 1557521.09 15841456.34 3972480.405 12790574.97 5041614.566 3585208.752 1759590.647 2567909.042 1633295.437 4001082.022 9331698.096 2833118.864 7011685.172 2140791.412 2772662.49 982669.5909 3467888.29 4956010.343 1699054.756 1156991.997 3880453.431 2536672.771 2089887.978 962820.8475 710191.3007 9857952.874 5463221.694 2924184.129 11676856.99 5402321.589 22865184.43 16890175.87 8040037.783 20383657.32 13962570.93 3496510.942 6299833.595 13055936.55 16785211.97 5984062.393 3146314.199 7504630.414 11351133.71 7283933.166 2938062.99 11381836.35 12170518.43 5584977.176 3835850.477 10362454.54 2692988.949 5456355.854 1131333.454 2499586.727 3910711.378 740150.8368 362038.7186 1448730.828 3666954.612 6142932.667 11803227.74 2120294.517 3569213.314 1657397.095 814693.9322 477651.5513 208959.3 11434542.17 7425804.793 4074119.134 6161868.904 11041070.36 2691990.324 15742925.42 23493030.45 6529219.185 8496900.249 2468869.825 4750917.193 6275600.614 4292775.935 10664025.09 2458585.953 5166507.012 7074580.026 2493699.362 13710268.38 4766048.519 2739969.223 1471365.99 3531355.746 1412668.251 2952093.664 4994892.184 6070939.31 2016742.527 5096230.455 974566.7081 2293695.66 5793643.09 837414.8847 1977866.865 1372346.003 10898698.72 5037428.675 2430852.047 3472932.653 1973511.522 932868.7438 204384.8309 315713.456 3213896.418 15616848.13 3978397.648 15161557.06 1785326.988 3140039.383 2916471.309 4828109.002 11257680.17 3199177.28 839085.9885 2183980.119 1442157.921 3826497.818 2317286.891 1120659.718 2049924.615 7685106.763 3994205.603 4090169.003 1767228.095 5538981.129 1869606.07 7557729.147 6148878.691 1553303.488 4713309.596 5778985.242 1250148.387 1670483.259 5277593.96 2963944.426 8605165.637 5967418.348 1132200.631 2075169.673 3238149.923 4929670.814 7647114.301 2540235.053 758623.4405 1730391.729 1434985.045 2760960.266 9060550.22 5597172.638 Corticosterone / Cortexolone NA NA NA NA NA NA 11819.71039 15412.17968 15097.37546 10956.74412 19336.37159 13078.75808 18227.88326 13887.43591 7704.963018 11403.40411 13915.67699 12222.09879 14179.27312 10657.49739 15968.03491 10402.59088 11650.01897 18229.80318 11005.24944 6640.130235 11136.97255 9805.146362 19292.29631 8665.427371 15674.58452 10038.18454 8367.995011 15395.67183 7871.557256 9919.820297 6155.444813 19745.97914 12480.94011 5201.046943 8666.63904 9630.887904 11266.83751 18187.7701 10895.53243 9883.903559 15864.90215 6743.067238 9580.566384 14545.66319 7169.278221 19712.28269 8072.721462 8897.606608 11268.25598 14068.24964 25901.98632 18216.41749 9291.46127 8411.273946 15244.6946 17487.85235 6281.191967 16398.09104 7709.758592 6189.135763 7795.524644 17245.55468 13318.62943 8673.19334 5807.723602 9509.435485 8031.282356 18296.68403 11527.25445 8463.88664 11351.22415 14135.80633 13087.09672 8080.941515 15165.73511 12544.65537 8883.208332 11844.37465 10533.60654 9702.988416 13739.84883 7265.012439 10790.56818 16842.34428 7693.583433 6584.318794 5693.345047 4976.523616 16437.03258 15013.383 8160.169317 4889.181349 6276.73497 7300.013256 13881.04281 12599.51566 7957.341938 11415.93637 5851.786758 3790.382535 13124.36282 9221.472399 14672.05293 14181.22298 11058.77854 10251.9132 7392.79848 11925.87051 8630.563655 9626.018839 11540.93657 13333.376 22730.31891 9570.789496 3951.241225 7867.656937 15223.32556 5492.76366 6706.711368 8787.197497 13888.5874 10790.4401 15323.91176 13883.09621 6267.945678 5644.079952 12443.78768 8529.067308 13828.40228 5925.96889 5406.996684 19435.23486 11435.13711 7557.765185 10308.9083 6451.55228 16945.49993 7995.655536 16699.5027 9485.702185 13608.58146 8287.299189 19251.3635 10560.49057 12337.84641 9402.532664 6836.210057 16613.20519 8458.660104 17853.00999 7353.399142 6406.933078 10121.65235 13413.62209 8827.218289 9494.938659 4845.87591 6062.100028 5071.718781 17376.59669 8956.383845 7303.194678 6914.870738 10733.0302 10722.04219 14611.86952 9696.035789 5118.3539 10377.531 8454.323834 25347.12266 5171.19201 13003.44123 7617.921156 6496.522493 10316.29521 8488.480833 13867.34366 9039.503452 6082.100514 13357.118 Cortolone NA NA NA NA NA NA 30992.38656 21359.26811 34797.24804 29403.11853 37875.55891 26893.5624 31689.03501 24032.20884 21977.26863 27707.25162 26515.13025 30791.00169 28206.25712 23540.10645 21915.21555 27855.38816 28066.08085 32310.19079 28042.92388 17456.60067 21277.40272 14921.32391 20219.75043 15214.22535 22953.0138 21956.58251 16345.65826 32516.1034 10612.03269 16413.55915 17260.0481 12770.67729 28316.80027 15197.57232 20056.18101 16773.22066 23884.68565 17922.07678 13154.6023 9508.541339 31306.43674 20429.80814 15355.67631 18147.22323 25736.20066 30443.53439 47028.43071 37347.47089 26515.50425 18189.42371 24400.78642 21543.67527 18258.22675 11908.96858 13147.37149 15739.22142 10057.5961 13763.63351 7936.324961 11474.2248 10990.96545 23873.44729 17440.27613 18201.65408 14348.20542 17521.95523 14114.78719 21063.31464 16881.20838 28493.53116 34821.21397 23751.01154 25749.26325 18495.00941 16925.54656 24905.70286 17745.42465 25185.29763 19914.21417 11156.12408 22133.53397 9937.057826 22059.47724 16164.55616 16579.71001 21061.67299 20394.10485 14405.28149 19121.92903 25401.01277 15567.1155 19197.61925 18417.40372 10825.60826 24511.5385 23527.70488 16371.64655 30153.63054 26495.26946 14727.72326 13647.1444 17074.84128 22334.69602 23912.31723 8906.077399 14581.01345 14038.05645 18644.55623 15480.96203 17600.21038 20574.67259 15436.03168 38681.1344 23776.53025 17932.25146 12935.15932 28212.64614 22310.95365 13137.43194 12773.14856 13803.23863 13585.52383 25904.05156 5451.204316 13626.70514 8780.037788 13329.24784 15366.54728 18507.17364 11366.67143 16868.03943 20032.68265 19991.97847 13623.05271 19875.3973 21757.5354 32891.73746 15951.14268 24511.72765 10390.27894 33922.80437 16142.05728 22943.75121 31753.1708 22618.73277 21477.15573 31249.47626 35677.33186 10442.58182 16529.26087 17096.54655 22697.80591 29786.67695 35502.31808 21718.05906 17999.71922 15413.64814 15774.32885 15735.99458 22779.66124 17949.99678 25365.70387 30266.14397 11522.07444 12518.895 12378.47038 14184.16388 14825.17086 21188.08541 22160.8715 29134.12363 29496.4569 21293.08591 15750.33155 17981.36694 17708.47415 9971.199752 13745.75849 15733.89717 17944.49926 14592.36375 Di-p-cresylphosphate NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 22351.68618 NA NA NA NA NA NA NA NA NA NA NA NA 14038.45183 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8389.598065 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 15741.93333 NA NA NA NA NA NA 6390.107063 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4-Hydroxybenzophenone 11464.63811 11160.69084 9507.980982 6184.713148 9618.360945 5226.389041 14771.07263 9317.604915 10106.06836 11594.65679 16395.75592 12697.59737 12469.48966 11667.87978 15975.64071 15001.7893 11989.67373 9965.442268 11577.22127 12531.58829 13411.37687 11668.3485 17403.03152 11555.24098 11494.99405 17536.38856 16444.13802 20496.29148 13654.60138 15178.1965 30477.73628 17158.84279 12689.8729 10077.21757 14778.80952 11822.25216 30095.40082 15378.65332 18987.90225 14719.57435 13804.59193 21507.49102 13027.87337 13797.60696 15203.01037 13859.28549 9694.700277 19652.26294 16348.60306 16358.3784 20957.5331 17977.59547 21858.56678 14198.14827 13199.59229 20286.94128 16273.42614 18052.92838 11620.61232 15404.02455 19348.92389 13253.40995 19305.2367 14159.73313 13198.1461 8843.385401 16185.93185 16462.63295 17137.01384 48298.68436 14196.6751 12649.46713 20001.49302 15749.95201 12519.93673 13719.7024 18900.48358 17764.75728 14235.14789 22903.4917 18098.52463 12204.21974 13463.68507 14488.05012 14208.30897 15921.76582 12400.90998 15692.55704 15784.78283 13270.47893 13687.91071 12665.44339 14068.29164 21209.53666 12850.63213 10033.50855 13218.39818 21985.81981 14026.3492 12716.33514 13463.09444 17147.65041 16962.03806 15174.49691 14603.00654 15218.32593 17333.60687 12005.43213 13569.25635 16341.588 17902.95634 14233.30051 13371.63455 14276.35248 14482.61235 12363.992 16496.8497 15217.19506 13050.71367 14163.05501 13410.11355 13746.6689 13388.83186 15977.14214 15314.57302 15956.68089 13207.78937 14290.52642 14134.66871 15447.7756 11840.63906 13227.95776 9860.864026 20012.09817 17471.44532 14110.77965 15681.33896 16507.45674 10308.35695 13441.62401 13214.00916 14098.12118 13782.34043 11406.39646 14925.5016 10348.65073 17119.64495 8979.588543 14200.17351 12483.45479 12559.48845 13967.7726 15236.95605 16721.10017 16697.60612 14174.26797 13400.64526 10227.32334 15775.13128 14853.50933 15627.31051 14741.55038 14907.00378 11029.24287 18883.81863 15613.25633 14190.04158 18510.25916 11341.75119 16101.59522 14163.36202 13876.36343 8702.129309 14235.423 11927.52068 12695.36108 8961.867534 17471.09815 13880.12771 10947.1166 13541.21014 16073.4902 16220.57401 13893.83798 12247.94254 17211.75704 10764.09395 Taurohyodeoxycholic Acid / Tauroursodeoxycholic Acid NA NA NA NA NA NA 24811.44504 24832.09463 20700.2193 23082.98604 29180.07097 26345.62628 16414.20987 19124.65465 18758.32875 18181.1598 15188.25675 20953.21325 21709.52139 18025.22087 21532.55766 17202.22545 21899.99552 16876.25796 19458.14722 9396.998672 9899.252908 12678.01945 11976.26576 9386.672931 11795.95943 18428.39178 10758.14505 20304.12453 10373.26631 11063.87808 16504.17973 25243.00545 14826.05356 15268.54167 27957.73159 20591.67862 33732.06611 48744.0892 45178.33959 26200.01467 30014.04345 15314.37223 14618.34381 17289.71075 36221.04013 18598.15628 13671.38541 17300.40111 12637.85159 9524.979186 15094.7286 11424.28286 25239.39269 13392.39434 28297.28765 19663.81637 13653.16386 19833.87319 15773.06043 12224.57374 22722.60138 14123.72993 7997.222376 9688.295195 13612.8246 17128.3383 15483.73404 16958.90355 11609.17948 12474.61853 13036.6145 14899.1529 15546.40505 13359.00588 18327.62159 18210.82155 8208.469105 13954.69337 8021.939502 26958.03868 16273.03291 30555.78074 11462.16149 20166.89139 19942.05919 17960.35848 9885.679867 13527.79897 10989.4913 11665.76391 9113.22095 7591.867291 9265.03382 11778.79281 19954.90766 23593.31926 13654.62703 20228.94598 12523.43529 12647.15978 15501.03786 11544.18325 11770.53539 12170.10535 10434.98231 10977.15714 10347.82161 13479.06038 8892.287669 10066.13448 22346.9491 10030.87645 17183.12218 11886.71699 9703.502742 16493.24439 26321.5524 10225.35233 13973.71454 12002.03685 15056.0041 9731.149398 18818.96974 13228.93496 75415.24938 173860.7857 106808.7493 12065.13551 17293.75181 8171.838143 9239.213583 12932.85037 12914.9476 17411.36659 15260.37923 10781.61515 11117.2789 11270.98503 9263.289551 19738.76446 21637.98797 25570.33514 13399.35628 11730.32386 11696.20456 13208.46165 20611.42206 12220.71219 14116.72568 22390.68383 11971.74527 10732.86753 20068.90726 15261.94613 16198.51533 11343.14648 19854.58036 30418.50396 36273.20395 46185.53508 15710.07835 20588.44822 17077.46826 15231.54919 13948.9271 17074.37761 15020.16123 13457.94247 11225.67638 27746.37662 31852.89559 21608.88093 26818.24007 23085.07129 17917.81296 12309.34447 14559.22413 12366.96094 15969.76011 11063.14628 17863.44451 Taurocholic acid NA NA NA NA NA NA 56956.97873 57150.1019 69251.90338 60648.11401 70416.14792 59240.51697 52200.1438 58073.19815 58650.33317 56759.54122 56207.81748 54218.94633 57693.78946 58242.83365 55901.07871 57276.3994 73853.46685 50019.41093 62430.54713 6452.243287 NA NA 19198.96789 21404.9607 16045.22681 11567.95347 NA NA 17832.92121 15856.26249 16084.257 27222.52133 25043.34009 23822.52438 20725.75081 NA 26667.33679 135365.2967 125254.6025 56981.86652 NA 18693.79511 NA 93412.7375 221098.1705 156238.843 30810.23546 16180.3133 NA NA NA NA 90847.00112 60706.90581 144248.2547 35974.26736 21825.75799 35260.75502 71144.14953 43895.38608 50913.93724 NA NA NA 21273.06157 33058.0412 45426.95087 45367.60955 18506.10049 38457.53637 13432.89136 17272.20136 NA 62911.32747 22523.04131 48610.03709 NA NA 13629.544 15946.17122 15106.13761 27154.86058 27257.24431 44454.37274 50773.87125 NA NA NA NA NA 10353.94088 NA NA NA 33911.78076 34862.91821 18396.67894 NA 24820.93751 10110.0726 82199.52105 30813.60691 32048.4354 NA NA NA 25637.17272 31875.66763 50646.1326 38568.05986 191831.9175 50688.83509 NA NA NA NA 24645.57671 24735.97791 NA NA NA NA 27163.85561 28601.0639 81707.95188 178215.8737 99399.95464 NA NA NA 6785.841757 NA NA NA NA 24974.21446 14429.10323 16280.26839 15533.3713 88894.44685 91470.8074 113659.6556 NA NA 10989.71316 11674.46554 32094.24212 19579.22509 18536.89048 NA NA NA 19399.13663 NA 109810.7967 44752.50649 137185.4129 NA 35788.75595 35859.77096 17649.20185 31473.96077 33710.83501 14316.27552 10998.07511 21772.19959 33664.6981 38829.54204 28566.30977 115412.8611 206252.3146 228433.1423 70398.37341 89914.92002 36841.29375 NA 8222.27532 7198.074637 19551.99416 52406.55149 24395.2568 Thyroxine NA NA NA NA NA NA 21912.22124 21204.23696 23544.05639 22530.84109 26188.12876 21280.08811 21550.3809 21435.97871 24272.0837 22711.77837 23535.94788 23713.67745 21749.02789 22715.38868 24494.59793 23543.25835 25474.70746 23629.58934 24171.09358 36888.73701 19166.53894 11983.59716 15315.65945 33247.56248 10197.30591 32360.89998 6603.437548 19619.64166 29375.79743 14018.7651 6018.277383 18095.57084 13284.91507 34558.81009 49428.54736 12944.65861 28225.02713 24295.91045 42274.23537 7244.141605 18497.27626 48833.61017 8097.459247 10720.12706 38309.96457 21219.50121 49419.32887 13772.62762 11526.54099 38985.18579 16450.5488 8402.379195 13673.57546 7157.824997 34765.75042 30075.52589 14902.28226 49173.48262 59157.57185 14563.88778 26315.76547 22920.19944 34013.66768 12492.11683 11649.47481 27094.27772 55790.52668 17036.71281 8756.590546 35661.0839 24325.66802 12219.27799 7797.88703 27401.69784 3413.238771 10590.80694 9920.880713 21446.03261 45412.96893 19729.9587 9208.048088 51297.98198 10037.20146 18367.69501 42297.75083 21128.89878 42343.22406 11841.93675 40420.34758 17715.93469 7678.934174 40981.48796 15868.35713 9818.908337 17258.25906 34010.39085 7693.692227 17147.04902 37434.53975 4407.278546 51177.53473 11171.62088 17793.25097 16325.17505 9667.074341 36750.3782 9265.177366 16504.5488 37482.24146 7385.643294 52819.17729 12791.16313 14122.68835 8945.265447 31213.43053 9245.924118 15820.29256 34411.98985 33835.19484 8752.043165 18801.51268 10004.2601 23416.46374 37745.8331 14229.01966 41014.31072 23241.53471 41160.92503 18332.43269 10243.6255 41647.40372 15215.07638 12249.26167 8987.571097 12936.12662 34211.77356 23028.29891 7286.44297 36553.65502 19531.30469 54949.26595 23341.34672 17607.87327 49098.06032 9779.766979 8913.597281 29581.10728 16399.42362 76957.35078 30157.12002 18547.10128 10384.05431 45674.6009 18801.77874 20947.50504 7410.101085 34116.88699 7805.085301 41844.17078 25087.55156 8148.693272 27017.82393 42502.65834 7018.174776 10609.30605 44626.06312 12378.3781 42209.56709 19213.06474 9343.773372 19331.28549 37913.83074 22040.86907 38058.31431 8756.365987 10946.15135 35938.40786 22956.43505 9819.199611 45199.36041 19857.74158 Perfluorohexanoic acid 7415.209077 NA NA 7186.313862 NA NA 20027.51991 21752.69909 27053.60705 26106.12276 23927.02113 27671.0153 24581.64089 27548.19862 27517.61425 24315.04453 28837.24716 27973.6172 28991.0524 28267.27238 29829.82107 24955.63902 30160.11661 30662.07815 32948.90696 35466.47298 39455.37571 36184.53904 53528.48653 31388.71161 31552.61741 31535.70181 27482.96642 43584.63998 37237.6011 50064.13127 47056.04333 77610.07736 42234.00478 33795.44005 30004.51851 30893.70578 49679.82691 33180.51575 28535.97925 32727.57003 51354.06313 32348.22835 44945.41616 22776.73719 12670.13792 22492.71205 12762.50422 8584.393185 20299.69511 16407.21902 33289.67393 23942.22748 31704.0069 29615.6695 30278.46861 29487.75086 25493.0515 18628.59998 18996.61017 19857.21277 25849.80054 22361.75643 19177.81138 17562.2329 24629.12589 39554.98139 28838.72985 50425.30188 25681.67942 21732.47539 25182.08909 34045.59826 22910.24465 23458.91398 21112.87186 24735.94291 25520.12121 30472.15584 38763.7031 38369.53053 31042.3993 29046.98859 28972.2699 28438.47877 27776.53673 49335.27996 28415.53172 27266.62079 29231.10581 44909.55133 28769.19847 37104.7219 42251.10761 33210.89529 37549.23514 32748.54891 37189.61811 60978.34242 35568.10438 42869.05123 39015.08839 43373.05413 42036.9798 43496.04149 29217.5348 31565.59094 31682.52588 52993.24064 24894.24903 25385.80009 27284.72824 38264.55875 54618.79095 27502.67441 23275.12253 30712.29401 32524.75322 23547.17074 21182.17291 22387.08662 22955.75154 18408.15758 30838.94188 21586.34115 20293.54659 20595.20327 24445.31081 13261.89684 20764.24328 18215.92808 18939.46628 31064.40042 21618.46607 21222.79764 32367.17181 21845.14052 37783.02552 25166.32225 16585.15213 16718.58581 28370.31049 19784.50471 20814.15975 16326.36471 15129.26014 19409.17893 16654.17823 22100.56047 19337.92038 29321.10855 21443.23165 15400.74443 18854.10682 32201.75787 18450.06039 20153.72351 16679.18642 17844.2298 16908.16405 37229.20522 26541.39644 33947.56615 20906.43676 18695.66747 24433.54496 24526.91501 24563.51264 22338.12586 39424.66164 35969.46233 64302.57291 33467.38156 44935.62123 25819.63252 24243.47102 22985.73969 24953.04418 27476.20775 30568.58468 32434.39651 26208.25821 11-beta-hydroxyandrosterone NA NA NA NA NA NA 15763.13082 18277.66422 20274.2081 20665.29389 22805.15929 22914.57138 12685.22142 12999.54392 20877.7463 17229.1701 19367.3486 21930.32746 20268.82465 17454.86374 15782.20339 21619.31958 24466.20093 16073.73818 21890.13302 1668.463131 4368.077033 4160.567223 8026.218502 754.395726 16590.97904 1555.17174 7106.019491 11269.41796 518.2996211 8838.169971 7357.281269 14384.67855 12601.02986 736.1593258 591.1150371 7093.848703 8465.710715 5663.228637 587.9902453 5057.962013 13234.88811 871.3186823 6241.764044 8665.367943 4821.306594 8117.775938 2062.060481 3815.409485 6853.118249 1462.55374 27752.01519 22888.38095 6401.210332 5806.060617 1201.642112 3313.064191 4027.116961 1953.50434 1045.478273 3501.013386 4623.349629 4232.566687 695.2583921 2668.917416 5836.905939 4713.56334 917.8404547 11696.48337 12738.59721 2439.942672 1848.076514 5889.098509 8400.487578 3535.921365 7945.754866 8563.708844 4003.266657 6038.892484 824.1413118 8816.550421 12932.42554 2125.797703 5142.016917 6173.108587 1350.012863 3677.919384 938.610741 3599.233558 1829.198318 12001.78957 6112.312936 687.877474 4059.165155 7049.283326 3428.59931 691.6247706 3700.820468 8699.451202 403.1599778 3079.349383 1244.091772 6870.133625 3431.326675 6948.215693 4542.293693 1370.36172 6938.693679 5156.878829 782.5984729 8201.978169 2551.130533 6827.64037 11565.5178 16957.27597 1698.959023 14210.6683 23233.68192 27408.10285 536.383116 5703.566468 3388.188759 3798.37359 6637.957677 339.350999 3662.960646 1615.417669 3019.952135 695.4249345 4588.345124 2893.346566 826.0338412 15453.45561 9928.518498 9658.681758 8225.562746 923.4507391 6486.916527 6725.344937 1210.306997 4634.867128 3664.565225 4511.405649 4683.135575 1099.534068 4076.425544 7112.330311 7498.250631 8033.753907 359.8452721 4718.932538 4311.540225 4807.242886 1417.407679 5705.32872 6114.958522 4487.437397 1594.389701 4059.592931 883.9211135 5197.319638 2353.881707 3856.476496 1257.117062 4873.135725 5617.720303 448.5887831 2382.072808 1232.642739 4791.807468 3340.364906 5760.324913 1851.609892 4764.244643 896.0144313 3524.026533 4339.364463 NA 3911.794125 8186.266668 1738.704626 9499.209337 MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate) 7723.635823 7102.483773 6441.095319 5953.494964 9323.297327 NA 19944.08427 20298.97117 21009.5772 18395.20184 23462.43026 16707.16684 19172.24324 19197.26872 23729.00728 25736.67397 17267.14758 24828.74671 18932.69259 18817.50535 14517.77062 21191.39189 23071.33784 22284.90764 21207.36296 9159.335683 10872.55626 232802.8004 17645.19207 NA 52578.73032 8872.338522 47915.53318 14486.78033 7437.709934 14431.28595 38021.68075 24204.45258 24876.61695 2388.319561 6697.891274 27439.79989 16237.23129 10770.81722 4779.009859 22467.10687 16967.85273 5669.70904 32509.41336 31662.89512 12695.54352 12699.33495 NA 16276.70406 12232.1355 NA 24034.66065 30896.62852 10184.26373 19712.98474 NA 8748.340746 14174.34152 5791.580235 NA 16931.91825 8939.937476 11061.59081 NA 251847.4872 51334.90294 7041.063042 NA 17607.49496 30090.0738 NA NA 12931.87872 50858.058 NA 37477.70047 10759.0916 24890.10548 9459.90102 NA 10254.99538 50188.11804 5621.3887 17591.52997 5802.43317 4893.407325 14907.30258 3729.820827 15721.69556 6524.862901 5875.005005 24335.89608 NA NA 40797.31826 NA NA 26245.83622 5141.068677 NA 7982.030337 NA 69568.33572 8818.733939 13833.51959 15048.93241 NA 31518.56017 10312.70772 2610.823983 31755.97893 NA 8787.754092 11966.86536 22889.56585 4647.787011 12220.70333 19357.20498 4642.483332 8163.365962 23886.80159 14683.76356 43126.73708 23835.05364 10031.18848 12628.32427 7522.234744 13224.87487 13761.98748 19788.15863 16250.78868 13906.89158 28830.29374 52550.82282 54303.69697 17057.88247 13632.09199 22482.45646 31137.04743 14198.91797 29432.27151 9433.872026 19587.83813 16729.1531 11365.27504 26025.93228 23875.32789 NA 12129.79697 6902.809949 9646.46091 25784.43952 17062.10494 7296.361728 13469.44439 11442.70131 23992.29656 10385.72086 30415.43887 8502.508686 NA 20829.55562 13833.3763 7643.415642 42907.06202 10412.21176 NA 26714.14288 6848.449456 13708.72102 20950.13877 15656.20453 8771.205895 12118.15029 6256.373798 24433.36902 14091.75333 5913.583223 12212.83542 32442.84778 7763.953188 11200.33758 Glycoursodeoxycholic Acid NA NA NA NA NA NA 150571.8555 151510.7198 175932.5132 168837.9 192192.2019 165193.2859 148157.5265 163434.886 154773.6684 164169.1007 151323.6029 152040.9315 156279.7089 156562.1085 161130.5832 142311.3679 166620.7208 153261.8759 150857.4586 38906.04185 20567.39801 16933.39637 43458.41274 62452.59995 28372.55675 43579.0397 13477.5499 36116.54111 7277.932149 6109.505925 NA 83909.65974 46326.33623 120645.8002 594765.7065 184668.9625 470329.5081 432925.8014 549557.6943 184285.5014 128424.7143 113634.0768 40471.34202 92165.16369 318630.5148 169797.0461 31862.33195 NA 13960.67365 25338.32207 15380.04389 NA 149151.2388 81018.72085 306942.498 229707.4992 97963.60275 326969.3085 44742.36433 18189.64315 24059.86343 NA NA NA 30080.2354 44398.99128 69813.20431 63898.02366 24339.53518 93433.57436 105076.5189 62601.64797 39213.71235 41638.56592 9333.576256 20785.51468 NA NA NA 257969.1018 134385.8885 594512.2075 26507.20581 37467.15417 52686.88589 NA 26589.7397 NA 319227.471 168704.2836 74610.0622 34767.78038 10604.51312 NA 104459.4855 137267.5022 43730.88744 52356.16548 115607.7864 18319.09958 35949.68838 14907.37254 12250.26626 20032.73807 14155.30033 42685.13469 19435.88369 25924.6214 40498.26642 15458.53046 108693.7886 23025.70536 NA NA NA 7848.841918 19514.3249 26645.41112 50261.48028 20078.63899 43280.34678 23094.34156 55516.61234 17679.40923 866026.1896 2678230.336 1242183.906 60748.60836 47566.88206 20211.12032 200773.4418 134169.7554 68323.96718 16553.13213 17801.09862 100061.1641 84346.29038 25517.37738 84095.21052 12484.76709 108363.6998 15639.89433 37767.69345 62499.31365 17485.95912 32567.28628 84982.99225 50775.53039 20492.04986 20773.08401 10485.42841 64964.40845 241370.2999 131864.2646 129434.4362 49969.44002 178228.9683 328588.7331 1281969.941 1137537.299 45021.59821 151876.5828 171336.0381 26132.75567 48084.80559 126782.3905 38614.27022 104818.7047 64788.44638 90970.68102 162709.8561 253833.5648 97615.24493 141155.6833 50275.54505 22170.70329 47115.39593 41082.65611 23687.43143 66333.29344 40096.35674 Pregnenolone Sulfate NA NA NA NA NA NA 128525.9275 121030.0482 143158.0443 130517.4823 158717.3016 134891.8375 127720.0341 126648.597 121426.4732 129030.7663 121822.044 125205.0483 126624.9579 131356.8171 131583.9333 124031.9731 148117.7855 141364.2473 130934.8387 134543.7107 87633.2341 52758.47371 111928.694 145108.0216 67892.3937 386466.7515 117783.4349 345898.3685 206763.842 152243.4774 74670.10092 74922.47639 40847.7952 99523.50515 365313.7527 119371.1588 297430.1632 125811.8599 156156.0172 57022.5906 199455.4541 240287.7637 86933.58834 41627.7787 120641.9356 97172.76665 148076.9273 64358.45622 53950.81899 306521.9859 186325.5039 96118.41148 214778.4809 105849.5648 386725.0885 234209.8495 111594.5638 303992.7841 257460.157 71697.21504 130018.2305 301527.9205 370357.7959 138674.0635 149282.9324 378846.1023 534228.2243 109907.9656 47934.23305 162343.7807 350866.4655 172709.3558 121138.6586 147357.0806 40862.94351 80862.77873 24534.75763 60986.38575 89712.65488 27635.54555 11167.81551 47079.76345 115929.3386 177605.725 285858.0912 42608.61949 69964.91931 28896.8111 32304.21069 20673.99188 9254.018133 302568.4166 242571.7885 112231.9964 421626.2842 703631.2175 188416.2983 380869.0645 537806.0017 159201.1444 302296.7195 98783.77087 183399.3806 218850.4996 148250.3427 348616.3892 127635.8101 263388.0714 334748.7122 56494.74495 256740.2041 100546.0326 84195.12025 44453.46039 102650.7034 46649.57449 94162.78787 138548.8984 163630.6589 67918.07373 155556.3107 82290.09026 206292.7592 671990.9823 26679.89516 65333.34547 46212.58666 554324.5039 264943.9921 129886.9682 111320.2437 103210.5776 34730.4993 20181.42193 26235.34361 101366.9981 507296.5061 137838.9608 494033.4242 105002.1213 115093.3124 131045.6798 305744.6247 502482.4105 168429.8076 10899.23487 32056.35965 22047.57218 307148.816 217217.4241 95266.91831 122589.7553 412435.5786 240189.5198 87957.73377 35290.64655 103755.8485 79709.71049 308670.2279 277869.2255 35617.92995 105663.2666 115680.7817 28888.96935 46258.63618 116013.1016 69564.24805 177715.2724 128907.7842 51866.38533 101953.9786 138944.3294 165173.7528 223980.2817 78685.79059 33370.97265 50791.08057 44636.60451 63915.13211 181907.3169 127302.0143 Androsterone glucuronide / Etiocholanolone glucuronide NA NA NA NA NA NA 100000.5046 91704.17034 132213.649 118386.3263 137056.0446 112916.1364 104592.5103 112559.1175 114595.4059 109381.5972 93939.45666 109191.897 95773.85327 107069.6112 101094.9086 98027.22515 123203.532 110821.2495 115459.0745 238532.0496 128638.4568 94369.80761 47604.60271 60833.87034 38873.24507 538401.9614 154145.6233 406821.3483 77088.57826 77075.75725 31313.76419 68362.19183 60329.10484 90504.71545 131854.8216 44231.96758 121565.6131 88479.63676 90473.56687 34715.45698 92242.98933 89718.63302 31607.0291 37080.17946 83749.4679 58101.93055 123735.9206 43520.91061 47871.01512 108650.603 64273.58258 43498.58422 107307.9066 60252.33209 202182.3619 99560.40328 61201.76959 138998.9211 94091.05041 33931.21336 50561.19527 115569.8752 95065.96108 76142.98688 44224.82122 55653.73245 77152.93495 98665.98107 40773.62004 125172.4435 73340.90312 50048.05766 43412.9234 143070.1882 37711.91914 93538.72206 34797.14811 63043.47239 100002.5828 31940.42359 20331.09351 63811.51395 45033.4093 76151.6052 84980.44281 44589.55688 73719.98161 38696.15193 56742.09656 43847.30052 24931.56087 71868.8069 29961.90675 32634.76598 89181.19743 127229.5186 46450.77256 155932.8319 283687.2201 50382.85388 96539.84052 35190.92321 30119.35872 91447.13068 74302.21078 196011.8069 66965.49031 103065.8872 145267.0631 37965.99791 189532.2783 47764.23538 74630.0104 53476.02359 145197.6018 50158.51249 92159.30322 101160.7082 142879.3319 48576.56762 117872.6095 36191.62378 78005.28496 63431.0835 31208.42759 63100.95953 30455.47901 76976.20309 59918.76871 28146.99629 90390.27108 80707.48568 39029.2412 36514.2515 36397.49483 60271.94933 229466.2127 57728.82007 218977.1531 41388.95356 135170.4256 38513.47286 121384.2064 215341.3496 59599.37571 36262.707 88898.18873 67864.34498 75235.69412 57836.10368 29877.21982 49467.10144 133142.3891 75244.09054 84645.83906 35665.53408 119431.4407 28081.29087 101831.5617 105398.8746 40285.60141 123735.0497 148380.5143 33235.32704 48968.1239 119226.1995 43009.21983 114358.2909 69482.95127 70658.69867 104899.7482 172652.8311 71196.64003 117426.4371 40687.78577 30317.04216 36631.95674 31566.20404 44344.52337 117859.6553 77577.88143 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 23055.53234 NA NA NA NA NA NA 15703.11283 NA NA NA NA NA NA NA NA NA NA NA 27602.39301 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6837.983606 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 13605.41584 NA NA NA NA NA NA 3563.381305 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 13370.80426 NA NA NA NA NA NA 22087.27917 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Glycocholic acid NA NA NA NA NA NA 243578.2339 242110.3733 270463.0881 261322.506 296435.7378 260234.5183 249960.4959 254316.3232 251311.1678 273519.6787 246695.1161 239053.3762 222527.3895 250185.6878 258989.1275 242749.9662 264529.7617 250391.2537 245439.2498 49087.33101 28342.50217 21713.3818 78714.8204 130364.5915 55997.70331 25202.69361 8978.907963 21188.07799 42352.65454 28474.87004 19938.10349 258809.554 162923.2666 373932.9135 247168.4072 83831.80019 191391.2123 530536.3687 659348.5406 246738.5783 99411.37281 87387.33513 34728.51887 318588.0281 1000200.686 502994.4947 140370.5415 53922.63192 52885.72562 24433.64968 19485.23138 11726.06562 390566.1334 232717.7278 818170.8498 313517.1125 163709.153 416346.0299 179078.5602 64031.45802 86536.55343 12890.52178 8855.751919 10405.93445 105795.7027 123973.5154 193886.2589 256313.1843 117937.5125 396585.1051 82021.92545 47325.43121 36737.36282 129425.3455 31033.00318 67784.88035 10812.46928 19000.67145 35143.58346 81651.75794 53391.09181 194297.9459 48215.72041 66197.74208 91476.77599 16301.61446 22113.55026 9107.275741 178516.3121 106693.4202 52225.85746 68498.09967 14925.95371 29170.85549 66959.73854 85757.56791 31688.39543 93008.22596 246172.8843 34389.03472 264436.8721 82255.38109 46646.29364 16646.8114 16376.42769 57291.76688 243589.1522 326801.0112 574986.0599 118806.3323 979160.2574 152863.3011 11267.20342 9427.376317 20665.33066 37446.94219 75907.88082 75281.45077 88458.56953 39840.13501 90246.38262 27875.95886 59771.84601 61266.92608 233863.6338 633287.6694 267875.8063 38696.27178 32553.59581 17375.55332 179673.7301 113684.7061 56606.98523 37202.59176 46424.43261 163102.9401 155987.9986 43548.6994 147227.6799 57883.22213 426976.1022 72556.2855 26959.71968 46841.73711 18428.72656 47935.87211 120506.0401 70659.46663 22601.62938 16451.09943 13613.63508 26135.72139 95922.43104 49931.28472 651543.3402 325325.67 917922.4275 71005.01767 263243.9168 238291.555 93486.07568 262646.5755 311478.0524 30377.96514 57465.94548 126292.2358 170283.5039 424090.0253 250350.7786 368230.475 620320.2606 975474.5471 226493.6797 340970.1202 123903.1812 18806.91354 29428.2979 33601.7881 118401.0085 319454.6443 199241.2467 21-Hydroxypregnenolone NA NA NA NA NA NA 6857.670188 NA 14717.42545 NA 10242.97219 6845.217899 12871.6432 6062.386094 11762.54972 2476.646165 5604.294622 7192.057637 5372.234568 9020.636166 10572.33572 12229.00416 NA 11594.64164 7944.168991 NA 3778.015104 3153.216119 13562.46767 NA 31449.47372 2521.466856 17836.20625 NA NA 10470.26524 NA 25268.29043 36324.48511 NA 931.9629687 23896.42212 2000.137835 NA NA 7271.894149 NA NA 5166.152698 16359.74921 NA 7997.71949 NA 17290.17834 9278.536017 NA 50293.01074 62491.09982 NA NA 1680.721739 6890.144286 1512.712267 NA NA NA 6537.600256 6755.810068 NA NA 5904.033886 8463.001465 NA 29578.7992 NA NA NA NA 4272.086439 NA 3532.54037 NA 6842.778055 NA NA 4913.448295 10529.72082 NA 3579.799081 3335.325097 NA 7141.161284 NA 2546.304213 NA 3633.939826 8056.512786 NA NA NA NA NA NA 14195.95885 NA 17003.29402 NA NA NA 9414.063306 3094.768182 1583.853364 17641.89097 6297.093511 NA 19786.17351 NA 11454.06411 20812.53103 30968.08491 NA 4867.58686 8628.049154 1542.207167 NA 3753.394505 NA NA 5189.328092 NA 2713.442806 NA 6256.480215 NA 6863.160068 NA NA 4919.674125 14723.5643 NA NA NA 3067.132891 4671.086194 2110.809381 10612.38559 NA 8016.947397 13062.46541 685.7498284 8978.173812 3659.848709 NA NA NA 8252.366685 4038.088613 7790.131013 NA 12176.65463 10002.69131 4471.366683 NA 11833.58926 NA 9721.304279 3958.088963 NA NA 1269.926813 1270.422958 NA NA NA 5876.747685 18480.29122 30801.93828 NA 5767.015367 NA 6470.092244 8026.528272 NA NA NA 2393.383035 NA Naproxen NA NA NA NA NA NA 13808.98709 13886.15259 17276.58572 16224.4132 14393.6078 16711.55786 17847.82891 18725.81824 20350.42175 20166.36019 17202.76679 17544.1844 21128.47498 21111.00366 23375.59164 21146.9297 19821.93033 21343.24393 19984.93435 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6407.155094 3601.070119 19079.99579 NA NA NA NA NA NA NA NA NA NA 5768.212178 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1509454.941 3229565.325 832102.8883 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate) 38455.09178 2304.481303 3073.715846 23855.12541 4165.729057 2689.437065 8266.525856 9876.646422 12523.51167 9894.099381 15621.42376 5643.230522 10747.52862 13821.76518 16429.02409 9220.567658 10951.89737 13279.48899 7106.180522 10324.77066 8692.535206 7485.526469 12232.28718 8840.419089 12388.57583 4909.531628 5910.671895 5626.831164 6264.766177 4301.027802 2759.516798 6490.023465 5027.98638 8081.990244 3807.833985 7561.140941 4636.567888 6982.208866 4922.566709 3903.713219 5056.209879 10388.2612 5342.881055 6459.678536 3856.667793 11224.59903 5890.204126 5542.723113 38071.5533 8865.12796 4948.552161 7809.10676 3134.977276 53854.24862 7102.786849 4383.675478 5313.790346 10709.13167 6628.923131 14124.27804 7031.506255 4445.631646 26118.96613 8932.863044 4825.891021 15120.306 6695.769336 12276.62967 3919.55916 12765.63561 12592.07633 7390.528428 3410.26663 9034.626686 46769.89039 4610.860755 4255.354646 7353.115304 13448.74904 5478.575981 73020.58074 7333.549837 9134.881321 10057.41137 5877.13994 8616.326103 10380.89607 9007.386783 8053.398482 5272.76574 5542.75213 11752.80805 3019.632093 11036.98889 4276.099013 9073.314661 5762.928816 5011.940537 5886.947527 15319.21307 6423.624679 3930.32602 9853.401595 7346.05891 8282.359642 54731.07381 6522.512939 6185.727415 6509.939598 7197.735142 12159.15282 7376.172807 5805.519944 6611.021003 5974.073519 21619.4024 7542.24827 10519.20773 7255.973939 6978.618586 4425.81236 5531.161411 13525.36687 4415.466573 4037.765884 14117.70358 8560.235335 29618.2091 6953.667872 3192.06487 10957.71653 4112.703709 8143.814144 4478.517506 3955.981468 10504.38937 5896.160661 10503.68625 13783.5732 10684.24943 9611.14154 4011.722145 8136.097481 9762.033568 5412.605382 7562.152068 7266.947354 7031.269567 10282.75583 7398.687885 190945.9278 18625.76761 5036.032777 4767.995639 3595.477528 10503.58107 36104.63907 15764.16215 3830.338001 9404.215241 7185.000641 14042.65775 4177.959993 64302.46393 6276.053668 9542.546648 6279.501136 7528.938528 7226.422567 53855.4792 8591.544548 4583.576554 10129.08427 4114.255671 7162.5396 14741.89844 12574.39401 5117.357228 8286.206974 5002.359965 20179.88411 6665.819578 6915.377161 6867.617514 6519.996751 4427.407639 9262.157093 Epipregnanolone sulphate / Epiallopregnanolone sulfate NA NA NA NA NA NA 40020.54459 46772.65263 48092.76835 43280.07955 52240.50701 44046.35598 41522.947 50513.30133 41156.21849 45725.69073 35331.17101 29612.07127 39825.73552 42348.64838 44466.29932 36599.52702 42061.10191 38413.57399 54098.1102 9320.793412 13774.27685 NA 19843.87452 21077.14875 NA 36383.66722 26612.24566 49842.80181 102047.9935 88038.14486 45876.1695 NA NA NA 16746.12127 13856.97552 16841.47284 16849.99084 NA NA 124781.9612 158675.04 66493.45393 NA NA NA 20134.09697 NA NA NA NA NA 26182.19428 19342.59105 35802.41276 NA NA NA NA NA NA NA 8396.915863 NA 94158.46901 234372.4204 340992.0351 NA NA NA 11353.22631 NA NA NA NA NA NA NA NA NA NA 11933.38914 NA 23773.64142 7894.354869 NA NA NA NA NA NA NA 17505.40741 NA 125263.6082 190914.1445 54146.19747 47013.2791 43986.89679 32790.56979 NA NA 16939.50709 NA NA 24195.93213 126846.7561 225148.4793 282256.345 NA NA NA NA NA NA NA NA NA 17379.59659 NA NA 68141.89871 150771.5912 1604505.789 43450.36107 100745.8308 72318.75813 NA NA NA NA 24481.43677 NA 66957.02191 84575.76941 10974.33647 34875.2052 16095.71741 23834.70898 NA NA NA 23407.71622 22327.92717 NA NA NA NA 800363.2817 494051.0626 244245.2934 12748.50259 17482.7285 NA NA NA NA NA NA NA NA NA NA NA NA NA 16000.24576 7221.759749 NA NA 21043.65169 NA 13816.66486 11656.46004 NA NA NA NA NA NA NA Dodecanedioic acid 57993.96826 82394.99227 34993.2643 35811.50093 67742.92618 27394.87349 182659.2154 167322.7904 193027.0734 180733.5214 231633.5281 181769.0308 182460.1184 182018.0099 193662.3584 182191.3095 168813.1452 157313.0792 164503.5214 177556.0579 173036.2332 178907.8637 196698.8232 192247.0956 194879.0043 88531.21972 204143.8345 108215.7254 350776.0745 65237.43012 121561.04 183867.5249 151949.0482 321487.7427 56523.47439 178595.0815 120537.7538 268893.0158 133907.2881 87756.59881 34522.85155 127842.3171 180754.6595 204524.9143 69537.29403 96847.61359 234882.1694 49508.3737 132387.5728 140513.3784 92448.58491 146249.0848 108582.0221 174773.4306 209277.8128 71372.1254 278545.7223 184550.231 199838.9916 96944.26202 66418.98121 197405.8347 110839.135 102914.1225 55045.89689 114504.3192 159390.8522 208184.8794 42836.46861 85900.6483 121671.4539 68173.90064 47511.20827 236005.7878 91318.59641 86055.70804 62397.13622 195915.9438 120535.3188 143779.056 242060.4335 302508.1673 99293.13023 244539.4896 65349.6246 127394.5457 116352.0084 69746.37292 158107.295 175058.8841 71376.23419 165668.8713 55800.45353 79238.82179 70610.60058 215108.594 133715.8041 56308.91812 77028.16248 156311.603 133923.0835 42978.08023 96325.70667 190028.384 118941.6083 68781.1085 88798.22634 97428.14521 95501.49606 135189.255 72368.52934 122534.4056 140348.4504 126472.7647 49208.57341 61891.69346 91182.18249 105305.7907 171877.2244 147472.1582 179177.3426 161515.7833 279185.1063 105809.176 32759.00904 53885.59377 185701.1313 119022.6374 144612.0021 25456.49798 83244.8225 56442.47601 97222.17597 79811.53456 188397.7956 86235.49156 34241.74935 119672.4928 180387.4929 197905.2916 204327.5699 53790.23732 79328.49982 112780.3261 41931.23628 167652.8156 64768.2065 228346.3256 359116.3939 27217.42569 155990.364 91522.89912 70776.85817 134217.9037 38563.6777 228518.9986 80957.96585 73807.71019 56616.4283 264992.8101 188116.0919 71881.5004 41384.28401 100624.999 55469.61619 147673.0493 186707.1721 198459.3462 79403.71273 127214.6173 192351.4597 69857.07724 181014.0926 123275.5444 215366.6912 196992.4891 333426.1331 99865.31492 199936.8928 84671.70155 107778.8203 88649.46456 46112.09063 97555.11455 95640.22478 81087.53626 242101.9074 Taurochenodeoxycholic Acid NA NA NA NA NA NA 220646.0534 218928.0226 232957.5206 233080.9354 262508.861 217129.2001 232781.7634 229916.4803 249918.3278 214425.7054 201370.2738 215147.0338 193999.9352 209680.1888 220296.4259 216300.1033 236804.5426 213906.3276 234779.8139 40926.14361 26223.79446 23328.01329 142673.4401 185332.7768 91249.10559 42953.37571 19789.93092 42451.10771 113149.7076 82991.6092 40681.75884 51587.32341 35346.43291 66663.34974 287835.0091 106854.2715 239490.5153 556724.7902 619923.7621 232559.7916 147167.8455 85317.57314 39171.32884 221748.2845 690267.0673 421490.0494 498645.4183 194041.5961 189316.5503 49326.50285 29493.16625 26983.36036 287358.439 139365.2005 539960.1285 395325.0903 189436.6912 468074.044 484856.6226 171364.7551 269380.9379 51934.13567 46480.79579 20355.75618 161771.414 325763.7494 457233.7142 185698.4715 69524.12355 244795.8467 180909.5719 104792.6368 64350.04625 180812.6206 50510.0631 108074.5742 22188.30498 41727.08164 45690.94088 319475.3221 160266.4962 644470.9338 216621.3904 373563.3219 534835.5 31615.5357 45164.48345 26145.10849 88469.61792 48796.03598 33926.41391 62920.5432 35696.43005 26295.45627 409176.7382 574662.2333 183279.3018 75055.16318 129782.1025 35281.85759 350129.76 116300.3184 163216.5029 49152.02171 25662.7536 89659.73842 116445.4238 193443.0271 262600.5143 225683.0474 1657106.027 401349.1904 27821.85328 17979.35956 27000.66246 50042.74886 119847.7089 139504.2278 47044.81693 24127.64089 45754.13492 38167.45381 80436.52299 122121.9016 403432.3113 1161797.74 636775.4347 33459.78577 31689.02259 21972.46293 98806.40536 67181.35281 43318.05485 66793.94728 72058.43322 190621.5762 111578.7786 37966.67309 113090.6217 233320.1815 336808.7288 339635.4277 46731.37868 87548.46774 28226.69424 60125.3997 164129.1988 103900.5728 140963.3387 105773.8337 44813.19071 38032.06237 139423.256 73173.15565 267038.3406 109391.774 373619.3682 82470.22191 275651.1463 269861.8114 55571.63484 160476.9608 176814.8527 43083.1364 81443.80993 233208.1115 94423.55485 227619.2308 155419.459 213138.0532 402546.6286 555221.6629 615189.7188 872091.3296 316382.1241 28535.03313 60308.1655 58251.68725 68068.89336 184869.3172 142809.6803 2-Undecanone 9085.997141 6073.709718 NA 6012.887534 4713.781901 NA 16201.86111 11551.32792 24155.48757 13598.11645 24609.55596 12457.59355 16353.94316 14890.67265 13874.91683 12961.872 14496.81133 17848.64244 14086.62457 13820.87829 15370.33486 19396.73732 16709.47208 12704.51003 13537.76031 NA 15705.3621 9033.064971 31564.1786 5310.322073 8147.914993 NA 11038.32684 18489.76664 NA 21074.61256 18370.62586 33471.30572 14471.40825 NA NA 25980.33001 17661.58928 5682.799813 4762.05406 14777.13496 21756.85857 NA 28818.61773 27255.99238 13806.86992 17843.90006 5271.008481 28764.9748 20816.43546 NA 22748.54949 25693.45907 26776.40673 12554.26568 NA 16569.44054 14157.14001 NA NA 19035.63959 12539.55641 16730.21361 NA 10615.24673 23307.817 11276.83381 NA 18391.50572 13189.83195 NA NA 13877.58354 15527.75548 NA 41871.80366 17423.9687 7811.946905 15103.25747 5786.131268 9584.370551 18412.53511 NA 15160.35141 9572.147908 NA 15483.32001 NA 20798.63774 NA 18335.86112 18536.00939 NA 16142.7775 24569.82215 7786.739098 NA 24400.00183 19483.957 NA 7609.612114 NA 10263.88401 14540.55694 13737.06589 5915.528837 NA 19434.98471 15704.89366 NA 12397.93411 7918.850162 21818.86166 25644.82249 14412.13949 NA 18233.79345 18247.09218 NA NA 5051.294566 16847.08005 21360.192 13761.03528 NA 16872.47947 NA 12054.00609 NA 19526.74122 9318.776996 8743.407185 17429.78254 40834.96599 37284.93332 16297.15893 NA 9168.134505 18948.93308 NA 24627.27475 NA 23288.33736 17797.33161 NA 13639.91774 6206.477227 NA 7840.79354 NA 18859.1438 6898.025697 7266.490392 NA 19236.53774 15116.91467 9663.946526 NA 12901.08497 NA 18460.66256 42850.049 10010.37981 NA 27452.32012 12923.47993 NA 30772.34517 NA 15869.05798 39291.01856 27214.75192 7049.250138 13098.4388 7085.078623 12440.73794 7797.037809 NA 15016.42794 7386.530094 NA 14561.74863 Omega-Hydroxydodecanoic acid 8096.995307 NA NA NA NA NA 14552.7159 11123.74973 13061.12879 13785.25075 11483.50093 11884.35627 10006.02734 8821.788682 10889.84038 12854.56777 9927.037192 15074.34035 9212.58891 12191.54836 12014.56616 14868.12206 12528.985 10742.9011 9399.184769 6813.415788 10825.26128 9307.046832 29138.53069 5835.560159 8082.468715 7830.853223 11731.19789 11976.29731 NA 19311.73028 23656.19013 28221.73866 14282.97153 6153.044357 5443.907287 20843.54484 20153.92938 10030.9911 6177.114898 13756.02442 20858.46175 6681.800236 26375.95685 20346.30648 NA 15551.68321 6441.890033 32494.13745 19356.03064 5077.814539 28887.23852 29145.72929 19460.58284 13940.43236 7868.548146 14893.20364 12324.40762 NA 6127.192992 18001.04166 12663.89537 16689.27727 4644.48569 7664.948054 22141.36701 11398.08817 NA 21004.68483 14684.1405 6893.841768 5857.741595 15694.68197 13912.80513 4887.000275 38004.61376 19285.67621 7343.528502 14084.62067 5883.991536 13380.27126 17704.33723 5254.639276 13379.20962 10947.42387 NA 15893.43536 6214.879972 16439.83577 6180.430756 10805.90111 16534.33733 5381.752067 14872.11713 23406.38778 9971.267941 4797.591044 22460.2074 18034.62346 NA 9353.026122 NA 11160.99123 12498.80176 13573.59489 7585.593277 5264.367781 22764.36875 14150.43528 4784.112499 13618.20234 7754.687848 19675.22795 24306.6669 16372.9699 NA 15259.60104 14469.68364 5913.555855 5338.16506 7324.503224 18518.21921 22692.18421 15321.03989 3918.164449 13427.17719 2966.007501 9300.12498 NA 12859.44956 11373.73584 8349.789668 15844.34924 38692.4303 34349.55513 18251.57276 NA 11249.41578 14818.27299 3747.577642 26848.97308 3978.144245 21707.53421 16532.32112 4888.901399 14868.38617 9063.13867 6478.609322 9113.452769 6470.7588 17161.30946 7552.537829 10005.66874 NA 21641.97826 13940.10308 8724.426475 7177.672784 13184.3948 NA 14904.31884 38723.835 8683.302858 8295.511745 24390.96826 11548.64116 5060.997206 22669.08062 3837.082466 13593.30832 35608.80233 25458.87775 10543.56807 15280.76847 7687.023181 16940.92331 7587.881755 7349.305134 10894.6761 7259.183943 4613.170227 16238.28706 3,5,6-Trichloro-2-pyridinol NA NA NA NA NA NA 6854.085764 5914.914113 5766.235335 4837.369201 5679.432227 8071.208952 3607.478936 3992.441335 5631.782481 7121.956682 6945.326108 NA 3933.41087 NA 5719.7662 3718.670096 4303.803413 5814.066897 7848.218255 3603.019122 NA 2256.963425 3129.219101 3398.459913 NA NA 2844.730416 3233.628282 5063.160028 2632.897675 NA 3854.385642 3618.211522 2023.936084 4203.307909 NA 4643.833689 3462.797766 4549.046131 2739.358877 3627.79575 4863.501607 4053.1181 NA 5139.749732 4249.048212 5466.658731 NA 4680.318352 1653.033398 3314.060974 NA 2213.360961 4030.831927 2610.752121 4480.292204 2817.868951 NA 3413.49556 5081.690171 4418.686491 1641.789907 NA 2339.410236 3280.719721 4433.456734 4200.274185 5730.004374 4579.601086 2296.107461 3292.231104 NA 2975.418003 3235.345521 4026.498445 NA 3851.329514 3410.724489 NA 4573.152689 3348.372914 4272.791142 1897.283703 NA NA 7705.265266 9555.639934 8516.750419 3109.735658 3754.020011 NA 6513.824665 4537.535474 2573.052114 NA 3464.996424 NA 6471.091592 9215.458839 3031.154648 3923.451883 NA 2605.525754 3163.619107 3650.178892 4711.3579 2478.405271 4737.543582 4924.572087 3342.071846 9416.397251 2980.244837 7038.405373 3783.212626 5588.169095 NA 2737.819785 4316.911698 NA NA 5249.845499 2598.716313 3587.402977 3796.481651 NA 4349.520704 3810.090308 NA 3506.48062 3020.172758 4099.252747 4523.511603 3716.957439 1894.956135 2419.864379 5395.279824 3836.464083 NA 7654.236111 NA 5377.085199 2662.987702 2531.894651 3157.544526 1997.707853 3423.355876 3251.766714 6797.219027 3970.264392 3887.665588 5035.925548 6179.023372 9864.408231 7165.387007 4624.169155 2227.054509 5053.727534 3246.214619 5118.87424 4986.98249 4150.706457 1762.37241 NA NA NA 3640.218876 3667.704625 3275.329756 2188.909022 4964.731596 5341.554638 5492.878354 7865.950297 12507.1789 4885.440026 2901.638574 5446.808389 3270.148542 3478.720073 5362.143922 3751.752734 Perfluoroheptanoic acid 26847.81574 20438.83812 10720.21331 22800.99299 23751.57101 10262.07784 74635.96348 76950.31511 87482.06678 91240.7701 95668.22287 86270.77554 90974.14702 91005.05749 92635.33735 90185.74414 92249.8642 91246.27724 103157.7864 100575.516 100620.4501 102246.6859 111762.32 100889.247 106081.7407 112096.4185 138862.6641 124882.5785 205124.059 106044.6678 114702.5579 100971.2906 103818.6297 163240.609 130900.3384 178419.6801 152738.1638 290330.877 155480.0203 121327.6271 107779.1602 108062.7091 176111.8422 113820.4259 98610.54613 102562.8553 182420.5367 122011.1365 151581.1544 75546.7377 48693.69847 83545.53392 53886.31399 28711.68578 76864.83043 54003.64575 130856.1632 79861.86799 106595.8205 100435.7984 99645.1188 106751.5519 82785.28089 66708.15322 67241.89638 61986.59089 82524.28476 84425.63445 57294.07748 57019.11894 87260.4706 142949.0754 89100.23995 184722.3542 74135.97984 70711.30668 83865.72017 120511.867 79073.95958 74391.54469 82838.4358 91131.86977 93909.19239 100860.6339 121380.5672 132650.5076 101613.4891 99072.35985 100881.8014 97786.77851 92947.25181 143784.1228 101429.425 107392.031 100562.8282 146032.7397 82191.2436 117115.2229 145163.8859 107072.4485 125233.6074 124262.5165 128806.9474 225544.797 124346.5326 154610.2909 131384.5022 142850.7151 152632.1141 156261.361 105238.4013 100589.0723 112070.7816 218606.8073 88354.01947 87529.34865 82314.92467 135175.3972 195754.5442 84570.60841 76768.28599 100432.8926 112296.9517 80150.65437 75288.29595 71036.9244 88943.0584 67263.32166 105836.7332 71086.26863 69152.02318 70157.17683 79364.29625 46692.90003 75334.58825 64231.8156 70220.27637 118359.5961 81786.51534 71474.40053 117351.3655 76719.76579 131868.9422 87343.14205 60911.61507 48635.50297 85030.50261 77550.34402 78791.40614 57366.13107 56106.60489 64590.44241 61792.9419 71570.48171 71416.14877 115517.3741 69131.70971 61023.3016 61509.03193 114042.7213 79168.41774 66097.62987 63380.10255 65958.95872 52855.83805 136478.3001 93198.92284 100973.1742 70155.23608 62501.86658 80964.97849 88873.18691 93398.76249 77724.42132 165916.8988 132200.4275 234660.3292 118476.3385 179135.018 95290.9696 85594.25992 81715.82988 86096.14528 107556.1159 103598.7913 102328.2279 107372.3591 S-Budesonide 69373.01005 72285.03843 65713.89642 47505.14958 59847.88863 51258.65323 98076.21056 98718.5971 104624.7967 124724.786 117066.4972 93004.01872 94939.14948 97663.7363 107280.5628 131603.9485 100161.682 85359.70534 114561.2462 111723.1225 108562.3935 110620.2519 128319.3907 90131.88593 87729.02284 75677.70095 77032.77878 68877.70759 89274.33402 79975.63022 67399.75482 109101.7165 72626.97785 97578.43446 80405.88126 87582.27736 64286.61443 93001.96468 83698.77334 97194.97882 83402.44422 76167.30681 82666.31899 93523.05185 84844.55626 66997.60761 89533.27812 71047.98229 52675.32869 87014.21464 88891.28308 94385.338 77294.44082 70842.53365 69370.93642 96206.44846 99806.19679 101569.5006 68143.21459 90701.27634 80659.61019 78850.76273 72870.63632 78485.76131 70478.09508 63446.15514 70618.62329 76984.62092 67816.96436 80684.36435 222831.0752 66426.58206 88790.04703 108785.4086 79171.26596 93673.95327 69937.4311 123751.5396 84776.71749 82563.44152 67891.9979 95043.45559 151721.5152 262473.4515 113548.4552 82093.70159 75246.05799 84621.60236 79605.34943 76657.69237 76024.01379 86464.71385 86132.42453 80451.84334 85480.17318 88972.88796 110809.3329 83366.2317 78955.02708 72655.55458 77899.79592 78808.99325 58531.83424 79526.68158 79732.24992 66013.06435 73943.76624 75576.15144 76192.2377 78522.54014 60344.98893 107991.8411 93357.29252 72671.11512 64456.20469 71036.94886 85142.71391 100338.4419 86109.56024 69517.81961 203368.0157 67510.55658 72657.86907 65166.88354 84780.67181 66831.33744 79606.03483 59620.44092 82606.24094 57198.9284 56782.43243 92823.31549 71822.85524 69508.56052 74812.04513 70812.18745 72744.72406 84304.69525 65454.74382 96738.71899 72186.95886 58629.14468 71685.94791 75161.22718 83121.97202 65033.02809 87222.2132 67306.82392 73595.7719 82854.27327 55517.25406 67814.89616 70472.56702 66072.40017 62735.84763 73195.36736 67935.55244 65488.8771 76718.47051 83207.6862 75886.51913 65461.3166 71496.74609 66904.62225 91307.12339 76870.39089 63127.90098 86213.22953 79985.48663 68082.01017 71085.2938 70318.04814 78518.09964 90624.76418 68890.24411 62927.51985 86834.76189 89832.27128 82583.80229 72949.72929 73725.62228 81353.6226 77537.87835 87154.19884 67743.21092 101625.2362 77879.65732 Butyl Paraben 87451.28297 117240.7198 88972.27955 46436.55172 78001.44865 60050.85856 94698.38178 81173.39912 101727.0952 85268.073 106029.2892 81271.49611 99612.15341 90621.22634 92332.99104 93903.07552 78975.15925 71979.04648 80859.36005 81953.35472 56455.67663 86335.39344 95713.46231 85176.73954 72091.31727 128953.8551 98940.64355 96857.19411 102888.7369 114624.0161 97976.20467 88584.99901 93191.06095 93955.25838 NA 105072.6509 NA 122627.4691 104956.4959 102104.547 123975.718 88269.39938 110955.5677 NA 121266.1291 71637.91384 114776.9015 139317.6809 79783.8104 88386.86123 117111.3059 101953.721 122090.2085 88438.56316 NA 116793.2136 NA 100758.8764 90517.84341 86347.53217 130171.9718 104169.3028 97239.72586 129861.2884 115096.2715 89236.74905 105388.0126 104225.4546 114447.2064 86738.03657 NA NA NA 90594.0965 86007.06141 95703.15328 130480.2093 NA 88395.2308 NA 72735.10218 100682.4994 74808.91744 90036.17205 119812.8908 94427.0545 71187.24846 115429.7806 78357.28342 76224.60064 97366.48703 NA NA 79536.33964 99723.4518 84547.52028 68291.68273 111220.6423 89607.5562 84308.56484 NA NA 57302.57892 NA 83289.56101 85445.83762 92058.95279 83375.97868 66383.42315 92833.55877 64974.548 93040.58485 NA NA NA 64348.59761 NA NA 88386.5845 67169.82764 NA 72789.87046 NA NA 85919.65368 64939.48671 65248.17413 52978.41557 77154.78511 NA 69332.57731 NA 69572.12847 57132.49104 98485.51829 81944.46927 95998.54044 76988.87666 61491.11274 68738.54602 67101.85179 64748.11983 72007.78604 67339.69271 72521.93934 73560.83231 NA NA 80236.9944 90417.65494 77352.57579 74723.26575 NA 79541.95157 NA NA NA 56871.8646 111818.9076 79805.60306 81748.86901 73035.95795 90264.67804 61115.51732 103983.9191 105163.072 64385.59024 79105.90432 95327.99185 61379.46902 66615.35443 95747.76671 79080.08964 84052.09867 82261.88397 73361.67966 100619.0411 83150.86846 88238.88568 76303.41325 73946.56728 67991.39502 77695.5774 58536.10977 67740.58077 96918.54196 79795.58026 cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate) NA NA NA NA NA NA 49516.39752 47620.61227 57294.59788 51898.56453 64335.1357 54115.73586 55958.16711 54614.32255 54346.67829 54786.44326 47388.15819 54847.84425 47655.37997 49933.10753 59611.17988 47091.22028 60291.21426 53847.0407 49757.12788 3561366.576 2092199.645 1341609.683 23387.6005 NA NA NA NA 20944.9356 NA 15779.95153 NA 16680.8151 NA NA NA NA NA 21884.87888 NA NA 10413.04725 NA NA NA NA 24078.08166 NA NA NA NA 35029.58913 6009.432159 NA NA NA NA NA 9833.860314 NA NA NA NA NA NA NA 28631.23963 NA 30829.84115 NA NA NA 13762.28682 NA NA NA 11891.53455 NA NA NA 36832.25712 NA NA NA NA NA NA NA NA NA NA NA NA 14022.6045 10480.43526 NA NA NA 10308.18092 NA NA NA NA 13905.7532 7529.186217 NA NA 91528.66817 169650.089 290215.709 NA NA 10666.24014 14802.00207 NA NA NA NA NA NA NA 16442.01379 NA 22337.66855 NA NA NA NA NA 7867.726631 NA NA 27868.30573 NA NA NA NA 16305.0184 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 10783.00754 23713.12597 NA NA NA NA 9819.845402 NA NA NA NA 10163.69312 NA NA NA 12650.6206 NA NA NA 12253.21836 NA NA NA NA 6800.033047 NA NA 22351.19991 Taurodeoxycholic acid NA NA NA NA NA NA 87805.90424 92442.58967 105415.9955 96784.09659 113167.9517 94129.55382 94836.93182 93938.52071 95625.39075 96999.01297 88783.68759 86808.64626 89936.67336 96185.87791 93185.53922 92209.82356 94506.91637 93605.04307 86903.64058 14655.28403 11004.50393 11458.84523 111130.501 137179.8576 66066.88201 18048.13664 NA 20086.72697 43620.4412 27092.02117 10683.75781 42917.08453 26772.30897 50642.75817 35073.52069 16579.30541 34343.33545 196217.725 228679.6895 87205.20106 67165.54018 28448.83001 18399.27083 100159.6822 281527.0611 203265.0905 110975.6609 61781.67205 48762.52413 NA NA NA 234271.341 112452.9545 411185.5158 152247.925 75905.20947 174838.035 274896.9789 109655.6568 170365.9146 NA NA NA 51476.40626 113382.3721 163650.6015 110592.2698 44987.93187 138911.1167 108992.4369 78773.9725 45939.43931 169888.8359 52793.84293 113385.7724 18667.37031 33684.2193 29906.26717 NA NA NA 21711.52137 38812.20804 51135.27676 17381.90936 NA NA NA NA NA 6853.980676 9739.282427 13215.84878 176652.016 250197.0587 77216.52138 107794.6522 144530.3 39359.89879 283958.9334 91139.21477 126513.6664 31787.46303 24875.73363 47194.68644 65285.70744 127097.6999 158525.6164 80761.69715 439784.2205 138244.9396 20406.73516 21107.26294 20982.16695 60993.04294 143528.9124 165490.3536 47095.69646 18498.45337 47037.78626 NA NA 145770.4352 26956.83568 50662.02534 38072.85144 NA NA NA 17866.10024 20524.81608 NA 50181.01209 75732.9043 41361.49099 61790.13065 23745.73692 57274.64782 149201.3005 155947.9815 228857.9542 47621.07676 83990.55244 30515.73676 42974.03075 92961.70279 74042.79943 52208.83273 48827.01054 23387.61561 13905.06559 43168.89293 28851.3153 98733.61718 35198.74042 110569.8971 NA NA NA 29954.19944 85455.49528 81965.14092 12116.79267 28270.86444 60512.22821 63146.70502 154600.2297 117476.4592 116855.9606 204411.8058 275846.9487 146369.9322 202026.5277 68792.61147 NA NA NA 56469.31637 118051.3225 95618.38374 Perfluorohexanesulphonic acid (PFHxS) 33818.73414 37939.30538 39413.79163 30019.14919 38970.47405 30830.89477 40666.81791 38029.78612 47438.12257 45726.54965 50443.07357 46494.24871 48116.86317 43535.14232 46762.73579 44289.80422 44769.93024 42780.52458 44557.70176 47434.04025 49885.47387 47936.34382 59279.93387 49147.42293 49227.4266 45786.01205 41754.06166 41596.89588 44718.13718 44561.81081 50303.96885 91727.39063 54711.48638 85972.2923 52450.79914 51969.68385 49942.02533 51357.55462 44830.61296 50294.41067 56600.73095 44705.31374 48870.53422 49462.13353 51553.69769 46646.59437 51804.95859 55389.73059 46080.94205 53713.38891 59789.36023 56240.38053 67974.54469 57942.81835 46409.58638 66269.26781 53998.21923 55093.99532 54225.76101 52020.82951 66143.14711 54280.43265 52481.38773 56214.34851 66478.00191 48592.83434 52902.13204 55510.36679 56968.29224 48783.22696 55840.99007 63209.18665 76501.40637 52093.65681 44145.19447 52049.26518 52120.02837 49193.3702 47485.44817 55703.15717 51059.81102 53186.99387 47638.29384 62680.16831 66687.16494 55629.42029 47795.56402 54143.73265 49926.79235 54569.30843 66472.41056 53919.29804 56808.04809 58835.52175 67853.30562 58925.1717 52880.49113 69069.5852 66072.1739 53718.90109 66011.42184 87067.05942 56255.2311 69759.86033 64530.04546 54806.88138 56798.73021 45564.88196 51488.18334 48448.93278 47297.18 52443.87806 50987.93302 56324.77873 56836.95799 50517.51883 67475.63743 55059.91425 60746.13338 48728.47307 51193.08388 46868.65084 51152.48146 53052.58874 68643.30779 50320.49219 64564.66208 49615.56641 55855.59766 59788.73072 49566.84618 48826.08186 50412.91612 89056.72339 61785.09447 57861.86495 61107.85987 52898.17054 48175.98536 50524.15916 47459.60137 57704.21857 59769.36758 46505.56205 63675.76044 50108.98093 77243.47889 51794.90629 63944.94129 86128.21984 58299.70543 53921.31233 56838.40897 53181.68361 113938.6842 86489.06318 69077.63551 61342.08644 92743.98982 72910.18412 63051.79351 55495.44314 60835.00487 51441.8142 60397.27368 61871.91047 53852.69751 62995.70275 66454.20992 47451.0799 54886.02365 64831.42862 54799.45026 64120.71171 53985.45624 53452.55489 56491.88869 62609.8299 51628.64487 55881.94355 52481.25799 49845.27603 54934.5234 52267.57181 52753.84844 60116.48537 53993.30242 5beta-Pregnane-3alpha,20alpha-diol glucuronide NA NA NA NA NA NA 103336.6139 96679.50313 114095.3299 105297.0945 114307.118 110688.2632 97638.6714 101602.2273 114365.4824 99668.85737 102448.2788 108742.5373 97596.15924 96772.64025 106352.4195 102490.7093 113236.8398 105180.6541 99410.54265 45264.41321 31527.385 20274.96992 34444.61478 37218.14082 28969.66469 276440.8436 76014.04636 211713.7068 466245.257 316536.4088 156729.5672 42008.84057 25456.92031 47291.78145 54099.39135 26672.50408 52249.59185 26150.78859 29041.87178 NA 161347.1068 314747.8907 119779.8913 NA 41841.86715 26335.64284 41980.09948 NA NA 40383.89448 27704.93933 NA 52190.52667 31887.82101 96000.36966 37696.34131 22742.98429 39319.40899 30732.08347 NA NA 37989.8374 36348.76356 27696.21577 114863.4947 197430.2221 288213.121 23487.93447 NA 36331.84836 33984.06904 27497.62642 18450.50914 37900.43476 NA 14997.63566 NA 19830.39293 30162.88309 43793.07767 30180.47316 87824.78717 21479.48826 35672.15211 39521.00234 NA 27007.67481 NA NA NA NA 21584.29616 NA NA 139617.0211 181875.7799 62816.99047 52531.94825 95320.99641 30244.61363 27067.40146 NA NA 48271.65502 41683.44637 111298.4332 138155.9452 226779.0947 363131.5607 17297.09725 52854.45147 18589.66667 35107.87461 NA 58118.94455 NA 34628.86991 28884.01286 41215.44493 19327.14642 41124.18765 73550.00722 189250.9289 474728.5671 78355.55185 251286.526 124588.5848 31613.84296 27325.44709 NA 26197.10229 21209.66667 NA 87885.12686 97913.48338 23551.25291 51830.46309 21116.51733 44138.2931 NA 26411.69818 28335.19642 45724.37453 65888.09413 23828.69931 NA 25061.34905 NA 1276904.079 791548.8625 397740.7324 27017.78369 72023.92508 43257.31426 23469.27977 16607.0503 25303.9982 25782.14914 54511.27915 56637.26626 22123.24089 32323.54249 33829.99157 NA NA 24351.58138 20128.1218 36261.00053 20787.21364 46982.85103 68645.00834 81909.81595 27774.63108 27341.2949 22546.74457 20840.83916 29780.9936 26917.66718 23406.38421 42543.84708 38959.20514 1-Hydroxy-2-Naphthoic 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 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3251.043043 NA NA NA NA 7178.802597 NA NA NA NA 6780.01732 NA NA NA NA NA NA NA NA NA NA 5012.433297 8873.032885 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3703.216219 NA NA NA NA NA NA NA 22721.56701 8166.342148 NA NA NA NA NA 9279.978849 NA NA NA NA 8021.300418 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Hyocholic Acid 4589.192114 4525.320056 4864.605951 3327.320582 5835.785803 2463.322403 6013.751759 6791.500323 5199.81194 6207.515031 11390.55592 6427.259681 6487.402936 6094.956958 5554.906637 8492.635341 7499.896273 8924.628463 8969.150201 10204.47457 10093.65297 4931.112124 7739.164271 6477.089407 7446.080536 5884.577727 4247.086132 7701.05285 4564.912206 5195.40289 3714.29317 11755.77936 5723.764997 9648.959728 7487.098999 4936.067988 3604.136095 3785.621867 5371.743563 7014.109798 4411.811476 5943.02013 5541.583929 7375.030827 6085.426797 4733.170669 4721.215411 7678.25649 4485.864339 4771.004877 7420.340212 4168.209133 10112.18401 8841.244548 3772.507338 5392.896035 5502.07944 8288.426245 2956.666915 3449.456514 3760.132852 5331.934441 5339.506298 7468.258421 5048.817021 4650.7497 3834.548159 6093.095627 5248.879498 6803.649243 5326.826393 5329.025457 3222.773817 6770.039474 6652.383158 9123.233528 10349.74273 5025.148633 5716.155924 3363.547035 5265.130736 4812.197743 2189.702658 5623.468243 4681.507954 4374.815512 5157.751398 7792.006976 4748.399397 9902.480451 3455.574543 6504.757487 3770.746578 5065.431301 4738.217039 6372.996437 4957.503913 4920.934004 2621.606461 4683.862116 8848.870199 3898.648186 2024.70041 4877.58331 6054.705646 5742.90292 4624.473693 3564.709314 3512.308358 5791.86137 8704.261466 15659.21741 3252.86225 3702.09822 9059.319763 4123.71002 13060.05741 2943.725275 4746.17034 3425.241447 5205.363918 3094.373562 5802.391462 6784.888502 5939.775819 4831.900727 7029.168487 4880.984314 8143.869509 5707.080726 9224.013938 21308.94179 12570.54655 17242.71073 16041.6053 6117.774246 2295.487649 3777.753963 3184.663608 4688.372949 2633.317675 2897.417149 7804.447962 6475.854808 4382.332109 5616.68824 7236.991405 3328.546813 7084.675387 3255.362079 3103.06335 4629.525552 8213.769305 4150.028746 6081.313309 4851.372887 5769.61665 5875.03458 10657.08157 8321.436764 6963.235125 6610.305963 11716.11844 4945.749909 10355.24838 7661.162704 7116.696986 7335.862178 7507.095544 4124.933452 5829.889512 5764.7114 5741.815232 4305.95789 3429.48153 6298.188228 13630.40017 10518.33487 7538.342336 5923.423135 6050.695968 5323.011554 8104.609068 6343.097342 4050.928095 5183.911453 3362.560605 1H,1H,2H,2H-Perfluorooctane sulfonate 28877.23323 33830.58225 32082.03896 20248.20427 35645.98511 23944.88797 7393.697213 6758.937157 7946.745755 7632.795581 6844.388318 10772.13494 7559.214253 9212.955457 6357.023025 8418.060924 8904.773058 11647.69078 10091.50533 9997.180892 11917.61944 15098.7022 16236.73331 12463.76421 14337.15233 4782.328936 4192.20767 3731.557346 3998.279731 5274.831967 3454.129742 5446.046601 3691.001259 4005.864686 5504.250168 3238.040853 3890.26693 4777.6269 3002.821342 6358.212872 4898.604436 2994.440491 3947.441929 4237.662665 4678.04117 3458.366329 3802.818027 5117.487672 4375.460203 2954.810902 5725.644949 4207.805112 4801.217693 3494.343075 3887.975576 3753.36871 3803.847182 3929.530422 3067.098344 4269.431649 5479.507976 6008.495237 4143.254585 3253.76052 5687.575979 3510.896754 3668.03912 2761.308405 3531.118114 2459.52863 2793.112521 3511.509062 3246.310311 3814.24242 2619.916284 4144.571734 3827.233218 4555.652597 2848.976947 3775.135232 3787.166666 3155.814354 3025.429553 3609.548965 5002.46307 2917.399657 2968.070655 4573.9542 3007.859378 3549.887158 3901.237976 3240.128861 3153.545417 2428.356231 4340.011145 3134.851591 1795.885342 3447.863585 2730.849845 2501.036628 3551.704594 3870.169948 4373.284023 2455.039722 5439.771016 3453.367407 4565.37278 2274.736448 3702.157934 2169.52684 3904.696059 3480.432609 2388.97273 2138.565553 3307.644519 2427.669034 3980.608817 3418.877523 4526.864657 2186.687904 3765.995418 3110.990961 3263.278796 3195.484427 4390.776008 1759.975138 3848.416086 2495.830754 3564.917061 3212.710679 1588.948425 3211.295252 2576.428945 5102.214489 4162.944429 2298.970592 4522.881368 3579.790501 2452.254027 1778.78502 2208.290614 4176.381287 2626.222923 3556.468478 3371.268423 2405.858355 4013.442025 4311.314895 3387.976115 4570.966769 3259.987924 2543.418767 3990.117117 2818.259675 4546.195044 3781.214562 2376.811548 2528.196194 4827.384274 2530.80418 3272.29088 3659.488985 3113.036136 3742.431551 4019.747132 3639.655394 3410.990939 4178.765276 3388.873038 3003.055991 3363.085972 30026.85099 31777.70017 31711.63347 33658.78744 40357.80837 44040.81052 35675.88168 45157.37073 33579.00904 39983.10794 38558.23003 32372.23799 37195.51541 39815.39635 33900.35924 43743.13632 Perfluorooctanoic acid 67199.12986 53610.28663 39412.68056 53388.37086 50215.27207 37515.81639 136094.1397 136092.6754 161245.639 154076.202 154350.6 146071.609 158990.7744 153079.0322 159127.1165 158738.4046 163788.3878 168011.4656 164984.8739 173411.194 175400.2469 170672.2663 186328.4345 174544.8747 174143.1336 213959.9991 234941.4261 235174.1938 214300.1065 186910.9955 207983.5322 192261.8259 185996.7724 235529.552 247873.4306 278001.7426 289361.114 294363.2257 265278.766 218817.9293 209382.1572 198800.6987 187142.001 192500.4464 189894.2845 178331.5762 211090.716 237204.9904 303532.0638 140227.1477 105011.8576 80488.1606 106104.2923 48835.98754 71014.29146 117654.599 114133.087 128475.9092 161347.3192 172465.8235 185746.1182 174114.1883 152371.3619 125344.4015 134310.5925 119439.5221 129890.4718 130545.4263 132675.8945 116791.2687 163366.7832 203214.5896 173171.3255 165815.4714 140215.9082 134798.3602 160665.3584 132783.4187 143317.4983 148472.9294 145920.9333 143635.5045 179601.0978 160436.5473 232368.1752 229290.7247 184767.1107 188538.1101 181770.9384 171506.0546 180544.8435 216267.0617 187305.4148 197126.1837 198316.0756 265154.8406 170184.0967 230474.6009 241695.6531 198363.1678 217467.1492 225197.5132 224004.4703 267831.3052 235898.1732 268306.5282 241322.5735 263961.0799 259589.6018 254250.9368 238348.2537 221678.5799 239527.7592 200655.2019 189076.8306 181912.9494 192405.4414 223720.157 207858.3088 158784.8329 162770.8295 220732.1753 191579.0083 175151.6968 164563.191 155474.5563 148723.2914 150527.4235 150934.8496 164265.8162 152164.6397 140864.4939 127178.6358 114810.2179 130422.9705 139188.5282 158708.5158 155698.6612 159131.7955 150362.4159 147634.2712 164259.2862 222314.0474 167068.0775 134657.3096 100831.0067 193274.1351 110342.0193 119464.8423 126224.1094 117267.7996 138893.8643 142198.0395 134393.4651 151176.899 188935.3825 140942.5666 121507.806 134950.4801 138212.248 123245.7053 132592.17 133787.1809 117515.4818 106163.3142 147763.7795 168728.0024 165017.4356 147810.9196 122424.186 131651.6848 180743.8765 159370.5222 157411.8603 165831.9835 225125.0114 229234.5186 221465.3556 203508.6999 177982.5734 161468.8415 154257.1329 153849.127 155697.3817 190003.2913 191336.6902 161139.374 Glycochenodeoxycholic acid NA NA NA NA NA NA 1063166.064 1016491.852 1174273.536 1124267.664 1243405.881 1076516.429 1116716.629 1104094.121 1073880.052 1092752.584 1015659.241 1008348.078 1029736.753 1099049.717 1065427.703 1033647.023 1163379.81 1052126.548 1040226.55 166021.9981 86081.137 59966.58243 638103.7588 976074.8741 412486.0786 101731.156 NA 70656.06981 214986.417 145564.9113 71016.10155 92920.20154 57921.55169 135912.4297 2037106.081 638151.7614 1558537.657 2231749.843 2808026.505 988693.9488 886849.7405 384855.9004 125570.9622 775389.9972 2808460.776 1473388.273 1118074.306 400716.5363 397275.5134 138856.7117 69713.1318 41958.93507 1528320.597 895022.933 3379948.207 3399213.479 1639620.317 4507555.73 835677.1948 267582.8076 398805.2249 64622.71486 80127.295 39403.79613 526659.6237 934056.4243 1385258.501 1167172.24 489947.2849 1795512.731 997401.0072 605539.2886 392207.7481 386813.927 92947.31546 196932.4288 27658.14341 52989.3932 97405.16737 1900677.776 959532.2108 4405357.538 317837.7793 507342.3099 808829.8257 78050.72153 164958.0399 49850.53873 1104583.587 608991.2614 276523.7248 427842.7276 141990.086 152042.7828 1247615.144 1774315.167 555460.78 481179.5504 1006712.348 178932.7454 708849.1039 197255.3517 228332.8224 90442.41256 60002.84984 195702.0136 845327.8457 1440733.712 2201568.879 589300.61 4044798.537 952203.0653 22015.07054 NA 36951.29708 172956.9367 368069.3358 452459.7857 426534.8802 146369.6872 349023.1188 105311.7612 253803.2696 249794.3721 1490080.075 4299691.152 2142180.097 187305.8951 119426.888 51190.82387 1118955.244 706856.0756 348194.9504 178368.4427 205530.3917 1336464.128 427914.9551 114738.4512 419725.432 220932.4134 1101546.005 312664.059 152171.3066 320474.2154 92517.18285 248661.1937 712050.1064 416715.9501 357693.229 204237.1846 108704.5895 152933.9267 580222.6536 280505.7507 1795771.03 754950.3606 2494099.001 580457.425 2336604.562 2043554.715 364075.1315 1195313.086 1447990.231 338532.8745 559078.937 1705270.728 581938.8438 1556342.451 993955.1253 877730.3581 1588194.606 2584986.873 1624521.105 2395389.681 782481.4003 70669.54873 166320.2616 135958.91 400976.7215 1204124.005 749999.8157 Cholic acid 3630116.292 3728482.433 3824950.782 3088053.317 3991265.106 3474469.865 4381740.499 4337007.68 4887380.454 4946306.898 4933007.475 4780865.905 5027430.049 5053637.49 5075900.976 5071145.253 5050793.486 5150577.898 5065452.07 5364284.735 5340550.584 5219198.772 5532313.292 5511402.884 5176295.056 3977488.9 3530258.144 3777979.905 3596811.851 4018518.262 3881442.149 3966708.002 3767706.961 3714533.389 3984214.125 4016038.277 4150305.638 3985503.456 4128906.752 4107862.626 3936718.244 3991968.072 3684342.958 4009282.463 4064584.298 4023203.85 4108498.532 4068784.617 4138973.031 3683685.53 3826861.292 3190558.147 3959178.736 3588796.514 3741475.844 4017467.25 3632183.595 4016551.485 3362710.569 3707780.564 3371855.465 3309358.17 3402819.265 3634961.812 3504858.132 3897299.253 3500558.227 3431960.786 2373127.232 4024212.331 3579412.878 2480976.384 2440687.454 3799996.035 4246114.81 4157864.623 3587689.386 4106639.617 4164356.504 4057864.956 3735530.03 3913486.875 4257419.405 3612577.229 3907879.379 3595614.605 4057898.543 4167645.924 4085857.097 3915862.974 3591220.061 3217127.944 3774327.05 2759641.106 3511212.974 3475664.185 3738063.247 4575470.725 2116008.23 4366609.09 3267092.731 2667292.451 3298084.036 3046243.01 4097767.348 2747104.726 4248482.225 4053835.123 2354972.683 3189861.731 3179664.742 4287842.205 4068548.161 2955335.086 3571819.501 3083209.907 3913720.612 2633059.651 2966445.402 3321122.066 4726645.122 4318018.471 4131952.109 3238141.044 4104187.043 4394814.573 4146441.91 4124975.082 4112107.796 2957094.438 4408103.498 4708599.048 3559949.222 3484527.629 4667130.716 4267949.659 4188700.609 4244698.241 4289827.283 4338460.97 3539510.195 3554081.791 4336338.078 4422189.155 4200933.538 4380026.581 4407828.493 4052117.743 4082058.451 4322428.492 4473058.421 4490896.499 4400024.522 3899902.336 4323885.395 4325925.267 4545162.656 4370373.752 4491692.517 4246466.843 4151487.489 4518720.021 4287198.676 4181567.991 4527054.42 4414994.89 4441321.829 4338123.636 4604822.828 4227897.366 4341400.353 4271152.685 4423536.649 4083878.033 3787427.353 4493951.133 4527498.512 4579075.245 4561019.293 4398408.395 4399533.06 4598273.069 4481128.192 4386799.287 4370242.975 4674614.859 4244454.576 Hyodeoxycholic acid / Ursodeoxycholic acid NA NA NA NA 3816.500937 NA 32415.67139 32266.06453 38485.80968 29892.42909 40546.96511 27482.11703 30794.44887 27623.02124 32629.16708 31261.78473 23940.4939 31935.98318 31970.41889 36955.5243 38612.82124 32075.81858 35261.38124 36894.56121 30661.49803 6565.590566 4793.581645 6031.487924 29924.39786 40436.15442 21069.40412 7130.217372 6679.245256 6113.035192 11890.2988 11000.53997 8838.747959 12489.78082 4846.874873 9381.966977 95049.24068 33387.69323 67099.09477 13568.39457 15238.80123 8493.632708 68190.87531 31167.7777 13042.26327 7927.516297 32279.74225 26268.95834 23977.90731 9172.688666 12506.89192 17567.16133 9951.838126 7543.067645 9630.80453 7301.437127 13664.22382 20587.91366 7168.185398 18935.82917 7285.914512 5651.454835 6366.635171 7882.388215 6406.694289 4998.166646 3910.422771 5194.430466 6127.806709 10068.48178 5687.38555 15148.45432 43735.06255 24326.9983 17135.45851 13641.74116 5872.240883 10887.24465 8641.737952 11034.53808 16742.51985 58446.33217 35275.03351 131809.4031 5503.586046 5535.345858 9819.519709 16746.63547 34554.76864 14335.8314 31644.95036 19080.49726 15236.54422 30156.68451 22566.48877 12084.1484 18438.38326 29325.85583 9789.639809 26552.17767 38110.54882 14330.93738 14412.33135 7611.327892 8969.423746 35221.41007 18144.02647 53968.50016 17635.08039 37881.25009 45475.91748 6109.645251 10784.77835 6129.171059 26123.24273 18248.1094 39616.69591 13619.77515 27721.84936 43318.63198 56280.98386 25423.0415 57180.15631 15152.24413 35496.70203 34326.38736 114015.1527 294026.3292 178738.6245 11631.64935 5304.552533 4987.331354 72261.12872 48600.51209 26910.79833 31011.3711 43178.27468 10695.36364 40225.64317 10187.81883 39346.5909 6878.654048 42323.73446 7385.93512 25799.88826 52055.82879 13892.80219 7673.092199 17872.57508 9761.045919 3985.147089 5982.273072 4523.167473 24695.99508 77073.47327 46349.34561 6065.227499 6352.638235 8197.264872 74895.00756 274831.9759 224706.1144 5816.535766 12712.66592 21545.1019 4178.867925 6678.515508 9410.173343 8254.057039 14456.25183 7003.147345 21851.78482 47935.30491 68197.1199 9471.557767 12180.43294 5935.351657 5067.70871 22181.75336 17777.6457 14068.03518 46536.1011 31824.81029 Perfluoroheptanesulfonic acid NA NA NA NA NA NA 1989.302834 1539.101984 2179.053944 1727.396965 1439.945706 1845.646877 1901.266532 1199.544457 1894.493792 1667.207722 2540.931369 1236.255307 1817.18113 2118.076779 1302.123707 2053.553167 2055.879482 2714.162573 1425.220018 896.2535008 1484.38802 1641.100333 1298.242286 1363.529913 1996.095631 3629.123449 1523.624778 3673.277892 2247.305878 1668.244974 1360.833601 948.9298747 1286.216617 2441.59857 2086.967222 1063.757514 2141.743627 1368.836048 2108.382782 844.3141878 1008.408023 1400.323227 1580.993515 1394.66173 2293.448694 1332.676423 4133.589338 2425.292122 2539.855989 2047.336818 1802.457537 723.1089047 1755.273709 1640.406744 2541.162794 1129.350491 1738.541399 1869.525938 3387.287052 1556.380499 2133.259823 1881.102457 2456.130042 1372.812895 2075.313016 2238.568981 3870.914075 2096.988667 2239.272727 1635.445783 2136.582768 1408.486398 1484.104815 3076.869444 2170.745787 1724.844489 1592.461961 1607.468207 2737.074003 2275.750386 978.3754062 2938.556419 904.2133641 1894.61297 2468.28453 3123.334356 4706.295971 2424.024231 3297.037553 1783.489744 1812.803756 2791.159424 2354.634673 1674.727568 2692.163182 4364.337535 2274.987736 2348.528725 2814.76977 2045.371456 1757.805954 1043.126302 692.6817023 1076.809804 831.0338648 1260.670225 1680.635915 2370.39177 2522.157657 1276.032211 3798.911222 1997.601741 1096.351004 1189.351819 2919.160945 1097.150737 1396.714574 1809.773627 3038.806323 1138.194005 3334.551652 1458.449167 1270.277571 1823.724733 1409.636703 2774.723209 2435.87184 3783.990482 2511.104817 2209.226622 2515.487262 1620.358898 852.0674964 674.3974961 1572.736549 2237.718574 2768.072713 1107.801441 2464.414562 1844.141475 4935.475023 1448.013814 1648.661571 2465.498101 1620.257952 1776.618519 3962.385521 2569.466942 2050.674308 1245.251304 720.9720225 1767.483248 4830.901261 3342.962265 2346.82231 1291.558761 3554.321064 1514.664872 2814.312868 2538.258669 1662.912017 2373.839488 2278.211608 1873.106677 2156.371168 3514.973627 1436.023062 1999.898829 2513.012616 1295.198845 1581.259936 3180.381744 1730.247765 1109.665299 1134.30281 965.2782136 2205.381614 1317.165998 2141.602299 2376.696116 1721.887395 5alpha-androstan-3alpha, 17beta-diol 3-glucosiduronate NA NA NA NA NA NA 36748.33409 36113.13276 29502.59635 40363.01957 40920.49656 35741.72941 36232.59048 39814.58369 43680.36254 45125.8671 40175.34759 39140.02536 33345.16744 38151.38497 36518.89986 29225.21071 40729.91768 36275.40734 44645.15654 16634.42534 NA 4796.571754 21807.15626 NA 4590.515072 NA 18619.47223 45476.04192 NA 26062.78975 23868.35637 21037.61072 NA 103690.0766 NA 17021.78288 18277.90275 75782.19782 23349.83068 18078.78825 25519.22951 NA 22945.12 25206.80612 NA 38082.94417 16365.58646 NA 13096.91865 NA NA 7175.186783 42602.50405 26057.33095 NA 18050.5403 11196.83028 NA 21089.44831 21913.25436 29636.15878 72256.51244 NA 15185.05146 15595.36684 25414.54664 NA 30586.20937 14067.76721 NA 18690.69803 48338.07347 40341.62704 15630.67895 2413075.022 111519.4647 20196.09641 33836.04269 18043.73597 42628.04165 41829.25061 NA 22359.24917 7943.927623 8768.927239 608610.9843 11601.6115 15790.40435 12480.05314 32603.92181 17267.2031 16897.80614 45927.93435 46034.93255 33377.62922 NA 18578.18835 42030.79357 30939.97337 23159.81671 NA 32977.93395 120811.5445 49022.10677 24503.4528 19350.98585 20101.18734 NA 12130.69014 29479.00611 NA 60641.47824 26361.33796 NA NA NA 317529.6757 10905.30226 10449.52346 NA 13842.74215 NA 50680.4542 13139.0085 13825.40246 NA 16783.45747 NA 23756.15641 NA 16030.15749 NA 24814.40246 NA 52928.95339 NA 18986.79442 29044.70511 NA NA 17017.83972 22056.53123 27567.14515 15404.73073 28951.25993 NA NA 34146.69414 NA NA 12312.43936 13418.66461 7229.905866 NA 31286.95699 81401.92865 8866.317071 7735.466972 18343.46679 16712.47739 16060.62901 15985.66095 NA 39860.29879 NA NA 15451.43095 NA 53517.20686 16930.78698 NA 9714.119235 23027.57247 8486.201154 NA 21168.70987 NA 9307.540308 6662.572451 NA 11536.87749 Glycodeoxycholic Acid NA NA NA NA NA NA 434686.4696 415686.3181 498915.0884 463346.7748 509924.4721 463555.6599 478506.5466 444401.5184 510037.9358 482008.0534 434795.1276 436120.9307 426736.0496 474077.2582 458405.7885 434484.2486 491651.2787 438281.5362 434136.8632 38939.16569 24066.3415 14449.9184 382490.9123 582682.8523 248722.8335 26431.2504 6379.185828 21295.58556 146163.0107 106698.3175 57729.52838 99610.13302 68158.97369 151759.1292 213154.6744 67413.39682 160704.3409 650950.427 819669.211 273489.1245 357569.6588 170314.0436 53416.22387 374381.4603 1233225.359 669234.27 450308.3638 197911.818 162590.8448 NA NA NA 1200845.371 665573.9344 2500327.979 1405258.168 734728.6349 1849317.086 327802.2105 107460.6918 163004.2634 24792.37327 13346.04944 11863.86777 155891.3752 285686.5293 420204.2445 776986.5039 320135.3457 1246564.721 680639.5793 396198.5973 248060.4911 365691.6132 89929.48596 188008.367 28644.83647 52390.75984 95081.70653 NA NA NA 25395.66009 32768.38434 64099.32278 29021.82711 40124.31014 18582.5017 265604.393 148483.1683 62933.80805 81618.32302 32141.26813 28102.85392 552868.0091 691088.013 245834.8639 860035.5477 1705549.585 339177.4972 547619.0623 152384.5153 159926.0022 94860.25525 58844.10859 193519.783 571258.2138 928893.8997 1492353.903 174497.2936 1248303.776 275828.9037 51760.01338 33874.19444 71439.43208 216098.4719 479237.0267 584744.1353 391101.4405 127701.0353 338514.3168 30109.68555 75002.96384 349008.0444 84932.50909 251218.131 122432.6802 43736.43454 24232.33059 14140.17081 134417.9206 83451.06149 48411.31561 205719.8971 229936.4957 156820.9989 368347.964 89461.26977 306030.6643 143343.2925 569973.1497 189109.847 290750.4635 592885.3756 183940.9837 212924.4142 559589.4163 337382.9205 152997.123 112311.727 49776.83867 60683.99493 202173.6605 108122.092 517238.2995 221427.4335 725603.4875 49109.61131 133019.2638 157004.4474 192063.852 642403.0174 742361.5348 63469.15847 109369.6436 335152.3963 292780.1455 760076.8927 494880.3629 625759.992 1054617.341 1605049.247 288719.097 414773.8407 137449.2891 10444.06618 18432.24436 20851.41201 259219.9319 761670.8156 503500.7593 Lithocholyltaurine NA NA NA NA NA NA 21906.19867 26906.61543 26023.76127 30017.20867 34567.01436 21899.45468 29365.16747 25766.83474 30518.65172 24453.50177 33138.70795 23669.71386 26772.72659 29895.28218 29575.07189 21226.11543 28218.06109 23310.89226 25784.87798 12213.08976 10610.08434 10041.35168 12424.7982 9522.900839 7635.030808 14750.19348 4581.899148 15055.75629 38238.30343 33163.82223 16354.05578 15223.18418 14993.98074 12824.61052 171928.1643 53474.56842 138646.8419 27966.09453 38489.89107 12465.73995 13292.34019 13354.49876 8346.893029 7566.606796 14819.87334 10363.97162 25423.25649 13751.64462 14776.60914 21176.34079 15666.80994 10594.63436 11368.28823 10974.86262 19073.69377 6226.842382 16181.45288 11085.39229 99075.64265 36153.75159 53129.24057 14247.16274 15142.69051 8841.713809 17768.82189 30211.98545 38771.25934 10698.18053 6809.992992 13497.45632 22172.6922 18333.99414 10154.41758 20513.60115 9053.933436 6772.026025 8038.051891 18890.60296 19348.99942 44060.65171 20011.0965 78702.20462 8125.266195 7284.128849 10893.77989 36502.18718 62114.88194 26289.26775 108722.2955 63797.47459 34731.84117 21890.76511 6733.929848 10483.63108 13277.81005 15198.33978 8800.922151 20399.4648 15692.85836 12476.60662 28521.92524 8549.442031 9410.580833 13213.30013 11279.80099 20260.45985 10106.81291 12329.24499 19737.27376 13273.35865 36984.49417 18795.5589 10552.95452 11166.04552 11575.41514 13875.36801 16196.73602 26741.32758 16038.60951 11369.91826 19890.41478 104892.7577 245017.2601 10604.25005 11505.53775 8743.756682 12832.49653 26570.62542 14318.69231 12995.68483 17551.32161 10339.89574 9400.514071 8555.693209 15658.69387 28338.26482 18796.13631 16043.62516 22908.74274 35412.3239 95549.33758 36175.48242 13537.78066 17646.30429 10557.17964 35290.19857 91585.93926 56480.98115 29630.01295 22902.31369 11006.52546 14501.81278 43409.62876 33697.57449 12481.23586 6026.137134 10010.02061 25861.06597 38564.12577 47770.3315 16897.73344 21314.01519 33738.97081 9590.127506 11977.11874 15028.06361 27096.31035 56491.81236 46894.0566 7387.101967 13933.4312 12940.90381 25781.00624 28058.32782 14443.52654 13260.85605 18828.72744 23047.36966 10400.71777 15224.63573 13833.0399 Salsolinol 11585.53619 12915.47708 12858.41642 13149.98817 17112.39085 15380.69711 14898.18528 12848.02619 19153.06292 21447.55214 24697.56158 22170.36274 22114.04292 22820.48927 28211.15403 28867.51203 21560.45392 23136.7545 21888.27997 22617.59602 21257.55966 23365.29572 27191.31472 27034.55756 28680.91047 14065.85382 11974.14763 17022.38528 15740.45341 16711.16864 16585.43658 21336.22605 17977.19281 21341.77515 22830.68718 19399.40846 20622.7982 24467.70588 19387.31448 22620.11099 15248.32952 18625.22961 18718.81328 18441.93694 18566.45895 21691.91994 19511.27933 19575.43928 19185.39522 25068.26455 24448.13518 22778.98743 24184.54878 26482.14586 21849.04101 27497.30717 25350.08273 27396.45499 26340.15215 26142.99715 27615.35841 22896.89535 29037.93851 24145.94655 9722.807428 29046.64609 25390.09291 22478.51813 22246.62702 24780.41209 23682.31058 21961.95913 23298.05779 20337.85566 23522.79817 24030.01669 21847.81726 22448.2358 23931.56032 22582.05768 24266.31324 24623.06787 23322.18979 24078.62299 21360.31883 23895.99798 23086.95836 21127.49998 21571.29806 21709.00212 25797.28031 23666.10095 20034.2625 21386.55827 18380.69997 19378.05764 17430.38865 25789.47788 25124.31328 24115.34386 23179.50839 24714.03558 21970.08505 23639.13372 24570.25044 23680.62773 24278.59078 21621.53377 18046.09782 22525.98816 17884.7627 21088.2392 22730.99332 20048.22357 20528.79893 16711.616 25954.45808 21996.74918 17042.99215 22288.89425 22995.94181 20774.05729 22718.05315 21446.14705 19941.08941 22529.72225 20009.88371 21045.93554 21660.6615 17815.45458 21146.82513 21622.96959 17322.11716 22165.67434 21996.72256 24215.28191 22485.05327 20190.52662 21296.75285 19946.16849 18888.61815 19651.84962 23519.13842 20230.58915 23115.97333 22596.2099 22360.93904 19797.22686 24010.78056 20583.4542 23598.80421 21470.73704 23203.06743 22751.10396 21479.68906 21565.59609 20635.82646 20192.11917 25007.0249 22682.63586 23205.51203 20356.58609 17456.75816 24274.8237 23849.77029 24213.84748 20388.49229 23596.85525 20617.05205 20289.53889 20274.98312 22883.34652 23855.77009 22747.96124 20471.8015 26144.15046 23045.69649 25224.69442 23797.07958 20630.2273 22848.11137 21082.9415 20901.09242 20723.99793 22718.78669 27222.97895 24316.37708 Perfluorooctanesulfonic acid (PFOS) (branched) NA NA NA NA NA NA 9164.321544 6661.047789 9405.547721 8997.397412 9828.001515 7604.33898 9626.967722 9225.455863 7805.517657 8626.802822 9702.888768 7919.471338 10368.84664 9926.112276 10156.37798 8810.401078 12194.21311 11158.88541 11558.98188 9041.774854 5877.892381 4441.648391 5560.786133 9232.209223 4092.45819 38959.18678 12159.24399 35481.91426 10961.99688 7291.050799 3434.075139 7480.885965 5188.107595 10602.51199 10389.97281 4367.499371 9831.938891 6074.225879 7115.074139 2510.670836 7690.135469 14888.23999 4968.703897 3772.327292 6863.326352 5643.850014 27624.51685 13504.22533 10605.12528 12617.22241 8164.937371 5692.911491 10062.05461 7285.264298 19871.84435 5667.33521 4145.470389 6428.696742 15815.52195 4869.816093 10762.26764 8492.165849 11091.41798 5280.708013 8381.588523 20076.30479 24765.55661 10062.27962 4414.45369 15786.99312 11405.37582 6011.801975 4182.562796 23580.75002 7778.585347 10353.37072 4885.507511 9928.530416 11333.17088 10583.00691 4621.996431 17470.09307 4113.695947 7766.896717 11489.60397 21351.24979 32781.21535 15475.99754 18289.66334 13677.45199 6257.993431 13060.07706 14528.41385 6520.462269 26684.58807 42896.44052 14359.35719 13778.97436 22835.22533 7504.55606 12025.71645 4997.161062 7327.706083 6025.482686 5090.254414 10646.86668 5167.623678 9921.150418 13204.62476 5609.953378 31328.18608 10303.96564 7886.824886 6181.605203 12466.61457 3615.402051 6150.152337 9422.186772 28325.71745 9573.367977 21334.00291 2786.868556 5525.150099 9602.410067 4070.189938 10614.45279 8183.40328 35240.02602 20060.57306 7790.944902 17428.42521 10989.88712 5802.291441 4381.940625 7003.138394 13811.83535 21028.95899 5269.575764 17879.63983 7574.391828 36821.21346 7278.949369 15712.16919 25887.87676 7601.921476 7328.278628 20087.73085 12476.73417 18788.64772 11399.45033 6881.960298 9868.064225 26394.63362 16114.49108 10339.22233 4824.752203 14708.52255 4654.089959 13353.58226 11863.08367 6892.970644 21974.81262 23944.07259 8929.890848 12799.85896 30562.60294 4556.548783 11872.71038 9713.274274 5338.490152 8102.000686 11775.09777 7870.725892 10403.45552 3768.724481 5422.022973 9782.465238 8461.559859 6405.688792 13678.97777 7995.464039 2,4,6-Trichlorophenol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 9682.400601 NA NA NA NA 11044.83359 NA 7094.380598 NA 9087.79201 NA NA NA NA 7696.509365 19588.36542 NA NA 7441.196469 NA NA NA NA 14779.40034 NA NA NA NA 13828.17466 NA NA NA NA 6806.601321 NA NA NA NA NA NA NA NA NA 9886.133643 NA 8235.850625 NA NA NA 6352.840819 NA NA NA 8056.302534 5716.825569 12831.78069 NA NA NA NA NA 12412.79872 NA NA NA NA NA 13717.40666 NA NA NA NA 13993.54795 NA NA 8386.362235 NA NA NA NA 6157.229827 NA NA NA 5013.679195 9935.406246 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6656.839612 NA NA NA NA NA 7572.071183 NA NA 11585.96264 5469.321283 NA 9215.149767 NA 7969.753475 NA NA 7314.65297 NA 10046.38951 NA NA NA NA NA 3629.91931 NA NA NA NA NA NA NA NA NA NA NA NA NA 6816.876059 NA 5450.429288 NA NA 5849.695433 NA 9617.047453 NA 4898.36754 NA 16643.04499 NA NA NA NA 16607.36456 NA NA NA Perfluorononanoic acid 64177.42634 52588.27139 45847.85158 48238.97888 58566.00668 39462.20928 94498.43655 95482.49609 108259.5776 107214.3139 111620.2443 100003.069 108644.4205 103082.9719 118515.9527 116133.4138 112101.9143 108142.2843 114936.3816 122468.1506 120990.1012 120548.7497 133462.8991 121490.5905 118142.6724 99371.42266 107775.3083 103465.9391 98776.25429 85042.09516 87730.03032 85243.97303 81996.70839 109138.6102 105058.9287 115489.9674 131736.3111 133552.9966 115378.1384 101611.0843 93228.72071 87538.26959 82167.64334 95679.1657 88595.07522 84584.36557 97531.87413 111953.9019 131226.1422 69746.4395 57062.71383 50135.57604 62326.34942 33338.67637 41306.56965 60152.21861 59322.79072 62317.74465 73587.01553 82067.48948 91825.77216 80362.6981 74744.93178 64647.78344 67311.65562 61380.87207 64402.86051 59937.2059 69022.01821 62112.0841 80631.50418 98803.36372 85975.39858 77363.21419 65916.77117 64834.38107 75601.84641 68399.9975 71678.09713 69349.81478 62888.25959 74693.24749 86721.61903 74027.82858 106282.0149 103855.3147 92372.27252 86836.10291 91826.36277 83069.15744 87035.44168 103175.2638 100656.9791 100803.0463 92394.05877 123343.6508 86452.44094 109350.3835 125006.5612 102302.0293 112138.5674 119675.9038 115243.6343 139110.3965 117902.2528 132788.9189 129514.8157 135153.7742 280920.1038 280764.8934 288395.1999 252009.8968 272026.7962 226951.0919 223739.1815 227320.759 237434.8271 255019.7436 225555.3468 178706.6421 158130.3149 193227.062 170144.174 156190.5335 153353.9325 141849.3118 134552.0275 138816.0026 144565.4421 144875.2105 134988.2934 128689.7964 115944.7176 92217.77619 110827.7057 120347.782 135362.7785 137601.8586 131515.0985 123996.0972 120816.0738 140374.9972 189634.8367 145542.6146 120985.0297 88762.40824 136290.4929 99249.70592 98253.58012 106090.5824 95666.51352 114860.8104 113994.6448 105792.1183 125250.2936 143969.3757 109426.4176 92092.02466 107111.593 109455.5923 106682.4574 100552.942 104844.3738 96087.44871 91951.94054 126042.1357 136051.4738 129892.3547 108051.3723 95907.95514 102968.8694 140323.5691 125710.4998 120150.7097 128601.3089 165593.7239 165707.5495 164264.6612 158156.1556 132014.6582 113544.0569 124036.973 120912.5919 124522.9992 141039.9863 139529.7253 125714.3535 Perfluorooctanesulfonic acid 5334.928899 3589.556056 4234.985676 3799.540909 4872.961544 3804.591673 19430.78021 22031.25717 29258.90435 26674.45362 25803.02515 20576.72544 25440.86197 23050.60546 27556.56173 25058.73402 26163.63123 29013.86496 26686.45337 26180.61904 27632.85055 28054.11498 28274.75815 25094.79471 29259.43788 20853.56018 17837.38712 12041.78945 14000.89316 15043.5256 10551.66568 73020.13891 22556.68507 66140.99069 28005.7557 25136.57431 14614.12718 19615.96617 13677.34274 24414.61529 30889.92029 10899.47432 25779.87076 25390.66106 24721.82791 10688.58901 23017.12395 28970.35647 11224.16838 11781.45302 22556.71427 16122.00327 56323.95016 26071.81701 19069.75264 22939.88584 17671.57089 12937.18276 35264.05272 21313.99957 61596.55397 15562.90142 11339.24426 16406.66639 33889.52301 13642.47855 24572.26266 26678.2526 33151.54185 16548.52777 43013.6056 102229.5518 153600.7536 22606.77724 14124.05865 30182.96442 55984.29119 29678.49455 17249.3248 53260.92237 15983.48883 28309.15596 12644.86639 22802.69809 30492.22249 19423.03976 12326.55713 26785.28753 11980.1492 17938.14994 24931.62766 132954.2059 227495.6611 99563.43582 44751.77648 27089.88871 16134.79335 34213.70665 33750.29088 16863.52506 72066.66937 121063.5645 41117.48036 44984.15982 63929.66742 22293.74675 27152.48643 10511.21806 19219.25593 17603.05148 11741.43602 18165.24898 17923.09954 39656.05462 53680.84351 31107.66019 146763.9079 51398.71907 30599.53109 20536.81202 39520.71241 12974.64458 23038.17447 31136.77438 60945.68426 24155.71271 53419.56166 9215.175388 15239.50521 27476.02689 17209.95323 36383.80961 28053.20711 89944.72303 46182.47331 23030.98015 43316.64409 32126.60866 15686.62473 12849.91327 14742.1879 111942.6891 38836.66445 15119.07184 32870.97292 17611.80584 67869.0971 26349.60181 25171.78571 39367.50799 19734.01023 23907.2542 45694.24914 33829.07739 48095.81839 34289.78462 18081.05165 18447.30888 60743.08706 37010.05398 25045.73407 11941.52357 33416.77343 11612.7068 36230.89443 33003.05568 18203.91556 39046.6356 42978.56298 18458.88842 29235.56573 82744.17082 14530.15529 29154.32931 25942.35003 13660.17168 19775.49967 24058.00573 17303.48545 25903.47305 14016.95859 14733.73748 24338.2193 16883.99575 12624.62538 23163.11142 16628.73376 3-Methoxytyramine 628301.4697 642951.2671 703938.0432 438892.3171 496670.2424 573177.06 669605.2887 641529.011 741611.4158 699340.2191 787172.5387 688778.9023 699438.9285 641490.2571 658036.8421 693865.876 629996.4814 602336.1476 648412.8314 682585.4614 660244.8278 629370.3371 700164.5155 669186.2167 670889.2284 633338.5585 644775.6482 644920.9627 601150.5553 614915.7857 642344.9503 698048.3857 662914.097 673178.2623 727478.7024 736658.4998 694354.12 690265.652 683168.9259 709230.6425 699962.8782 654460.4687 677695.2761 686499.634 667266.5815 659168.5297 621484.6929 630688.7008 654644.3164 799455.2511 839745.6896 759326.1771 843420.8688 841704.6928 811587.2476 779863.0254 715267.3412 760924.8243 754485.1474 747006.2225 760232.9711 704508.2365 808917.4693 744240.931 775553.8689 645420.0352 650785.7245 642413.4304 642341.8605 645973.8032 701268.2566 630083.4204 690383.4685 611970.4365 667450.9625 612766.5892 679062.6667 612281.8863 657751.6288 680134.8047 673748.1087 718175.5854 671233.5042 686006.9314 725944.1136 693338.9016 664521.2847 667892.3133 694368.7746 636464.1457 643199.6441 669413.6284 659648.5287 712484.955 634082.7539 660554.9735 614932.869 643319.2638 648721.2666 655727.0301 622923.5612 662611.515 673899.1451 686758.2089 699293.6573 629295.8599 615818.3735 606660.1623 587716.8508 591766.2315 597136.6878 603958.966 644136.0656 620274.1823 609804.9768 556595.1512 666871.3556 609654.2194 601293.931 642289.3126 613464.3883 611364.0479 630212.879 635149.0757 626724.0676 679704.3878 606673.1527 614184.3147 605057.7337 627368.0423 646091.5683 633679.8751 575850.5867 701229.3386 677693.1741 684398.5408 662102.0579 685762.013 653951.2552 631742.4745 615801.3962 647820.6907 661703.4528 650922.1599 676068.9567 660488.3766 651459.3582 584109.5671 597165.494 625283.4217 671429.113 666752.1429 679326.8552 636136.4546 681422.8409 684357.8758 699854.0506 638057.2584 721340.9681 641357.9527 685430.2194 704495.2855 627824.7354 642081.4052 696133.1688 665306.245 658301.3073 679286.3226 638615.3805 677843.4663 638001.2581 646263.0983 684990.8546 670976.7796 652220.2335 661377.7708 669300.5992 690382.4739 708727.1642 660572.1127 638690.5383 698629.4869 625642.0141 625511.9345 658060.62 694347.8658 641308.815 12,13-DiHOME NA NA NA NA NA NA 20138.4747 23007.67044 14719.89563 19764.7274 22775.89327 20235.41269 21454.91759 16526.22755 17581.13869 20157.62881 23176.19262 21881.43596 18852.47101 22246.74783 22267.72338 20781.0178 22160.27894 16474.65878 17957.68391 30204.59197 17359.24262 13414.22705 NA 17309.63858 NA 21751.51399 NA NA 17596.95103 NA NA NA NA 14780.37924 19419.07115 NA NA 15758.32673 15281.57912 9875.296246 NA 32297.40444 NA NA 44390.66744 34300.31867 31672.44541 NA NA 24972.36858 NA NA NA 24278.22916 33145.89093 27070.34471 NA 28082.87299 23294.91782 10161.73446 16664.50441 NA 16290.30193 18708.19649 14931.05972 25398.81302 24201.34469 NA NA 23647.61651 12487.56588 17808.40632 NA 37076.29703 49076.45093 36506.77949 NA NA 21817.57464 15044.99433 NA 30316.44465 NA NA 18061.89158 17346.49407 20460.8421 NA 22465.33696 10054.16753 NA 14797.42233 NA NA 21024.07359 27409.34441 NA NA 32495.71992 NA 19227.22391 NA NA NA NA 31085.99326 NA 31367.15472 38358.44266 NA 34088.28387 NA NA NA 20519.20735 14745.07078 40674.62713 35007.13223 14091.12972 NA 22422.61977 NA 14571.67149 8163.230491 17351.2394 35310.43754 25716.53989 36196.17024 15043.14653 14618.69193 22668.75186 NA NA NA NA 23007.96475 39079.26767 NA 30517.92053 NA 49093.62458 9897.99517 13328.70061 20291.63603 NA NA 19485.44685 NA 22186.89099 12647.7523 16418.51066 NA 23460.12349 NA 22676.80726 NA 31233.90502 NA 22008.43856 26092.40657 NA 28277.67564 20246.45916 NA 20351.35292 37539.82065 30539.29723 65418.16124 50042.57749 NA NA 20449.17842 NA 20348.42671 NA NA 13915.21467 15766.35302 19333.62541 27272.85515 34900.23206 Perfluorodecanoic acid 17046.40504 14752.59247 15896.74775 15235.67416 15019.86512 13821.83974 23895.70468 19967.38203 28509.37399 26327.66818 27728.56226 24197.58113 26990.95899 28876.83478 31830.91448 29200.26881 19748.11883 31403.86915 31421.11134 35009.6915 30418.46382 30564.05705 27872.86658 32176.80181 30812.34782 20824.99445 23150.92405 23552.26983 31094.7428 18365.29649 27109.8449 25406.3472 18029.11305 26608.53316 27116.80913 31688.15502 29267.93595 29028.81347 25915.68241 27173.7187 21414.57573 23603.0433 21173.56961 24537.4026 20611.08004 24611.83887 26906.04265 26408.66649 28442.89911 27797.35048 19438.97556 19763.48308 22355.83399 17921.64041 20702.69995 19770.13202 24994.77628 21866.63357 22729.70809 26257.70238 26557.7434 25259.90597 16550.67696 17450.93057 18805.75575 20326.9746 15547.08997 24181.84771 22851.34843 13818.2366 23820.76085 30652.63507 25790.46623 24730.04903 21629.58169 19775.85538 21345.04641 12939.83107 22153.20909 23170.89153 21623.51641 24416.33076 24274.81574 19835.22977 27472.66707 25541.94213 24032.92293 24152.99435 24006.50459 26983.20952 24854.78885 27640.0684 25018.35314 25444.70209 25873.67321 31397.60641 18079.65953 28917.3075 23208.23981 19628.37576 21004.27426 27670.33042 29364.83265 34329.74346 21613.58031 26955.9161 20640.55631 27813.30564 46107.33217 40017.92901 42802.53229 44805.53825 48585.32895 42957.9329 38879.64503 37864.14006 39246.13204 43298.51426 42861.25288 36975.08649 33227.34514 37106.82535 35389.05787 30110.47999 32147.953 30403.65141 30310.54457 32690.63417 30890.39418 33177.74601 33394.30465 25002.91637 31245.97068 31809.54075 29321.40297 26354.49646 36460.36767 32661.26847 32730.96962 31778.22245 26173.02153 37362.26414 40656.46472 32585.1754 27330.26586 26590.44947 31689.30107 24237.77883 29703.89917 29658.29269 25138.51158 31241.21284 26487.61594 26149.14326 29167.66463 36708.85639 31180.05812 29538.94022 32900.52692 28857.25417 32184.95125 28653.21771 30046.04296 32147.15089 27933.21264 35597.62023 36238.23862 32613.3093 36519.78407 29581.41955 27454.02912 35569.47207 30383.01198 34445.63481 34376.62306 43526.15551 41658.32504 35958.31902 38991.43273 34347.95065 32413.1801 32120.21156 32451.32536 33911.68967 36715.09595 34583.32741 32800.66772 9,10-DiHOME NA NA NA NA NA NA 16237.45718 14800.63407 16669.75919 16655.06541 16250.05464 15258.67484 14238.15761 11404.70442 14111.10308 16017.28783 10642.9657 15672.12508 16519.73941 13725.0861 10825.25432 15330.99822 17164.40643 16007.50864 15702.30847 16476.57109 12108.07738 14093.93816 16578.85509 6676.52521 19780.91122 10009.78194 28585.86689 16760.98579 9358.425934 11486.25009 14441.02107 25512.86196 33570.18034 10188.48345 8112.035401 13706.12447 14208.91033 7300.119293 13116.94714 9439.474218 14410.6196 14452.91626 20455.89817 21764.03024 44636.72673 29170.82669 16993.77617 14163.39945 11911.98978 15753.93166 35749.91605 42680.6493 7999.193528 12149.90628 13758.12882 19376.60328 22202.10887 15914.02469 12485.88193 12311.98764 11257.27986 16456.91621 10079.16225 12746.29681 17658.09232 21684.45416 20210.9959 33656.19853 31105.63924 15803.27324 13282.37377 8566.945931 14882.33956 49229.95605 51958.9789 37082.11333 12327.65537 16886.93426 10696.75546 8525.027831 12319.56796 14830.70681 25140.17806 14393.00123 7521.694757 13699.11066 17280.32179 7815.633811 8014.087055 15545.83642 7892.317491 9826.113381 11733.903 13912.0853 12178.2015 12022.13567 8286.506389 17343.03435 11204.65096 19259.97131 10519.09032 10969.73179 7711.795028 14670.17431 14348.80826 17184.99285 14856.99342 19783.42796 17857.18898 18263.75716 16488.55475 13433.7399 23986.78245 19790.80209 14650.93458 14176.29555 22424.35085 20502.77625 10300.84073 11656.1958 13049.1554 11524.20766 10976.52056 7641.710148 7390.323784 11371.5142 13108.71608 18132.9177 10769.94119 16745.51239 11497.78378 25475.29197 15987.41206 18785.407 15873.04971 9511.673466 24087.10621 11419.31523 17332.03557 9297.422148 39779.87064 21773.28758 9266.014655 9064.64517 14505.67243 13821.82215 11616.34708 10916.90464 10404.55125 8579.240443 15549.7375 8741.161695 13762.54536 12532.95728 11938.40303 15147.05717 14020.81057 13371.13032 11191.73696 14194.14881 14544.87913 11588.60108 10589.18338 15871.68838 13791.73803 20879.37072 49594.38403 120578.7127 74976.22283 10032.14253 17436.20189 9402.503358 13768.00938 9813.140482 11488.08412 16638.92523 8547.048366 10278.61375 15873.12981 21940.74275 14302.82041 Chenodeoxycholic acid 25798.63935 27252.78333 22294.06683 16768.88231 26290.55649 23220.01445 95755.6854 92054.48139 99092.43264 95423.63805 106034.2808 96053.50757 98764.90409 99037.50842 91261.28693 93869.34223 90065.4852 91063.41384 88808.00817 97574.38214 92644.43365 99777.46444 103514.3866 95192.75404 91037.02441 29087.75353 24220.34765 29653.01863 90166.74995 135371.4392 71172.50431 33360.82884 26835.13713 27753.81152 31454.04529 25100.02956 28625.51899 25698.2244 29245.74953 32602.45694 145976.7946 61135.09519 114482.629 53237.93065 57772.37447 36296.43583 645978.6504 52582.01739 34626.76279 46505.95695 89724.90355 59243.49888 636874.4762 248202.5566 243950.5463 81211.42906 50153.62183 36149.24145 36360.73806 34515.60625 65479.76833 54579.46534 41122.9716 69285.06268 31673.71975 20524.93144 30605.01612 30710.91878 28604.65415 28713.83111 26348.17695 32179.94542 35036.68083 108865.2995 53139.02131 137744.5701 280513.787 156073.9353 110040.8791 58010.53282 32159.59425 44684.78418 34109.0953 42074.51699 53931.72034 239047.7642 128507.6334 490924.7312 41861.00531 43138.95753 56040.06049 74161.79548 117236.9546 57736.37307 104415.8796 59652.49221 44326.86249 89628.92981 56337.17211 50032.4379 48615.8752 63580.20027 35146.77283 34949.31547 51947.74784 29417.55989 39878.37624 31620.51319 26208.70063 64960.89915 47974.93397 113650.9162 51543.5449 72398.52339 95598.47908 40349.0369 135641.0494 53887.58521 19508.49071 35012.4553 31340.92336 314793.1533 69730.61174 74539.9451 204005.6905 86307.94116 163806.7183 53608.85334 105073.9649 72933.55367 89380.34718 195360.575 123547.4651 46424.78667 37692.29745 36440.33984 502918.3947 300958.3507 166380.4601 27052.66849 30235.64957 81595.13639 106505.7781 44568.61993 96255.36434 46351.13865 134811.0363 61165.47121 34165.02324 43448.40038 32024.80135 36645.4402 51389.52754 38703.01077 29937.9037 28445.3003 31821.79099 51384.37345 113803.8821 67217.70171 42239.13051 35293.88587 45669.34243 105821.7174 340969.1898 290270.684 42608.19408 68357.46351 83202.82919 32962.42384 40783.82682 83088.06677 38337.09792 45457.0397 34140.31382 91057.45967 136656.2806 212921.1482 52922.67348 62119.62041 29487.25451 39686.57021 45597.88404 41691.15802 89836.32553 194162.445 130355.192 Lovastatin Hydroxy Acid 12989.90481 15430.02015 13568.23123 6547.421505 15333.84087 9790.554608 18200.65265 24857.51507 19583.12736 29943.41703 17969.81007 24123.02958 22851.0327 22465.41795 23631.97646 22283.1549 20236.37315 16749.16117 25994.62499 24087.73664 20235.65302 25478.33251 25271.69069 19150.19285 27384.58631 17028.11876 20780.65777 15111.01553 15919.58787 15674.18121 12048.7849 16948.15901 16115.62084 13874.19503 13947.70869 15442.94288 20568.48814 13299.64958 18401.7698 13736.74875 18204.92427 14068.79816 22499.78696 25417.04829 16408.64066 17756.00477 21833.91904 16459.25852 17146.93834 11966.95831 13445.30472 14418.60832 19928.60147 16487.1671 18791.52907 16719.71818 15552.52843 14357.96796 14440.39908 19116.93814 14319.22772 26603.71229 14793.53024 18158.841 15520.29046 12690.35398 17812.03998 21515.98987 15052.36539 15140.85222 13130.1933 11441.1161 11354.01942 11465.92371 11665.84801 13188.72767 17348.73317 21454.46078 13582.94552 13825.79758 16998.33346 12549.94837 14703.85795 14336.26839 15446.42062 21664.39237 21311.5669 17877.39935 16348.2223 15482.84269 17237.14868 8217.4317 16302.01493 19369.74603 16859.76793 16192.3036 12768.38308 17498.44222 14987.74302 21695.24889 17700.14236 15322.43235 13912.1128 14003.58055 17754.05686 14467.9998 14067.40662 15680.40694 16562.53295 22073.00223 16745.22818 29899.79193 18409.7222 12864.8241 18644.73192 13128.54797 15603.68964 17221.18533 18290.28497 15471.98659 18267.18333 16113.8181 12935.63021 16581.7242 13909.4305 17278.49129 20912.41076 14084.9525 16164.42031 13689.04024 14342.65083 16537.84988 14615.59297 13910.85811 21156.74043 16166.6308 15562.29235 21277.23332 11625.97011 16246.15384 19710.02229 18916.30543 14771.65659 14051.51368 16850.9899 25411.05458 19021.21818 16667.8924 12612.83236 13870.00711 14517.24348 16632.95806 21094.4306 14691.51261 15760.02004 26885.47079 12628.17616 17140.56325 19184.64733 15140.63382 15859.87889 17641.0206 15161.41221 18180.70293 17739.19364 22248.64204 16459.57421 26713.20132 26202.19656 14854.39883 17344.71121 16142.50866 14009.21773 17309.15752 12284.52591 19891.02477 18352.28279 15335.73862 14074.62487 19137.73652 16509.87484 13246.88822 17616.71688 13379.89747 21211.22002 13239.79839 13564.25399 Glycolithocholic acid NA NA NA NA NA NA 10546.77979 11159.28308 6625.209023 7096.45505 8435.529918 10162.66735 9316.780129 11190.36583 10421.70324 9316.48269 13379.52492 9352.832205 9346.348891 11250.86202 9695.323075 11351.05659 10733.71445 10649.92264 8458.70018 2079.405157 2094.409206 770.1205597 10794.41479 NA 4130.582637 4658.829254 1454.131169 5185.462412 8806.178639 5335.798719 NA 3764.620701 2247.177554 5049.019808 6359.572827 1656.712215 5657.013768 4935.146416 2973.934591 2017.888404 21645.60263 9054.396658 2830.33681 3929.355722 NA 17712.259 27353.45379 6911.695537 4154.039813 4925.493616 2775.232991 1917.601371 6456.75281 4411.548353 51417.03456 NA 7422.398917 34781.61455 2194.225393 1463.462256 1919.044858 3252.274786 3606.9057 1063.03319 2045.512994 5535.017198 6276.046033 4574.276141 1392.067416 5707.672905 7180.527673 4093.956862 2921.497815 2160.905285 1113.167215 2188.599676 756.6485064 2006.403007 3956.120354 3820.389166 942.2871637 2678.115793 2015.089258 3409.041042 3717.54135 3360.683133 3511.289755 1704.475844 4616.452746 1144.155591 1547.049444 6037.611909 4649.218172 2762.329407 91319.27521 143263.3659 NA 11269.79689 18326.38759 2945.434407 5395.755503 1240.825653 1499.056603 4266.676692 3357.476666 7513.655637 49739.90221 92404.53242 154779.3318 1017.84882 NA 2011.696052 3215.878492 3177.514431 7243.282495 NA 75716.84527 108341.9009 NA 2204.167378 NA 1215.729479 3731.748614 6295.172393 1702.666894 3779.645829 2719.074434 4228.309947 3134.928455 1468.022668 13533.74347 6350.563851 1619.687913 1951.952826 2518.003838 3877.189233 8063.165225 2423.292315 5617.066647 645.1035659 NA 1535.866147 3456.275622 8230.118732 2468.186394 2973.692814 5046.471089 3369.800515 1576.100871 979.8356771 1261.815754 806.7087654 6313.461347 4076.039118 6963.801657 3744.717058 11860.70782 1820.07443 2776.935832 2838.278001 2347.959763 9066.09934 9639.298359 1495.105133 2148.222868 13152.41378 6271.178945 19452.59271 16237.67487 NA NA NA 5167.992093 5502.402604 2376.414315 2055.203396 5387.328582 3206.683478 4667.125687 52895.12426 30377.78074 Deoxycholic acid NA NA NA NA NA NA 199401.2505 189935.7212 233830.6813 210174.137 255873.5935 215886.3397 215618.2242 201483.0669 209999.4873 215855.6866 200999.1615 199061.8469 211137.1232 213411.5094 209137.5612 215209.3134 235040.2442 214209.987 204168.795 42692.58609 22749.24029 22112.23328 205276.3323 318134.5507 146095.6439 89367.16664 29427.90069 72589.02944 213106.7798 152346.0522 81511.28599 138179.5446 87928.67562 189324.6588 130847.4143 44032.71152 93990.51465 80070.4562 108125.9504 43931.76108 558846.6929 157647.4417 62093.96037 100365.2459 321718.7718 175396.7592 537091.1258 194118.4788 177397.3213 10568.41266 12143.77815 16822.98465 162922.3349 97121.97204 361126.1642 156715.7646 80203.60364 199775.8668 83224.59995 32705.15134 47441.59627 53394.82422 49326.36904 27459.36096 24124.01619 35676.46797 42483.45627 178827.3447 83153.44564 284697.4221 698631.8948 361754.1573 240048.8323 235178.2701 64436.65172 130705.4947 136331.9711 244700.3237 429345.9652 15743.90202 7206.604726 NA 21689.32236 21837.18694 30148.35817 62243.43717 117893.4284 46746.09011 111234.8892 68149.961 240662.6332 213617.0796 111869.5346 81578.82072 111850.0512 152909.4424 52714.25019 250583.1541 482647.3645 114646.6505 163988.6845 53713.26997 70812.74293 352472.3829 245070.2535 680901.9145 198483.4487 350635.8706 517926.4381 40625.56867 173096.2718 59325.10485 185627.3357 125542.909 374698.3252 315893.9538 652608.2117 906761.1959 814374.2412 272912.6644 638584.3771 49110.75765 98800.52789 443206.0258 27507.7457 69562.61037 40836.78921 60295.92503 44882.99529 26734.55145 212806.2768 112539.0624 66782.48909 72269.58105 83610.24548 56107.50636 440367.7812 124422.5407 448455.648 92112.17538 385827.7974 116247.2284 325486.2241 641857.0004 188274.2432 94663.14587 240676.1047 147944.4808 24588.317 20779.32737 16368.98291 56489.32325 170508.769 101709.958 61483.97152 27778.05774 82791.38451 35558.64677 103515.2884 93563.27599 84454.36743 241706.4196 309406.0764 20529.78356 32255.35652 78905.43472 45339.12714 102942.7477 74176.57597 214458.9474 360243.6664 594773.9271 84803.08673 122422.5784 38158.35507 22243.89482 38415.82497 32658.82431 315763.3557 977222.5158 586255.7726 MEHP (Mono-2-ethylhexyl phthalate) 14443.40111 13199.6932 12070.31675 7690.026531 8082.937474 5702.231813 13441.77427 17593.51768 20484.68581 15959.95758 17703.91021 14894.34128 14522.66418 12963.65862 13898.51009 15441.1669 11640.30522 11175.18965 11147.16984 12355.4901 13330.89948 13779.23782 10708.40581 11884.51868 12751.95462 11793.37199 14662.45467 15139.87091 16978.36592 11500.53288 17795.26658 15877.02767 14376.82442 14190.10748 11967.45475 15497.17134 15672.11226 21678.14474 20074.63848 12594.6164 12232.55377 18362.70853 14877.82329 13204.05646 13068.337 19733.71607 18247.07585 9326.582422 18510.20289 16882.63187 11408.2836 15793.32042 15686.9827 104723.1389 18503.50133 15220.53905 18617.35775 16903.69481 14496.74839 16297.45458 12456.73649 14207.5517 17933.905 11724.60562 10492.25457 69266.21244 12405.9002 14350.33039 8304.608276 19817.44546 20806.71352 10466.63899 9624.691865 14770.1964 75794.407 10627.4336 12901.9401 14218.02968 19413.22813 8787.937141 53942.14793 17040.95988 11829.0017 12522.43445 8729.687438 11248.23069 16678.27932 20834.93763 10672.55073 11729.71979 8646.059103 13253.92159 10582.32652 10577.96593 7607.962279 10559.85754 13699.04895 9186.391905 14050.67755 35102.97426 11171.52972 9785.847195 14348.4776 13782.83259 9709.609519 20937.4624 8268.424593 13349.11412 12598.2666 12207.11454 29470.734 9064.310142 10360.70218 13302.15943 9453.178947 13116.86925 10713.35805 12632.91461 14790.88918 15234.54257 10604.8392 11116.69251 19915.02805 9140.868794 8778.06686 10426.26565 11477.09586 22857.73721 14584.31329 8086.59527 17953.71893 9231.016005 8847.651584 9477.918369 10350.82372 19759.76138 9801.129383 9555.742346 12438.0551 11267.89168 9332.429432 7803.883528 11598.71837 9223.062627 7879.740114 15205.62331 7859.16551 5489.205702 9973.643311 9459.355608 41891.66466 10890.11931 8343.477329 10051.77469 6910.764912 8676.258076 7532.060479 14026.22483 6010.44443 12637.52842 8107.398633 13885.93227 7573.471342 44968.0941 7348.713531 12111.82416 7123.782635 10093.83129 8521.835831 25036.7352 11030.32854 8795.252481 12317.60868 10289.73426 6142.067923 10054.4687 10625.79147 9827.161749 10102.85494 9159.946109 68572.24733 15283.91952 9028.003087 7159.602443 20015.1928 10454.07903 12929.02743 Palmitoylcarnitine NA NA NA NA NA NA 20087.91037 18509.12153 20450.44277 25021.39244 23570.04681 24325.39531 23025.52504 23459.95915 27982.96983 25229.92511 25978.50403 22699.9413 23637.84998 25977.39149 22666.59112 26999.95909 28401.94179 26313.09084 24914.45221 10949.95795 44158.41454 33925.4882 31676.99052 7749.807367 28810.14752 14274.14798 23147.09323 47349.12538 6807.041173 32759.38176 23831.10185 78211.91298 56778.14678 13077.79177 7660.628244 21880.77528 27329.70656 81471.08312 9096.448909 54764.13843 33689.63582 9314.988165 43147.31417 27024.32766 6174.244647 41610.18655 6299.551939 34559.59999 25017.25397 10123.71321 47116.71282 33559.87953 45416.50497 34261.93439 8647.938515 33156.61372 24955.38743 8152.753677 3486.339999 23136.78368 35350.72041 49513.53541 9456.232015 40243.3239 13171.10664 19958.13303 8051.409072 17307.83262 10294.86777 4926.252152 8226.281223 26413.69087 21487.95478 7873.707513 33224.55161 37599.67792 30987.26826 50326.39892 10082.11325 85958.3489 56084.56795 10662.99953 40505.35448 55006.11191 8649.200338 63759.84156 10697.45046 63359.06463 6063.502641 44390.99631 25951.75368 6600.090264 38214.90046 26404.24987 58750.27444 6863.509001 45047.79011 41593.95799 6534.412384 27861.74062 5401.871396 20774.20058 33565.4999 42653.35044 33918.85149 5448.040142 24955.97791 33620.77827 4829.759511 44122.54988 7835.287177 55124.29524 97502.25077 72036.8255 7456.971437 22085.52332 31069.48348 1918.51756 9145.819104 25538.71387 20056.60344 47546.39449 58860.72165 6337.209767 18329.183 3907.683531 23491.93319 9402.100333 39472.94736 32551.72128 7664.675196 36646.78226 24069.4482 61556.01188 100657.9802 4915.355004 18002.76596 44089.30838 10260.33545 56483.7013 12269.4117 74773.05269 41063.70296 8907.535556 25402.2424 39852.07892 6883.884009 52100.27646 8578.972769 31894.96781 23614.47123 37324.10803 7576.550402 52261.90027 35958.17102 18694.42271 8850.403572 47230.53961 9918.930766 26425.59288 43469.02334 31554.99272 7231.271219 32984.03445 36304.83292 6916.567288 20554.73372 8299.476673 32165.46745 47567.50703 62570.04416 9254.335265 52308.83627 6692.846122 38664.3896 39930.87 9569.579376 24385.46481 11412.35386 4901.67657 14937.37364 LysoPC (14:0) NA NA NA NA NA NA 466906.9411 422011.472 531343.6573 474742.7208 547856.1049 504126.2369 504439.2785 496639.8598 538680.635 505164.8522 468126.4158 444496.7865 463237.4989 507386.5471 487319.4827 484679.6658 523654.8848 482153.7771 476141.8912 251900.5504 191090.3711 128601.9314 711530.4311 732784.0674 488960.7481 282151.2719 128759.3699 292735.0721 628984.3801 564545.9932 310166.9079 1125185.749 670432.7167 1014878.443 601374.8888 297440.9085 657250.3835 843113.7152 1035541.954 430090.9374 357032.274 543013.7454 258253.7399 301396.2262 674756.6999 573978.3155 1159975.418 596650.2807 548364.1685 1328327.278 1391116.742 801023.2741 705176.6827 407087.7124 1300996.151 701152.9753 380474.752 806475.9764 634680.8309 237283.285 343134.3937 263586.1965 304522.4315 152808.4174 243185.0987 548023.0003 574183.8533 839601.6492 353313.3925 993708.1477 556116.0375 337242.3686 235577.3907 1360742.232 424851.4783 746237.1593 240588.2047 477129.7557 700747.4702 1042075.195 562025.9836 1791439.244 179091.2696 273317.9152 362236.3969 663215.6854 1127998.648 549746.2947 1148098.235 744897.1153 399315.0324 1180598.49 704091.6828 402117.814 399966.386 596432.9687 201449.3766 609633.7886 727299.1193 289975.0978 891378.7805 360565.8564 610788.0681 291649.9355 200056.0762 350047.4441 283721.5978 548424.887 601311.9843 160704.3371 547080.8867 262646.316 1017753.984 521871.3575 942583.7536 130947.7199 258120.7799 354935.4041 389466.4303 184422.9137 373162.7044 432562.3559 895924.9419 128966.6095 302082.9559 589751.101 460655.3202 474274.2453 300063.576 161922.8712 707801.1729 587736.8011 324304.8371 371735.1849 519685.3697 390031.6109 1523747.022 499581.3381 1429715.333 308145.0189 1394683.043 429938.2918 297275.393 489516.4928 182023.1587 235875.9194 483983.3026 379598.5133 322538.8603 340565.6434 219934.6866 513720.5478 1449600.966 885664.8784 192993.7964 87446.68267 243806.8323 332942.4396 799612.8705 802373.8661 224337.6224 593214.5535 634757.6822 121617.5857 173710.0303 415615.5973 268902.422 554451.5345 453397.6138 220409.0627 385901.1372 485332.3315 482169.4439 592704.6953 243379.9045 314103.0272 575763.7503 538060.6866 390842.6022 798171.5555 682435.3708 MiNP (Mono-isononyl phthalate) 61384.91614 32619.90087 41437.43847 40207.43619 27973.1711 26501.69752 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8649.259809 NA NA NA NA 5523.870461 8218.603674 NA NA NA 6927.96751 NA NA 6169.18716 NA NA 8922.374271 NA 7660.608564 NA NA 14045.98151 NA NA NA NA 9874.120358 NA NA 6400.574289 5549.133934 NA NA NA 6990.731444 NA NA NA 8790.063482 NA NA 10559.38008 5112.901013 NA 7249.037912 NA NA NA NA NA 8309.680192 NA NA 20232.50504 NA NA 12136.66613 NA NA NA 10087.27252 NA NA 8092.554327 NA NA NA NA NA 4601.481205 7288.983938 NA 6432.288908 NA NA NA NA 11272.36461 NA NA 7305.390331 NA 8903.323116 NA NA NA 8706.295285 NA NA 6614.115661 8219.815748 NA NA NA NA 4607.60479 NA 7036.279083 NA 6767.012288 NA NA NA NA NA NA NA 6333.846033 NA NA 6669.324022 NA 23667.3301 NA 6763.880647 8548.903089 NA NA 7842.808747 NA 6515.460265 NA NA NA 6914.040511 NA NA 6236.755334 8273.490978 NA 7662.636479 NA NA NA 6492.689103 NA NA 6269.888961 NA 8221.213173 NA NA NA 6411.387591 NA NA NA NA NA NA NA 9124.165641 NA Perfluorododecanoic acid 8443.996458 7942.483323 7864.861102 5499.555071 6898.420821 7301.289128 8942.79309 8630.228517 7428.13317 8894.475791 8388.827039 9157.827767 8894.040828 9035.88258 8458.528879 9891.77662 9175.165422 8611.728841 8919.675197 7745.209043 7451.967133 8674.424155 10383.31112 8810.175451 9579.801581 8636.430115 9061.938861 8778.474564 9533.589926 8665.658314 10243.56007 10048.94547 8461.070157 8966.325987 9646.278268 10762.09749 7559.132582 10093.96768 9602.682332 9301.799125 6496.762244 8525.158923 8821.98327 8096.628339 9064.510677 9013.94342 8826.963665 9042.265276 9205.908902 9312.711738 10129.35132 9699.707135 9774.472552 9127.442191 9026.772074 9570.720744 11228.07784 9085.531755 9877.760141 7036.163146 8535.272255 10039.48616 8323.668999 8905.658055 9187.718244 8887.065157 9305.687599 9064.26483 8965.818944 9300.682097 8209.108017 9291.911288 11253.2913 8798.000554 9566.466549 7581.312414 9631.601087 8971.542258 9423.967592 7394.386164 8438.233928 7856.259867 8647.800156 8756.784906 8257.567933 9392.775354 7808.675669 8312.815961 8793.95993 8227.077312 8733.088585 8789.363472 7639.22789 9512.329045 7564.522348 8655.003218 8570.09646 8760.186981 9969.998987 7993.191814 9776.503768 10054.2855 9414.762645 9226.810052 8858.237962 9859.457598 5885.164103 8691.321862 9148.837679 9415.864873 8314.474972 9547.757799 9831.095278 8739.353713 9368.490852 9771.069341 8856.775028 9694.153456 11098.15527 8433.850855 10325.48887 9805.84015 9933.60534 8970.771877 8895.343897 10037.40053 11397.7489 7496.969984 9000.383489 9033.628881 8914.207333 8878.504931 10053.34511 9167.387353 8837.378234 9566.104149 9169.968065 10047.69048 9315.228912 8489.856252 9358.699133 9301.212843 10093.44888 8528.979937 8490.853155 8817.623866 9060.568969 7982.364582 10238.51992 8101.740794 8229.305202 8507.605326 6044.980326 10272.32864 8785.002774 10725.54953 8722.724366 9352.507901 10032.10494 9924.22396 10743.02737 8304.940516 8338.488007 8975.824639 9048.55301 10464.77467 9545.031793 12568.19353 9437.067921 8975.898697 7025.538929 9146.204521 8067.660231 9476.685262 8498.574111 8597.00726 9636.114645 8759.243866 9201.822474 8697.175277 9326.258342 8594.343339 8435.804317 8992.152564 9377.958159 9353.843375 9353.861131 Sphingosine-1-phosphate (d18:1) 18783.8196 6769.556079 8294.689069 17568.9141 9687.155139 6229.583608 615511.408 593856.0768 663482.755 621892.2681 697903.8897 665991.5196 665400.4057 645352.6002 664739.9265 621502.1839 639942.9203 606139.563 599817.9973 675661.6701 624822.6142 621749.0489 705841.9801 670241.3271 602624.094 477000.4344 715595.448 693629.9237 416857.8114 483745.9102 402382.8627 447404.6585 401682.4773 677798.4531 325445.1225 554859.0045 463890.8068 712653.1413 507396.3416 466681.6747 478463.9197 445285.1879 609755.8099 806931.2859 291978.8984 502439.7478 396463.1657 388379.5954 435086.4644 427466.2106 447298.8337 539232.8897 372905.1255 498516.4647 422923.3684 583973.6173 527995.4345 513615.8198 418842.3133 441645.9882 282399.564 616390.8421 599313.6116 410570.5518 296138.7222 567159.0494 472867.1655 450916.1521 184384.2125 517615.5302 191289.8343 321702.8923 292423.6681 464295.9743 347631.8146 571997.5194 387451.4721 398500.6221 397880.0446 490938.1807 466284.6876 556353.5926 508959.8894 758071.7878 502335.6943 733647.0557 512303.5193 621227.7096 730822.8344 828127.3587 348081.6579 924766.2741 371966.3914 842915.0294 354268.9208 550379.5351 372539.3817 390034.8204 444284.5705 497387.3667 1189376.575 283197.3856 700813.4335 383301.4638 293515.2349 219815.3988 363357.1255 286816.6527 299662.4442 527035.9592 480851.8408 322317.372 452537.6999 363087.0407 364425.9749 413349.9453 485697.1939 472865.9718 678938.7624 445688.6604 312446.0026 481891.0593 676088.7775 190795.6381 466236.4542 571921.4467 568223.159 319163.5561 320236.6835 294070.1025 391729.7801 262017.9105 443771.6343 298773.1348 396535.3069 388582.1699 424930.6774 539640.5135 399640.8386 532287.6622 649473.0893 342657.0239 785327.0446 584385.7066 405098.4224 563359.7598 542535.998 630818.3196 903547.2022 579666.2248 769937.4192 549323.6305 237940.231 634121.6306 423529.8276 573148.3594 463873.0186 596538.2912 583733.1797 574717.9741 792212.8707 543162.5209 400787.4526 355360.9661 396021.3315 427903.1304 433488.1144 485753.0027 259305.5255 646300.3689 665396.6789 489630.817 381599.6074 368450.8118 422642.5192 728107.2833 894311.2576 429262.849 440361.284 299813.3001 311572.1712 553422.6124 334053.1919 371617.0191 357627.7013 395418.1906 408911.4074 13(S)-HODE NA NA NA NA NA NA 203220.0669 196607.6422 219559.8499 192735.0953 213939.6834 221473.6517 196108.5963 198703.1719 218253.9577 186439.0988 182461.0979 200000.8412 176793.1915 188788.4994 194302.6403 202892.6442 210992.922 197919.2153 199616.2671 14572.96677 196484.6697 219311.5574 581893.8746 8753.314884 468255.7209 12537.86012 865452.7409 875794.5402 7857.649131 393530.453 502578.8481 1693347.787 898005.6754 11936.083 10008.9238 393931.0179 816600.3927 115804.347 9435.702819 83660.93444 600141.3402 14915.34601 227028.854 769033.785 30549.81711 604172.4501 19223.57344 272499.9761 317444.757 19721.29267 1593805.673 1279738.186 249035.918 351963.2942 16699.43124 205896.5327 197079.837 39282.23928 11259.7731 112922.0016 99701.13422 216975.7064 14678.43586 183232.3871 179916.2875 148939.6804 10452.2152 1129328.28 975176.6798 18323.21841 10130.81894 244167.129 364931.0037 34465.70309 280150.4974 250368.1795 212061.271 219344.8371 17610.73659 213651.2661 289518.5884 14508.9019 459132.8822 271000.6914 19562.13607 115563.8397 13696.33116 175792.1698 7734.131206 177075.83 164459.5107 11651.28484 452547.6203 632611.9544 81163.70758 10366.10127 123586.2443 1114781.269 21054.65286 399262.0996 13674.78109 292367.5899 208746.8183 507069.3881 359062.2915 42915.43319 472222.3355 365421.5162 15494.89699 510126.7695 24142.06311 467204.1447 1573666.592 658565.6362 11981.89382 69216.73033 111190.4861 40448.17473 7987.050445 263608.6711 172168.2938 210411.9791 166883.8838 3986.539762 44783.06099 21690.64495 37363.96658 17801.3654 201138.1332 208818.5795 12352.01723 664293.1088 473445.8357 920924.6754 946004.1202 6287.126651 242646.8924 296413.4737 9616.698206 124849.4414 70656.74003 137171.6228 152378.1684 8485.964499 196941.9481 202149.8817 7081.861401 220979.3232 6583.238802 73583.30813 101845.3075 204344.3727 13112.23079 401556.0134 227704.7174 294126.742 13759.29251 140829.4949 9066.812227 241904.4243 99772.43331 88031.00575 11078.31181 240968.6538 130649.6637 19979.05602 448098.3549 110832.0921 495422.7415 190924.4409 656003.9181 11086.97572 247325.4137 10621.11634 256656.3457 248396.4322 6902.164473 171810.7376 483937.4285 11143.82507 327700.4244 9S-HODE NA NA NA NA NA NA 313536.3553 296955.7303 379528.1965 319938.5662 359377.7805 335805.9554 309453.4935 324690.3859 325785.726 312733.0019 335518.9888 327013.9626 287362.6643 309069.3205 332707.2172 317274.9535 325339.4645 324426.1494 334425.777 22002.84293 268258.3465 262179.096 935971.4136 13365.15891 738721.3985 19480.22905 1033514.126 1029917.229 14432.11785 508286.0662 653801.2184 2540503.115 1337485.758 26473.10001 14990.28386 547062.3649 1107861.557 180116.6597 27165.7171 125491.0731 909685.8086 25623.19963 336649.6548 982563.4699 43243.64314 849071.0549 28521.86756 362804.856 479441.8169 22766.07221 2333364.644 1860736.294 337953.0606 438849.6416 22745.0957 264062.4514 269719.421 48124.52473 16386.97936 177249.788 144105.294 357641.2886 21568.55875 254012.705 262083.824 238640.5778 15819.937 1615121.581 1416096.185 31598.69769 19605.58053 316407.2865 469091.2372 42761.38273 422321.4251 340553.9896 290848.9483 304378.2019 24524.08397 286190.5132 405236.4147 24626.22739 602230.1758 344648.5959 35713.97637 170876.5035 20580.98737 260785.9664 17357.45526 236158.5911 233232.2396 12833.41294 531845.1468 741268.4384 114699.6811 17493.49119 164300.5322 1510436.841 24102.26443 575376.0971 19726.3599 405963.4687 291082.1792 641497.9427 480583.291 55181.71503 653225.3136 568576.0856 23888.83327 700818.5385 35837.10455 591262.8996 2444875.846 1023897.789 14006.05563 113071.7079 159433.9423 60863.80189 15957.60171 361168.1393 263398.4348 291889.5232 231008.7229 8562.375159 64455.23979 23438.3764 54277.59669 27187.07896 251181.2698 269902.2015 15749.78168 841810.8103 631777.775 1153821.828 1220736.174 11855.13556 352182.4722 408978.3541 27443.38469 195566.6615 115259.7309 184750.6191 207004.1338 11886.18669 324936.3101 269857.0174 16447.77934 281387.4082 9660.86978 113536.1013 133087.2759 282691.0271 16575.05436 588058.6246 287712.0814 344782.4764 20170.41623 208330.3505 12655.12123 359360.782 147390.9215 113759.7144 15861.39963 328388.8828 163404.5417 34511.64924 538728.3457 151954.107 591145.9272 281851.9684 872725.6819 17679.52637 306147.5051 21177.57255 327518.9355 314777.9655 11323.92767 233821.723 684207.0996 18991.19047 502178.4058 9S-HpODE/ 13S-HpODE NA NA NA NA NA NA 15022.12149 13174.46405 15603.6599 18774.37165 17083.91374 19002.01867 10516.39256 13892.74219 17991.17217 15390.81667 12663.41195 16695.89799 13011.09685 12782.69014 12570.69904 11894.96691 22210.33307 16226.23693 16753.12102 9036.997204 13014.39101 136319.475 370031.1854 3081.508467 419325.3244 13012.59709 546202.6268 348326.0751 14534.26589 82561.4338 326049.4496 595153.4286 619399.937 11926.36613 5418.042696 292766.755 268725.4335 22545.86527 5217.256598 43243.22996 284419.5855 5296.271708 10974.49468 492873.6242 17962.94183 144371.2041 11331.97367 15064.99735 49654.64223 8626.103718 906577.705 997157.1966 19786.35056 295200.0444 9773.394829 140034.7154 10910.32783 20442.87086 13767.78037 12156.09023 17451.0089 19864.73307 8122.500103 47398.99613 28451.95151 15503.65843 5961.941788 532332.5924 577924.9952 18969.28054 8623.519015 167263.4214 223295.0919 6061.641807 7746.826703 17963.89816 81777.95205 14751.41909 12254.96899 200369.3306 234465.431 7331.706463 295502.5002 116161.2991 10197.19674 10077.11789 10009.57294 160044.4291 10078.6822 96681.8136 84550.71311 10328.26871 256371.3497 371404.7611 14590.0138 6883.849847 8589.941531 422310.3693 30855.83381 12910.98982 9284.720962 252070.4884 18606.13215 57648.10166 340825.8421 50109.23346 344925.0241 286776.8921 16736.92618 472837.1671 8818.002884 300466.6165 554095.689 548604.3767 7339.939053 7565.264464 15012.16577 6701.708631 6213.68725 220979.5743 20322.86226 12397.19051 12427.86716 4401.526066 8078.827841 22604.80519 7944.295289 11108.93504 23455.02654 149461.1691 4892.286743 333863.5009 375487.1475 560229.2762 525972.3969 8026.641437 66622.85628 233829.9907 19180.82638 151211.6566 17428.42757 16556.77426 14102.29876 3892.803831 6885.567223 45486.64876 5592.469248 71775.55982 8109.39757 26266.90525 13816.13616 216898.689 12948.43294 228104.0378 33352.82307 58917.07289 9186.520896 14776.85143 7741.764312 30171.83004 26188.32256 25121.61408 5356.110615 5862.907589 10098.70974 4207.57345 270343.1708 15235.20095 19071.55267 56334.77291 261147.4785 4467.519271 82500.96889 13295.51398 29988.07533 161492.6827 8133.331754 7791.340736 394939.4442 5547.505086 270763.2736 Pentachlorophenol NA NA NA NA NA NA 8448.25574 9367.098799 11683.53215 11487.19055 12950.65697 10988.75212 11111.0817 11041.46291 9903.312431 12451.12207 11076.5553 12552.66766 10439.54671 9573.060382 12403.14215 11240.66935 14292.95007 12978.53274 13051.62819 6624.563693 9680.668095 5211.605558 11873.92752 11160.64303 6922.079892 15945.54811 6467.449241 17717.19848 6636.301017 9423.55802 5442.272241 12650.26644 6261.294535 10216.02194 6537.519653 4396.985869 10321.82845 14258.91611 10120.2668 6574.92606 13561.19115 12453.32025 6513.285549 15594.10746 43749.45176 33221.14084 10610.31094 8498.612689 11733.66546 12565.30717 10648.47675 7775.836266 19430.97094 10937.67949 32582.26009 13029.38217 5630.614934 11961.24809 17846.50484 7345.302197 11630.80442 14985.67951 14435.37367 8021.691429 8005.929018 18453.95659 24944.69706 11128.51646 6002.622003 10521.55676 12618.91872 8078.312632 7679.864379 9598.283595 5663.864057 10282.71257 4618.533612 10763.44461 11313.58642 10320.13172 6301.856544 11081.64664 6136.827587 5365.568402 6203.319149 14813.85575 15357.08608 7920.731476 30983.17783 20467.22419 7747.681029 15675.0702 11164.52012 6900.946005 9496.910872 9038.896763 6052.371971 12920.81442 6872.024031 6896.321839 12987.85092 7679.358233 9832.720934 11692.40423 5915.172782 8393.420417 8318.546776 18219.56717 11467.50833 5131.978274 10789.03543 6148.179599 16964.19347 13079.42872 17944.47463 8360.317692 15911.22017 17503.06762 6150.157938 4669.876011 7828.86957 5920.42541 11807.34802 6033.72052 5319.160257 8188.375137 9449.651178 15434.78097 13655.53595 5462.442664 8090.322681 9676.875414 6103.135492 6512.858847 9979.831193 70200.74778 15835.43823 6891.251173 8695.390621 4678.423791 20718.01501 9343.362757 7013.463818 6907.208268 3267.230532 4465.612396 6022.115264 10028.25222 13500.91785 13935.82616 5974.576092 7430.694844 16248.12062 16992.51073 14396.0615 7025.633613 15064.67733 6567.693393 8922.108486 9585.233004 3822.942128 14958.06658 9892.576882 37952.82579 57414.5574 168901.2529 8044.542566 14138.37339 14394.20602 4838.840581 332301.557 7053.272392 13244.89384 15408.90517 8589.353322 8223.143571 13102.86917 13456.31222 11236.62689 21017.36102 18255.35402 Sphinganine-1-phosphate (d18:0) NA NA NA NA NA NA 159809.322 158280.941 157920.8295 155764.0638 173831.4302 172784.9797 172883.52 167943.7659 160834.6521 157343.7104 164898.4411 160318.687 157743.0337 174525.7656 164276.1396 161044.3863 175114.4606 175262.9407 169737.0009 72481.81604 213766.4209 247972.3807 106379.7727 79451.59744 128459.717 66782.04899 144255.1794 177541.314 64517.90564 183377.029 187607.7191 208610.6882 159121.838 67356.46296 62847.75669 125643.2094 131701.7637 245254.5598 51136.64924 180631.0749 124858.6618 57957.95409 161439.272 110292.9129 44112.3205 114709.1575 52571.10163 124876.7913 120765.3907 68571.21102 126334.6638 154851.034 110255.2903 137709.5353 40910.33163 108010.2226 149779.9561 46025.1801 35599.46056 154514.7989 116147.9274 121862.7179 31760.41609 191369.423 54569.38252 73383.7436 40124.60212 101047.669 112902.8669 75076.86788 42039.58077 91166.13833 129785.6181 65595.54554 146224.4904 165085.8576 194492.2484 298805.7724 94620.99549 173152.3066 151608.9254 77367.48195 275750.9905 295127.0836 60079.50857 256468.9234 58740.90124 270516.2951 49868.84296 127940.7623 106333.8417 39211.96181 87658.3221 108103.7971 346681.3217 48475.70279 249856.6946 115021.0222 50084.68308 82576.73716 57737.42628 93838.89005 93090.47899 145591.8808 148130.5052 59064.53636 138138.6855 93082.25888 53442.10078 137831.3918 54798.80282 143238.1613 164868.6486 129353.3771 37266.3449 160081.8682 189501.2548 37462.12236 48738.61902 191501.5743 113346.426 117103.8961 88104.60178 49244.19745 131550.0502 46985.44067 127601.826 40684.51505 105668.6863 140911.7088 54365.7651 132607.1267 117566.9263 174717.7567 194021.9472 68479.2379 122731.5374 169642.503 55176.27929 182562.5541 73717.48869 198118.0111 251207.3192 90435.92863 243835.1771 175382.1943 44763.37929 190146.7917 54829.81628 139030.391 140925.5611 213077.5295 83237.0708 152070.7033 186204.2906 160025.6316 48759.76048 126633.2653 57170.96779 93205.2628 151203.2668 110643.9435 33494.1022 231705.5587 196669.7564 71447.43449 117025.9423 53350.67706 106553.2018 264541.832 309757.2162 75820.95184 107072.8611 37466.0013 91181.0439 184325.5189 49195.36608 87242.40977 100733.5481 55683.36658 86155.32582 PC (18:2/0:0) 9076.226485 6059.130058 3935.516386 10103.1332 4670.350247 4914.197857 9118809.772 8728968.143 10301004.45 9502240.846 10713306.12 9936757.469 9812316.01 9448326.306 9463791.994 9427980.18 9136923.1 9300525.83 9212170.292 9860743.679 9969787.507 9473612.217 10279033.92 9697654.025 9501165.305 10434081.18 6889113.225 4403965.506 9763942.404 12505604.28 6975459.413 12378641.62 3950864.608 10515417.73 9390673.732 7751429.613 3934170.333 10043610.47 6629574.545 13206019.6 11210769.13 4229264.648 8913813.351 11795085.14 14681588.37 5802436.357 9549987.499 11359300.99 4943440.852 8526508.954 20913373.52 15352095.08 16646093.6 7233131.274 7153072.279 15779983.76 11482996.87 6538621.669 7510806.575 4274574.105 13217617.59 19364272.01 11041844.87 21997746.45 18557563.79 7036596.193 10708840.39 8402778.652 10085816.05 4670512.748 5823714.775 12385850.26 16164675.9 15744696.94 7373462.238 20648540.34 25717373.01 15098152.98 11331295.07 20018832.89 6727429.961 12825658.07 3818090.411 7314661.623 11301691.95 11732008.66 5953900.367 19487666.56 6666103.093 10183698.17 15871910.29 7649939.964 12681204.14 6073276.325 17792911.74 11557272.15 5533331.185 23014983.94 16665962.17 10660760.2 11781261.57 16852324.91 5777497.714 10125084.42 15231507.62 4914741.059 10311603.93 4044828.961 6523781.305 7514973.126 5396673.166 10279567.49 7157788.013 13643734.53 16278446.27 6107680.653 22192774.66 9852759.986 8424202.715 5278765.657 11395295.46 5278015.276 10482265.65 15932331.76 15407266.45 6914709.978 12497867.4 3114280.418 6040936.232 3946292.434 5681456.53 12182770.13 8937820.582 14741207.51 8466602.648 4547600.445 11125604.25 7918584.341 4174081.984 7935746.141 11731034.25 11509906.4 21926371.29 8227981.119 21537669.93 4761139.641 17168228.78 6515537.714 6034343.569 10925867.03 3749810.658 3196965.641 6806517.734 5352102.127 6714708.416 4514674.528 2502931.653 5354540.762 14668119.51 9208252.552 11114399.04 5160367.399 14347632.11 3847679.939 12988385.06 11406044.07 6785570.67 16467086.35 18451571.51 5744975.011 8823272.109 19520151.75 6063987.741 13969166.51 10570594.4 4645235.715 8082359.77 11647096.51 13436068.28 18196678.98 7259527.617 6150614.101 11992107.31 10522484.45 5838631.68 13709511.38 9513271.072 Lithocholic acid NA NA NA NA NA NA 7177.902027 5753.380004 5900.092672 6906.039976 5304.270739 7462.117536 8481.134441 8623.219636 5819.114598 7695.684973 6629.083999 7998.204997 6552.300701 5514.537391 7494.943031 6494.683628 5346.35473 5693.184415 8634.326378 8511.951445 4783.665428 5187.903086 7460.625106 11365.20068 3703.01992 6326.459175 4458.97677 5113.5053 13766.94315 9677.603402 5411.505442 5937.894909 5136.298935 6539.779243 6773.394214 5124.262056 7924.372282 5452.698556 7894.732908 7437.97337 5848.168667 9259.494979 4581.750283 3452.50593 7082.384572 5768.056626 16024.96144 12023.58902 9718.457618 5815.611277 6035.128644 5334.356302 8188.898172 3209.979044 11130.72212 4979.469338 4269.48047 7295.003712 10002.82638 2748.356231 5555.652502 4425.68799 10078.66988 5733.245902 4856.492998 6083.307274 5773.89138 5417.090973 4386.87971 7611.657841 11485.24725 5312.813403 4615.049381 6810.923958 3607.015534 3932.985428 3487.150815 6716.422398 14285.63506 4252.559675 2559.208608 5364.010987 2568.095369 4722.723098 5889.657491 4894.699145 5208.433637 6663.769007 5369.375797 2963.514909 22178.27409 10325.87681 4911.76208 5436.340724 9024.263257 11024.46819 6047.144683 6976.844068 10015.4141 4686.43085 8124.876112 3429.747735 4955.543132 6146.629806 5625.554502 9906.319947 5975.128743 7442.974219 13324.68016 3942.581831 9203.67362 5637.86926 8269.601807 9133.42084 12138.59214 5767.594715 10295.77446 16511.50917 14039.41235 4482.224521 9184.02723 3356.155277 8394.698732 11027.70942 2800.329136 8200.929077 4195.131645 6698.059277 3931.930336 5230.428281 8677.699856 6886.547689 5353.851717 3681.86079 4296.68937 4722.228934 5426.469024 5906.90597 6637.628531 3850.814809 12809.68257 4591.330519 7239.665323 10195.40332 3797.377293 4539.124123 9656.182748 5792.946522 7918.102905 5202.988018 4583.54491 2484.749745 10070.83624 3949.624327 4807.019929 4022.416663 4867.379336 5253.352104 6527.862085 5960.077621 3370.724397 4458.634097 10245.88633 4566.738886 4447.517442 4429.290834 4536.071348 9507.657402 3292.113005 7751.427668 11200.17934 14072.62106 4548.709303 7740.119996 4554.846535 4361.220878 6613.416461 3909.811466 5061.02652 13150.83984 6147.049165 Mono-(2-ethylhexyl) terephthalate 74604.14275 80081.24693 83212.52503 161400.8228 186371.0411 193627.8349 87153.78602 78551.64865 111003.6014 106684.3921 138105.3976 137188.1577 157198.6781 167958.1535 166842.2317 182724.8754 194601.1685 202059.4992 203194.7008 214257.8917 233140.1532 221327.8344 257315.5277 240067.6202 234389.9859 78973.7645 80987.70024 81940.14417 85153.80065 80635.40334 88725.25316 97099.18957 87848.67956 87881.97162 94896.84073 103601.9208 97470.70934 96977.30897 101013.4754 104862.1184 122583.083 111100.2411 109825.1691 101929.0508 101167.6252 103069.9551 105308.7187 101831.3867 112733.0139 146822.3512 127050.8443 122431.5726 133028.7826 137612.1571 150920.0577 130780.9354 136166.043 136219.2417 144947.3528 144549.0761 145679.1863 135234.2356 145704.578 132647.1088 244065.4718 169072.8081 202842.7949 145027.7684 133661.0219 142474.8619 157766.9665 139138.018 150300.8779 129670.3973 149851.123 131046.7899 144425.922 140368.1039 159879.4279 155705.0747 151766.0021 158009.5408 161868.1931 164719.7926 162121.8928 161447.501 167425.2259 166748.8393 165778.4674 152568.903 153533.2488 165968.128 151505.9845 177059.3871 156122.9701 169491.7354 166952.4191 160454.819 156957.5407 185514.9836 183369.2488 209063.7836 186771.1727 180443.9088 196709.2759 179773.2228 166976.2472 174313.6052 157957.3591 176766.3785 185372.6712 183343.1928 186606.8321 220172.839 210460.1462 181429.4222 218834.2906 176040.4924 204197.7798 200966.8061 164584.3357 193446.1855 225336.8117 204846.1423 183100.5986 216361.5277 192906.8345 208009.6186 205729.7225 198624.6463 214411.1209 200376.8993 197312.7901 209260.5678 212099.2283 242551.3031 196266.6946 206950.7977 211298.8181 208192.1746 194841.3839 204799.9247 223386.1551 213215.1449 196632.474 230775.1355 191408.7598 199880.4826 204807.147 197423.2245 213838.6369 214570.2816 205243.8538 212075.9234 223754.4653 238377.2432 230322.179 218754.7833 228580.9398 210689.9024 227200.5889 233031.5331 205892.7827 231999.7731 282504.7406 288690.4547 218494.6862 231970.7503 228626.6857 229482.6204 215250.6491 235495.6838 241406.0073 218737.3293 194922.8438 235257.0284 244770.5297 230421.1529 235509.1218 206661.4636 226178.5749 228907.4414 211837.8999 211855.2605 237232.7601 228379.225 214941.1891 O-Octadecanoyl L-Carnitine NA NA NA NA NA NA 4146.000903 4131.016858 4887.776753 4284.551044 6284.472881 6374.382734 6250.943687 4473.766618 6441.311972 5112.043633 6508.321279 6586.830798 6349.138907 6810.293924 6200.957425 6610.095204 6915.284569 8535.150261 6448.915524 3113.917669 17169.04787 13428.9357 11567.85826 3188.05923 11120.10892 1768.884035 5577.436975 10071.5518 2067.708387 10289.65631 6487.523204 11761.2838 9721.031454 3121.623179 2930.771328 6113.749932 6933.439107 15365.59615 2495.467962 12445.71621 10629.04407 3049.308173 11308.81096 8239.846877 1743.392528 11474.90546 NA 11268.72834 9664.097509 NA 9154.442353 10172.54778 10061.51264 8836.440557 NA 4691.37502 4706.644143 1921.961214 NA 7122.388643 8710.853779 9824.08868 NA 9909.136066 4326.467911 4033.407877 NA 4148.308862 NA NA 2939.070053 7036.514068 9037.404782 NA 8842.275811 11468.01242 5351.184241 7652.346445 2636.582063 15092.07679 12383.75646 NA 8723.691691 9175.870073 1800.291801 18547.84388 2397.206159 13662.6368 2268.74662 10427.10727 7385.185549 2387.354418 12875.12285 11878.67211 12947.03264 NA 9001.841364 10539.90692 NA 7542.294876 NA 7769.018312 9801.5777 10686.5701 8077.971794 NA 7609.440197 9532.723582 NA 16370.67563 NA 17279.92021 14752.09958 11401.41045 NA 3045.236262 6103.374396 NA 2184.114346 7130.061881 4376.997823 13203.37402 11571.47034 1347.205192 3943.93536 NA 6223.014234 1698.589764 9827.164005 9699.20834 NA 5838.986511 6683.286442 14781.42866 21922.3346 NA NA 8746.56832 NA 15873.8681 2592.907327 18783.52746 11248.53198 1697.378855 6313.285052 6129.808185 2465.712462 9196.999949 NA 5216.388267 3288.237305 8349.472245 2159.297009 11422.3346 6409.313451 5065.322218 NA 7508.661828 2075.366659 6006.207293 14659.5527 9485.7957 3145.105066 9621.925417 12259.3313 2249.504163 5472.467204 2492.428904 6935.722727 9762.810806 10845.99787 NA 14695.42559 NA 14091.85281 8048.795245 1953.844496 4624.949545 4306.845793 NA 2988.636625 Perfluoro-n-tridecanoic acid NA NA NA NA NA NA 3125.964764 3332.967395 4259.843979 3340.19142 3692.685073 2524.986831 3459.733132 3309.115431 3385.142412 3164.599025 3914.859106 3334.954481 3541.156589 3333.017618 4310.280122 3847.860681 4651.081131 5050.877194 3518.207434 3357.574062 5153.376761 3711.581217 4916.489146 3537.99376 2390.263455 3182.921695 1952.696815 2628.083986 4369.731813 3505.911331 3271.342724 3144.553091 3411.200878 3297.212229 1815.601286 3353.666967 4110.221132 3705.117388 3066.252343 3924.058041 4324.261283 3252.317918 3284.756191 3834.752184 2356.195984 3764.353243 3155.760717 3111.077518 3692.296417 3580.613036 4976.389996 4052.988163 2741.523416 2346.642684 3353.303419 3037.497842 3970.76504 3079.04529 2742.777507 2223.188172 2588.122527 6065.640991 4917.439183 2913.95245 3792.808375 3498.412529 4337.055732 4131.13928 4069.115934 3229.932806 3309.822439 3731.622675 2585.572156 3466.592703 2530.644042 2299.797034 3234.387195 2821.821534 4092.642842 4102.063658 2170.742667 3010.950978 2801.410564 3645.845078 3386.709862 3664.158377 2952.96511 3439.343427 3016.524525 3622.887777 2570.481843 3578.087257 3259.969241 3363.330209 4715.631658 4301.420594 4267.722902 4098.150109 4080.110138 3386.033182 2255.081841 3225.255291 4139.802461 3566.601121 3518.137735 2973.681204 3859.123754 5140.752568 4466.726439 3773.98607 2754.447403 4579.948463 2922.076698 4192.301328 2990.732979 3760.983651 4170.87959 3978.431842 4108.696818 4954.101733 4261.228103 3922.537253 4057.607774 2725.032161 3795.950146 4554.979138 3552.944485 4394.976875 4835.507907 2554.335765 3413.405859 2396.526756 3594.321819 3585.981672 2763.578188 3852.914535 4141.979576 3435.885388 2946.620621 2358.261498 2172.377093 3277.007078 2923.589243 3290.370513 3724.571821 3624.369715 3172.579281 3590.052437 3145.940841 4179.845561 3769.154497 3810.033725 3672.31454 4471.618817 3376.35035 3894.242856 3300.333578 4122.91881 3020.684023 6525.434584 3848.265572 3915.387108 4031.573311 4129.083961 4785.244492 4677.482231 3133.271615 3934.788596 4037.999755 3693.44084 3690.716172 3599.347682 2579.255453 2452.189977 3300.383356 2667.249728 2562.190796 3469.563397 4177.697259 3574.242151 3184.068734 N-Palmitoyl Taurine NA NA NA NA NA NA 37887.55926 37646.81155 41411.16977 41197.69421 51597.09358 42619.03486 38091.06844 44947.5718 39768.79679 38324.21118 39207.69104 41291.11652 40399.46339 45206.58963 40136.66248 42080.61887 48304.30834 40621.52286 42374.55433 22988.37501 62423.12821 40332.21369 101923.947 16844.80297 34844.65658 31014.52218 43548.72234 84608.34359 17875.89816 92863.0959 36008.97539 231783.3519 93426.65112 38496.43633 22187.41472 64730.27474 237115.9074 58786.44924 16828.54642 42566.35807 182960.7073 27517.29174 34868.03218 37114.7429 12924.69665 70022.29425 21161.86063 66561.91663 181649.0247 33976.70586 171926.5183 66683.09241 71663.34373 38365.35024 34308.29063 78206.77436 42242.65454 24369.28395 12652.61805 26603.72879 38019.91357 72250.79758 26151.5509 46549.8179 27489.80343 83379.30414 15453.79393 118498.09 31829.82433 13327.14316 18586.2923 75669.29808 30983.25721 18018.03762 28680.58356 50511.81236 26819.53702 48284.7812 17264.97746 46430.58697 34983.30894 17113.59239 53990.91652 78304.3785 29614.7211 86516.58814 27229.76422 42671.78345 11933.23287 33843.39959 15890.46507 15497.83275 58437.36717 30887.83218 42843.26762 19899.94716 24377.1912 210077.0812 20177.55466 55672.42813 18565.69106 22945.8161 54099.52815 66239.3495 35076.32291 17366.19155 36710.59478 88944.24341 14227.42651 36599.84983 30513.49348 88088.22442 225754.1402 74653.40725 19799.98889 25592.01741 36314.01719 8164.436291 19564.4187 30903.35639 114549.9202 28504.51723 99160.66336 11567.35262 19038.48856 9502.651835 31885.72447 26401.78959 54931.49137 34296.12791 14705.24502 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2732842.914 328231.3103 890162.1423 870103.6424 1202506.57 643581.1821 1456024.024 1104300.823 871569.6621 4783042.503 1985737.961 2998397.596 4256392.016 537343.0905 1664787.595 2125939.093 1478842.754 1183529.275 1301232.741 1473969.174 3138984.529 742510.6221 2191118.588 1914602.978 332422.774 3075665.764 773412.9016 1690175.816 1212789.335 1529106.926 681840.7441 2348421.885 3139530.83 1333487.638 1068636.072 959792.7275 1038814.368 966590.8847 1727532.273 2125163.56 1493157.782 2929441.292 4298613.788 1480118.586 1330037.995 635123.3098 2619409.838 730029.3693 1038462.808 840797.9384 2773101.701 992899.6601 1314055.131 1351348.142 524337.6231 949841.3728 1373792.912 1205493.126 2633008.492 LysoPC (17:0) NA NA NA NA NA NA 429380.6931 392883.7823 479713.9295 419850.883 503943.133 455911.7523 465164.3458 464937.0517 506750.887 420985.1946 443023.6036 440703.4768 422426.0309 477409.9394 473876.4956 462056.1868 504628.858 474778.9077 461947.1244 537239.8939 363085.7711 230047.2373 799152.6001 914800.1963 596417.3928 681196.6805 336946.2012 718992.1832 371116.1185 352273.4404 190311.5104 809608.4456 492405.7343 832179.191 633805.1829 357345.9504 671703.6024 457845.9376 477123.3406 261725.7744 701259.7627 951508.9622 448665.1675 428285.0522 930320.4572 846142.4446 756649.7336 399531.8985 484207.4962 758285.093 782503.449 537996.5327 346321.2202 246168.3117 723559.5088 636434.1557 381477.2565 837131.5023 812581.1293 302949.0606 354122.8876 500131.2753 574567.9496 297410.2978 382784.6584 754674.0683 963798.5615 627528.9205 355261.996 759807.4491 587386.7559 367366.6106 274749.1467 788638.003 289459.3652 432537.6379 237948.6719 479525.8209 694340.3584 810495.3922 465923.6486 1294712.632 243347.6098 341400.8627 467493.5504 516305.6444 859605.9136 437576.6277 999916.781 620102.0867 347014.2926 1331146.195 766615.8947 517500.8582 484219.7162 675849.4472 245787.1187 434161.2366 550777.6506 238109.4894 665327.941 261857.0652 393622.9697 341560.8244 258377.8218 453130.9025 365608.9712 581518.97 601126.7373 366352.8191 1067988.792 462727.3003 1036287.956 537115.8933 1252922.019 156934.2155 314475.3594 438991.1118 835634.3996 402286.1456 745308.4731 214420.8091 366444.2219 338878.369 235738.7515 402134.7114 351074.6353 863457.7749 469874.5775 318805.727 700848.8317 558908.1682 321229.0693 296498.761 398879.7452 592865.6958 998907.8213 320003.6717 874040.937 224599.5027 854152.5095 329717.4623 333542.6242 466867.9926 195077.4984 232163.1322 402328.6092 320142.5006 437088.6245 321381.3958 207543.1661 402230.3263 1075717.79 588321.591 410210.356 209789.8816 463465.021 196064.8133 471085.671 397628.3083 254885.6908 566714.387 706440.6295 314015.1457 434850.7255 986469.2816 251859.0144 497347.4315 477259.6026 236657.3689 425145.3043 514963.2146 600533.1193 708910.9151 301394.2759 352531.7479 645738.9132 499816.0533 585320.2205 1046871.337 778127.9384 Didecanoyl-Glycerophosphocholine NA NA NA NA NA NA 95547.5188 135946.1543 150625.3897 127986.9589 154027.8034 107183.6866 134531.4159 143520.1174 162542.9012 150097.7179 148590.1608 108461.5227 106621.6534 155093.8217 124336.1359 174618.7814 128623.1976 152601.0396 171201.8484 144170.8494 102886.2523 105529.3147 157133.6075 216678.3839 110181.5891 126599.5506 40988.33659 135994.4373 156575.4864 139610.719 87418.84703 173887.5652 78181.97204 184760.172 172640.7189 78925.57062 162016.695 173921.0962 174472.1967 88573.62996 128684.7822 194017.7697 88559.83552 92996.04879 267754.5471 230138.1813 221853.9345 78424.44862 87702.24683 305923.6498 229306.2891 153362.9629 175944.3103 73976.23806 197488.7577 249350.9832 148059.1099 337195.1391 236231.1745 103742.9405 119269.0517 147903.203 179352.1438 93280.52456 69479.32329 143139.6112 175030.3299 280107.8333 130184.8369 411675.6392 273132.0054 147441.0398 80868.24306 294318.7059 165785.6929 226277.961 91216.51418 166282.5499 164714.8702 248309.4048 112723.4162 451483.1574 130459.7031 165612.1013 181389.5552 137707.4813 250665.713 112176.204 284620.3256 225273.9842 102541.5519 374130.5314 274177.1269 139893.3695 140396.1962 204826.8283 99823.20784 121769.0778 195691.6505 58913.18066 159890.8344 76759.82727 111047.8616 102221.0082 89635.61634 158895.7729 95991.48677 187131.3197 204635.9296 158941.1261 295278.2505 158964.4754 212523.5065 122404.1717 328107.5088 73546.33863 110205.8434 133134.4851 185009.7982 79552.66883 208706.2642 53778.73241 105704.4041 106600.8662 71198.92727 111097.6176 90797.84339 184595.2222 161312.5054 73441.34652 177489.5144 147463.3101 62784.96117 109917.2763 167610.2783 144788.5203 397276.876 104044.9708 315204.9288 67885.1631 279086.0038 89784.38808 131183.121 133357.3121 89060.46616 59676.99206 91661.64787 104204.0469 142155.1705 120813.368 130852.2033 94970.23851 248598.279 163908.9876 184235.6749 67906.90138 197983.8807 60231.19809 178128.657 172505.0275 100861.9894 179135.4715 225875.5815 61903.29273 150216.0876 280313.8273 66027.3738 167561.7264 168051.6633 55428.74298 93536.37144 142688.9527 160044.4607 205641.463 73346.20845 103442.9652 160482.1589 133239.7082 117713.0738 295556.5449 207242.8304 1-Oleoyl Lysophosphatidic Acid 30985.6443 22376.49888 26188.94895 NA NA NA 343385.7617 309580.8391 300961.229 295893.8836 309523.8832 277685.1152 293553.9977 261416.2436 275616.0279 281263.7122 258715.027 235884.996 281494.5872 275931.2387 278583.2052 275870.3499 293773.6506 265924.5308 260102.7422 120248.6719 291305.713 238633.1822 721712.0408 182417.8736 703870.9143 159443.4951 361638.5507 550584.1252 107331.2989 584632.3327 434846.8874 813594.714 463989.3988 134959.6869 91315.95808 303990.9546 556197.7523 324437.3013 87286.27664 199230.4402 521541.713 125306.8389 257389.3499 360117.3463 106616.7092 425861.0606 112671.8355 156337.6956 196788.0071 152109.2661 752297.9121 599329.307 325879.9263 257939.773 66577.09959 122422.4672 113555.636 56593.44487 39794.65783 143459.2119 146159.2836 201973.339 48900.25044 176864.6703 254186.7052 307801.5947 98611.46243 536145.3697 570608.7075 186950.0309 97221.50766 440198.988 424455.3997 97184.45009 329663.8636 395697.1403 186797.5867 283017.7357 85581.744 371234.9262 329169.8048 183335.8988 306180.0266 397985.8142 74107.94034 173271.744 61332.03706 161999.2603 75807.10916 349852.3959 198484.1744 130082.9276 417483.1128 410896.321 225509.5835 76068.54464 148733.7396 311659.0448 58409.5023 122669.8313 114437.3081 243349.3857 268085.6877 294989.5512 169852.0566 84800.34331 549740.0942 526179.7009 90494.9685 418853.8014 143542.7927 480972.5348 467534.8697 242088.635 153848.2366 113668.6128 153293.736 49603.09457 60790.73323 319144.9328 256572.1259 268703.6059 342088.8065 97162.4307 91237.12038 60512.25917 101209.7813 59809.98315 134478.371 121595.7143 67347.43303 589253.0843 336417.6143 435096.0307 584287.7291 72970.52176 201241.0592 298003.7814 101735.2045 180468.7258 88295.92567 169930.363 323015.9261 66018.83498 235489.412 292274.7813 56444.85626 343552.7437 117954.0384 175512.353 138778.3407 211563.0113 71408.26666 315598.8303 304420.5253 186236.0054 75699.39418 131538.9471 54241.53988 128217.1526 125258.3473 119758.9985 54764.61749 284936.824 344984.1577 107854.2936 219340.6449 76998.74659 288725.5614 125409.7474 200434.3999 65467.6768 268546.6971 52075.42543 193138.255 152302.8755 54429.0343 110719.5517 314596.0663 98265.55973 343622.6239 PAF C-16 4902.047669 4452.979328 4879.25177 9824.420743 4870.404962 6122.120421 1383576.568 1337688.397 1442987.584 1418647.959 1641983.645 1644409.555 1624383.89 1698354.354 1638104.433 1509791.389 1604907.704 1590993.9 1699405.69 1769613.207 1758617.628 1675813.729 1817277.792 1747480.669 1616465.43 1818958.452 1038048.477 713946.9748 1755246.653 2487386.394 1384159.287 1894625.065 701225.1913 1631795.387 1557149.32 1193017.932 646187.5859 2527887.823 1540353.336 2888765.957 2406695.63 1056023.143 2303806.218 1163238.579 1540396.554 521631.6613 1672321.926 2790013.032 1158408.486 1185698.417 2986862.472 2181380.265 2788205.327 1115139.229 1334754.561 3770177.104 3035723.462 2203919.337 716943.5679 542831.8255 1791690.041 2158264.221 1182480.383 2942727.759 2209625.002 638417.2646 849502.46 1428286.644 1898952.778 1002823.811 756206.7362 1702865.108 2389076.02 2560223.664 1457550.235 3219439.027 2754247.329 1344714.527 1022568.735 3641253.588 1236187.691 1751177.614 794205.8576 1476627.744 2507431.175 2397361.742 1735986.328 5395054.568 797361.9457 1033007.565 1710888.13 1851592.318 3328715.15 1404498.766 3356704.443 1807030.299 1080468.169 4544186.059 2281804.682 1712525.602 1561228.516 2530628.793 871762.8207 1584550.975 2332459.012 807512.7994 1682135.436 579460.0177 708961.9588 998410.0692 735076.6184 1386126.514 1046264.958 1672963.74 2019219.935 1146598.779 3643956.334 1509604.667 1960549.404 981644.4246 2437435.138 514173.795 942555.093 1346497.976 2739290.78 1270868.551 2341059.937 669660.4843 1169420.687 902876.544 630566.2437 1192680.355 965332.8837 2360969.55 1220121.367 846869.791 2712921.668 2110133.581 1184590.536 675905.5011 898220.6631 1689284.006 4127084.838 1316176.23 3567792.313 482829.9011 3637517.556 762283.7023 1084660.634 2006610.142 731297.4005 809599.4496 1539667.565 1237531.33 1682482.097 1007865.549 583565.6038 1239374.025 3363238.699 1842218.704 1364281.386 698227.6643 1835325.906 735167.6651 2143625.426 1788994.785 835035.8475 2060865.114 2750498.096 843051.7269 1113329.297 2737825.854 601994.5444 1395035.293 1001464.055 548066.4777 1122385.709 1649661.723 1573151.562 2071114.44 767549.0925 1188189.334 2413164.98 1937392.569 1323353.66 2741562.719 2097227.526 LysoPC(18:0) 28061.42053 13571.42358 9477.530516 34198.15694 17986.49049 14686.1072 10416216.24 10174966.7 11376328.86 10319310.61 11781093.01 11569155.21 11816233.47 11519460.88 11229171.77 10640888.53 10927734.11 10890802.52 10970423.31 12070659.91 11505343.38 11918993.05 12735285.58 12146547.5 11721289.24 12518289.39 9393661.562 6437902.651 14582061.03 16464423.42 11928712.65 13280953.64 6698724.301 13558516.1 11290678.36 10456583.73 6151338.47 19202709.66 12652152.69 18229989.33 15986013 9707143.14 17975341.73 9948133.399 10775135.47 5367231.369 13827444.49 17374177.17 9908422.36 10756620.52 19214159.43 18802774.87 17684236.64 10020471.95 12132394.01 22029972.08 23362481.96 16794752.98 7353635.649 5066198.243 12182359.24 15830748.14 9937573.434 18864076.66 14097312.06 5543469.547 7379164.842 11558747.12 13140080.47 7746816.817 7043114.148 14437602.74 16438811.63 19039669.59 11016246.03 20361786.05 16968712.57 11552058.36 8382410.813 21987325.21 9566484.755 14308429.26 6627136.164 11718477.23 15784389.62 20022775.09 13006580.08 28173144.45 6477792.171 8862303.536 12331465.48 14800055.78 20124309.16 12148334.18 19816934.4 13865446.25 9014125.151 24473463.96 18187163.84 11706014.11 12148777.66 15778082.49 7085367.101 12894684.65 15075143.41 7459981.604 10912335.5 5035806.508 7689336.04 8563106.048 6190959.275 9428217.278 8510315.211 13137607.6 13421250.66 10066853.64 20485860.98 13069925.96 16058792.37 8774611.027 15854855.4 4354164.877 7479915.023 9784618.41 17539163.3 9721159.23 16788270.89 6007231.964 9647034.381 7337316.263 5639545.264 8269887.288 8408141.415 15835252.94 9349046.643 6473756.291 17295174.46 14814583.61 9581293.278 6043595.26 8198578.463 11281004.56 25330174.54 9589081.181 21447198.52 4512371.641 21483232.47 6432585.056 8945624.107 12517600.27 5877214.499 5778033.11 10346348.35 9252557.022 10971025.19 7817519.795 4895413.77 8900320.039 19846783.37 13769565.68 10640852.82 5481766.952 12025129.4 6129478.46 13855493.95 13203266.79 7070230.276 14902025.07 16902529.29 7255973.425 9623361.919 17036888.87 5198830.887 9471265.562 9004557.346 5149787.462 9393321.48 11016889.55 11979948.68 13379161.9 6458168.751 9331859.805 15766351.16 13513844.56 10331169.15 17500359.85 15830637.77 1-Arachidonoylglycerol NA NA NA NA NA NA 8544.420367 11776.86428 12361.92388 10944.13226 12227.79787 11058.51438 13830.92062 14167.81407 9923.925156 11648.14003 10546.20928 9723.7942 9959.404413 9136.982681 11321.3169 12521.42543 9335.453295 11365.81203 10058.31304 9905.521547 9405.731806 7295.190406 9691.482876 4920.021794 9557.102141 9936.486486 5789.339597 17412.49182 7746.640953 17850.9726 8778.991315 11358.73767 11238.61093 6037.342245 7535.999901 9547.747672 12257.82935 9795.757967 11364.61228 10524.44437 17904.76822 8669.733562 10795.74406 5841.661707 7306.713119 9408.562184 14571.50235 6159.263018 13170.83135 7300.04188 14372.27473 11168.88464 10236.98464 9550.95652 8329.105693 12265.08523 5110.133761 7906.652811 14446.63579 10068.8843 15590.32247 20409.50202 18798.97603 13716.67388 5826.261153 11187.53682 4967.177547 11306.90648 6515.858719 12179.29387 7941.603189 14419.5539 13105.01476 7754.50994 6356.202827 11425.8054 6850.918908 9994.90923 10818.98059 11635.49937 8847.935508 7153.188467 9689.046599 10450.4817 7940.982542 9172.224225 11453.35672 7146.089044 4340.931279 5595.495261 7267.903176 9549.741061 23560.75845 11371.82872 8891.409777 9731.173316 4879.181054 12069.65203 13926.92069 5626.643284 10739.3648 8675.765997 9026.387135 14842.60016 8304.859696 22307.33313 10339.09215 14296.62371 14310.56024 14208.91389 9017.998376 18205.54537 11409.92849 11155.49117 5404.46024 2782.611046 7791.124114 6881.940924 7904.048198 6724.101159 12015.93338 8507.474319 9249.74665 6421.515851 7594.57631 9548.025463 7015.39029 16607.42549 11256.18728 10006.65451 3797.486069 9700.77383 15346.48761 13293.25726 21318.172 19447.51016 9860.163131 8692.106569 20210.97249 7776.799471 19431.76718 10913.57275 10895.03052 4265.77357 6879.347713 6770.725521 13097.10155 10810.31783 10210.22699 9435.347795 7572.347198 5531.599996 10513.11638 10709.3976 6041.846964 5312.434647 5219.801939 4779.345795 9629.596282 10064.34711 9103.090686 15393.34265 7317.034872 7246.561475 14168.77723 13574.88392 6247.407828 4345.34538 7825.881625 8424.525836 18036.79167 4274.139016 12613.71865 16779.1264 4464.119535 11133.24011 7444.095587 7033.706969 6725.027907 4326.659316 10810.42357 Palmitoyl-EA NA NA NA NA NA NA 9633.903512 9264.131883 11263.90517 9528.857938 9561.166771 7730.878871 7928.62488 11531.41977 10232.52835 10693.57979 9127.09465 11486.97013 11335.77918 10229.94935 11360.19127 12419.25187 11461.61582 7777.251121 12049.26503 10224.74937 13143.60149 7780.555237 16143.08029 7020.975551 9241.957008 9228.411612 7693.293211 18910.43677 7295.55262 18294.79875 10101.86646 19683.5401 13087.39616 9573.120149 8025.779534 11377.54033 16998.40158 13431.05423 8155.802519 6508.168118 21139.88952 8923.883501 9059.844918 11687.9905 8961.552932 15790.83403 8835.427177 11279.10167 14719.58721 12616.92327 30308.16372 11204.50597 12203.83327 7886.063485 9019.951507 14904.11262 8061.479335 11438.15961 8313.396401 7460.33589 10042.08835 12447.07826 6081.501232 8149.943345 9330.024059 23771.48514 11081.7715 17320.92851 9560.761226 9074.649711 8086.420628 15527.03335 10749.39823 10315.53639 33161.67874 17233.9954 6886.086337 16226.5577 11106.95018 8559.00748 8346.213796 9765.902485 9641.425241 11199.86793 10657.19597 19497.06805 8604.039977 11651.32192 11989.38434 13807.91484 8815.018399 6592.637019 18876.11214 8739.371142 11798.64721 9036.80521 9643.734823 19287.72804 8291.562872 11731.36522 10057.72713 10263.49527 13909.58771 11127.37712 6237.14295 8441.993813 9138.348641 21865.5599 6425.525435 10582.59921 11518.57472 19585.53176 16934.22279 16375.23436 8963.881795 5943.120147 15305.21252 5933.446594 8047.874266 6385.643937 16447.68213 8185.669661 11958.35211 5221.616598 4410.311491 4913.388474 12500.08524 14074.71918 15461.05403 7653.776558 7883.391254 25929.97664 9741.913088 12362.03406 17992.46995 7213.695675 26235.75323 12202.15129 12171.93644 4305.3537 20083.80462 11326.03572 14377.50957 8970.009226 9354.318266 8763.659531 4183.859201 12815.70097 7519.325427 11078.74272 7840.314488 7892.844321 10498.80618 14807.62879 11955.94081 7983.501216 7276.347101 9627.622935 8951.557654 17665.95496 6752.888433 15656.11973 11165.59276 7329.405339 8809.720721 6687.003576 11731.03336 9553.298379 17951.51096 10764.96383 22534.33253 8351.038011 14220.86125 7078.28129 9662.792329 9992.620718 11272.29714 9496.024187 7821.220536 9605.503311 12530.34941 1-Linoleoylglycerol_2 NA NA NA NA NA NA 27649.57552 24367.90655 34744.21855 29529.92094 39830.238 25519.38606 27201.21517 27369.99021 28506.72575 26922.36776 26466.36598 27653.38233 27139.10391 29701.39689 28173.88958 24265.17296 24123.60387 25982.82899 25709.00946 NA NA NA 62113.199 NA 28116.17369 NA 22745.20127 57043.81754 NA 77606.5551 37922.90282 109301.7081 41584.39987 13678.07269 NA 36943.76326 187458.1888 22523.10916 NA NA 129046.2232 18002.82734 NA 41017.23393 NA 77238.23217 NA 72388.80313 201620.1933 11553.77046 95556.82236 71252.38583 NA NA 14815.88377 12082.85814 NA 10773.77805 8931.172333 NA NA NA 9558.422215 NA 21165.21924 93339.969 NA 86214.47447 39157.0389 NA NA 55952.19981 29270.69459 11408.47368 NA 33877.24279 18951.18712 NA NA 51177.94434 32760.8715 9943.609227 NA NA 9390.514911 35634.09261 NA 15798.84452 9344.638433 NA NA NA 57388.39269 52555.93599 NA NA NA 104211.3242 14816.33867 44875.92852 NA 20513.41032 49108.75673 27574.54097 NA NA 40543.73496 94060.09698 5486.809168 75456.66017 NA 105682.4731 233644.4824 99216.24837 10924.26533 NA 37526.72018 9369.986186 NA 18701.83829 NA 23872.68303 91918.74815 NA NA NA NA NA 10740.77187 NA 41825.95918 93748.04076 69343.06188 49313.04064 97398.73156 NA NA 22352.75174 NA 13504.92485 251420.2151 21145.88022 28731.61891 11045.92393 21032.01675 18208.81901 14781.75707 30045.83808 NA 39249.87077 10942.34172 NA NA 29136.28381 27389.32405 14840.76524 NA 34082.32998 NA 79746.47825 12645.88315 18117.39076 NA 18024.42008 28386.80854 8837.188538 34048.80054 NA 69082.48285 101486.7702 162258.0902 NA 98159.00315 NA 25976.21546 NA 8460.859465 23895.79102 38003.50547 10229.09114 76312.23693 LysoPE (18:0) NA NA NA NA NA NA 1194650.934 1184180.482 1234966.743 1081628.221 1314007.431 1333488.787 1347708.582 1285446.824 1358595.808 1259596.183 1223109.685 1349748.124 1269477.089 1429070.448 1333784.676 1370141.799 1449443.749 1360710.568 1412276.054 694698.8716 1267019.326 857460.8466 2663154.921 1354094.342 1439392.193 926239.9976 1010050.173 2686570.432 532551.2508 1770955.577 835223.4768 3718917.074 1520500.587 1110791.339 570073.8821 1060098.722 3188605.903 1903605.822 510794.4988 744691.9226 2222978.208 716098.5019 928932.2921 938218.6266 751773.2245 2510849.522 847362.6301 977931.2929 1452235.754 1200098.095 3700489.668 1705794.253 1300090.616 803914.6581 811512.3047 1508581.561 863633.904 995293.4407 795661.0898 864051.7 1145060.051 1067309.444 373715.1445 712167.9809 706763.6941 2441155.712 889628.2087 2842836.81 858225.7472 1299689.955 880073.9101 1927845.27 928778.7502 1404743.684 998174.5077 1762003.357 750914.8338 1483852.776 965126.0056 2962624.981 1842977.851 2780767.241 864991.0107 1511749.983 667805.8817 1694098.183 897716.9271 1098486.437 1241545.426 1852514.113 900892.4733 1249506.505 2853057.949 1243550.25 1283073.322 608003.103 583054.6096 1885682.88 623368.1129 691102.4787 581222.4463 813791.8844 1475639.88 1246149.347 742985.065 706804.469 1088481.392 2224907.757 760630.8216 1529252.56 955651.3455 2177515.718 3438070.255 1396568.939 754238.8909 676352.8558 1357890.708 294142.3299 655306.7838 795731.8585 2911973.426 694769.4617 1439168.491 435843.534 650031.233 372453.6297 1076665.387 802327.0944 1154546.584 711098.0903 1034640.565 2863488.489 1353484.524 1159126.914 1943767.648 334329.5021 3332569.086 878022.7391 999080.7648 764064.1407 1423116.51 1369389.936 1764866.328 627715.058 1036373.366 752909.4937 470332.1898 1557751.37 892669.6398 1490878.781 758425.7997 943090.8088 837685.3767 1911505.916 1870196.401 654898.5129 785484.8932 905196.4639 757394.6503 1532273.973 729534.6159 1574562.392 557324.7264 771086.8855 1277701.496 1206848.57 669833.0557 447729.604 1575264.982 748567.7848 1608277.11 623814.8617 2233916.456 779509.1322 785458.1062 785050.7364 604137.499 1177372.736 1029276.072 1032034.96 2700907.801 Perfluorohexadecanoic acid 11623.30693 11458.97978 8803.836613 7054.086265 8039.526902 7022.717804 7939.032077 7982.102119 10768.23399 9657.568036 10096.88644 9710.309071 11269.51586 9472.438397 10961.55451 9857.674973 10460.41129 10763.92579 10660.1248 10220.744 9912.824573 11850.30132 12810.58127 10996.1702 10303.53792 14714.18031 12832.92936 12128.45805 11851.88636 10643.78779 13760.80517 13294.1352 11889.8577 10987.79755 13108.9669 14358.22367 13816.13527 11748.65276 13005.23785 11980.50105 12708.36431 12383.28593 12536.84383 13804.37899 12826.25826 12427.04798 10979.07074 13818.50965 12167.88961 13661.2134 9168.844967 13048.10744 14774.85328 14677.03926 12228.14835 12798.50802 13587.16114 11994.08994 11666.12168 12591.17937 12940.55571 13109.2795 13664.66788 14290.95648 9987.275485 12838.05067 11366.82221 12804.2374 12634.73795 13979.86149 13370.50867 13853.84467 14051.22131 13050.15291 13269.69842 14455.12648 12845.29297 13287.29552 12194.97959 12075.38479 12052.73643 12455.12273 12723.39637 13031.14371 13585.6656 13941.77867 13916.07625 13645.90302 12997.26748 13413.96437 14995.28055 13993.28575 11899.60291 16074.14532 13314.67791 10338.66697 13497.03719 15081.11408 15803.6913 13009.81013 11919.24607 11394.46344 13190.76712 15772.16812 12823.83658 11831.33408 12969.61675 12393.64092 13704.07754 12357.11193 12723.86936 10638.95232 13362.77497 13221.83267 12406.36247 14364.76653 14765.94408 11737.91142 14513.20483 13526.91687 11608.56672 13844.73487 14705.59678 11971.64307 14443.02558 13848.14824 12551.26525 14717.93433 11220.47077 13851.90122 13866.51542 11304.369 11015.51994 14455.80373 11416.97966 12562.85788 14256.17925 11223.56529 13637.56756 13315.31434 10718.76835 12700.52952 15465.94532 14195.23539 12191.7996 13122.82474 12191.72103 13332.65965 12381.34232 14471.46199 11191.01426 13572.16129 14447.59276 11625.24982 13516.59092 14565.46581 14362.82839 13742.56438 12981.23682 13425.76975 13736.38756 12587.4922 13152.56586 15072.04206 14151.97139 15170.354 10828.67279 13809.03509 14222.80373 12535.9877 12890.68044 10361.52205 11930.37934 14358.32665 14333.01195 13702.48427 12286.86149 13205.78594 14341.79903 13781.58497 12366.21864 15406.73239 13951.77788 13476.98017 13854.03623 14152.49321 14376.85178 Oleamide NA NA NA NA NA NA 294842.4333 287598.08 330671.0065 300630.7312 341450.2153 318922.5064 328065.0939 307841.3911 338175.7098 330098.5961 314505.2233 301702.5521 288754.5146 325826.3038 312511.5709 317769.794 361498.8766 310534.1487 319480.0952 14757.59359 517624.0745 129778.8409 657727.2669 13804.74656 328564.3889 16848.7883 428295.1586 286062.4729 14333.37274 433023.1088 291437.4742 1780877.785 1181495.238 30926.77531 9890.461344 996577.9953 1007160.277 129464.0354 15909.45589 174923.6452 1480139.903 12071.3184 302849.493 656822.3826 11697.17368 459308.1873 16542.24894 1959616.628 1820084.904 18884.0252 674437.3876 321879.3685 1050146.252 310462.2975 15409.52026 531992.477 143096.0048 17191.78998 9931.944482 359594.2623 754648.4899 384930.1809 11986.26291 74060.65153 311853.6073 467901.375 17236.38812 536482.9396 134472.2084 9188.044806 11952.03827 265728.978 169933.9432 12787.32345 381549.0576 121644.3816 56603.30628 173226.6508 15336.86378 135500.4822 34038.15918 10923.72753 59015.61712 132852.4518 15881.62141 837301.9994 15636.11682 516473.1873 11520.91323 136845.4939 46509.92926 15682.63171 112046.3744 39869.00469 157133.8508 14975.46817 52083.79428 2900981.338 21146.03171 1449316.324 12958.60707 115033.9649 482681.0083 963887.1776 370657.8215 14157.76675 252742.0385 575289.1092 13364.49167 229588.1017 15633.29479 518751.0945 1789683.946 876321.5959 11649.14037 185229.7844 634582.6571 9551.247917 17028.3937 70502.54116 102838.8696 212977.1504 478091.4171 12965.45983 265149.9032 9932.861208 526208.3156 17045.72249 616714.4543 258827.4655 14906.79824 251247.6991 303653.6958 450394.0292 619991.3905 9977.353293 94293.96011 132130.8465 11641.41404 929541.1352 18612.23963 1020458.07 1207316.791 15253.30751 279006.6847 58105.94519 10244.04347 69233.28699 15835.82823 648367.065 333185.4593 124331.8843 12302.93117 949651.0794 109446.5063 59204.80275 13911.24099 930478.8207 14237.82622 636573.4987 241045.875 436707.9142 13212.52272 46445.63322 120044.9552 12682.71398 485667.1518 11896.67378 440351.5889 1464655.669 2118574.019 14800.56199 414991.0833 10454.90823 378574.884 300802.2778 14987.47408 262455.7839 194709.3208 11172.91092 450306.3348 Myristic acid NA NA 7046.081515 NA 4848.76034 5320.959961 43353.39872 43062.28035 49951.935 46573.74209 45230.11311 46788.63689 47728.80926 42110.95407 47249.55675 52135.19489 43441.13234 42157.57688 42694.48622 47816.88136 47512.92263 48120.49577 47756.64597 51703.48553 49290.08362 113217.1078 36822.00768 37067.53656 34833.65963 73569.88466 43050.59821 143436.4979 38756.21944 76502.29606 62528.21396 37916.88992 39277.86081 46552.63689 43367.28905 120186.384 67828.12436 27485.77454 30718.82498 71861.97048 77881.98245 39184.73441 35305.15361 122661.1256 48660.61697 31478.00275 75779.91164 43856.614 92376.61048 18520.42195 27751.54601 146874.5216 79567.31582 65796.55606 35165.76425 44561.62886 137298.0563 50970.75745 68066.47645 161311.9767 39472.27577 23389.4042 17683.16468 38007.09167 81190.38399 41423.99851 39272.00497 27093.74186 22195.03749 25291.68189 43388.17021 30774.41188 53836.85271 33184.46745 41433.57364 44444.36925 141395.8861 56052.26792 43919.75543 59976.94273 120865.9029 44963.0632 38566.45548 48553.59696 61049.78379 74144.1746 182686.7652 28654.09198 88018.13208 28603.9342 91173.85133 45186.40916 30220.98382 67024.28457 49970.79237 46909.84143 34475.97999 53292.55845 25694.21642 32419.95306 138408.5277 23936.60333 69751.28564 35454.3774 29457.3547 39676.70988 51623.62829 158176.2542 47016.35269 55609.78588 38258.829 58032.40618 89436.61858 56659.22984 25188.6417 27715.14336 82617.36366 29068.23005 26001.92067 70931.04915 45527.94355 30006.78202 36727.93104 49676.37985 35678.01368 24228.84204 27521.35589 29004.21422 20115.22124 231306.8388 42125.88339 49317.09623 53765.89978 52157.3114 38351.25047 26250.5976 25745.00575 63888.43947 96016.77506 52178.29842 105877.2166 10442.50501 266495.5667 10332.77459 26800.59881 48972.58458 27713.3041 30622.58423 50975.4539 45245.12238 51495.04048 13814.01191 21099.48429 41501.70972 95669.81946 33289.62961 56975.35643 38190.95742 59358.06214 12951.94582 84064.95991 24019.7518 31901.17716 31832.69007 82315.20933 43822.02885 41879.6017 78261.45865 29888.79454 101581.1914 53874.5529 11938.42593 14535.66005 111249.14 50942.36592 108773.012 30980.06028 40331.58142 107215.6029 55140.78442 31693.71013 32734.80911 32240.11997 Bilirubin NA NA NA NA NA NA 238992.7631 223727.25 308750.3639 251352.9795 255996.9997 217087.5633 192278.1894 176101.3037 174318.9994 152783.9306 134706.5531 196876.3116 197581.2695 210128.9644 172363.747 243286.8268 231660.9921 207814.3605 191883.8341 1283212.867 66080.04111 14177.58609 NA 1043432.211 12901.59067 796398.9319 24648.31786 60023.68213 952656.2863 6564.469266 7270.594373 7008.194145 10714.92248 138723.7691 743275.2268 11580.50172 8713.90338 12659.73268 586660.0859 NA NA 989001.8827 10096.04054 6202.180112 752757.3431 12576.22459 667406.0135 9020.487201 NA 617179.8434 NA 9038.637718 13157.86399 5409.827633 1350302.226 64737.51344 12751.42321 927195.7201 812033.9864 11848.97871 28677.86589 91224.61177 1475870.676 29125.07125 NA NA 861141.6993 5078.374634 NA 502569.7234 901430.2393 19191.905 12497.30886 493300.8302 NA 6352.084588 12838.09862 11022.97201 903938.2005 NA NA 617138.4111 NA 7794.244143 447017.6974 39229.51619 1482129.642 14341.68352 604253.2984 7593.462126 NA 846701.9645 NA 11970.89003 28067.45389 881516.8796 9607.655031 7470.584196 1122306.993 NA 694870.471 NA NA 21742.26653 8867.854624 1101777.146 12011.83177 NA 1014808.561 3590.354359 818904.9774 NA 4632.808252 NA 755224.0638 10264.16544 136625.4476 806315.2276 1099681.404 10957.30134 NA NA NA 650729.2838 11330.6143 747594.0722 29571.66424 619465.0204 96665.59848 NA 814170.4869 6827.180324 NA 2341.53508 NA 86962.26075 NA NA 878821.5573 NA 1342297.553 14131.72816 14717.53275 505348.0184 6612.298663 29261.43708 1186114.387 49738.84056 1090934.439 18629.13684 NA 10269.39969 1314615.801 15458.71601 9681.707348 6263.043904 813400.7504 NA 588012.4822 NA 7430.433323 103310.6331 1148686.256 12423.25818 8779.011362 1384819.866 14556.38755 772029.9458 14034.76965 NA 24955.61641 1102120.336 28728.25779 1252135.885 25213.20644 15058.17322 787841.1783 11324.86206 NA 688384.764 8339.131085 Protoporphyrin NA NA NA NA NA NA NA NA NA 6922.182373 NA NA NA NA NA NA NA NA 9080.810815 NA NA NA NA 9074.651196 NA 29200.0582 3537.303538 NA NA 22066.22793 NA 18578.46861 6531.75952 16388.19911 25303.30267 NA NA 19919.29269 24174.90655 5669.511522 20189.26163 NA 8824.560532 10025.62954 14480.27274 5777.995104 3164.020687 20881.48081 NA NA 17775.5163 NA 16191.3161 8807.935112 NA 14434.30655 3299.583164 NA NA NA 28180.68559 NA NA 26147.61976 20359.11692 NA NA 6235.202001 29225.23951 NA NA NA 21725.42384 NA NA 10506.09719 20453.18404 4964.138055 8462.737548 11503.06163 2814.940674 NA 2803.685487 6537.183773 21303.37418 NA NA 15791.63207 NA NA 14072.98092 1827.829614 31456.73333 NA 12840.38737 NA NA 16692.63705 6989.218015 10289.57769 NA 20529.49718 NA NA 27510.76285 3225.977078 13932.5725 NA NA 6692.273577 NA 22642.17104 NA NA 21955.72275 NA 20303.50761 NA 49370.63697 33348.82055 21907.36312 NA 8948.114961 18001.94762 21469.12561 NA NA NA NA 14991.43512 NA 18508.69895 NA 16236.85093 NA NA 18624.40125 NA 8050.346726 6017.566037 NA 6356.74162 2422.913654 NA 21866.32257 6967.988225 28037.98232 5947.404261 NA 13625.3434 NA NA 24082.92054 4406.669304 23012.99541 10181.3376 NA NA 31252.8016 NA NA 10411.71921 20498.45977 NA 13322.10917 NA NA NA 27212.74034 NA NA 29281.00242 NA 19680.28122 3989.835402 NA 7175.078749 26319.50116 NA 30041.4645 NA NA 20775.79028 NA NA 20373.30011 NA Alpha- linolenic acid / Gamma-Linolenic acid NA NA NA NA NA NA 95735.54351 99146.3056 115863.6656 101559.2977 124779.045 114741.5584 109424.5195 113273.9392 107455.6745 111563.0445 101596.3833 95179.45421 110762.3706 125032.4462 124268.6643 113073.8696 132433.0112 121514.5667 121625.2364 314219.2298 155589.1103 95510.24855 50364.72126 90290.78101 46788.42216 427753.087 87265.10495 290673.665 161717.6174 95615.29106 44451.38882 130384.6953 66748.59959 198229.2007 173311.5422 50952.22193 120627.7057 76205.3776 85701.94136 27193.72939 61676.02946 220767.2114 55327.3297 70691.89753 196313.8496 145146.9391 151020.7985 52778.37222 45212.44213 299921.5077 235423.0512 100943.1252 119514.0182 60050.0104 278169.7226 242895.7445 110394.9945 341634.7989 90474.565 22449.49424 41333.00234 137423.2976 220575.0351 69179.38149 26143.24762 45926.83762 65477.69886 84059.29404 31235.74674 61269.21921 186350.3995 95561.55421 64831.10716 128524.1965 123987.6353 110884.9129 80991.1616 155716.3729 265851.8418 178921.827 110000.553 183750.0866 83785.65193 147392.66 293140.9182 145963.826 277629.964 99731.35613 135166.702 74060.22895 33781.21462 164169.2489 109873.7477 79290.92267 43237.462 70963.27095 15061.31753 150883.5049 344624.4708 66606.93003 111133.625 35810.02428 52259.02554 128261.5002 87273.93908 285816.673 33586.69622 72563.82329 59799.57049 32651.79303 82606.31109 55131.70252 100933.5609 64890.02233 208624.9786 110082.5686 234435.1536 411578.1825 125787.319 46985.78169 103342.3678 49265.95701 106310.4703 26827.16078 11080.5421 26856.51131 21980.96535 458360.5615 202712.5944 98819.31156 204207.6323 222010.8412 80389.88974 73882.78799 115345.0437 86499.93633 310411.8968 88770.10961 286467.2209 16888.53378 585380.4454 33700.1897 53053.60518 93592.37204 41187.81778 58872.4441 141162.7355 100342.4914 109671.8628 58783.91122 31671.89282 61688.51152 192121.1239 108224.967 174656.6764 71092.42289 266244.0972 33786.15302 168626.2296 134426.0347 37670.79143 111540.7636 145843.1237 35511.43867 44883.72728 108204.1743 60419.52581 226769.3256 128688.8431 42749.04754 71607.32273 154188.9117 108620.7605 194140.2175 49062.37512 104095.3807 271041.5152 208322.7263 55959.60548 119764.5988 104522.7407 Eicosapentaenoic acid 7072.042965 5835.627491 7386.613506 7592.316796 6631.925239 4037.629804 98336.76688 92960.9869 108614.7308 105935.2321 117991.1488 108749.9424 106948.9866 112448.9662 107103.5558 112436.9821 106435.0212 99583.55333 105409.2649 122069.5394 113077.3911 117096.1119 122941.1951 109234.0454 114932.826 110259.7071 76695.94572 53666.38247 130201.326 54080.8454 65332.31855 111881.4727 52295.01036 180972.1806 75781.06827 143258.6085 51883.22684 226706.761 93518.31502 89684.56975 78493.02161 64849.84292 276283.721 122255.2085 58823.43654 37124.33989 109012.0236 123206.904 43014.00149 50059.75579 61607.34741 149047.2808 76459.30383 62990.59438 52309.82147 211188.6345 754572.6712 202545.3346 92216.92609 45356.62589 130890.8581 124081.4652 62158.06081 121315.6755 49863.08612 26737.29802 41129.65247 93156.26631 116435.3953 57588.07126 48217.28948 137311.4083 51777.64264 160415.6946 44152.75794 48655.48464 146549.1498 286555.5 135162.6745 155168.92 172642.4965 490900.7724 57860.45532 91006.98312 100686.3255 576363.299 291811.3407 227216.669 58323.11643 97331.66328 119765.6199 159726.5456 194308.7888 104465.6843 103329.2157 160313.6822 51416.04894 101737.6448 260701.9625 149437.4792 63093.1942 76482.79278 37700.75927 108916.1338 108386.9881 40669.92172 76181.83193 47279.02364 67902.00245 100760.1556 59252.96014 84578.91545 76559.92229 235191.5727 73856.32257 167424.3866 136853.0365 422315.4114 382875.8924 142920.2864 182801.6577 52145.29054 94278.35266 83639.91728 61598.34239 68385.39071 181616.2492 73815.21123 183984.9981 48187.80865 32314.27096 38401.78045 48276.71645 160890.1054 91856.19093 50925.73335 136717.2109 597165.5811 123919.207 124638.0017 259844.6716 60612.27347 662907.9998 114387.869 126623.4821 83878.86711 214593.3251 132822.3192 88702.22467 56723.6221 66945.62743 124329.875 129838.7102 297522.9333 80868.99072 75230.96549 41806.68511 69814.06423 104449.9365 159712.5632 123488.1115 40659.30377 89056.76009 41848.2194 127660.8126 207493.442 38992.96019 71913.12555 55678.84605 61759.74423 103637.526 96143.60512 45533.36973 79530.93478 107066.2183 27721.40059 56913.34336 54432.66154 94076.07654 65386.94501 41277.90718 94048.0897 133604.2558 155906.433 47961.3557 42837.28493 112798.3474 PAF C-18 NA NA NA NA NA NA 15547.1194 18900.89699 19150.44676 14995.64431 15848.28889 8106.249037 21565.30168 14006.22478 17543.52945 14444.0196 15990.30183 18953.53501 19918.09194 21839.00388 15858.14316 17408.78511 22348.30806 14586.67265 19945.3056 10043.6311 10263.24276 14897.26325 17669.06054 20161.32427 18687.5108 15301.14604 15438.96824 22575.7941 7985.61423 19031.84034 7871.962778 15745.2625 16353.4369 14196.79536 12453.71194 13571.7187 20006.35136 14888.10956 11544.20806 16706.39982 17770.28299 21794.41308 10550.02679 9790.716818 10448.01845 17355.08443 15864.03571 13565.39049 11709.13714 14979.80906 23937.00125 10858.35259 20238.4683 12563.19769 18233.03145 20443.83167 8333.240504 14419.82286 9878.80312 20789.16467 18503.23953 18476.55222 12092.94263 14061.01378 11804.36382 16353.77076 13720.07342 55034.47872 19526.95094 58148.84657 10975.58208 22759.97472 8029.729201 11276.91439 12802.45874 20501.95907 7455.442564 15683.40039 18299.47763 18812.75799 10851.35522 30869.01578 5716.876183 13915.87038 12179.2224 16461.25506 18626.6808 9754.442879 12273.0459 25978.2504 7869.718914 12857.34627 21156.67952 9183.146241 21064.38195 14121.60512 8031.625569 39267.53857 10212.86872 8201.353206 9165.669074 6223.151782 14140.4505 13074.35075 11758.19395 28259.73445 9080.648676 19134.43428 13492.67954 22716.03849 18926.02284 17085.64727 15944.91498 12023.66171 15742.61742 6926.130517 17093.48241 7869.762018 13606.08205 11242.60487 30828.30385 15987.36816 14254.82051 5593.506327 11433.74262 10750.98157 17020.93981 13619.07136 16654.29522 11783.59659 14020.38019 23556.05639 17895.91802 9436.299858 20098.26121 6679.830616 34796.28444 12227.58739 18422.2149 15500.51606 12808.79935 15207.69121 9358.104427 6804.875262 17220.52359 12569.18644 12313.73963 11442.06971 6898.766895 14483.9766 11254.87252 12310.36179 15472.45638 16232.51181 11212.37456 10415.80393 8781.62406 24684.76331 12779.15643 22406.90147 16688.49179 18936.12159 9863.995697 10213.72132 31768.95638 10787.60312 9657.302879 12005.44098 19959.8687 10594.26227 17360.15148 7656.165716 27039.52009 12203.35053 9252.569723 8210.67177 14256.68248 20192.68918 17482.00481 18932.59746 20053.07726 Palmitoleic acid 5820.226252 2418.374093 5722.946736 2960.049879 3820.457446 3293.50876 287182.5452 289122.1852 336551.4207 317609.8221 332269.481 338687.9524 314793.6468 331193.2977 312533.5903 327443.7041 297722.5018 307040.3006 305850.1395 330614.0837 320550.528 315525.0333 328154.7073 306189.674 313288.1091 651759.4239 339341.9427 185268.5627 238297.8746 381128.1329 215027.5282 1052527.025 279240.353 712213.77 340414.764 201105.9478 117206.1121 423929.3958 293978.066 957274.7674 585133.7524 175684.0885 325013.1663 522743.9402 181102.0252 68032.41739 297236.824 731257.3744 232274.1926 97758.53785 229030.6449 176871.2965 375308.6228 142161.9389 144925.5628 942689.3644 625744.3051 401574.8378 297727.2084 186009.7423 633779.0289 1136212.485 645889.6387 1415775.305 163944.5313 87389.30168 112455.2775 290146.4944 399924.5372 136239.1987 75130.18245 143120.4767 132072.9432 164934.1149 138808.4532 155231.1567 289450.8629 161512.756 134468.8049 255448.9168 2112506.716 400437.826 230148.8205 538163.3991 779381.7962 240734.2766 189234.01 241481.63 295839.9696 450111.0471 884410.1021 921295.4516 871183.8884 351282.2227 308842.3121 173064.408 94646.30532 378271.4569 238326.6176 185883.4627 214431.102 244749.8863 68718.24001 302021.552 696713.967 147840.1764 478690.5805 198974.5638 246239.8825 355504.5577 312016.7974 1298622.543 96654.71899 380991.5552 100884.0415 118189.3004 170396.4035 166848.1086 249476.5518 212484.076 572348.6803 74644.37494 345250.1991 196531.6819 284442.2287 121738.2671 245526.9964 145231.5746 193075.4248 106299.519 42189.39074 72785.39337 67281.40126 972687.2193 499389.5339 245905.4331 232450.92 221316.0714 115925.5187 92723.03513 116427.8436 145777.2017 754377.9652 366130.261 799237.5881 56923.17093 1215563.429 203214.8445 180512.2609 334915.574 127189.1927 156708.2937 373547.0451 294935.0778 309911.5873 168829.7231 103652.3766 169972.2648 548394.4385 275097.8811 361151.2858 419274.1165 468010.896 104063.1939 450091.854 358206.9193 108646.511 290653.5031 456653.4933 139357.9406 154242.542 319259.6193 267480.7445 791261.2557 471080.7471 268690.3125 394453.6186 746778.9463 402724.6892 612921.4552 217593.7959 217224.5783 582999.2102 425499.3292 143797.4456 138243.5828 135517.6669 Oleoyl-Glycerol NA NA NA NA NA NA 26115.96228 20856.66931 29914.30292 35277.88609 28660.08131 32403.90936 35799.82796 42746.95287 26188.87861 29668.65612 25319.64707 24685.64715 22803.31196 32684.33041 24426.72054 25924.02441 25806.64061 25260.86817 21573.38683 NA NA 14845.75286 40371.11048 NA 61943.66799 NA 30888.99498 37203.02245 NA 43887.17884 42729.02283 61661.80059 53447.92826 18535.78111 8236.532778 49203.45959 NA NA NA NA 86488.40968 24359.54909 34716.2874 51136.71837 NA 62668.91679 NA NA 63510.27635 31155.72484 100767.5761 120450.3183 32289.11934 31674.43822 20239.76515 19889.89432 14965.12437 7887.510564 NA NA 13878.47358 NA 12673.56906 26020.61104 NA 42650.67054 NA 73114.20598 81910.98521 NA NA 28701.8726 21390.35288 11075.35218 42931.62213 42046.10157 22370.76755 22484.26744 6830.275085 96256.52446 79119.08337 9396.655879 25155.18595 24614.31185 6554.445305 29637.39709 6815.550145 17669.88524 NA NA NA NA 46768.4973 63305.74648 NA NA NA NA NA 29110.03514 NA 36013.109 NA 23780.28808 28821.88651 NA 74402.45003 58289.94899 11048.15568 101877.9228 NA 89173.95315 86540.30231 92599.61805 25222.61059 NA NA NA NA 29202.80613 NA 30530.59597 46608.56961 NA 16679.35092 NA NA 21321.19199 NA NA 54626.27315 63868.51309 78027.03724 61769.25651 56037.92229 20296.82636 NA 39052.40803 NA 41815.62565 408280.829 48294.83591 45205.57334 14305.84605 51352.82591 26061.68824 11106.35921 56660.57279 13875.28057 34240.12836 31443.5383 32348.78418 11628.67605 35709.49644 33944.65989 20419.03043 8390.916695 52287.042 NA 59456.73203 37918.32189 34039.43261 13856.43008 40633.31517 34498.91663 8137.505083 31081.59194 NA 25948.01869 66745.71085 101918.9274 6154.057438 NA NA 43008.73495 20052.04931 6482.262253 NA 52403.60223 9063.377502 47953.5498 LysoPC(20:0) NA NA NA NA NA NA 57622.70796 63423.14196 59300.61106 62377.71904 66345.02954 65373.30408 68362.66938 65904.67806 70894.93707 56926.83874 62999.00473 68439.25253 52389.87295 67876.29446 69413.38907 67629.0872 75356.65101 58515.99664 68482.51685 68361.90737 66932.89033 40896.46094 178034.4675 162677.318 68299.19527 67721.51116 35083.72043 115255.6727 87991.70309 100704.9335 29800.45029 158941.0966 59779.22753 98691.0884 92102.93326 53052.87449 233043.6025 94583.66761 40059.1701 24536.07846 116092.6343 127403.4403 63209.12179 44331.66548 106989.1847 191678.7986 122218.1724 NA 80151.79082 101564.7442 157576.4774 65109.09767 58871.24385 30584.32601 47526.63766 107527.5639 37865.38225 104122.3858 73900.29107 28922.49266 53201.68441 93404.69015 62603.92747 26592.18318 25654.66412 137718.2763 88499.93047 475765.0068 148637.4622 453006.2141 110867.9464 113723.1415 43922.40507 82662.83153 46792.05732 77472.41047 34479.14029 107577.3466 132357.8724 150305.7778 67220.55302 222686.3369 35216.51113 77809.70244 56458.02031 96758.54356 104542.8167 55509.12127 135991.3195 88268.91919 47762.87835 145642.0183 147224.2908 40620.92903 110109.8406 75795.02768 24283.57088 95453.85144 67172.03145 22351.65206 51155.65336 14610.64 63750.5624 61551.23657 26730.21338 60229.46297 46659.26011 161012.7522 106583.695 61190.20102 160019.9149 157259.752 111431.7395 55137.55683 77500.93239 43755.85581 67215.27782 61815.78648 125524.6919 48819.79959 208732.256 39982.07256 90489.57786 37485.73189 25517.76753 50338.3175 68397.65053 113292.0106 84646.17295 32457.37225 112919.3699 158768.2254 68435.94648 31258.14954 92260.69861 103809.8108 283043.3466 29265.12456 83227.37043 38798.03767 101572.1411 60038.62649 80165.35989 58713.64734 39474.83551 41980.42423 56026.46779 100849.9094 55560.00584 56927.52624 25972.3254 39580.56932 115479.9151 101984.8162 113646.4945 21438.5954 60362.09112 22165.77553 105494.5859 98842.58451 21163.21388 104858.3661 82263.33183 37967.87185 81789.84315 104459.0415 40580.34946 82447.10997 101938.3375 32051.04167 89618.93586 54421.34451 127061.2017 97329.86041 34401.87524 33058.99078 76615.03618 115713.6975 48268.27766 109846.7843 141701.1232 Docosahexaenoic acid NA NA NA NA NA NA 645747.7995 632268.1106 723090.6614 677978.8099 723803.8845 701145.6687 711178.453 704061.1178 702804.8585 721864.0495 652097.2251 662846.5021 672592.9045 743187.07 694253.5507 681896.521 740135.0919 673080.4917 699555.6587 1476359.159 765904.9046 389567.8608 817539.9905 835099.4879 432317.4478 2715742.749 569263.7645 2484446.652 1415816.967 1264617.884 402833.877 1405268.624 574727.6176 1087010.837 1132134.149 314384.9568 1290284.798 694615.5903 582498.5535 189801.7157 1629007.876 3179568.77 687164.3408 313691.1102 850775.3758 1070513.454 1135937.042 314184.1179 376353.7238 2365457.333 2723042.268 901417.6933 1037445.207 400870.4708 2384490.058 1214496.437 494387.809 1585863.203 460867.2353 110371.8187 271294.834 1155472.166 1624869.956 521744.9865 321293.3149 1147794.058 790557.4636 600840.2903 131485.7362 281244.7825 1721948.091 1160071.834 522147.9095 1102600.982 395097.5523 1101516.765 382472.0717 917528.4448 1514251.659 1112122.191 532192.7529 1059718.019 429278.2522 902326.7135 1737027.481 1277992.384 2488750.633 814059.1411 715065.287 554139.8187 147600.1933 1089779.256 1243650.459 598042.6232 657832.2852 1148502.3 207577.3038 986961.8104 1915084.217 277368.1238 773986.3305 257708.3372 425526.8375 618733.8524 344316.4513 1137562 440515.7758 1334317.372 967768.0045 607236.5476 1862482.227 1893875.862 1266440.521 512970.6606 1681295.897 198010.5774 467010.9196 809004.3485 874961.2797 392391.0253 1257440.489 254039.5519 653152.329 567641.7962 182282.008 444211.4102 353175.6317 2148914.489 897215.2397 398454.5166 1132040.753 1556034.454 423919.553 197215.9338 475304.7996 854423.3969 1131013.41 218929.6044 668743.439 284007.2493 3121453.191 515096.685 598723.3546 945207.9121 330370.4617 513343.4478 1230264.769 1231057.052 1068402.591 582514.9486 246926.4027 329713.0949 1120766.216 695384.1882 1502012.812 435484.0888 1708965.96 174425.8018 1040682.032 1008038.889 224042.9436 776834.6444 978569.7225 252763.308 534533.2555 1020548.363 365019.5759 1300114.872 1051416.882 230401.99 573220.2959 845427.3765 663187.6083 719896.136 217376.711 381424.7413 1046050.093 823467.4934 285544.8726 534436.7756 731296.301 Linoleic acid 9720.165519 8759.660321 8369.192877 8675.588941 8791.813753 9121.030892 1159703.809 1119324.196 1255206.926 1137141.511 1273715.083 1202490.717 1233021.34 1213902.884 1186870.019 1262217.949 1143159.344 1114958.047 1168130.956 1281228.779 1214740.855 1223730.513 1365701.477 1314390.691 1281524.671 3122232.679 1572236.01 996770.266 737720.981 1161401.977 669577.1171 4658693.209 1183620.201 2793159.246 2101661.687 1335840.434 802205.1358 1291210.207 977600.9303 2670601.028 1976630.699 529656.6242 999789.3226 936380.2815 1155649.028 380486.8921 869533.7171 2584836.752 926369.4246 835125.4064 2262688.247 1638695.653 1716573.088 502516.6099 582919.6228 3142878.298 1773919.203 1227085.12 1495561.027 871497.9291 3296858.2 3483492.961 1795368.304 4687119.248 1288232.446 407001.0296 649016.3879 1642477.396 2516128.575 963070.0285 302302.4057 561205.9194 727601.9896 1196462.7 707172.5476 1194644.902 1990623.729 1052781.226 779968.8207 1130037.322 943478.7279 931373.3639 888017.8862 1662287.346 2889456.436 878489.2764 619420.1034 1002955.744 1213475.237 1833606.802 3811240.001 1498768.361 2696007.056 1052004.738 1320320.686 810225.745 413646.0427 2016520.888 1329538.427 1038387.57 568126.9296 924575.9824 332196.7425 1534504.713 3847408.048 717750.8776 1388356.339 512170.0686 649137.332 1290025.829 985200.4837 2657767.686 529974.4203 823103.6919 773091.9896 610880.4427 1290073.208 879015.8257 959316.1908 610002.421 2002606.483 569539.0621 1046206.873 1873262.238 1752821.38 712861.7376 1100994.969 459246.1596 743012.4724 575221.1666 247634.4029 448367.6186 346928.462 4114886.596 1858223.011 1054833.902 1753893.817 1303423.447 674823.0375 804307.344 947399.2405 1038637.824 1994549.104 883485.7826 2585097.065 287905.9112 5405403.517 436503.6013 742359.1332 1333270.194 593305.5022 720729.112 1721216.133 1161755.934 1354394.925 709965.5204 403425.6035 635574.6484 1859305.819 992697.2083 1993398.983 989668.3772 2860052.006 399216.7036 1855468.656 1347388.777 600875.706 1495913.449 2097287.225 556211.6093 732692.6413 1502970.234 1004778.483 3222746.481 1738903.319 606482.7036 1104330.947 2243251.632 1309920.284 2414600.956 657225.0851 1146867.84 2656986.786 1772809.946 723071.785 1377347.316 1083934.811 Arachidonic Acid NA NA NA 2962.303977 NA NA 1634333.252 1539322.354 1761888.511 1640268.505 1802985.8 1713264.116 1731727.29 1738680.778 1732500.205 1801752.483 1619281.784 1620211.849 1733350.884 1865462.381 1781647.557 1735981.729 1894632.625 1752272.913 1813568.399 1469992.982 1776829.765 996488.9049 3223743.376 671536.6964 1658662.623 1672542.628 1285380.05 5181901.982 1169473.075 4233169.194 1376377.844 7735620.558 3204806.618 1382510.846 876416.9512 1322129.272 6630069.888 3371972.189 678242.3145 622924.8305 3171339.092 2085544.235 930851.664 1083949.022 744744.1035 4167181.533 1289918.139 763949.3719 1052936.187 1482191.294 7115466.463 2403357.278 1623676.194 739243.7904 1649876.425 1956282.119 945291.095 1212217.025 534443.1166 566662.0941 1109241.933 2500443.316 1411921.059 1212637.747 1374160.098 5025604.326 830426.2104 4960493.258 1118222.34 466594.5579 1079440.727 4311476.957 1763901.388 681112.4195 1191511.204 3575572.013 921196.6659 1774698.549 1086297.975 4334993.402 3227928.383 982031.4787 1472620.702 2625583.948 1981374.2 1355997.675 1103638.383 934122.9211 803509.7333 2175910.955 644092.9152 794639.2963 6163259.028 2444118.454 1757239.491 1047098.606 710215.6941 2100530.169 1432239.944 611389.3978 809806.733 1227580.16 2010630.595 1978931.5 979892.9648 1257403.349 999462.8701 3199192.849 450374.3868 1516065.21 919658.0012 4081515.798 3610580.609 1344389.196 1182482.947 518490.7844 1263963.452 493287.7307 703013.7742 1858227.915 7585878.677 915056.2129 2278094.804 763987.4818 528057.5682 521693.4847 1051108.18 1787445.338 1423374.399 755871.0391 1131880.895 7574140.717 1757537.252 2229145.76 4445062.684 696735.3609 10008533 1382982.614 1066107.468 599277.852 1902431.841 814254.7629 1981023.41 730386.6306 1413186.146 1124051.202 918014.9148 3599136.17 733982.8352 1189241.57 588522.7166 1588540.52 1198092.504 3604683.494 5227754.752 1293232.025 1820659.315 395373.4249 993741.5447 2002734.558 854814.7786 2410101.029 1049172.528 1198706.634 2175209.756 1166109.666 807209.1407 754135.69 2954336.554 461127.4979 1024853.326 672725.1523 3294839.73 679436.1739 881327.3577 1403499.638 1571101.738 2448062.002 1202174.67 581568.2772 3627423.386 Docosapentaenoic Acid NA NA NA NA NA NA 122588.7371 111072.5001 136195.0298 119937.4535 166022.9578 127771.0181 124803.5925 126062.4278 146023.0937 142536.3207 125113.8407 124529.6217 136470.4545 146299.8573 137417.8589 139636.7633 143751.3289 141782.2167 144457.2832 209934.6764 158453.21 87014.37429 235635.0629 101286.692 121108.4898 370693.3863 112601.9208 442362.8763 150804.4521 241606.2179 71805.70234 370593.2792 165027.322 189106.7156 139603.178 82985.91841 406064.9333 162764.1095 73778.69493 42807.76347 139726.8778 184254.3312 64190.92618 62634.77576 67402.52599 223100.2077 124663.3778 55878.55951 68760.52675 252550.0007 615810.3659 193906.6104 190983.0215 79760.36396 299307.8027 258089.8752 89506.59904 252313.9077 48980.01758 19768.65817 44369.78986 193182.3301 233287.3458 95490.04617 59893.53176 247320.2037 59832.84672 243594.1771 37530.46726 44260.65937 182435.445 251194.3114 92387.70965 104395.9797 75987.5888 250788.3673 64081.68674 134446.4071 144650.8364 302446.0158 174966.8228 123927.9582 133283.5375 255698.0665 329544.6108 219030.8286 322361.4675 146626.0144 80069.42678 116235.7287 36928.76053 114544.2115 321021.1359 147375.1337 90630.50321 95913.48899 36182.97514 189374.1619 250602.7649 39941.17967 82818.54876 57840.27216 109521.2129 133013.1054 68262.34782 146340.5004 75829.74362 231718.1729 63917.80353 75879.63662 104862.3193 272309.74 262653.2414 113211.0038 206857.6638 36071.8083 83396.1778 65009.02323 99541.71153 84429.21139 265458.958 53847.77178 153562.0248 33918.75036 26003.10414 36895.77185 47825.02217 344735.7468 183924.0188 93059.38095 140694.9806 446805.457 109312.8547 94375.6636 206671.2265 88445.49818 449141.8273 94927.73707 154443.2595 39063.26214 582380.4046 66906.01682 101799.8153 76778.39646 58303.47635 96959.94256 134771.5323 223151.4985 121547.0324 112345.2225 52882.63239 83525.93154 168477.6837 216558.3999 345673.0118 95822.28297 266258.6016 25468.84861 138553.0527 155296.6362 48314.55294 154339.4468 128869.3723 66043.10207 123414.8202 112681.1412 67883.05703 147069.561 196524.8641 54006.81241 123492.9352 166861.2351 222896.045 117350.0997 66374.27085 174239.9447 327978.3893 336082.0882 50205.54186 51968.08336 131594.3081 Cholesterol Sulfate 82686.26939 143486.3502 74772.75345 69170.00563 131286.6108 60890.92386 3899463.861 3694938.768 3786484.568 3528610.557 4203276.101 4151232.068 4143678.004 4129907.927 4134409.675 3998745.595 4191904.495 4291421.253 4108484.655 4379243.973 4193386.714 4344660.404 4594592.112 4409949.179 4472049.919 6071987.52 4689620.331 3592129.702 2613911.714 4505364.329 2380511.499 3870365.453 1773735.823 3646340.928 7603623.638 6395973.056 3937276.68 3966127.936 2828677.3 6984117.673 4857707.58 2063410.173 3429437.66 6187124.966 6494505.237 3461012.866 3502537.004 6020811.605 3036163.178 2875530.167 5654546.511 5893913.99 6842405.256 2658566.64 2990439.4 7107397.847 3611381.839 3039395.611 3841854.454 3048852.705 5141931.276 5486934.09 3474277.015 6005610.146 8459862.974 4078015.691 4892566.639 4451165.533 3756526.014 3343343.753 2246664.207 5440113.967 6380203.809 5208363.13 2550134.697 10810642.03 12613264.48 6251437.858 4818116.326 9541424.449 6421847.532 6420361.34 3061891.937 6261339.36 7394013.611 6223602.949 3081039.52 7240333.819 4227976.301 5502863.813 8052528.149 5936549.646 4322775.347 3575480.03 7154001.655 4097493.71 2735193.457 7012747.599 7517938.632 4458281.279 6293829.467 5019926.342 3275381.407 3305174.709 5189380.101 1924547.427 6007827.984 3141631.703 4946670.991 5531517.015 4707675.622 5617029.734 2579162.039 3312249.348 4651771.429 3383793.493 9239090.505 6652104.996 4838838.241 2636834.468 5631677.958 2998991.196 4608479.047 3234808.952 8987591.942 4392417.623 7667738.1 3044237.552 4104614.112 11991102.8 3453761.823 3802400.008 5633064.728 6447788.865 4405437.81 3800062.549 8822900.595 4880529.389 3047509.192 2902740.116 3917916.34 5519274.653 5580715.887 2863852.481 6174753.512 3124776.581 8523881.771 4637935.825 7650726.629 8559455.756 5044520.675 4206853.414 6725976.144 6410631.973 8212287.689 6134460.547 3441575.547 2990429.373 6283158.25 3265760.715 5339966.982 3110888.906 5187149.887 4294004.524 15558072.4 9827887.817 4038827.413 6401626.017 6435010.524 3238966.701 4166629.444 5235395.943 3320823.908 7277857.33 5683466.468 1908025.736 2639063.053 4605237.026 3908502.782 4520143.389 2107303.783 2447169.618 3355852.42 2647406.13 3499982.037 10726900.01 5883602.004 Palmitic acid 345877.003 247350.2352 158585.3243 245001.2732 222728.3037 114576.4426 1180893.908 1101317.235 1204257.073 1071894.13 1418065.338 1183159.739 1217607.446 1192229.768 1223839.07 1248568.161 1164419.607 1176510.753 1153615.82 1245796.992 1248900.607 1215222.8 1252334.887 1242852.968 1254875.27 1582454.988 1227936.948 893545.1812 1131053.301 953036.0051 1088329.766 2140862.623 1218978.627 2010437.231 1188839.712 1224537.679 899356.7786 1315262.602 1241069.613 1645611.384 1211288.898 866494.5377 1153397.267 983110.5363 962617.4241 703412.4083 1051073.178 1601865.257 1010281.471 973191.8773 1187543.358 1261918.141 1330077.027 1020286.383 1323587.624 1783743.728 1874545.497 1391852.739 1394768.955 963529.9548 1931744.609 2065524.21 1162855.135 2259211.4 878214.4538 678933.6303 797572.2293 1458696.511 1485967.523 1007584.817 830584.3274 883168.0272 745583.1912 1057053.376 745077.073 861013.3396 1238655.322 1628838.265 776807.7913 1005371.247 850430.7448 1269196.347 943641.1052 1511458.463 1718551.063 1236437.04 902877.3097 1089539.783 1323643.916 1567546.152 2296704.084 1240134.301 1543658.382 1062650.974 1049605.803 1002735.685 848022.6143 1257375.598 1293218.437 1017100.555 1091313.875 947365.8878 716731.0109 1757026.267 2014464.536 635250.8788 1260393.795 886252.6988 1260174.359 1273061.843 993541.8986 1481335.011 1001556.457 1007982.391 725804.8727 724406.7805 1218957.067 1227081.462 1244142.557 965167.9199 1285086.366 771079.6686 950883.4693 987753.3324 1218409.751 896500.2112 1151351.188 763700.6708 1377554.955 764571.163 742215.8591 715336.3568 777752.9568 2305222.247 1608524.902 1098680.96 1268052.775 1207377.039 1016947.979 823071.8141 852220.1561 1198367.964 1576113.941 1028861.96 1440701.452 810131.7825 2489451.681 1066694.605 1498115.184 1243288.537 877748.4318 855041.9247 1121195.716 1197827.145 1165754.901 1364703.233 779522.4885 842632.994 1275664.834 1127846.787 1614737.165 886708.7033 1455728.041 561353.3534 1357315.702 1211205.198 823361.7529 1563187.382 1371097.715 920953.6169 921500.6365 1421163.073 1065536.699 1679966.943 1461744.192 904411.4774 1123078.412 1385925.169 1231199.893 1337544.379 866445.6308 1161670.471 1603313.936 1460329.808 789959.4883 842250.4435 990345.1023 Dihomo-Gamma-Linolenic acid NA NA NA NA NA NA 111394.1556 108930.6904 129644.1351 110852.4946 142738.187 125208.6837 125544.2988 124539.7242 133130.4929 124271.9651 128843.6982 125434.8219 115019.0437 140486.7452 122698.6014 130404.348 137493.7733 123498.7951 126292.5669 180791.4205 139599.0735 70886.3845 289863.7703 97549.64319 180604.2986 214949.09 84656.63619 254675.9996 132210.5438 233996.7803 98555.63687 460062.8504 238379.3944 180012.2429 123826.8063 101966.7287 363066.4876 159597.5476 82410.96672 46362.27285 180730.1275 199891.0815 71759.84461 93270.29158 85967.41593 222993.9733 126590.524 79698.40139 88318.33665 224823.5168 794436.6737 307841.0187 181376.4958 91775.73479 278432.0762 226803.8352 72057.80353 238745.7281 80651.76382 46148.02416 70791.08131 149508.9354 161153.4117 80188.41306 47205.39612 161242.616 65338.40937 629650.9078 147690.8063 104664.2667 134366.0013 159544.1542 71646.46689 92954.57353 149882.0206 175541.9691 61005.22751 134411.4704 136203.8695 231081.344 160658.9802 119542.7487 122346.2831 200628.3345 271988.0963 195877.2994 165697.0935 87083.7827 101254.4159 138474.5154 54494.7677 109156.263 274879.0571 148805.5342 93034.73186 99513.23756 47833.96628 217947.2124 212300.0979 37141.01068 133583.329 119873.7351 187077.0782 106350.4974 65735.11884 148900.8911 100896.5429 245948.65 67137.75032 60314.63204 99418.40418 220442.6792 502946.5398 189704.5217 226159.255 32498.13376 90812.56944 62673.43688 85515.39999 81596.5811 190510.3602 86400.43514 197218.6683 65571.76776 26446.34435 51548.95829 57401.18047 197170.1598 102313.4384 46994.26751 162496.3174 464792.0567 152820.1692 188251.4125 328177.7344 98655.30712 473258.2568 99925.56129 143336.5726 42591.96499 669788.8438 72248.41124 81972.81543 77255.09436 55608.3677 67629.54338 101543.3227 152197.1606 124236.6618 111630.9942 58774.10882 92161.10256 155132.465 202397.2432 249805.0331 84389.80684 210714.2224 27920.83843 117829.613 142960.4539 52812.87642 145286.6805 128640.0707 57173.45004 75209.91178 89885.34295 88205.23359 157361.3405 203877.7214 53037.43405 112427.9391 108944.2974 172369.8236 102601.5531 69014.89158 94336.1068 174539.2782 184582.4674 127294.9225 110676.293 282418.1188 cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid 44614.9197 52627.81963 49973.37273 41641.33017 65156.91795 45784.89458 2265355.735 2169400.175 2462700.799 2289442.921 2908764.169 2403329.258 2422766.287 2420327.928 2478117.11 2491662.009 2354749.621 2296673.423 2471732.662 2600321.876 2620957.083 2528819.846 2707746.689 2585762.49 2675915.42 5096559.42 3041264.388 1597393.448 2572113.243 3078577.225 1802846.084 8545486.867 2520300.754 6329005.254 3017679.908 2536249.631 1365314.635 3541480.24 2066862.831 4843447.677 3659263.31 1645586.32 3272186.263 2302042.895 2323701.391 943526.5632 3094515.782 5542985.808 1992339.787 1409377.955 2869708.717 2697511.857 3784759.339 2054391.787 2388759.06 5118212.001 4659581.14 2512421.75 3193997.371 1360989.882 5033019.134 7127095.073 2267811.576 9430060.378 1930275.836 624542.6661 1324461.697 3234219.204 4348820.766 1641846.653 724127.7811 1759215.124 1569809.733 2597057.887 1080280.418 2306250.833 3732348.547 2599471.024 1253708.814 2252819.129 2746157.103 2267180.567 1627872.552 3349067.463 5223438.891 2526157.758 1607652.152 2651927.591 2647426.948 4610335.523 7906370.428 3801102.937 4443154.823 1948758.331 2950468.162 2014801.889 947178.5893 3369406.936 2828486.996 1811033.442 1841685.422 2244808.942 691019.6652 4590641.445 6443735.557 1214348.903 3065393.706 1265544.4 2483415.821 3270746.579 2095519.319 5109923.333 1289029.542 2344349.656 1703992.206 1102171.99 2798591.211 2627314.225 3327700.986 2066264.981 4023513.928 822416.9696 2468168.021 2780061.612 3228164.428 1375761.89 2581815.597 954091.7375 2412129.624 1313724.2 580000.9284 1422227.008 1282356.324 6909169.267 4199212.131 1773970.68 3189902.045 3016177.164 1554460.937 1287596.933 1946003.936 3773323.196 4115389.304 1588759.005 3956085.138 733064.7878 8293071.073 1477614.966 2521966.418 3206816.557 1279910.391 1425294.848 3366513.79 2607709.965 2560524.871 2025507.871 885895.8892 1329158.433 4050192.341 2746815.03 4823845.765 2082097.155 5470593.474 921010.3445 3750042.852 3090101.219 1624100.887 4220819.558 5029946.781 1448337.745 2191293.649 3636122.368 2459806.318 6118946.244 4462357.954 1799228.83 3316968.497 4372112.798 3737865.763 4531657.084 1860633.355 2079529.719 5024635.505 4131649.087 1384679.747 2606242.028 2379805.064 LysoPC(22:0) NA NA NA NA NA NA 34502.91915 23623.4632 19114.96239 20274.58193 24059.48491 28026.60897 22299.27366 31153.64704 23045.06502 16428.59002 23772.39556 24876.02964 22017.15393 25849.61126 27073.00845 21533.93184 19310.15605 26086.50218 23883.96488 20332.67989 21362.66342 6687.391908 31597.21522 30055.14023 20705.15157 19860.07481 21534.62033 25044.14361 24409.59108 25947.55169 18498.52929 39440.89384 22470.22162 25253.89106 20423.41533 25169.63065 33536.272 18381.08473 15559.71623 11923.94744 38597.09995 35449.20696 20657.04557 18067.26353 31036.48811 28075.52553 28351.32434 39515.87643 32537.43119 34866.60046 37132.38024 32856.75963 33918.44578 19996.03478 24619.63417 39737.76531 15184.21255 23530.68981 27816.56014 18125.96524 25277.26513 32506.04916 21329.30378 14216.37188 20023.099 38639.1576 25063.70577 187341.7 63926.12584 157902.8175 55139.58699 34677.19835 13133.53391 24980.88776 9308.810022 23245.70407 10129.54536 27211.83143 26752.88535 35793.32843 19031.09831 41584.89268 7972.55205 15138.88767 23936.2835 48092.75896 28890.97218 24907.65887 26839.28025 30743.77412 15081.38738 32343.70009 24156.44973 14964.58099 21531.24984 20541.5842 12115.72618 40273.79803 30760.02101 20404.53962 16996.57714 9552.194309 29187.3689 22801.735 16313.79997 36438.12514 26533.74113 32321.22555 27205.40315 18297.72522 31123.89047 29419.43882 48634.41704 39215.8326 13682.95838 15151.43433 27786.2077 21996.86865 29778.99385 12662.62788 43935.89303 18510.49226 25959.96925 14731.54254 12143.91627 23189.53288 22754.01459 37305.44985 23092.46549 13662.49719 19684.35852 30118.63477 37989.29181 14496.24887 24471.5737 36649.12076 30486.20768 17121.37583 40603.9198 22651.18246 30331.98742 43101.28754 25719.78693 18946.04097 11775.70062 7601.975504 19106.41204 18395.99335 20253.00671 25961.56046 31570.0327 17633.96963 42822.35237 24076.03622 12892.45373 9659.641033 15986.44647 28786.34262 27438.01711 50655.9842 7900.150771 36955.83511 17497.66863 19303.02486 20799.8896 27791.39473 18876.47566 26269.10427 31924.05568 25033.6818 32148.86614 14053.51215 33475.39119 37638.26842 17078.64122 16574.88377 19245.85678 22138.42916 26051.57686 18759.45932 49294.49852 Adrenic Acid NA NA NA NA NA NA 128226.6814 122876.1796 152036.1145 130266.6021 153365.7538 130087.894 143493.4444 136702.2741 142661.7381 147487.5119 131503.6411 128310.4365 126565.8347 140119.7781 141471.0925 133524.9503 151396.2066 137160.8483 141943.189 197751.1062 147472.7461 70255.43332 211260.5485 89716.6135 95556.90044 318312.4869 89583.67961 429835.4144 162179.88 350259.8169 102623.953 488583.0869 195724.6189 218265.4283 166682.5392 113635.9774 575948.6186 248777.877 86165.53619 53516.71518 243219.5288 287239.9984 82723.18739 87036.83614 92656.12703 298815.1857 185441.0372 75104.184 97081.44522 244528.8706 624957.5475 175394.0917 221597.6576 70819.14218 264803.8683 254357.5089 62788.49558 294149.5318 88810.81268 38211.32906 98367.57409 211856.5874 241983.9226 96948.05715 74763.38205 346823.7939 84866.1114 418145.2155 52618.95347 89533.63967 124395.7911 230130.683 68358.19344 74189.0942 147718.9047 261442.4453 92514.00914 243433.2919 185107.4389 328122.7893 185336.9353 113023.117 183643.632 351250.3588 470798.1334 238124.4581 211475.8954 93885.93467 109123.3533 161884.8272 47576.36105 106259.6675 440428.4344 165738.1855 139354.7898 125419.0917 48395.96391 218631.7399 278542.4204 31215.60949 126249.3413 102462.0199 171182.5524 143054.4473 80739.80957 176327.2978 67035.87166 287502.36 47099.10032 47849.93193 102572.4364 250081.617 255385.8171 97224.74522 186747.453 20059.83289 90985.29306 46937.3535 122143.0184 105795.9521 390491.7707 70370.83394 252416.8016 79079.21348 23724.08809 57610.30219 67156.08681 254693.966 150616.3458 56290.11105 121060.7633 421363.2679 93494.22094 156967.4811 379406.703 116422.7618 501216.6039 97607.58424 159446.2738 33083.89196 480283.4655 80741.50755 170467.9893 92799.91922 82421.82697 86420.18733 110246.5469 236295.5695 139595.2955 146345.6118 55073.62654 78513.87875 158865.6631 196719.5648 563727.3648 124001.1843 410104.3647 19368.47033 154359.9501 144163.3006 66871.19587 201238.081 186283.1561 90538.69706 178260.7279 159403.9007 69440.02209 146017.7216 224158.7444 49125.2615 98167.9407 137645.8477 342103.1428 136878.1317 91709.2941 122173.7236 269819.5998 255714.8343 69246.05381 83221.79381 221377.7332 Heptadecanoic acid 14848.75463 3614.562871 4560.76296 10167.7868 4451.138893 2446.47259 90020.05809 84949.56434 91968.36275 85588.22798 106481.0634 98793.98227 99625.26322 92345.58526 92116.89081 107188.8735 96357.96065 93199.03897 105846.1473 104896.334 105729.718 111457.4202 118274.063 106245.1149 108533.8179 71883.61496 93190.31975 114662.8755 101351.8856 42266.67217 143623.4921 114208.2911 175705.8916 146060.2924 39435.09326 121437.4193 151974.9686 114252.1425 134554.6045 88634.98659 36614.10453 167896.561 102140.9926 92242.76549 35157.63384 122175.7938 121261.5456 80914.63878 120036.0078 179998.0529 40485.43546 108726.7968 55221.87449 212639.355 130270.4605 56425.51247 124487.2214 176964.5777 120622.0054 102025.2361 84005.5944 92697.46395 59937.70056 81142.70964 24817.30774 100278.2539 72622.43612 97832.91052 58060.60775 123146.3227 98288.81518 82814.10207 19280.06464 63522.24918 52874.0291 35140.67901 52118.49567 111386.9858 79032.44958 40165.13687 155761.4681 121499.49 88755.1994 108630.1551 72131.9768 103197.118 122790.6828 38734.11518 154970.0874 138359.3698 119407.6163 133069.4648 56015.43924 132680.896 45560.22211 117030.4578 108212.574 55946.34189 119041.225 124032.9221 89460.86162 29989.32042 106532.8819 133183.9361 98048.6066 67259.69258 67627.91442 167757.3639 150132.0961 89151.43598 127109.1958 113851.4557 156796.3862 119964.055 24621.13608 79873.03186 47878.8929 156583.0727 106474.5667 124505.9219 68760.77266 88889.45428 101120.8488 38659.9989 38313.0772 108828.0704 65180.43604 103118.4499 122799.0782 16726.77392 92294.57298 20643.00672 71090.15138 96821.38424 105596.4747 103636.7102 41947.02994 112525.2719 146789.9374 182281.0031 136751.2631 85714.13345 71320.82913 136325.9378 49926.94159 171769.0249 117444.8095 127006.0139 136648.7224 43989.42722 118447.8261 114865.6667 40237.17154 73165.22149 36566.92055 82779.05009 124428.3024 94459.35108 67904.61748 87809.90464 104816.3102 90418.73818 49344.59662 73890.19011 77413.36543 65163.87464 147506.4561 95335.41157 93311.54983 141833.542 117970.6503 94923.38328 145522.835 75272.18575 89960.49267 148554.4901 75668.29812 54212.18419 102247.2549 61635.42555 118579.6811 146334.0309 90640.23831 85676.2524 120035.1335 35311.53141 76618.37242 Hexadecanol 18686.00763 3996.650154 2690.784516 15407.74694 NA NA 88238.29312 85735.7183 89168.55611 88530.73372 99611.17602 98029.38006 97400.69064 91042.54241 96944.67283 97934.48596 93371.85657 90132.20517 98968.92288 104560.7385 103494.3209 105874.8992 112912.3463 105867.2308 107266.7123 68724.47658 92199.52216 108456.6553 100257.9139 42943.94703 140810.6711 113215.7926 171242.3219 138705.9545 37864.8491 118108.0453 147287.5669 100904.783 132820.3477 90465.5529 38241.16307 169806.6434 97190.74889 88384.49988 33776.12698 115554.7251 120502.577 80432.66267 112943.334 172950.3515 38300.26485 108694.6177 51038.72104 214696.9003 134001.5928 57548.00571 123138.39 166935.7144 116802.1284 100890.2114 78956.50154 94217.43349 57576.0009 83161.16243 24673.05924 96715.29966 67997.2963 89437.62683 57749.92066 116446.1008 99185.0428 76581.61853 17166.38313 63440.32299 48179.17223 32696.1766 54381.06954 117255.0616 78010.22185 33834.85093 139531.595 121597.8421 84274.01125 104912.2306 72224.49888 95430.38416 109774.7725 37303.4519 149940.296 134679.1993 115554.1691 119467.7171 52758.1396 128180.6321 41955.46669 103079.8916 109780.6422 58582.53941 113404.4521 115674.4988 83256.94746 29943.26032 99646.17543 135887.2415 91999.3851 62182.18742 63602.35345 161651.6262 145452.1743 83913.64864 117883.4519 111331.2203 150473.0537 109495.3069 24701.63465 75815.85029 45091.75492 148456.96 110821.4156 120001.9865 65117.81758 85391.134 102311.3549 34772.55586 36483.54358 104878.4269 62878.07804 98920.9696 121782.2548 17294.41014 86565.77262 15900.16298 65972.84508 100372.0319 100675.8341 100404.4193 41053.45591 111644.9033 142386.9133 177918.7858 127533.2343 81028.49795 65933.51196 127239.4864 56269.57093 174029.5778 117812.4286 130647.2188 127860.8337 44590.42671 105428.4707 110688.3195 40420.81673 64454.47853 39630.96686 81662.71026 117165.8202 96446.12641 59100.69107 84529.78581 96296.37343 87763.95507 50744.76313 66917.18485 73131.33166 62282.63561 139302.4446 94849.4359 85946.38224 137203.1867 113994.2049 88361.79808 142370.3217 70845.44831 83365.19907 142760.7593 78352.79614 54525.7261 104063.4915 56786.39106 117716.4829 141448.7744 87015.05775 85463.02562 111042.5387 30727.35842 72552.90575 Stearic acid 454831.6974 623996.2025 312334.1099 308971.4758 549728.1362 240050.3158 1155642.237 1096936.429 1105038.969 970290.0094 1196301.564 1113509.477 1145224.032 1115941.542 1172607.61 1142876.79 1137822.259 1165012.431 1145967.786 1218562.662 1254457.045 1208286.405 1224698.102 1164559.126 1218344.461 1304039.942 1186455.174 774853.5508 1199279.923 932758.6178 935782.1402 1552169.206 968720.6643 1690068.03 1244257.766 1428579.958 831558.6777 1195458.856 1020712.392 1311873.408 957419.6521 786029.3932 1161221.84 1000425.911 775625.9708 673975.7039 1017846.251 1435511.517 884807.7395 868928.7827 1137254.096 1590367.272 1244229.051 1090857.927 1584040.86 1344003.255 1785945.946 1050021.58 1442609.048 669679.4574 1555559.896 1426721.527 569760.8194 1506911.787 717994.1934 541356.1005 873467.5677 1362936.491 1063317.165 955705.3926 754091.8307 943374.0571 717629.0703 1368630.889 472717.5555 967634.1357 1431930.619 2171831.695 602637.8369 979825.9169 451698.9633 1483379.247 758197.4857 1753729.677 1484158.138 1341054.521 876715.9311 972529.4079 1249136.954 1473445.916 1806648.762 1237070.71 1258816.112 887120.0611 975084.3351 1065313.149 768973.9141 1332919.631 1528168.862 1067987.642 1176729.885 812951.2546 662144.7477 1706964.664 1662170.076 373346.865 1188845.944 854511.2236 1489123.067 1128389.185 838982.4037 983760.4666 1164427.904 989884.6305 750733.0887 362176.933 1135628.899 1352673.159 1975310.073 704662.2785 948885.0692 674987.1114 1010887.665 848503.077 995093.6075 809857.8703 1223330.16 550596.8511 1622875.055 711480.5715 655996.358 749042.4911 956521.9885 1642175.112 1433182.456 739262.6399 1277678.132 1213731.39 1027894.224 758897.2152 1146956.912 1519506.836 1724271.249 755379.5287 1131492.739 874178.7864 1730185.313 1597452.699 1889721.902 1185651.956 684935.618 849116.6043 1099968.851 1287706.729 1132800.217 1418160.91 750136.3976 845663.7683 1148264.219 1160953.398 1727182.082 656635.4144 1251950.684 370736.8974 1561460.85 1241956.548 818121.3769 1636711.43 1413746.145 830239.1734 913405.665 1166896.4 896459.3438 1272625.846 1400054.827 990624.1033 1053867.252 983967.6771 1207100.712 1038060.232 677627.2953 1048975.055 1349524.131 1354467.395 718553.1717 859764.305 1222081.82 LysoPC(24:0) NA NA NA NA NA NA 29274.21999 21710.41671 32559.74748 24605.45456 21976.56069 32850.32925 24250.34678 27282.16208 47994.28161 18689.88887 20043.51994 27252.48804 35237.42465 43254.76332 26118.36856 29517.14207 40455.21035 27146.89944 26174.79022 29707.86375 30236.12306 NA 29220.77411 70634.9698 54926.13825 30758.39331 NA 25535.65374 40705.58445 15351.56652 NA 40221.18414 43859.13784 37518.35108 42763.7703 NA 27844.07524 24238.6649 27025.09078 NA 18520.56949 60581.06416 NA NA 21003.20938 24228.62646 41278.75346 NA 15706.57938 34963.91718 NA NA 33971.80313 NA 22948.56276 25019.32343 NA 29144.71488 36200.59589 NA 27536.5061 25471.94319 17682.18294 NA NA NA 24697.14292 155273.3329 68435.03702 210790.2958 43862.03002 25557.28408 NA 23254.3959 NA 24448.16689 NA 36535.87043 55656.09559 31329.50014 8777.191453 57593.60616 NA 28818.10609 16102.99239 39572.70158 58471.48191 61520.65132 42374.28284 28517.79826 NA 30775.09507 25970.98199 NA 35526.88799 41432.54594 NA 36256.8532 28663.23177 NA 18014.9857 NA 14926.62023 41767.15402 NA 72277.08528 NA 40000.15898 43317.44986 NA 31231.33914 32400.71289 29111.62021 NA 18935.4234 NA 12788.19268 12165.71667 39509.35884 12797.40259 23022.57899 NA 28739.12055 25271.88567 NA 22304.63699 18979.24935 49891.90978 25939.34211 15229.86687 42396.47912 22745.44932 NA 46154.63081 37278.36566 32921.51683 47005.21527 25210.05 42550.20308 41191.93331 34612.96233 42096.99651 37941.20316 22523.30518 NA NA 31757.05643 32062.29557 31502.30963 56478.53114 21032.14709 21430.45821 59802.07974 37758.84368 21859.88718 NA 34460.53116 16700.94056 41569.59239 46339.09751 28808.55415 42914.47296 40339.91721 21796.35146 31538.25051 35800.9538 46466.82221 47171.97251 36436.40373 NA 20847.60122 32926.96647 35120.3983 41373.82245 NA NA 37649.18783 23314.11077 NA 34646.37027 19834.9427 Alpha-Tocotrienol NA NA NA NA NA NA NA NA NA NA 13378.45894 12323.79288 NA NA NA NA NA NA 16141.8963 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 8246.358747 NA 23402.16666 NA NA NA NA NA 53590.12702 NA NA 100107.4333 NA NA NA NA NA NA 59107.33453 NA NA NA 9952.111094 42263.45966 NA NA NA 12015.97968 NA NA NA NA NA NA 30949.55986 NA NA NA NA NA NA NA NA NA NA NA NA NA 107496.9734 NA NA NA 11545.90104 NA NA NA NA NA NA NA 116847.6418 NA 44665.96308 NA NA NA NA NA NA NA NA NA 5937.499327 NA 51369.04868 143034.9872 NA 3297.535694 NA 66318.48956 NA NA NA NA 7726.279209 54498.4228 NA NA NA 72354.0919 NA 23894.75526 NA NA NA NA 9358.795576 28915.91999 NA NA NA NA NA NA 127010.1327 40891.96562 NA NA NA NA NA NA 122911.5856 21504.69499 NA NA NA NA NA NA NA NA 152523.0342 NA 65435.72263 NA NA NA NA NA NA 49528.00998 73339.53851 166218.2339 NA 45952.56471 NA NA 12427.71878 NA 35949.23486 NA NA 54211.16068 C16 Sphingomyelin (d18:1/16:0) 30467.7655 16038.96446 8608.731509 33341.74126 16756.07361 13742.00073 9949785.972 9569725.294 7405776.867 6857387.307 7396110.399 8284721.27 7781616.348 7943922.106 8222120.722 7325200.586 7121551.533 9046146.489 9322172.196 9559788.995 9866510.723 9809741.784 8884423.046 9505961.886 9434432.809 7216951.633 6125314.803 9379520.099 8129559.774 6764184.506 10060727.69 8886338.335 9991338.574 5686185.787 7757688.273 6080985.652 8070402.594 6379840.375 6442106.946 5644240.963 6947822.165 8409407.751 6386405.646 7379475.109 6473973.477 7468888.098 6321468.185 5902447.879 7054089.305 8855354.991 7186466.909 7383764.891 6410815.852 9149432.765 8724975.774 4995379.135 5934162.352 6401111.266 7139571.634 6509554.97 5259864.362 6194574.175 8225938.954 5367908.91 5236067.634 7340078.922 6955915.393 6621389.832 6240033.877 8051274.614 7745234.15 6273844.394 5967765.855 6798834.016 7235575.972 4900984.906 6146378.846 7645455.972 7553855.175 5278097.63 6478459.439 6619907.769 7127242.622 5967312.722 5363386.01 6020740.606 6720670.715 4314128.02 8164348.933 7197781.315 6200252.016 7231103.906 5272425.074 8244394.548 4718994.84 6161045.152 6852423.302 7518885.619 6842943.698 5963654.777 6741772.228 7001389.999 7753460.866 6464918.618 6453321.326 6050530.907 4817718.75 6995514.838 5831653.098 6489016.982 6338510.589 5184106.541 8682640.727 7128715.38 6166164.98 5858096.342 5469952.99 5636856.231 4619884.403 6943830.822 4538840.625 10069033.8 8493126.473 6216917.643 7870661.287 9965733.373 7814109.78 8446521.968 7870792.421 7112342.512 10009613.34 6880698.741 8082035.666 5612379.861 8750710.287 10173255.59 7010376.593 7410543.487 8525694.876 8202617.983 5725504.903 6597715.357 6579968.665 8909498.028 6228886.555 9117551.508 2063719.022 7661030.123 8773125.307 7762086.352 8353286.56 8257115.438 7034473.166 6745970.867 6310846.612 7587574.65 9076053.875 8272916.533 6294945.19 7744654.696 9403782.652 11503168.99 9848057.421 9038272.479 5633973.146 6933085.034 9428436.604 8294645.674 7734491.865 8843433.954 9673005.496 7261062.8 10741462.83 7509731.359 7535212.348 11502664.61 10290334.34 6721451.282 9106576.697 6661170.198 9042025.598 8917424.265 6648433.062 8171991.228 8848254.561 6571606.228 7920037.872 Arachidic acid 61024.05515 19919.43332 10826.03597 43404.09046 18105.20413 7191.303983 24547.34843 23026.30837 28106.14599 26779.99095 29665.16064 29432.09321 30313.33537 31916.52495 28241.718 32105.30917 32187.81173 24684.89447 30383.66739 33714.30467 34156.69912 29450.26393 33577.42796 35437.86402 34076.52956 16634.83971 20878.59924 58145.40754 17104.91098 10747.94084 56536.60809 20777.35303 59595.0205 31445.26982 11665.39138 22573.3561 58691.481 17360.17068 58392.09435 19122.22295 7950.067231 60740.52199 20646.68995 14245.4765 9824.793363 56734.57793 16176.61542 20163.78213 53926.19398 70119.21932 12730.10148 20373.12915 16197.54171 74025.76547 27878.56086 14645.49492 29017.69705 71497.65015 20431.27657 47251.55694 13294.5654 17471.33871 32327.85896 19617.73089 9554.61998 53916.35535 14008.96391 23086.5324 9827.546485 67195.68795 55574.16055 19763.22861 9018.844113 51135.52099 36403.12318 31099.78082 20014.59421 50415.7888 35740.20937 11774.34416 39713.43659 32490.40424 51837.74371 34103.31561 15662.96358 23018.61022 68311.11002 15823.86952 70045.85303 25052.92415 20782.21344 21225.28353 11590.47597 64216.52603 10437.02608 13776.14301 60071.12901 19792.17569 29400.96667 81075.63056 21457.22328 6761.037885 62897.5103 36819.50898 19988.59904 29344.64775 14100.68365 73425.6436 28464.66177 17836.06177 72251.81253 25525.08439 68924.06088 23075.25096 8303.020795 31803.59833 13039.42426 31387.2679 20105.76832 39447.6381 8617.046386 39767.76735 25398.30966 15885.97372 11856.01385 57705.76581 21641.46722 30885.28741 27384.88423 6195.990664 38226.74274 7921.030455 12686.70484 22875.37227 22509.077 41648.76563 18866.34455 20261.82341 60415.47544 44718.80775 28577.50827 40487.35066 23807.93997 52521.57874 12851.70747 57993.57425 28870.82878 29965.58844 41515.48569 16184.06913 45952.09104 58702.56287 9032.078968 17006.40145 12675.90272 26889.46268 59502.55604 58627.32878 11184.51999 17305.97599 33029.22156 35382.99341 17217.53979 17655.48934 13212.6155 13938.10735 69699.056 27375.79797 17759.99049 58959.658 12182.42017 11816.75283 63688.11146 14126.35376 25255.11127 56888.06737 13201.06053 11809.45495 18596.14968 11974.08586 50530.1316 71887.35652 12846.84993 14956.06029 59323.57459 11085.77537 17791.55138 LysoPC(26:0) NA NA NA NA NA NA 18480.14187 18680.97057 14331.09267 16080.1087 14085.77915 16061.67457 20299.72347 17719.09799 23538.38035 21535.91733 12691.89154 16576.52322 17633.39612 15242.76477 20333.3843 20785.75924 24191.96964 17336.56645 15788.17312 13393.08524 26116.08919 21332.2109 27592.34519 15023.18783 35040.96828 12263.84156 19078.05697 25579.55143 12291.65804 25258.81897 28657.09949 25257.63106 40149.08813 8364.941496 9198.407846 26103.44507 29490.32402 15375.06094 10682.99966 19166.11671 28724.26085 16650.58868 25788.98137 34453.60875 11412.02442 22429.81919 13282.71487 16722.58892 25172.3475 8253.373426 24511.4182 27802.6775 23960.04058 22457.53756 10545.36398 18469.46004 20259.49765 9974.395315 8170.185015 26999.68765 15593.59556 22487.68086 10411.07193 19427.35809 17360.89254 36137.03095 11982.30168 33922.52582 27449.98095 16204.8015 16654.12229 18798.70349 21065.18279 11994.02485 14049.18515 19134.10835 21512.73066 18560.04582 14424.78188 15488.8746 14521.2902 12340.79719 24137.58842 17191.07311 9430.82328 28611.28107 14339.57628 37131.00727 13227.98901 20146.15043 22257.5889 10900.03933 27337.60083 18947.65547 20814.84693 11111.53204 18925.94931 27354.12091 9410.223583 22908.39596 9239.731287 16426.51185 31787.14745 18594.46844 22014.1675 13839.49901 24162.37806 26504.46364 11614.48556 17185.26205 12399.73068 22873.67014 31550.0326 30935.34794 7289.55329 18864.91848 22764.45382 6996.289875 11391.84082 20541.70851 25583.21045 21485.49477 22579.474 14956.67111 21335.88569 9764.502834 24158.63454 11204.7508 13402.56035 17987.44202 9210.307172 18852.65922 34761.133 32245.37078 21772.41265 11187.4975 16000.89218 19876.79671 12471.65055 34349.81648 8867.599568 26780.03378 24623.67633 13321.93045 19948.50324 22692.6716 11881.25975 15495.91575 9053.163065 28922.23657 15778.09858 25462.10598 12564.89984 17442.44155 15709.84118 16042.29125 15783.17174 17979.61461 12823.35822 18217.2023 28373.56144 22890.39031 11573.03171 13904.45383 19765.62133 12328.11402 21239.87917 11844.69167 20990.9591 38293.80327 34817.78931 12629.31521 19355.59017 12913.49344 17591.27771 19143.62255 13716.9191 14880.15004 25890.10649 11119.48343 16351.51756 Erucic acid 4889.570462 52919.92788 NA NA 57713.81392 NA 33876.24162 32801.67681 37909.90743 33181.73222 42855.07043 43541.46992 40791.86544 45828.59799 43654.7503 38655.41439 41642.70267 37192.69951 37046.14048 42471.81131 42473.47805 44124.75488 45405.28299 45305.63899 47142.7213 12180.19303 86856.41557 9027.808854 159698.0334 7770.862174 14138.5205 18316.56984 11432.50923 123778.1351 8730.363003 167858.0341 11767.68549 88833.1953 12213.48962 27514.93547 8287.596162 13364.86745 81520.98708 84389.04023 7008.509459 9495.280661 54013.64583 16920.29717 12403.26929 12573.68183 15733.37365 80762.95348 10746.16191 12123.91395 95750.8834 12343.74105 157699.8845 11164.25326 128614.1785 10313.85794 10991.24503 112599.3807 10614.25446 15831.53598 9753.039926 14575.8178 58846.58792 117833.958 16513.59644 11456.06062 9204.399896 112961.4687 7322.828436 113312.0395 18177.49617 36136.21988 13611.66 70288.20319 7746.944721 9261.671947 64712.22134 183842.2933 11209.78515 157899.6029 17004.28322 183434.5728 20001.05635 8800.00237 13446.92283 101797.7855 18230.29603 127683.4447 14957.24554 16532.0223 11600.2863 180500.2034 10884.83814 11348.95866 113051.6997 16280.79412 158234.6098 9700.393253 12803.33824 117174.0139 15025.04128 7248.115268 8256.120127 16617.45051 123075.3421 72286.33916 17683.52074 26710.8803 18254.74574 124526.7539 7122.090553 11002.90912 11862.99687 208447.6286 136246.2079 16256.15571 20234.52629 17372.52131 105216.5638 10639.01729 9738.140714 11571.1789 128873.6388 11875.78264 77765.07941 6463.216176 20728.55462 23389.31367 117894.7961 15765.18266 86325.60693 7954.46786 10074.33405 125220.5215 18157.07602 14480.50176 151237.8069 34365.52441 107110.7868 23900.54521 14062.17589 14346.3699 20530.99376 162066.7772 152313.7145 14318.15607 10952.56457 10158.09832 14403.38448 113822.2421 9236.984 62970.69595 15726.01891 11343.84903 6349.216964 111102.832 256544.6958 54077.89074 22829.16943 7698.733619 30236.03891 96592.93526 15269.28958 134097.3214 13326.77205 59028.76826 117985.7277 10890.70196 16581.18006 19748.14811 160026.9945 20453.66189 84683.42022 13758.81532 119377.5107 9512.499621 8841.360832 12299.12467 11474.11662 99716.18041 15677.36352 10057.02755 130376.3846 18:1-18:1 SM NA NA NA 5421.887757 2021.536241 NA 1132000.488 1112351.866 924398.954 812122.6024 895112.1306 1080346.129 1062215.22 1039256.095 1011886.809 923423.298 955387.4754 1116868.438 1191701.113 1229123.293 1237838.005 1250329.58 1157593.941 1208786.278 1226467.314 1804821.459 1473569.041 1852286.092 958271.7253 714951.9497 1327360.185 1624546.171 1530645.304 1177286.476 928753.8498 889512.3192 1176706.535 1087577.288 1242952.181 897480.3586 1052419.414 1150595.669 1177623.435 1013391.076 1081735.973 1076586.707 1434903.448 1114302.102 1279843.421 1685245.805 924171.4055 1284341.913 767459.9291 1163361.68 1274054.576 587078.0211 964849.8512 1189069.353 922873.3614 1177697.477 866016.5136 727429.8925 1139418.907 721687.2311 774614.5991 1209605.945 831502.1466 1481123.222 1174136.655 1719916.086 1524774.246 1668227.415 1454276.897 335887.1253 691688.1996 211471.6995 555011.3774 613670.1203 716027.7744 755670.6648 1258484.225 974446.994 857383.8999 743985.6858 683063.8112 677123.6428 845705.9119 405252.756 2125435.029 1630116.196 1603271.99 830185.9325 537389.6943 1089899.852 529499.7829 851529.7766 1187504.049 886824.9484 879728.7848 946717.9964 1511722.771 1204531.053 1713228.661 1348351.047 920672.0036 1286365.816 391650.4454 740806.0868 729165.5575 895703.4115 1212710.318 501017.8004 1231720.372 937539.1552 672188.2726 770233.2818 526010.9251 710548.8951 720341.6583 881457.1434 265840.5105 904026.2501 755753.9217 588826.9975 1038242.859 1569733.321 1160226.254 909184.0944 700442.7522 955512.0626 1238042.979 599524.7421 1112579.985 690349.7405 945495.3699 1209695.66 950398.2617 1019465.111 1281753.177 962412.4492 670233.5669 938942.2884 684469.9819 884110.5685 640430.7466 1066874.75 141240.9392 893018.1838 1416357.581 1173380.951 1384845.761 1244946.755 878139.7656 1004833.944 811430.5647 912083.4457 1067059.437 1110800.823 591410.6734 857909.9943 2242825.217 2264905.727 2379070.903 1087957.524 605670.4485 801270.0806 1255828.477 1232136.342 1146016.739 1259223.164 1197594.027 1111104.794 1295054.092 748374.5993 968836.0647 2089199.458 2012333.655 1258774.553 1003512.152 754874.5924 986125.9536 1435778.74 973319.9381 1125376.088 931466.6246 747344.7092 879405.0102 18:2 (Cis) PC (1,2-dilinoleoyl-sn-glycero-3-phosphocholine_DLPC) NA NA NA NA NA 4009.883738 2265469.205 2210458.72 2377156.74 2394875.792 2500416.807 2512509.345 1900634.027 2360957.476 2602236.822 2670336.472 2638904.85 2361999.814 2473743.047 2559795.886 2466777.373 2600297.821 2582294.098 2573810.242 2633057.246 1898506.845 1346789.706 713663.4691 2247556.259 4147793.839 1831939.231 1881694.026 512837.2924 1504910.428 4092535.362 2719288.753 1484011.679 1745753.085 991463.5016 2743045.088 2726617.436 861236.64 1720331.519 2179777.763 2858265.579 1161996.09 986084.1392 2224887.446 891662.6718 1649966.822 4728385.64 3337942.967 3891219.46 1645855.511 1788707.471 4121936.315 2408374.807 1342528.215 2033969.923 1167295.763 3442582.665 3143065.757 1826391.938 3825756.698 3630761.141 1482402.985 2394484.119 1709111.349 1934015.348 1065575.946 820332.1992 1848571.141 2879412.89 3553998.151 1525373.267 6294945.492 5373420.027 3699126.972 2577597.945 4011654.705 1748162.647 2837865.143 1627082.515 2634909.445 3220739.314 2581172.89 1621046.569 3457059.326 1026521.336 1612583.448 2535739.125 2111166.467 2687302.089 1541921.884 4506930.696 3189207.331 1608155.702 4106440.142 3197302.341 2143600.238 2254362.396 2798269.12 988062.5753 1974097.382 3203492.238 702493.8633 3878252.175 1632619.653 2299351.498 2593457.173 2057117.707 3526229.412 1347414.409 2550712.821 3800845.207 1438020.583 4930267.073 2840668.255 2309894.786 1520003.605 3512742.185 1559605.169 2879564.727 3579355.225 3338529.095 1438517.06 2535012.914 1111585.21 1992764.447 2857546.062 1732429.421 3289184.655 2689607.937 3352969.291 2207173.557 1304977.21 3540720.78 2115841.755 1144474.018 2407234.789 3373322.893 3142235.027 2642289.029 1262908.531 2881159.602 1276632.814 4954279.426 2040806.6 1930725.541 2847087.31 1137475.417 1331144.887 2439326.706 2010105.788 2640751.985 1961108.963 1242953.916 1644336.558 3658943.26 2279796.204 2068624.574 908944.6174 2595615.8 816532.6262 3688442.218 3047836.991 1647209.751 2570553.024 3339880.045 990836.2097 1507464.327 2533356.912 1938668.828 4786958.39 3189542.29 994316.0781 1639758.299 3182646.595 2630744.103 3736562.892 1339822.307 1308289.215 2183786.347 1982911.842 1727589.655 4793903.665 2905095.356 Cholesterol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4910.391274 NA NA NA NA NA 7994.603433 NA 8135.282144 NA NA NA NA 8302.114375 NA 9125.569698 NA 8519.471973 NA NA NA NA 16344.42262 9524.480508 NA NA 17067.71046 3878.898883 NA 10103.40217 NA 8999.427115 1687.135208 NA 9321.476846 1139.194439 7490.567473 NA 4824.908829 NA 3848.15257 13594.71387 NA 12060.74764 NA NA NA 4943.17141 NA NA 7364.843108 7639.969026 6688.258928 19245.23865 NA NA 13767.21892 9026.718603 NA NA NA 7906.245056 NA 7526.657426 NA 16090.85947 NA 3070.626624 NA 6014.80112 NA 8730.938156 2059.372297 NA NA 6832.17141 NA NA 9652.328255 NA 3940.020258 NA NA 11824.55244 NA NA NA NA 17360.27284 7970.24341 NA NA NA 15289.43051 NA NA NA 10892.08555 23531.71988 NA NA NA 7653.876529 NA NA NA NA NA 13917.27451 NA NA NA 7577.661992 NA 6572.369867 NA NA 9324.385657 NA NA 7234.78258 5146.987141 6191.905841 NA NA NA 5727.987373 10090.48863 8434.406849 NA NA NA NA NA 3733.221267 11675.14525 NA NA NA NA 4161.45854 NA NA NA 5617.860878 14257.66178 NA 8114.544807 4900.182122 NA NA NA NA NA 7165.601779 7465.746458 4159.510694 2584.16804 12654.84999 4866.283233 NA NA NA 5493.362772 NA 2720.461906 10068.92075 18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine) NA NA NA NA NA NA 66779.41456 66867.26166 75423.64849 62430.77518 63930.14879 74800.50586 69276.74078 92417.86157 69548.88319 60936.45067 73994.87287 96493.26451 74688.03755 62181.75627 83610.99227 88138.20731 110472.6942 98814.57568 104773.5405 24755.82303 230652.902 245244.6181 72556.55893 67894.35029 47182.19495 39439.19729 31555.9654 182191.9689 51566.04704 153497.9778 71132.11158 41752.05164 NA 60217.45772 38403.6219 36356.02055 55541.02535 182174.0667 52253.68323 58933.62045 51744.3 NA 79227.53667 80264.6653 106855.0479 396344.5852 77539.40846 56759.46232 44147.56702 108560.7051 54954.80976 NA 255035.6826 147284.159 55211.9335 108590.5964 60553.8606 102637.5089 185000.9009 182267.0437 323771.7946 100113.9138 27044.4781 90725.86826 NA 62466.77929 79211.97988 93782.21835 NA 308619.7134 106613.3294 105860.9792 54445.15051 140408.2022 125780.1651 446718.2713 159154.4124 434687.9904 61619.12492 262521.5221 91672.81767 279266.3929 125203.1267 220265.4819 80842.4704 238010.1434 67815.31846 142352.0274 106991.7021 179816.7598 86180.73787 96861.94843 375892.4964 220105.9168 113042.4159 36471.8997 59067.75848 87846.65907 70858.57592 19353.40945 53937.74927 94471.79272 128484.9853 160443.1826 133717.6814 54048.17123 44425.75521 101647.484 135002.7398 121619.3743 130884.3066 524722.0027 NA 19674.6059 86428.96662 123150.0964 225331.8145 85366.82916 44099.42469 152991.4419 133856.3697 20891.56478 60384.67404 72704.90921 112896.7549 45619.96967 175801.5739 47846.56419 271153.333 203144.0185 103561.8646 102153.3882 54191.93896 98822.46242 206111.4125 43769.5421 69128.85626 85163.58221 106211.4663 95346.84484 245914.5813 168335.0494 312861.3518 66148.41964 163940.3239 136124.7783 55385.6246 241090.4335 124820.6836 219634.1995 107299.9934 91366.63748 51476.92348 95583.32557 232335.4413 59274.17189 136562.6331 51017.03288 135230.7264 97021.41028 409450.4774 225965.3221 59583.87207 224838.472 337296.1614 87490.25603 59683.53977 89360.158 111996.5737 39163.30611 60585.37689 65592.33558 100087.3996 56818.86448 35911.54748 174867.4749 40171.30605 74983.09575 28931.18634 387423.7183 119053.1681 Sphingomyelin NA NA NA NA NA NA 274317.663 261737.3457 168743.6903 175074.1172 166406.541 171751.31 178598.5753 168749.6167 176537.2646 166008.5614 159386.5253 218606.0295 213789.9087 207414.7501 217438.3963 216958.8253 210618.8063 199245.5559 218777.4986 140518.6472 130615.9261 271783.4271 255046.482 79237.19075 298630.4768 233563.8824 517468.0706 125271.9946 135940.6526 175529.2794 343149.4848 249550.1703 271987.731 88769.87722 118644.0099 405329.8271 211770.5968 155342.6809 140640.1139 268133.7793 247204.3202 61785.54439 180951.3268 409426.94 189732.4329 216673.998 117768.2169 381757.3042 428823.0691 84505.99013 207232.4119 259144.8294 183454.9093 194083.7552 111174.1823 150200.0914 256694.2529 83823.96562 112392.976 221128.4362 180000.5755 142607.9341 211979.624 222786.4259 401086.2396 152529.3474 162124.038 169491.6487 255483.8034 19592.6811 69921.82661 153961.9579 219471.7071 81963.38684 184546.1377 155939.3525 183700.5931 99158.20022 69586.61722 84133.25186 126352.9416 38390.16174 232169.1454 148381.2108 102352.4471 108344.6654 91373.49853 148387.1821 48142.16606 106900.3122 188941.4175 133155.367 124493.561 123153.4227 114451.3835 235214.4246 241071.6566 292229.9553 193206.0855 389591.1952 90495.24061 192975.9263 112204.8233 181784.734 188603.7366 140112.6075 278524.4471 199632.7702 131067.5362 131153.7633 85182.58511 113446.1464 187019.1486 259893.7669 92308.5579 344271.057 182426.6127 186508.4349 165455.6538 383808.5929 180901.9688 272026.3302 186747.9751 99631.70327 300152.8618 203261.1569 157312.4725 108976.6526 244225.0312 299549.8628 86925.49379 205248.2816 382046.4692 333832.6145 185647.6418 152813.3632 129712.6378 367023.9345 119433.9695 343616.8156 16252.188 213200.2963 183547.8379 173872.587 228326.1269 199946.2134 131294.1059 127349.2967 80182.0986 135128.135 269513.539 195198.7206 76073.61614 207388.7932 199457.1059 667539.5985 252455.4935 360452.6053 83154.92053 157875.5596 305341.5696 173665.3749 168127.1458 311866.8057 275188.368 145028.4746 388526.3224 105880.7951 161210.1555 551778.1287 395204.9412 127934.869 212800.1073 122682.1151 392412.4828 288059.1174 156291.874 255862.3184 379521.3585 88923.2669 221574.5384 Thioetheramide-PC NA NA NA NA NA NA 420842.8159 398273.7492 340763.9263 285188.2378 300417.6938 356859.3559 382906.2584 380287.5993 384244.1349 304002.485 316282.9239 424134.843 394242.206 431693.3872 409462.5563 415820.0834 391975.8541 401456.8056 410258.3189 118882.5178 402161.4052 638007.1009 583621.5789 134685.2909 731250.7845 193285.1521 945918.0792 452806.6887 144630.196 530676.3457 707309.3245 602805.2943 674697.4917 113530.3995 114547.7788 837605.2173 594350.5518 416752.0575 117487.8195 520438.1425 666021.9913 132136.1841 576882.5024 677299.6948 134049.5829 510928.317 117975.8699 593097.5675 692631.2169 62776.86255 458835.9362 643273.809 448557.0118 588196.0497 96522.49055 285882.6411 633404.4432 108574.6437 87303.41393 554844.7669 349002.9533 399755.9487 118142.0379 510122.0718 590313.895 502432.3823 150199.6486 387996.7209 737231.4985 70040.65257 143930.1827 403467.1531 559637.3088 94437.85531 591284.1998 420747.0972 494556.8738 411440.2209 140686.5284 341813.8538 553315.7675 112252.1206 603419.6756 453568.5535 125775.7244 471011.5662 122934.0835 620696.0363 93831.0787 385775.839 565886.749 113132.4911 441877.9243 446531.479 473554.7214 155373.7232 734020.3295 614541.83 90100.57357 681627.6839 68165.48152 503628.1167 419258.9378 519997.4146 588187.9764 152908.0598 1027394.739 534227.0776 102316.6688 712335.091 122581.6425 579598.1689 405084.1735 656797.7405 67601.24593 607000.503 349890.1184 73844.14584 101370.6288 794636.7578 395283.144 667185.0619 325439.2347 111115.0917 603098.9442 109132.2167 405788.5776 99785.78259 362715.4089 574439.8704 94681.72237 466438.5851 677576.7958 798230.7529 647370.3243 62688.88406 189571.8188 533568.3035 85024.27623 781012.77 53825.80848 531938.5656 581352.3394 105474.8581 663897.2968 585295.7469 115276.8377 439798.653 124493.3855 413657.2689 616763.5631 560763.9887 109615.8567 451090.5475 564860.2373 992542.4855 258971.6519 814873.1755 82749.35982 313856.5425 537123.4624 328532.3573 128691.1308 616944.3965 577372.6775 125374.8811 738558.4694 124360.8318 416445.1304 1011004.992 797264.29 142656.9599 699856.978 182884.543 951003.9689 680606.5449 151250.8943 379326.1572 524386.7179 80042.67259 283142.8692 Docosahexaenoyl PAF C-16 NA NA NA NA NA NA 52006.50395 53926.93644 53788.49777 53087.25122 50959.70122 59671.39375 57349.23193 44890.61179 59236.45957 49769.50613 56274.91104 59557.99663 50638.69262 58370.02518 54593.51523 56717.132 56952.00398 57931.80648 67092.27369 45500.46757 44305.07771 32713.19469 72666.0474 61949.40235 75758.76481 51287.64359 41991.83641 50933.9628 48595.82049 49694.0697 37083.24794 89636.06363 69121.81258 70770.91896 34641.57877 39842.85565 57359.20022 46036.22456 62406.1687 40384.93419 61847.13986 109117.2549 46575.91051 49848.84592 75321.34421 49831.3934 62433.64917 64245.53707 78447.26509 53871.61837 80596.15269 65985.50724 40683.78627 62124.55676 38764.87317 44941.83468 43229.59818 43618.95562 52348.0424 43309.38277 41292.10714 56173.22227 41625.18093 43688.81828 54282.92553 70214.00253 69293.46204 69557.01927 44025.8358 34536.6319 68198.34608 56129.9619 56988.87774 53571.38452 55550.54069 54132.41813 45626.51721 52385.9471 83069.51954 66270.6189 70842.51324 62297.70786 52898.16092 55216.56117 49906.25341 39108.61953 72012.70319 45103.30716 47305.70509 47874.96787 69648.69756 94681.77447 70539.48749 53665.82755 50940.5931 53185.22944 43256.18226 61482.77794 65216.66842 60581.26128 61724.76744 68514.82033 81224.48498 37156.77024 48962.97261 61374.51324 52464.7483 60698.83408 59574.2472 57998.01559 125047.6871 75564.64112 101137.1547 85378.56249 46712.25026 44622.65884 66221.23469 99194.94123 48946.50442 44711.30144 60944.61548 57707.13379 58589.18522 64810.37207 45702.47202 54958.79592 44503.12554 59918.38487 43488.1548 50279.67604 40171.87713 64326.18842 49123.73718 56338.93502 78725.01035 65564.96733 45144.4168 52522.16376 31918.23322 55259.93399 62620.5296 70342.04327 50678.73884 65167.55998 53233.804 37516.43898 37057.86477 57335.97568 48780.44579 71433.7097 65997.83727 57285.72043 62564.11805 60364.23061 34640.81739 31942.14601 56597.61327 40625.90775 44371.33181 45740.85942 34379.51611 56473.98474 46272.63459 47065.52865 46143.82749 51538.6661 65181.75593 55654.73697 54166.43217 57056.30469 62936.16864 138194.7317 67902.78824 55497.61555 50485.78497 54805.65422 56077.13472 48637.66868 80922.29796 76646.32552 61017.38674 Behenic acid 161917.178 6870.762014 6425.562344 86381.20471 5393.779756 3925.012163 51780.50259 50311.45414 52063.07266 46158.39039 56933.44058 65906.76143 59533.5956 61786.9236 63846.15878 54801.07039 56684.35581 61971.0517 61325.68096 68698.53033 63314.06943 69125.99942 74338.21882 72574.94615 68168.57483 2719.840078 6813.515917 151874.4194 8307.602688 NA 167483.2483 4258.186575 209628.4756 5356.11603 NA 6826.143565 193994.709 9538.535555 164140.9684 6639.381938 NA 188280.5711 10452.34937 5750.496141 1563.98164 173332.6861 14257.08268 2784.651364 131745.4512 188171.791 4823.622711 9857.49769 NA 186878.7129 15720.07896 NA 10756.77458 187054.9618 5161.501169 163119.7282 3536.226677 5605.121938 176140.1021 4407.76383 3406.711998 175280.3671 6586.153703 5058.806337 NA 195204.1773 166188.6043 10044.94268 2945.03161 76686.44502 216089.1921 45232.05167 6696.204373 10025.4372 136128.8535 NA 132781.5617 10685.50548 146803.7698 6719.264594 3386.698474 3661.070013 150472.8977 3637.815741 162524.6801 5083.998349 4426.39863 9064.417634 NA 185642.6986 2906.873337 3933.912285 144617.5721 5901.600809 7782.381907 158791.3359 5050.143763 NA 146848.0459 21208.50636 3473.190567 119141.022 NA 161192.6176 7627.125802 8097.60354 174210.6553 7166.413209 199873.0314 9849.956366 NA 105202.0539 2114.814132 9169.071122 11385.28493 131848.8343 NA 182917.597 14992.33933 4731.292058 NA 168617.0011 8413.018592 148677.7285 7567.224225 NA 153499.0967 NA 3569.491039 3226.848677 5084.672192 177444.4089 3545.782202 8268.847429 181057.4484 119347.625 11037.18082 8262.872636 7017.296102 166766.4314 4923.785965 183430.4015 6376.67583 15432.66833 8650.590515 4395.856378 157110.8326 170215.9328 NA 4999.461227 3505.702124 5771.015615 157690.8841 152985.0374 NA 6383.763145 6253.679383 187773.0892 6276.95152 113857.0632 3966.327843 6475.894521 171029.6185 8396.647483 7475.793429 146101.4104 5652.021437 3550.444966 202857.2227 4277.553449 9026.611613 170972.2255 12079.34061 3991.438491 9383.051092 NA 169858.3405 189597.0349 4611.463708 8488.44878 187403.5741 3245.790772 11306.51242 Eicosapentaenoyl PAF C-16 9884.235584 5457.515772 NA 11448.2217 NA NA 391022.9733 356938.4782 442353.6126 417413.6533 405672.9723 436971.3094 419049.4353 432906.8623 443689.8736 448246.7537 445776.4987 408787.3987 429758.7666 420149.5621 415525.8551 433485.0052 443369.5356 454732.7564 452105.2626 651850.8993 389530.6575 305300.1895 147771.5443 387309.6138 123278.04 676645.2632 172412.8058 377232.8328 637412.7223 311229.7588 208026.4157 166593.1693 112027.8171 330389.0686 968661.2506 318732.1526 526987.5985 406272.5162 569796.7543 267370.7348 392388.216 981474.5362 349883.4594 243788.73 1008731.937 486977.1574 729088.1066 301028.3518 335030.2541 364081.6246 179641.9456 88104.62173 380301.9089 225392.6289 659497.3427 415888.7926 267213.1054 500206.2776 580145.7532 229067.6811 363515.14 537916.7611 734883.0497 361952.6299 205324.6347 440951.6199 641572.4153 150896.7871 66306.24548 297740.6199 613215.2617 381384.2028 280285.1656 628303.2273 224797.5971 409392.9304 300905.6393 441916.5901 749708.9856 233341.8629 146348.0811 365180.8723 371101.1203 556113.8956 947944.079 442828.7499 649858.9132 362600.3766 521096.1675 321600.3613 184526.5489 463136.3531 267001.0485 215066.2261 565627.598 955862.0655 312461.1188 345647.1855 675564.3516 152353.9481 500975.9322 173273.1572 268222.5608 561300.4593 458975.4015 1140299.864 99525.6936 159160.1906 324407.5031 135128.4753 543940.9309 217358.3905 138702.4896 102264.2835 314044.5565 352442.9213 492576.6235 734591.1538 994878.9512 380463.4192 711033.6926 115629.135 192745.5162 726496.9062 469537.4384 956475.1692 619512.3348 760380.4541 557946.0205 367924.712 518183.9313 283685.0732 143227.5117 150091.6688 192253.2708 897165.1914 503819.4371 255202.3578 542286.2792 186971.6684 446749.9274 240907.5882 274432.1135 531320.9106 206996.1453 266661.0664 602094.5802 353016.9497 343643.6355 294068.8617 185314.1121 276933.7025 690649.6109 327633.7311 579002.4167 322268.5145 820847.0702 217748.4016 619796.3135 441431.9874 279479.4215 459928.6075 596022.3203 259169.8205 397535.3954 736781.8039 237074.7302 622731.2893 360064.8262 253873.4607 285936.0032 704533.6759 433273.1409 669964.0777 272578.8208 372027.9382 812593.9411 604289.3898 116697.8462 313532.9486 207959.7653 Nervonic acid NA NA NA NA NA NA 13941.84353 12746.12314 14832.48037 12614.09747 12513.22649 16337.94911 17372.46343 16147.64448 15239.62488 12531.80999 15818.87048 14259.83903 14833.65667 16347.37114 16004.78941 16814.96102 18536.88349 16967.99475 16623.2544 6063.467506 6781.940997 8373.878848 17146.17148 8924.204098 15429.55813 17294.9221 15230.75202 18961.22307 9093.487649 18808.15024 15962.5425 17830.35435 18680.59944 9380.079275 9797.048071 26046.95888 30525.72066 11658.32744 6005.740321 13516.88164 26673.72384 10303.95808 8251.869094 16847.69972 10009.95408 16966.76931 12398.40857 27439.98721 30785.10218 10261.43057 16801.18522 15897.01106 11515.82676 10517.62407 7177.330339 17750.60253 11005.31152 12058.74908 4738.897183 10194.07381 11526.42167 13359.33895 9595.412878 11610.28295 14172.16046 16214.17027 5424.680535 19218.66063 10963.63479 5883.005434 13192.98563 17167.7928 11640.39751 8338.82388 30320.62688 16776.85118 8209.393179 12098.54737 13168.6839 10510.8432 7376.687415 10487.14561 8867.5085 13928.64189 12292.37697 28492.02729 12023.15802 16098.15136 8469.517857 5990.13636 8523.574799 11282.98772 13183.70235 6423.386829 7587.248532 6593.467249 8795.032106 35347.73686 10872.50323 16722.79348 5461.439268 8383.132797 15465.66481 16813.84669 14414.51007 17693.08992 13455.08603 19034.27153 7289.110955 13147.77269 10017.36746 19585.18541 31255.73996 28048.31522 9472.725633 9597.363399 18381.59043 8574.544381 11927.95353 9627.701237 14066.85077 13685.3309 16145.71357 5153.274654 9738.38449 6976.773753 11259.3891 11327.41563 8815.904746 11021.36763 7734.344535 15308.846 19025.79482 17760.93727 19305.40996 16144.7388 12564.79218 11925.82159 8558.40345 16267.69372 10684.50376 18842.41205 18710.28117 10554.24981 10116.52992 9296.403848 10753.00323 9538.908878 6649.543075 13514.19321 12970.89665 9857.264703 7995.959866 11795.43617 23425.39348 15472.74723 21155.71061 18124.11771 10731.71431 18225.74321 11323.73873 20959.24331 10516.31548 10032.58709 12690.73518 11724.83876 25772.8928 12198.74118 25535.08701 24773.69157 25518.0798 12777.42866 19496.64859 7980.773382 16825.8103 12666.21078 10371.58886 15827.43441 18898.4817 7368.587109 22156.665 Arachidonoyl PAF C-16 NA NA NA 18123.04501 8739.172494 NA 628361.136 587651.4515 704946.5549 680103.5281 673445.3635 699254.2833 662767.1794 627915.6859 702903.6056 695581.0367 704747.5832 610771.9805 691056.4128 671485.9774 654073.0964 710708.6666 723165.4087 661130.5727 702574.721 985458.1557 694509.5201 505497.6391 385212.4596 631184.5884 327242.631 863381.114 NA 552021.991 1055144.675 634650.3904 438819.4418 358087.4153 311420.1689 648523.7966 1056301.509 475562.1844 608988.877 663507.3641 840989.5113 481950.7161 522764.0477 1362665.922 616484.2484 493005.0753 1282084.358 660939.6887 1135973.991 602370.0143 665188.8117 702802.7406 466475.5991 328915.7629 596694.6138 471465.8538 852955.2876 767330.769 569696.961 848920.9278 803436.5973 391250.1305 532530.4752 693548.6006 921939.2573 537212.512 419892.3893 526123.9035 743777.2496 360708.5781 275358.9301 550868.009 908426.9445 681706.2699 531834.6533 811888.7277 464903.4107 656682.3349 546520.3364 615935.9345 1010284.813 493077.5082 423109.8813 610189.5735 524272.7783 726587.115 1098105.762 598044.5649 916078.1453 554814.3043 899215.5196 638975.4532 394912.1184 802892.9769 483520.2243 452531.3545 802743.5213 1189640.305 503427.4617 476528.2419 891778.8619 362255.6787 755629.676 396572.1945 479731.6847 772163.7717 665087.7376 1436615.628 329403.0164 395091.4001 591153.8179 363862.3921 867384.8899 472967.4664 296526.24 320205.2709 574064.3089 628740.7557 737350.4778 1171748.065 1022016.495 501245.9043 779832.4648 370654.5108 478842.8325 1087039.193 673430.475 1176150.412 813911.7143 1035203.267 778390.1634 578226.5198 746349.0574 479142.2629 328268.9823 373474.7246 415014.2884 1018023.935 755198.0216 448377.7114 825969.2066 448908.0766 680221.2818 537971.4331 527891.0431 783530.4258 392186.5772 505668.4718 846014.7422 515968.0427 520541.0811 424118.7116 384694.1056 539679.7083 1157710.671 692835.8623 703237.944 489403.0832 910644.1411 373567.4822 784930.6743 619995.2216 474350.8907 722127.4381 897418.7008 462396.2358 610498.8401 932438.6174 509048.6572 953839.5035 624604.6349 500322.1565 523691.0416 1061693.004 631696.9913 889105.5525 494282.9403 593869.7807 1200360.997 943540.6881 355936.2922 709149.271 519021.078 Dipalmitoyl-Phosphoethanolamine NA NA NA NA NA NA 9999.060331 11732.45265 11392.18466 9685.170382 9099.809852 10786.35854 11559.65207 11758.52949 12279.60905 8652.74358 7648.312535 13956.99023 12765.24904 14028.53498 15284.7032 13437.21813 12172.52625 10745.8847 10677.82525 9036.332232 32186.91214 17089.75954 28811.32278 15700.70319 35282.89461 9823.510455 42946.07089 31835.03691 16200.6037 45023.4726 23008.63361 40629.16296 22200.52532 9352.641402 10788.34646 25875.57947 30742.1311 21382.03621 9689.529114 29994.26858 29249.03805 10943.12997 36801.73296 34389.64733 12158.03794 34718.64849 12502.02771 32386.6086 24224.13171 11404.78471 28741.8417 26860.90538 36571.46319 49820.42397 11979.37212 18352.44109 23201.86191 13375.22754 13164.02191 28919.83623 37371.76149 30936.23446 10574.33666 32669.70201 21628.14033 25465.02869 10597.61847 29281.58416 31903.37397 10061.4766 12167.17002 19017.55494 22371.89673 11394.65751 26978.8197 30435.63774 32573.34746 27830.62336 12621.84952 33544.50093 30624.53276 17710.97111 27884.6136 31839.16972 9761.442673 32296.72766 10771.44288 44891.30137 12009.95151 39892.03238 73289.75725 10191.02176 38129.75317 32768.44839 31063.35894 12266.39836 14917.40346 41889.54111 12772.07477 28557.98328 11143.14087 17401.92328 35611.59404 33002.38881 26596.62103 14535.51153 25978.34317 24000.14405 11896.35394 23521.7286 13561.77711 28008.73292 37865.69759 17326.64827 9308.611868 31310.25522 56846.54804 9734.732202 10586.38084 18572.95605 24373.819 20958.25297 26751.43923 13554.08368 41249.98524 15043.06683 20598.85285 14544.58513 22629.61662 39277.89428 11468.24126 35030.54045 39875.08326 34952.12391 30269.83977 9115.670362 18237.07402 13020.66325 16493.38435 34077.56747 11328.83707 38420.16718 31808.51131 13759.39302 32885.86663 21619.08951 13851.55124 20019.87773 16402.31254 27688.52422 53205.04229 10427.55985 13572.31635 29556.60112 18451.26991 34351.14416 9606.192522 46223.19786 13517.4041 24138.56826 36158.65002 28557.92148 12612.3694 35742.33527 37276.17032 14796.25313 28212.2659 11181.3708 30311.64247 33101.85974 29474.535 14025.16784 23389.39185 10946.65042 18238.21865 39439.58618 21731.12988 32442.42934 29470.4088 10600.72068 30136.40794 18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine) 121559.2849 47918.52711 34986.55281 197764.1637 88980.99527 53956.46694 6106252.733 6025508.471 6378704.143 6093907.527 6916931.86 6487777.371 6546120.977 6516862.192 6578982.547 6421449.764 6562904.411 6436989.61 6606201.843 6757274.784 6621137.296 6724698.331 6780121.976 6983832.285 6794172.837 5318935.278 5224533.617 4826314.79 7027871.727 6686667.077 7268031.979 5891156.811 5016439.442 5445816.358 7267540.263 7069100.766 6458116.949 6708844.256 6302429.512 6300942.294 5513380.487 5379543.341 5928717.79 5823008.522 6096222.066 5561255.559 5616259.611 5412503.578 5343796.738 7348031.866 8459455.518 7302602.231 6997359.565 7078864.576 7992917.877 7540037.148 7846017.359 7357344.823 6389498.528 6063270.407 6690009.976 6802027.406 6753747.993 6666874.863 7473185.172 6412070.694 6348665.633 6190188.772 6156687.926 5933826.079 5712640.707 6404332.108 6320178.371 7925617.293 7492056.8 7901534.547 7534279.077 7811987.832 7623386.807 7034645.9 6984268.624 7073823.106 5689106.116 6005506.751 6366158.724 5907125.04 6089300.122 6133800.142 5712209.221 5598012.124 6101654.473 6193283.724 6716278.444 6417235.767 6682909.505 6592915.078 6136376.042 7814650.884 7457759.963 7138856.354 5830029.1 6226362.214 5843296.155 6497054.673 6285179.94 6043915.09 7305381.413 6613170.106 7057157.939 7053558.324 6387800.422 6525223.002 6843028.243 7687189.458 7481535.114 7033254.005 7945120.374 7232057.672 6896324.782 6482922.733 6075751.24 5926892.142 6242529.021 6968884.173 6423727.902 6028431.92 6259004.426 5953709.535 6447573.825 5710302.907 6026288.153 6068794.076 6164513.877 6464447.606 6371310.436 5847277.626 6287395.556 6575335.911 6638075.321 6711311.685 6958237.761 6479880.503 6806480.104 6417706.769 6594673.941 6094139.03 6920200.255 6242201.496 6363870.858 6702804.546 5762289 5814546.027 5885473.15 5828506.346 5813212.77 5519069.797 5387641.45 6710896.579 7135188.009 7314880.123 6298560.556 5961941.106 6271120.019 6004433.232 6307568.406 6460816.03 6024584.303 6869678.52 7445861.771 5584254.819 5798042.589 6182837.977 6927574.5 7906693.21 7497831.487 6420547.182 6944403.618 6989003.95 7406964.615 6896610.515 6617923.128 6002431.896 5888143.302 6196503.996 7752463.836 7902725.923 7878098.902 Tricosanoic acid 20591.38749 NA NA 11325.42675 NA NA 7122.654895 6333.671536 9553.904518 7592.556165 9460.156821 8775.521587 7766.119463 10808.04151 7445.023705 7122.681485 8655.648697 8763.630339 9243.861432 11717.43744 11265.24978 10946.54512 10810.61801 11977.51901 10107.20606 NA NA 21160.05086 NA NA 30316.53073 NA 33211.21806 NA NA NA 26852.83337 NA 25139.71256 NA NA 26955.18065 NA NA NA 25701.34759 NA NA 17878.4704 24293.16086 NA NA NA 25259.78769 2371.354756 NA NA 29461.56608 NA 22820.54616 NA NA 28752.74769 NA NA 24271.68656 NA NA NA 24191.44737 27711.67318 NA NA 3301.181169 37799.62355 NA NA NA 25188.57073 NA 21051.94823 3981.980906 18786.65784 NA NA NA 25832.67735 NA 21258.35736 NA NA NA NA 16927.47785 NA NA 20202.06784 NA NA 20624.5499 NA NA 22802.01268 NA NA 22741.00946 NA 26381.47322 NA NA 23564.78156 NA 29954.10399 NA NA 20594.82276 NA NA 4307.020001 26222.5855 NA 24340.45417 NA NA NA 27504.39453 NA 26308.71373 NA NA 26376.17157 NA NA NA NA 28999.56616 NA NA 30625.60402 20019.28701 5042.140895 NA NA 21653.90982 NA 27936.93468 NA 3041.957561 NA NA 18617.53916 23601.74673 NA NA NA NA 25704.73391 22699.82207 NA NA NA 35513.41098 NA 21461.46009 NA NA 20606.77918 2099.881252 NA 20944.3562 NA NA 29890.06018 NA NA 26130.65795 NA NA 2480.102608 NA 27597.14979 23577.97304 NA NA 24433.48657 NA NA Ceramide d18:1/16:0 NA NA NA NA NA NA 104976.6953 98647.68513 69376.33348 68787.36306 66796.12845 74683.10191 77590.60847 78397.04547 74155.11237 68619.55722 70450.49076 83099.78949 89644.95402 95416.22854 97254.73854 90963.39974 82641.28934 86869.02158 96551.49479 68085.81621 127830.3044 97448.95516 167503.0205 87598.21817 176895.0669 68358.37358 135292.0328 176015.1243 81032.19154 131956.8874 107480.6867 134502.1009 131313.6671 106273.0991 55694.17828 107814.771 157858.1214 151983.3369 58112.43045 112948.6848 88428.15926 70859.17826 96971.80796 155161.1314 116750.8705 272150.0586 87339.98166 107774.7651 140673.9082 139983.2601 252568.2414 176192.1151 157050.7493 100748.3368 94960.71078 173989.2759 195769.3524 131893.7825 109752.895 75550.23174 119552.633 157761.9623 85762.98598 96914.80549 115620.3728 145556.5829 116957.5746 178144.9319 135884.9404 158748.0779 110043.8858 163856.9543 138303.6812 89956.59712 158368.1691 173491.0252 126425.4825 194879.5084 154494.8705 175479.448 194269.3746 161708.5143 115737.5097 174702.4146 88182.23879 107378.2078 108110.2109 81948.55446 161197.0609 203478.1659 106881.5883 127703.1117 219569.0933 125003.9522 210129.1735 138097.8992 146974.5171 136734.3174 74863.94092 89233.53856 87920.11148 147311.5435 210006.3006 170883.0734 116580.266 95252.26211 116077.1226 114570.4879 92874.36496 108731.9158 154391.2012 118641.6065 169300.1088 140005.5503 116570.1637 132294.4811 150275.7649 59803.76041 78221.66324 115821.4557 116081.1847 222901.5664 147732.3516 93949.39279 127863.8125 62649.85022 159741.2664 100820.0479 118516.4685 81163.28726 148922.8263 179160.405 147451.9114 213240.4531 304032.5285 99872.87457 100038.3284 125968.3062 74990.10424 102004.3569 178079.8732 101360.719 111663.2029 121281.5971 93892.20563 133457.838 102625.1501 170496.3636 140069.5809 120232.063 149590.227 136823.2133 109247.0254 182715.7742 132798.3452 133973.7189 91453.40559 89066.23475 84625.62651 117651.1482 93057.71334 130924.1106 117849.3899 107063.0298 132874.113 86514.80253 111209.1937 130593.7715 151738.0043 142179.7158 140076.4998 159602.1966 135070.2476 92750.52231 140410.0301 115344.29 116175.9393 117544.6277 139219.2841 197203.7229 134056.1942 Ceramide d18:1/18:1 (9z) NA NA NA NA NA NA 28632.82857 28058.83525 31134.81309 24184.55892 29872.54062 33190.28294 29701.82188 27915.26224 29315.84758 29625.44232 30558.6331 31208.87793 32709.92906 30772.17305 34254.41082 33887.44427 31530.7684 35228.93922 39136.2212 49353.99849 25291.32301 25301.75286 38596.03722 30834.74997 54787.56536 39365.03984 41043.42708 34310.51945 29006.02167 19437.52684 28321.92214 33307.39467 36159.88705 60026.34503 29282.53195 27069.69216 36067.94285 30128.94162 33229.83735 26664.08273 25657.35982 55823.69202 31813.37188 36725.32653 45236.92472 44896.91737 33780.62735 26269.97925 30541.02888 66998.41224 67322.07933 75562.67958 19661.01525 25963.71887 42883.85196 27995.96809 34374.85154 39948.35019 36553.39175 22406.94294 17825.27052 34761.55296 34992.3925 31039.44966 34269.71367 35057.23021 40771.31431 15992.40693 21446.74674 16034.89755 43315.79729 27074.0674 36265.7361 71131.54494 80058.39571 52216.21982 36916.11805 43911.87443 66431.15787 41806.77736 52212.39701 52686.15701 59461.52401 48021.20234 62817.70921 21991.76451 32761.96336 21973.79439 50597.3608 32575.97162 37949.67483 54669.81576 40460.99429 43218.28603 54962.96708 52933.1666 60477.66084 29785.02296 43700.15797 27023.58293 29114.676 40886.28471 36130.7119 32755.63609 27693.35 24712.35254 37066.18241 32095.41114 27681.99789 34421.38984 34302.45226 27925.5901 32650.96926 32092.58828 38832.35855 27193.39682 27092.72749 19541.99423 40378.40119 37005.30749 32677.15332 41297.44511 28586.17937 28147.15488 29852.83422 15818.7653 31128.14523 46688.18003 24757.48983 23915.01756 65669.55044 35384.32382 35214.36694 65648.34638 66849.74748 28202.20033 40950.8051 29122.78564 35907.37851 27672.26768 46206.02946 25509.32957 29548.57318 46606.72985 32905.69197 42449.40387 49587.69963 43998.49873 49155.31976 27004.18288 26925.66047 46442.58466 45513.96579 33680.94334 50844.8563 66702.07607 56661.80318 29574.72773 29222.73634 29738.98141 35044.14262 40510.64245 60656.31121 42184.6122 31251.45802 47014.32852 27424.99725 40688.58322 31000.4189 51080.48451 51432.64239 62651.29241 29154.54672 28951.68448 27118.23588 34650.89398 43215.35183 35454.73894 29283.422 55893.72476 33883.63693 Lignoceric Acid 44822.29978 5372.267638 3600.034399 24754.49775 NA 3218.032731 34954.08253 33138.50556 32765.86959 30394.81257 33489.23997 40360.93999 40272.18327 41529.29537 40884.61744 35010.54035 36051.01773 40676.03282 37804.86425 45581.06689 42456.17722 46078.6887 42417.05531 44664.05645 47252.22739 10387.74279 9133.907077 63465.35647 16339.01836 8018.310897 77370.96603 9838.25555 86999.58732 8560.422453 6017.168814 12391.33715 76794.51366 17217.11524 75775.89065 17127.24108 4373.556276 85292.69363 22004.20558 8667.217069 6243.758211 77531.09974 32846.83396 6093.798807 56424.77478 65240.25145 8364.353747 14137.23925 8117.801885 92535.06881 36787.16041 6380.341626 18666.9337 86288.53774 8772.499839 77383.21797 6785.187631 10979.32344 88757.88988 8508.673582 6306.680798 72383.47598 14376.98157 11723.09983 6206.174755 84132.82742 74360.35743 20596.1765 7010.333452 123954.796 147407.6371 133085.3162 11219.6609 22634.292 84149.28205 9308.65184 74433.3476 31618.75359 61874.27283 17284.94793 8730.612203 10746.76081 72868.6594 12666.15163 66837.28689 10593.59049 9619.437273 21431.07352 6563.326941 75624.40523 7744.192615 7031.085587 57251.09541 17364.52787 10801.55503 59714.8195 9178.394555 6224.309479 62142.31674 33170.45454 7721.191364 80057.53767 7428.554746 73531.8231 23210.87911 11404.52254 78175.40016 15927.34596 93308.58428 22968.35511 5410.835349 62133.9397 7227.029037 19156.35586 30139.68948 74564.55496 5362.615875 79015.50844 30246.86068 7511.271173 6652.027373 79007.50197 8723.086848 86975.82544 25251.7266 3690.462966 84741.4971 5040.928967 13122.48363 15322.71231 13290.00023 86387.82906 11033.82314 12539.98268 86526.13047 55306.88665 23626.92028 14207.30432 10050.46692 78548.93347 9622.061225 78055.6909 18148.58432 31782.82249 11844.18899 7494.647532 69176.48211 72425.99149 5368.150132 7570.402033 8742.300976 16339.95683 84296.44353 70923.6653 4508.997248 11177.12176 12793.06929 90079.1525 7952.142716 63256.94246 8266.650403 16358.75819 60404.47886 19284.67153 17527.1588 61380.14066 7011.337169 5855.061641 93334.99797 8072.571517 18883.39988 78866.69294 25386.8556 8296.716864 17379.10576 6447.019912 78758.72762 78341.73195 11067.18987 13379.22372 86160.14991 9904.764414 18466.36476 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Mass RT (min) RT (sec) Adduct mz CAS ID 4-(Methlynitrosamino)-1-(3-pyridyl)-1-butanol C10 H15 N3 O2 209.1124 0.41 24.6 m-H 208.1046 Diethylphosphate (DEP) C4 H11 O4 P 154.0387 0.41 24.6 (m+HCOO)- 199.0364 598-02-7 Ethyl sulfate C2 H6 O4 S 125.9996 0.41 24.6 m-H 124.9918 546-74-7 Dimethylphosphate (DMP) C2 H7 O4 P 126.0092 0.42 25.2 (m+HCOO)- 171.0069 813-78-5 Ethyl glucuronide C8 H14 O7 222.0732 0.42 25.2 m-H 221.0654 17685-04-0 Malic acid C4 H4 O4 116.0117 0.42 25.2 m-H 115.0039 110-16-7 3-Hydroxybutyric acid C4 H8 O3 104.0479 0.43 25.8 m-H 103.0401 300-85-6 Oxoadipic acid C6 H8 O5 160.0367 0.43 25.8 (m+HCOO)- 205.0344 3184-35-8 Oxoglutaric acid C5 H6 O5 146.0221 0.43 25.8 (m+HCOO)- 191.0198 22202-68-2 2-Hydroxybutyric acid C4 H8 O3 104.0474 0.7 42 m-H 103.0396 5094-24-6 3-hydroxyanthranilic acid C7 H7 N O3 153.0428 0.7 42 (m+HCOO)- 198.0405 548-93-6 4-methylcatechol C7 H8 O2 124.0531 0.7 42 (m+HCOO)- 169.0508 452-86-8 Diethylthiophosphate (DETP) C4 H11 O3 P S 170.0183 0.7 42 m-H 169.0105 5871-17-0 Homogentisic acid C8 H8 O4 168.0433 0.7 42 (m+HCOO)- 213.041 451-13-8 Itaconic acid / 2-Methylmaleic acid C5 H6 O4 130.0262 0.7 42 m-H 129.0184 97-65-4 / 498-23-7 N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine C9 H15 N O4 S 233.0658 0.7 42 m-H 232.058 159092-65-6 Phenylglyoxylic acid C8 H6 O3 150.0326 0.7 42 (m+HCOO)+[-H2O] 177.0197 611-73-4 trans,trans -Muconic acid C6 H6 O4 142.0254 0.7 42 m-H 141.0176 3588-17-8 3-Methoxy-4-Hydroxymandelic acid C9 H10 O5 198.0553 0.71 42.6 m-H 197.0475 55-10-7 3,4-Dihydrox benzoic acid C7 H6 O4 154.0264 0.72 43.2 m-H 153.0186 99-50-3 Indoleacetaldehyde C10 H9 N O 159.0678 0.79 47.4 (m+HCOO)+[-H2O] 186.0549 20095-27-6 Adipic acid / 3-Methylglutaric acid C6 H10 O4 146.0581 0.82 49.2 m-H 145.0503 124-04-9 / 626-51-7 N-Formyl-L-Methionine C6 H11 N O3 S 177.0454 0.83 49.8 m-H 176.0376 4289-98-9 Hydroxyphenyllactic acid C9 H10 O4 182.0583 0.9 54 m-H 181.0505 6482-98-0 Phenylacetic acid C8 H8 O2 136.0528 0.9 54 (m+HCOO)- 181.0505 103-82-2 5-Hydroxyindoleacetic acid C10 H9 N O3 191.0591 0.94 56.4 m-H 190.0513 54-16-0 Indoxyl Sulfate C8 H7 N O4 S 213.01 0.94 56.4 m-H 212.0022 2642-37-7 Xanthurenic acid C10 H7 N O4 205.0349 0.98 58.8 (m+HCOO)- 250.0326 59-00-7 3-Methyl-2-Oxovaleric acid C6 H10 O3 130.063 1.25 75 m-H 129.0552 1460-34-0 P-Hydroxyphenylacetic acid / 2-Hydroxyphenylacetic acid C8 H8 O3 152.0446 1.25 75 (m+HCOO)- 197.0423 156-38-7 / 611-71-2 Hippuric acid C9 H9 N O3 179.0587 1.26 75.6 m-H 178.0509 495-69-2 Phenylacetylglutamine C13 H16 N2 O4 264.1111 1.28 76.8 m-H 263.1033 28047-15-6 4-Hydroxybenzoic acid C7 H6 O3 138.0314 1.3 78 m-H 137.0236 99-96-7 Phthalic acid C8 H6 O4 166.0261 1.41 84.6 m-H 165.0183 88-99-3 Mandelic acid / 3-Hydroxyphenylacetic acid C8 H8 O3 152.044 1.44 86.4 (m+HCOO)- 197.0417 90-64-2 / 621-37-4 6-Carboxyhexanoic acid C7 H12 O4 160.0737 1.58 94.8 m-H 159.0659 111-16-0 p-Cresol C7 H8 O 108.0572 1.79 107.4 m-H 107.0494 106-44-5 p-Cresol sulfate C7 H8 O4 S 188.0145 1.79 107.4 m-H 187.0067 3233-58-7 3-Hydroxybenzoic acid C7 H6 O3 138.0312 1.86 111.6 (m+HCOO)+[-H2O] 165.0183 99-06-9 p-Cresol glucuronide C13 H16 O7 284.0893 2.54 152.4 m-H 283.0815 17680-99-8 Indole-3-Ethanol C10 H11 N O 161.0834 3.04 182.4 (m+HCOO)- 206.0811 526-55-6 N-Acetylphenylalanine C11 H13 N O3 207.0889 3.05 183 m-H 206.0811 2018-61-3 4-Aminobenzoic acid / Anthranilic acid C7 H7 N O2 137.0474 3.16 189.6 (m+HCOO)+[-H2O] 164.0345 150-13-0 / 118-92-3 MCPP (Mono (3-carboxpropyl) phthalate) C12 H12 O6 252.0666 3.22 193.2 m-H 251.0588 66851-46-5 Suberic acid C8 H14 O4 174.0892 3.35 201 m-H 173.0814 505-48-6 m-Coumaric acid C9 H8 O3 164.0472 3.53 211.8 (m+HCOO)- 209.0449 588-30-7 4-Nitrophenol C6 H5 N O3 139.0275 3.55 213 m-H 138.0197 100-02-7 Indole-3-Carboxylic acid C9 H7 N O2 161.0475 3.61 216.6 m-H 160.0397 771-50-6 Indole-3-Acetic acid C10 H9 N O2 175.0633 3.67 220.2 m-H 174.0555 6505-45-9 Bisphenol S C12 H10 O4 S 250.0297 3.72 223.2 (m+HCOO)- 295.0274 98388-00-2 Methyl Paraben C8 H8 O3 152.0462 3.77 226.2 m-H 151.0384 99-76-3 Estriol 16alpha-(beta-D-glucuronide) C24 H32 O9 464.2023 3.83 229.8 m-H 463.1945 1852-50-2 Salicylic acid C7 H6 O3 138.0315 3.96 237.6 m-H 137.0237 69-72-7 MEP (Mono-ethyl phthalate) C10 H10 O4 194.0569 4.01 240.6 m-H 193.0491 2306-33-4 Caprylic acid C8 H16 O2 144.1149 4.15 249 (m+HCOO)- 189.1126 124-07-2 Azelaic acid C9 H16 O4 188.1049 4.16 249.6 m-H 187.0971 123-99-9 Cortisone C21 H28 O5 360.1927 4.36 261.6 (m+HCOO)- 405.1904 53-06-5 Dibenzyl phosphate (DBZP) C14 H15 O4 P 278.074 4.42 265.2 m-H 277.0662 1623-08-1 2,2',4,4'-tetrahydroxybenzophenone C13 H10 O5 246.0554 4.46 267.6 (m-H)+[-H2O] 227.037 Cortisol C21 H30 O5 362.2084 4.47 268.2 (m+HCOO)- 407.2061 50-23-7 Bisphenol A C15 H16 O2 228.1116 4.51 270.6 (m-H)+[-H2O] 209.0932 80-05-7 Dibutyl phosphate (DBUP) C8 H19 O4 P 210.1011 4.52 271.2 m-H 209.0933 107-66-4 Estrone sulfate C18 H22 O5 S 350.1179 4.53 271.8 m-H 349.1101 438-67-5 Perfluoro-n-pentanoic acid C5 H F9 O2 263.9864 4.53 271.8 m-H 262.9786 2706-90-3 S-Hexyl-Glutathione C16 H29 N3 O6 S 391.1794 4.54 272.4 (m+HCOO)- 436.1771 24425-56-7 Cis-Resveratrol C14 H12 O3 228.082 4.58 274.8 (m+HCOO)+[-H2O] 255.0691 61434-67-1 Ethyl Paraben C9 H10 O3 166.0625 4.59 275.4 m-H 165.0547 120-47-8 Bisphenol F C13 H12 O2 200.0832 4.65 279 (m+HCOO)- 245.0809 620-92-8 Sebacic acid C10 H18 O4 202.1205 4.7 282 m-H 201.1127 32734-00-2 17beta-dihydroepiandrosterone sulphate C19 H32 O5 S 372.1995 4.78 286.8 m-H 371.1917 10-Hydroxydecanoic acid C10 H20 O3 188.1408 4.81 288.6 m-H 187.133 1679-53-4 Dehydroepiandrosterone Sulfate C19 H28 O5 S 368.1657 4.83 289.8 m-H 367.1579 1095-56-3 Corticosterone / Cortexolone C21 H30 O4 346.2128 4.84 290.4 (m+HCOO)- 391.2105 50-22-6 / 152-58-9 Cortolone C21 H34 O5 366.2384 4.88 292.8 (m+HCOO)- 411.2361 516-42-7 Di-p-cresylphosphate C14 H15 O4 P 278.0641 4.93 295.8 m-H 277.0563 4-Hydroxybenzophenone C13 H10 O2 198.0679 4.97 298.2 m-H 197.0601 Taurohyodeoxycholic Acid / Tauroursodeoxycholic Acid C26 H45 N O6 S 499.2933 4.99 299.4 m-H 498.2855 4/5/2958 / 14605-22-2 Taurocholic acid C26 H45 N O7 S 515.2905 5.08 304.8 m-H 514.2827 345909-26-4 Thyroxine C15 H11 I4 N O4 776.6853 5.2 312 m-H 775.6775 51-48-9 Perfluorohexanoic acid C6 H F11 O2 313.9803 5.22 313.2 m-H 312.9725 307-24-4 11-beta-hydroxyandrosterone C19 H30 O3 306.2175 5.24 314.4 (m+HCOO)- 351.2152 57-61-4 MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate) C12 H14 O4 222.0889 5.26 315.6 m-H 221.0811 131-70-4 / 30833-53-5 Glycoursodeoxycholic Acid C26 H43 N O5 449.313 5.41 324.6 m-H 448.3052 64480-66-6 Pregnenolone Sulfate C21 H32 O5 S 396.1976 5.41 324.6 m-H 395.1898 1247-64-9 Androsterone glucuronide / Etiocholanolone glucuronide C25 H38 O8 466.257 5.44 326.4 m-H 465.2492 1852-43-3 / 9/3/3602 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) C17 H22 O6 322.1393 5.47 328.2 m-H 321.1315 936022-02-5 Glycocholic acid C26 H43 N O6 465.308 5.51 330.6 m-H 464.3002 475-31-0 21-Hydroxypregnenolone C21 H32 O3 332.2364 5.52 331.2 (m+HCOO)- 377.2341 1164-98-3 Naproxen C14 H14 O3 230.0939 5.52 331.2 m-H 229.0861 26159-31-9 OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate) C17 H24 O5 308.1628 5.52 331.2 m-H 307.155 936021-98-6 Epipregnanolone sulphate / Epiallopregnanolone sulfate C21 H34 O5 S 398.2177 5.56 333.6 m-H 397.2099 Dodecanedioic acid C12 H22 O4 230.1517 5.57 334.2 m-H 229.1439 142610-44-4 Taurochenodeoxycholic Acid C26 H45 N O6 S 499.2953 5.59 335.4 m-H 498.2875 516-35-8 2-Undecanone C11 H22 O 170.1667 5.67 340.2 (m+HCOO)- 215.1644 121-12-9 Omega-Hydroxydodecanoic acid C12 H24 O3 216.172 5.67 340.2 m-H 215.1642 505-95-3 3,5,6-Trichloro-2-pyridinol C5 H2 Cl3 N O 196.9175 5.69 341.4 m-H 195.9097 6515-38-4 Perfluoroheptanoic acid C7 H F13 O2 363.9766 5.71 342.6 m-H 362.9688 S-Budesonide C25 H34 O6 430.2361 5.71 342.6 (m-H)+[-H2O] 411.2177 51333-22-3 Butyl Paraben C11 H14 O3 194.0933 5.73 343.8 m-H 193.0855 94-26-8 cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate) C18 H24 O6 336.1574 5.74 344.4 (m+HCOO)- 381.1551 1373125-93-9 Taurodeoxycholic acid C26 H45 N O6 S 499.2956 5.78 346.8 m-H 498.2878 125757-77-9 Perfluorohexanesulphonic acid (PFHxS) C6 H F13 O3 S 399.9431 5.79 347.4 m-H 398.9353 355-46-4 5beta-Pregnane-3alpha,20alpha-diol glucuronide C27 H44 O8 496.3 5.85 351 m-H 495.2922 1852-49-9 1-Hydroxy-2-Naphthoic acid C11 H8 O3 188.0454 5.93 355.8 m-H 187.0376 86-48-6 Hyocholic Acid C24 H40 O5 408.2834 6 360 (m+HCOO)- 453.2811 547-75-1 1H,1H,2H,2H-Perfluorooctane sulfonate C8 H5 F13 O3 S 427.9764 6.01 360.6 m-H 426.9686 Perfluorooctanoic acid C8 H F15 O2 413.9739 6.11 366.6 m-H 412.9661 335-67-1 Glycochenodeoxycholic acid C26 H43 N O5 449.3133 6.13 367.8 m-H 448.3055 16564-43-5 Cholic acid C24 H40 O5 408.285 6.14 368.4 m-H 407.2772 81-25-4 Hyodeoxycholic acid / Ursodeoxycholic acid C24 H40 O4 392.2918 6.15 369 (m+HCOO)- 437.2895 83-49-8 / 128-13-2 Perfluoroheptanesulfonic acid C7 H F15 O3 S 449.9404 6.16 369.6 m-H 448.9326 375-92-8 5alpha-androstan-3alpha, 17beta-diol 3-glucosiduronate C25 H40 O8 468.28 6.31 378.6 m-H 467.2722 Glycodeoxycholic Acid C26 H43 N O5 449.3132 6.36 381.6 m-H 448.3054 360-65-6 Lithocholyltaurine C26 H45 N O5 S 483.2938 6.39 383.4 (m+HCOO)+[-H2O] 510.2809 6042-32-6 Salsolinol C10 H13 N O2 179.0939 6.4 384 (m+HCOO)+[-H2O] 206.081 59709-57-8 Perfluorooctanesulfonic acid (PFOS) (branched) C8 H F17 O3 S 499.9365 6.43 385.8 m-H 498.9287 2,4,6-Trichlorophenol C6 H3 Cl3 O 195.9239 6.44 386.4 m-H 194.9161 88-06-2 Perfluorononanoic acid C9 H F17 O2 463.9704 6.49 389.4 m-H 462.9626 375-95-1 Perfluorooctanesulfonic acid C8 H F17 O3 S 499.9389 6.53 391.8 m-H 498.9311 2795-39-3 3-Methoxytyramine C9 H13 N O2 167.0947 6.58 394.8 (m+HCOO)+[-H2O] 194.0818 1477-68-5 12,13-DiHOME C18 H34 O4 314.2447 6.78 406.8 m-H 313.2369 263399-35-5 Perfluorodecanoic acid C10 H F19 O2 513.9722 6.85 411 m-H 512.9644 335-76-2 9,10-DiHOME C18 H34 O4 314.2421 6.9 414 m-H 313.2343 263399-34-4 Chenodeoxycholic acid C24 H40 O4 392.2924 6.93 415.8 (m+HCOO)- 437.2901 474-25-9 Lovastatin Hydroxy Acid C24 H38 O6 422.2671 6.93 415.8 m-H 421.2593 75225-50-2 Glycolithocholic acid C26 H43 N O4 433.3253 7.02 421.2 m-H 432.3175 474-74-8 Deoxycholic acid C24 H40 O4 392.2918 7.11 426.6 m-H 391.284 302-95-4 MEHP (Mono-2-ethylhexyl phthalate) C16 H22 O4 278.1517 7.17 430.2 m-H 277.1439 4376-20-9 Palmitoylcarnitine C23 H45 N O4 399.3336 7.23 433.8 (m+HCOO)- 444.3313 6865-14-1 LysoPC (14:0) C22 H46 N O7 P 467.3005 7.25 435 (m+HCOO)- 512.2982 20559-16-4 MiNP (Mono-isononyl phthalate) C17 H24 O4 292.1676 7.39 443.4 (m+HCOO)+[-H2O] 319.1547 297182-83-3 Perfluorododecanoic acid C12 H F23 O2 613.9677 7.54 452.4 m-H 612.9599 Sphingosine-1-phosphate (d18:1) C18 H38 N O5 P 379.2481 7.56 453.6 m-H 378.2403 26993-30-6 13(S)-HODE C18 H32 O3 296.2349 7.64 458.4 m-H 295.2271 29623-28-7 9S-HODE C18 H32 O3 296.2348 7.7 462 m-H 295.227 73543-67-6 9S-HpODE/ 13S-HpODE C18 H32 O4 312.2293 7.72 463.2 m-H 311.2215 29774-12-7/33964-75-9 Pentachlorophenol C6 H Cl5 O 263.8471 7.74 464.4 m-H 262.8393 87-86-5 Sphinganine-1-phosphate (d18:0) C18 H40 N O5 P 381.2629 7.76 465.6 m-H 380.2551 19794-97-9 PC (18:2/0:0) C26 H50 N O7 P 519.3301 7.77 466.2 (m+HCOO)- 564.3278 22252-07-9 Lithocholic acid C24 H40 O3 376.2944 7.85 471 (m+HCOO)- 421.2921 434-13-9 Mono-(2-ethylhexyl) terephthalate C16 H22 O4 278.1517 7.88 472.8 m-H 277.1439 155603-50-2 O-Octadecanoyl L-Carnitine C25 H50 N O4 428.3672 7.88 472.8 (m+HCOO)- 473.3649 25597-09-5 Perfluoro-n-tridecanoic acid C13 H F25 O2 663.9626 7.89 473.4 m-H 662.9548 N-Palmitoyl Taurine C18 H37 N O4 S 363.2461 7.95 477 m-H 362.2383 83982-06-3 LysoPC(16:0) C24 H50 N O7 P 495.3316 8 480 (m+HCOO)- 540.3293 14863-27-5 12,13-EpOME / 9,10-EpOME C18 H32 O3 296.2347 8.06 483.6 m-H 295.2269 POV-PC C29 H56 N O9 P 593.3625 8.09 485.4 (m+HCOO)- 638.3602 121324-31-0 LysoPE (16:0) C21 H44 N O7 P 453.2848 8.12 487.2 m-H 452.277 53862-35-4 Mono-isodecyl phthalate C18 H26 O4 306.1829 8.17 490.2 m-H 305.1751 31047-64-0 LysoPC (18:1) C26 H52 N O7 P 521.3473 8.21 492.6 (m+HCOO)- 566.345 19420-56-5 Lauric acid C12 H24 O2 200.1774 8.22 493.2 m-H 199.1696 143-07-7 LysoPE (18:1) C23 H46 N O7 P 479.3001 8.33 499.8 m-H 478.2923 89576-29-4 LysoPC (17:0) C25 H52 N O7 P 509.3481 8.37 502.2 (m+HCOO)- 554.3458 50930-23-9 Didecanoyl-Glycerophosphocholine C28 H56 N O8 P 565.3729 8.44 506.4 (m+HCOO)+[-H2O] 592.36 3436-44-0 1-Oleoyl Lysophosphatidic Acid C21 H41 O7 P 436.258 8.53 511.8 m-H 435.2502 22556-62-3 PAF C-16 C26 H54 N O7 P 523.3629 8.58 514.8 (m+HCOO)- 568.3606 65154-06-5 LysoPC(18:0) C26 H54 N O7 P 523.3628 8.72 523.2 (m+HCOO)- 568.3605 19420-57-6 1-Arachidonoylglycerol C23 H38 O4 378.2728 8.76 525.6 m-H 377.265 35474-99-8 Palmitoyl-EA C18 H37 N O2 299.2814 8.79 527.4 (m+HCOO)- 344.2791 544-31-0 1-Linoleoylglycerol_2 C21 H38 O4 354.2743 8.8 528 (m+HCOO)- 399.272 127961-15-3 LysoPE (18:0) C23 H48 N O7 P 481.3158 8.85 531 m-H 480.308 69747-55-3 Perfluorohexadecanoic acid C16 H F31 O2 813.9472 8.85 531 m-H 812.9394 Oleamide C18 H35 N O 281.2713 9.02 541.2 (m+HCOO)- 326.269 181057-55-6 Myristic acid C14 H28 O2 228.2088 9.05 543 m-H 227.201 544-63-8 Bilirubin C33 H36 N4 O6 584.2626 9.09 545.4 m-H 583.2548 635-65-4 Protoporphyrin C34 H34 N4 O4 562.2523 9.1 546 m-H 561.2445 553-12-8 Alpha- linolenic acid / Gamma-Linolenic acid C18 H30 O2 278.2241 9.14 548.4 m-H 277.2163 463-40-1 / 506-26-3 Eicosapentaenoic acid C20 H30 O2 302.2239 9.19 551.4 m-H 301.2161 10417-94-4 PAF C-18 C28 H58 N O7 P 551.3938 9.28 556.8 (m+HCOO)- 596.3915 74389-69-8 Palmitoleic acid C16 H30 O2 254.2242 9.29 557.4 m-H 253.2164 373-49-9 Oleoyl-Glycerol C21 H40 O4 356.2927 9.31 558.6 (m+HCOO)- 401.2904 111-03-5 LysoPC(20:0) C28 H58 N O7 P 551.3941 9.41 564.6 (m+HCOO)- 596.3918 108341-80-6 Docosahexaenoic acid C22 H32 O2 328.2399 9.55 573 m-H 327.2321 6217-54-5 Linoleic acid C18 H32 O2 280.2401 9.56 573.6 m-H 279.2323 60-33-3 Arachidonic Acid C20 H32 O2 304.2401 9.58 574.8 m-H 303.2323 93444-49-6 Docosapentaenoic Acid C22 H34 O2 330.2551 9.75 585 m-H 329.2473 24880-45-3 Cholesterol Sulfate C27 H46 O4 S 466.3113 9.82 589.2 m-H 465.3035 1491-95-8 Palmitic acid C16 H32 O2 256.2401 9.83 589.8 m-H 255.2323 57-10-3 Dihomo-Gamma-Linolenic acid C20 H34 O2 306.2552 9.84 590.4 m-H 305.2474 1783-84-2 cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid C18 H34 O2 282.2556 10.01 600.6 m-H 281.2478 506-17-2 / 112-79-8 / 112-80-1/ 593-39-5 LysoPC(22:0) C30 H62 N O7 P 579.4321 10.06 603.6 (m+HCOO)- 624.4298 125146-65-8 Adrenic Acid C22 H36 O2 332.2707 10.12 607.2 m-H 331.2629 28874-58-0 Heptadecanoic acid C17 H34 O2 270.2555 10.19 611.4 m-H 269.2477 506-12-7 Hexadecanol C16 H34 O 242.2606 10.19 611.4 (m+HCOO)+[-H2O] 269.2477 36653-82-4 Stearic acid C18 H36 O2 284.2714 10.53 631.8 m-H 283.2636 609343-71-7 LysoPC(24:0) C32 H66 N O7 P 607.4571 10.65 639 (m+HCOO)- 652.4548 325171-59-3 Alpha-Tocotrienol C29 H44 O2 424.3396 10.86 651.6 (m+HCOO)+[-H2O] 451.3267 58864-81-6 C16 Sphingomyelin (d18:1/16:0) C39 H79 N2 O6 P 702.5667 11.13 667.8 (m+HCOO)- 747.5644 6254-89-3 Arachidic acid C20 H40 O2 312.3021 11.14 668.4 m-H 311.2943 506-30-9 LysoPC(26:0) C34 H70 N O7 P 635.4871 11.18 670.8 (m+HCOO)- 680.4848 1213783-80-2 Erucic acid C22 H42 O2 338.3177 11.21 672.6 m-H 337.3099 112-86-7 18:1-18:1 SM C41 H81 N2 O6 P 728.58 11.27 676.2 (m+HCOO)- 773.5777 18:2 (Cis) PC (1,2-dilinoleoyl-sn-glycero-3-phosphocholine_DLPC) C44 H80 N O8 P 781.5596 11.28 676.8 (m+HCOO)- 826.5573 998-06-1 Cholesterol C27 H46 O 386.3546 11.33 679.8 (m+HCOO)- 431.3523 80356-14-5 18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine) C41 H74 N O8 P 739.5204 11.41 684.6 m-H 738.5126 20707-71-5 Sphingomyelin C41 H83 N2 O6 P 730.5963 11.58 694.8 (m+HCOO)- 775.594 85187-10-6 Thioetheramide-PC C40 H83 N2 O5 P S 734.5644 11.62 697.2 (m+HCOO)- 779.5621 116457-99-9 Docosahexaenoyl PAF C-16 C46 H82 N O7 P 791.5784 11.66 699.6 (m+HCOO)- 836.5761 22055-22-7 Behenic acid C22 H44 O2 340.3333 11.67 700.2 m-H 339.3255 112-85-6 Eicosapentaenoyl PAF C-16 C44 H80 N O7 P 765.5571 11.67 700.2 (m+HCOO)- 810.5548 132196-28-2 Nervonic acid C24 H46 O2 366.3488 11.72 703.2 m-H 365.341 506-37-6 Arachidonoyl PAF C-16 C44 H82 N O7 P 767.575 11.75 705 (m+HCOO)- 812.5727 86288-11-1 Dipalmitoyl-Phosphoethanolamine C37 H74 N O8 P 691.5198 11.81 708.6 m-H 690.512 5681-36-7 18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine) C44 H84 N O8 P 785.5931 11.84 710.4 (m+HCOO)- 830.5908 27098-24-4 Tricosanoic acid C23 H46 O2 354.3488 11.91 714.6 m-H 353.341 2433-96-7 Ceramide d18:1/16:0 C34 H67 N O3 537.511 11.93 715.8 (m+HCOO)- 582.5087 24696-26-2 Ceramide d18:1/18:1 (9z) C36 H69 N O3 563.5234 12.06 723.6 (m+HCOO)- 608.5211 5966-28-9 Lignoceric Acid C24 H48 O2 368.3645 12.13 727.8 m-H 367.3567 557-59-5 METABOLITES_END #END