#METABOLOMICS WORKBENCH SinaiMetabolomics_20230122_125919 DATATRACK_ID:3696 STUDY_ID:ST002459 ANALYSIS_ID:AN004011 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 positive CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME Agilent Zorbax StableBond Aq (50 x 2.1mm,1.8um) CH:SOLVENT_A 0.2% acetic acid in water CH:SOLVENT_B 0.2% acetic acid in methanol CH:FLOW_GRADIENT 2–98% B in 13 min, hold at 98% B for 6 min CH:FLOW_RATE 0.550 mL/min flow rate CH:COLUMN_TEMPERATURE 60 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Full mass spectra were acquired at 1.67 spectra/s in the range 50–1000 m/z. MS:MS_COMMENTS Data files were divided according to respective groupings of samples, pooled QC, MS:MS_COMMENTS and matrix samples. Parameters for peak picking grouping, and alignment with MS:MS_COMMENTS ‘XCMS’ included centwave feature detection, orbiwarp retention time MS:MS_COMMENTS correction, minimum fraction of samples in one group to be a valid group = 0.25, MS:MS_COMMENTS isotopic ppm error = 10. The resulting peak table of retention times, m/z MS:MS_COMMENTS values, and peak areas was exported for data processing. Missing values in the MS:MS_COMMENTS peak table were filled using the 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 Gluconate 19342.05541 48595.34397 67365.52975 NA 8056.850353 13339.68555 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 87194.39872 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2813.282271 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA L-Glutamic acid / O-Acetylserine 11063.24744 11463.15747 6176.653871 21430.26555 20185.25012 20856.40944 168786.2264 178669.7961 175242.2452 164293.0665 150762.1982 146546.8873 149366.7176 159230.561 154997.4787 156032.0288 150052.9707 168644.5602 156992.6884 146511.0648 143725.1578 151175.4747 147605.3377 159242.3152 164495.6183 72393.123 198652.5586 207554.4065 159145.2305 83485.97049 227514.9001 83838.68726 197044.7436 162861.9861 108766.2088 158296.2819 181395.9235 203955.562 220129.6872 103087.5801 131456.0496 190452.6895 180128.0113 248736.6928 146680.0115 272358.6407 152617.0318 101641.0853 167567.4163 238367.0559 170818.129 263770.6785 136462.8513 179904.0127 174806.2111 138357.4853 195554.2186 175205.0999 178849.541 177216.9636 141998.7564 191016.1993 182634.3134 170530.2265 108410.9086 144860.3204 155538.2745 189410.0615 161191.9544 176166.7544 167954.9468 147634.0572 137823.0767 158949.7712 167085.1263 98432.75439 101739.4822 150570.2511 156767.8566 133540.6862 141467.7882 164664.8862 202533.4561 194216.9017 137615.061 176590.4692 172913.4201 82020.59305 185156.4867 192188.3646 146646.3774 169149.8444 162074.193 152915.258 135385.7689 191075.1021 202834.5733 127368.9278 101940.1843 176608.9714 141367.638 141319.3207 132141.9289 243514.6503 163882.7684 175452.3112 101149.546 128520.0732 81174.56862 133766.1906 173654.114 141125.2006 156876.5028 168976.0552 131671.8312 160995.0341 103870.1585 176981.467 113722.4557 155821.9944 77993.82421 217348.843 219615.8073 175593.4854 117821.2486 215375.4621 193070.7377 156205.7753 160191.9147 88993.03356 184330.0902 80765.84451 160847.8913 146107.883 173148.6958 203835.3441 133499.7014 163813.8579 193258.1979 222453.5577 292084.3982 163532.4808 103733.8034 213261.0431 78992.09898 163220.7381 72335.06903 158165.4358 147276.3991 62250.891 144389.0825 175072.76 129632.1095 171743.4543 122109.7303 176801.5934 169178.2361 178649.1617 138387.2827 204366.42 199062.2668 213023.7821 148530.4525 212694.5706 96742.15629 142539.5089 201985.126 120708.847 66333.74668 224523.616 221305.7879 59784.27958 172656.1825 88281.64418 171478.7401 252480.5484 204580.0159 111241.3453 164277.8769 81254.64506 182773.7308 228373.1221 99355.0669 158667.5416 179295.2077 111528.824 187503.017 L-carnitine 132379.5075 406816.3791 113500.1913 133320.8158 228367.0348 99276.15731 3073250.13 3410631.79 3364880.98 3119690.005 3183529.176 3075258.873 2755541.714 2950096.82 2805150.455 2888860.326 2645195.221 3063502.182 2855027.74 2943596.823 2954640.888 2442486.188 2611662.085 2916472.118 3006114.083 3753352.141 2978979.736 2988413.05 2783148.337 2550825.783 3052842.021 3664779.383 3109040.257 3704825.387 4757282.081 2101237.227 1864092.607 3118028.759 3059683.286 4811052.715 5853814.21 3686986.642 3710114.379 3324598.218 5312757.07 3089852.101 2518834.062 3748683.146 2694112.938 2052159.07 3372430.761 2973194.174 4214171.589 1987624.797 2473389.37 3086748.494 1861148.311 1499451.701 3064910.853 2804585.702 4266997.837 2852368.969 2421016.129 3584739.569 4192444.817 2961528.525 2809699.284 4346742.547 6478581.562 3963370.964 3949486.581 3938111.94 5620886.439 1616184.253 1578760.08 2175356.209 4588716.18 4347704.199 3602324.733 5236995.53 1839887.372 3463064.73 3395026.325 3194578.957 4290367.169 3596087.309 2503945.243 2821697.904 2819809.48 3201254.857 5088434.679 4938459.87 4169485.317 3525107.092 3988916.012 2648192.769 2901248.279 4450351.886 846268.8459 1877260.124 4008815.861 4933497.313 2535032.901 2563313.073 2279345.083 1073130.709 2674080.363 1395892.557 1049962.57 2773729.842 2790268.983 4195143.192 1200452.827 1719466.597 2774072.85 680543.6107 2573811.049 769783.8622 1783916.916 2681325.789 2221634.771 3827989.419 3187662.127 4519098.28 2950120.789 2761792.648 3677195.302 3182027.104 3819462.875 2277399.438 4860103.146 4121157.772 4251056.766 4551234.686 2608670.666 2856793.412 4024767.785 1772093.839 2248703.711 1980264.206 3363222.064 4948347.267 3909492.498 3870576.543 3345502.352 2353577.786 2527074.983 2184791.267 2050021.66 1862838.755 1873897.712 3159826.858 4008065.801 3939659.281 3974864.524 2802903.159 2794356.123 2190048.425 4897243.489 2491719.647 3782091.791 3175345.943 2920469.151 3594502.756 2438589.19 3218768.872 3301417.623 3707587.131 2864875.181 2424396.218 2825780.568 2723235.974 1987656.204 2051756.373 2458770.537 3750377.463 2963356.895 3345666.915 4328044.666 4996183.368 4548611.449 3948873.028 4693635.435 5393389.509 2912236.981 2447378.477 3180874.262 Trimethylamine-N-Oxide 1829.888687 7615.109536 2204.465246 NA 5600.999406 NA 6738.045329 9022.489112 9414.192813 8679.18905 8797.008654 8689.009848 8571.269838 7677.661461 7490.636399 8288.864674 7947.516232 9898.758619 8164.119438 7736.855807 7101.066167 8510.604316 10215.98524 8500.079451 10831.84939 6643.708618 4501.250507 5016.127334 5158.137584 12474.01091 5114.795513 8074.204785 6376.53441 5417.2405 7301.825832 4139.869952 4275.33126 3639.371841 5061.229237 4469.882697 4965.815403 4905.376283 4625.417529 5943.02003 11871.61852 7948.815227 6166.868379 10306.33393 6057.800282 5763.904891 7526.145393 5132.460492 6987.055382 5574.123066 4255.782727 4305.346601 5573.923568 4008.362872 5830.777705 7834.240054 12763.63214 5474.957208 6798.239394 6691.382869 5459.219981 5704.024475 4439.385526 4231.028361 5981.033785 5142.611467 7911.741059 5305.922914 5916.951735 3885.357064 4780.130689 6237.284063 12260.77076 6530.900332 6884.108329 9114.201758 7470.820154 6774.537686 6121.748373 3055.137411 5126.218635 6002.743955 6333.116921 11921.00112 5512.314223 4937.071348 7122.245033 12371.31173 19902.78502 15416.78125 7255.459499 4417.771169 5345.051381 11264.41139 5763.305068 7218.771614 5153.6801 6704.924219 6465.394299 4028.258821 5100.264662 5765.328991 21717.24086 9412.188731 5907.437298 4909.773577 7849.482589 10623.29256 6095.911961 4009.755583 4938.080629 5293.669435 7411.084646 4238.278448 7940.847199 16322.39246 44086.19769 8044.229639 5972.341826 7557.174678 21749.09479 11390.96505 16829.03008 22801.42124 20089.12192 5856.319146 3528.821295 10459.91078 5185.929147 3748.554643 4146.099612 4085.972406 9186.354101 5860.680183 6493.712789 14849.92074 8350.429015 9668.439468 27144.39688 9262.772667 28343.79995 9610.657056 11820.50711 7682.449667 5510.242692 17781.47248 6915.566443 13975.5111 20643.0097 10201.36161 5442.656474 4675.434073 4327.414346 7319.855876 10362.28002 5494.390534 5876.760454 8399.740696 12167.63737 4602.410231 7278.232292 4891.09261 5352.131168 5638.696571 8056.132436 5313.738496 4151.932806 5684.274513 9092.491439 16569.03362 6325.316816 7518.621324 6773.397531 17771.14563 3451.398239 7443.425685 4270.911523 4013.016257 5192.012808 4750.081548 9493.314739 21484.18994 10617.75962 Sarcosine NA NA NA NA NA NA 8212.752519 8079.338746 8310.752025 9534.8151 7042.068472 9247.124325 9438.387152 8034.721999 10314.25241 8353.333194 10135.62555 9578.125968 9783.496577 10916.00364 10680.117 10026.83354 8709.826469 9802.098888 9852.873363 2811.667873 11771.516 14526.43885 10750.18042 2115.552103 11051.25691 2109.404049 6507.846774 7885.182561 3006.407763 11175.24526 9560.768978 22056.44634 18791.67585 3213.523808 3248.070509 17728.61886 16634.77152 14706.30429 2158.5175 12930.29296 8635.461909 3208.121209 10088.83025 10839.08025 4644.711448 12429.51236 2649.652455 8385.088317 9439.258934 4118.692715 17843.46019 13631.86146 10443.04025 9841.405594 3355.980715 8149.649426 7712.162794 3395.898634 5183.353966 10852.43796 10406.36657 8977.072613 3748.159233 9343.700179 4318.386947 4113.409957 2415.818784 9208.983343 8581.921149 4135.973311 4040.004784 10966.44366 8912.803283 3956.39253 8093.017292 10851.34023 18598.85515 17391.64161 5527.542154 15165.88766 15091.89136 5465.859121 10496.26311 10924.7907 2815.434221 7957.916054 3292.628733 5669.370033 4844.181589 11056.57239 9419.093561 4654.391971 6626.475175 17569.21893 8616.288804 3610.518455 6318.351613 18514.31603 3326.924055 9600.605275 5492.305207 11621.9245 4572.070761 8962.849069 9591.520443 4093.912293 8968.312547 9054.368158 2484.901926 9809.822552 5475.604589 8366.195404 12777.25202 19153.54942 7396.810773 14064.98421 16751.55345 3643.294973 4821.985342 13126.62344 7959.312528 14420.60912 13137.85521 3409.169026 18117.74767 6261.578892 12814.42862 2629.550406 8722.835589 8861.920471 4539.012134 14087.80292 11049.63225 17521.50504 21587.04742 3241.900038 4903.962514 12740.75265 4362.604589 20037.57646 6674.119896 21294.10438 14779.65779 5371.209395 13282.6242 13652.3624 3418.508227 13518.62577 4634.295607 15170.74983 13346.47246 15653.97661 5852.763294 15830.68978 14158.8588 13609.15196 4943.318934 19666.25059 4319.341307 10978.79574 14660.80595 6300.718045 1538.731067 14210.49046 15986.79235 7188.311668 9362.594261 3905.184907 8326.992765 19178.85229 21579.68906 4934.44586 11408.67363 3991.001236 10714.92766 15277.28497 5970.583199 7847.881034 9121.99609 4077.056401 7960.615881 Methyl 4-aminobutyrate 127416.3829 424972.1484 447357.1392 114687.8516 153222.7754 NA 3549877.905 3953568.153 3713087.676 3839908.702 3843713.793 3748687.478 3712174.879 3896668.019 3467108.44 3068595.373 3382957.842 3480270.987 3633565.882 3394501.74 3336903.987 2864470.092 3042315.919 3171135.033 3379487.76 3336997.929 3220749.06 3495116.258 4065596.849 4157901.503 3674457.124 3660718.471 3343606.76 4207671.167 2292038.056 2475060.219 2257753.737 3412883.388 3023430.231 3202105.954 4334494.311 5132083.666 5503344.146 3984699.929 3208655.672 3345265.093 4750582.938 3198939.995 3720372.749 4081443.652 4371120.225 4765956.929 2568821.996 2373679.055 2137461.849 3061094.849 3754441.643 3133121.926 3110107.677 2730542.42 2653236.103 3197081.379 2576022.927 2913899.418 2929801.962 2773707.792 3077235.5 3334437.93 2429397.878 3050132.17 2760899.043 2847143.857 2919208.1 4282887.797 3602591.203 4332698.555 3476780.283 4543317.434 3878041.824 2287774.981 2626581.734 3263037.414 3280308.56 3455867.735 2064471.973 3358324.885 2934824.208 2451933.221 3994946.129 4345425.434 3137642.314 4315302.234 4399970.721 3181957.725 3401638.849 3453905.659 3097741.533 3905827.623 3428173.445 4548708.093 4470470.536 3100616.83 3093667.823 4670133.44 3902569.991 2974586.748 1424752.808 1472466.037 1101111.774 3774153.856 3276269.36 3472079.273 4086035.346 4391130.004 3610524.241 3861769.977 5033490.537 3637772.92 2482255.994 2712251.467 2311984.532 5131523.645 6632635.822 3939382.347 3456627.587 3037206.648 3778993.893 3010533.239 3584442.766 1511078.922 2744170.241 3268951.225 2905909.99 2731256.768 3045704.312 2369610.814 2731020.318 3053107.62 2516571.522 3997438.58 4663934.326 3494512.76 3308353.741 3799186.804 3052520.66 3130785.248 2637642.61 3492423.403 3075464.133 2215769.123 2424621.63 3918397.36 2702960.186 4113632.015 1336991.626 1932484.77 1577064.332 2273438.551 2288769.926 2510790.504 3154318.725 2364112.493 2639085.315 3047462.778 2798447.95 3163386.607 4495351.771 4432251.456 3756209.68 2499964.885 2875563.945 2882643.558 4212760.697 4849965.266 4969336.62 2847548.198 2855286.548 2310841.651 3773053.683 3419662.214 3031961.275 3117641.637 2826860.676 3135880.92 3004888.223 3628706.212 3690572.292 N-Acetylglucosamine NA NA NA NA 30828.56889 NA 38226.12768 40857.14151 37760.77108 40099.99817 41375.13636 42435.48975 41909.75309 41211.25046 38260.8325 39848.30948 37004.68351 38378.4577 35266.40334 36165.17869 37831.54465 35923.01523 37453.0626 39925.46688 39374.35956 9950.054966 174.8631045 254.2495457 1602.297178 1146.19056 702.6245302 466.0523093 868.9930836 359.9478735 351.3934127 2262.48086 218.2665419 7619.851077 27973.11576 257.853 236.3539273 761.1695075 2054.378099 533.6921865 215.4421351 157.5757381 3335.629021 135.1402655 2694.645296 748.2511765 468.5910165 1207.865781 897.3183735 1077.109648 2089.439953 5482.91164 1960.608881 2367.553402 2611.977492 512.0804859 1901.586796 1526.21776 9186.535333 3339.354714 4797.112325 1820.257385 2491.031222 2880.59702 1318.065387 29731.10283 2459.164199 10214.48717 1334.068417 6153.930742 126.3021906 NA 154.2871044 8664.178875 2832.168371 5335.894881 8602.884945 1887.606242 367.8492495 1751.156163 NA 2984.777146 3585.359594 780.6491982 6668.595962 4437.58363 146.6682282 10971.68474 2004.771378 18576.90127 2501.615788 6298.752524 1973.093834 861.8141488 10399.15977 1865.951 4682.002863 NA 5849.265988 4320.866623 923.0732996 5748.409645 5544.36751 1162.525869 7737.525451 9592.014479 5035.974661 1714.075148 1813.709251 12626.09324 4481.901528 7548.673861 3844.09065 11070.7574 12738.43391 680.7634931 2211.512567 2978.090337 10002.3587 125.8557955 NA 152.2529228 NA 815.1849011 639.6884625 1374.06547 404.7586219 303.2759808 NA 1513.802203 2202.291586 17168.73537 6331.899057 8499.316231 315.5036323 891.5446653 7443.078253 NA 15435.02932 180.4667926 4943.044694 998.7367437 206.3934692 695.356129 2041.527189 567.6605504 3901.156957 199.0204938 5505.469385 1355.841373 780.3039289 6135.580964 1050.883819 697.3740293 10286.52751 7888.726318 695.4040115 1427.586987 575.5495356 2738.99343 6608.171332 2785.242818 56689.08738 241.5057764 9994.582856 2329.488675 243.4434858 NA 2729.325718 529.0097417 2974.837393 2424.831771 286.7462064 17419.63344 8524.643273 211.9798467 4220.837644 1124.440071 136.4404987 1170.168542 688.6609299 417.9564225 1517.924568 4-Guanidinobutanoic acid NA NA NA NA NA NA 9874.233991 13172.12001 17622.59513 NA 15484.36364 NA NA 65736.36786 NA NA 66764.12263 68317.16812 68806.05552 4981.169887 11262.89664 NA NA NA 4912.688487 24318.93368 25670.24451 21678.72017 27288.59489 NA 16232.46799 NA 12808.36701 18425.88076 NA 19850.97406 12777.53539 26300.61418 23289.69607 NA 33034.51156 28174.8402 36198.25428 26785.84609 5637.923733 23687.70611 23464.27668 7628.558394 25550.94368 25074.48587 35429.62005 17903.47594 19569.37457 21925.55363 28046.80735 17011.46102 22690.65035 17379.13727 NA 39012.01431 59380.31702 94383.73978 73212.19332 50111.59202 45247.44833 70769.74487 74650.91337 68516.43228 NA NA 44918.19671 41692.028 NA NA NA NA NA 42491.29732 58755.37528 87056.54621 51480.47296 91451.24743 NA NA NA NA NA NA 56958.45179 10327.06301 NA NA NA NA 43397.99169 23043.14228 55403.07784 85920.48809 NA NA NA NA 18580.50595 NA 28551.33012 26289.21152 68420.88826 40471.92773 NA NA 36277.65892 79584.13406 24502.97123 31609.48651 NA NA NA NA 14320.07941 19332.94759 55412.93431 NA 158297.6468 NA 88117.10607 71029.17849 40674.61041 NA 23415.28556 NA NA NA 84631.9493 NA NA NA 17346.85862 18157.38472 18472.15337 27521.93364 16136.81579 NA 24943.18364 7155.902894 NA 14180.7199 18604.131 NA 12602.69105 15555.10431 4344.082094 7383.693911 NA 7005.862112 NA NA 12247.29787 NA 5603.245097 9057.204093 NA 10318.63504 NA 10315.26239 NA 17429.93277 11279.1683 13374.13416 NA 13184.32491 NA 2753.41597 NA NA NA 24886.90841 13471.2557 7414.486406 7429.674503 3908.302439 13788.8492 20064.38389 NA NA 19082.98088 NA 15793.18831 O-Acetyl-L-carnitine 5280.088307 16279.74309 5754.236413 9759.524226 28632.05679 5446.741445 3428566.55 3593017.565 3792989.306 3591081.698 3840149.376 3443363.825 3434176.433 3434424.668 3369384.164 3354561.428 3160504.966 3455913.969 3198247.434 3229883.597 3337914.821 3239211.842 3347885.691 3534093.439 3436586.691 7311318.242 6737214.039 8043947.277 94197.9713 4678962.043 3404515.125 10780648.9 6739760.536 1499902.867 4166558.276 181198.0368 3626945.29 2024969.248 6674879.215 6298885.155 3550926.959 2402763.737 224940.0556 1612816.413 2027039.446 4296301.333 309298.719 5927478.19 5487623.761 3243196.945 2682757.387 585798.923 2920386.375 2650277.911 1391345.963 3168718.922 68239.742 2341082.838 4709081.394 3843822.748 3758324.656 4486912.259 2721789.212 3984124.225 1609067.61 2259247.01 2570356.156 5972816.234 3539634.618 5233700.196 1290689.055 132429.1902 1238320.816 17480.69773 1341993.819 1645968.446 4414258.162 287786.3948 4084446.752 3076407.509 2023578.779 1146620.097 4792611.412 5395368.462 2416928.008 1185102.257 4312970.019 3196515.387 5469294.676 4724967.162 5262938.969 4106738.269 2800869.724 2535771.651 1651782.091 1803889.449 1875011.05 3047024.298 162983.5293 2373827.6 3619913.586 1579703.679 2483598.485 1547601.702 1624311.933 1974749.194 2816633.089 1911723.751 265279.4894 1844586.986 3143549.779 3656167.538 1328837.17 30427.74956 1131562.871 2136885.682 3124823.347 138944.614 210879.2279 3441564.208 3596059.94 2884974.055 3086747.887 1415976.852 4048131.529 3222948.911 1172251.236 4138676.841 491889.1829 560993.1128 3096192.046 1420658.895 3383097.212 5030736.57 5056071.127 3475418.368 2265066.666 126593.2876 2391911.588 4375220.569 319091.6196 1607895.302 1676787.81 2700655.986 3109076.957 4864993.175 4032646.672 6325089.083 4468369.116 5121471.537 3672827.294 3514850.637 2445520.044 1053319.834 3059793.368 3903745.382 2750296.553 3677595.455 3580318.721 1831994.237 1543654.36 3087659.213 5025206.027 5559580.219 2281698.069 4452486.384 5751699.576 6273479.739 5813695.612 4434323.962 1743203.429 3880443.798 3490015.305 6098459.832 509188.1665 5943022.092 7791575.643 4120193.861 446183.9561 4972332.628 3912462.611 4900535.682 4910235.45 3165207.776 1694293.717 2052432.093 286108.4071 Pyridoxal NA NA NA NA NA NA 76889.83795 63971.58605 69059.73629 79883.88807 78178.43082 76905.53076 70821.30046 77186.44621 83826.30158 78539.86617 68253.84274 74204.02456 82918.44283 76510.42378 65134.17829 72634.55851 73648.53011 82570.26926 83661.67704 69351.29399 56126.77057 52297.2153 28451.46748 71421.83204 27608.7104 68359.12947 32839.14715 53356.05387 63301.36596 37308.52747 23272.12813 33623.81562 28532.89189 72007.81239 89828.12927 30091.70769 30305.15503 79688.34838 128195.0959 60226.72682 23682.85534 64789.45031 38864.83474 40831.95924 103563.7766 61199.63905 67821.60396 42126.46704 26404.43904 84739.62511 32881.95569 28015.23558 63911.49874 72512.71966 102639.1947 119626.9654 111734.2266 116486.0056 79331.17522 67751.42791 81282.67799 70715.21896 84273.8205 69272.91159 47050.06075 45778.57355 108132.6055 28565.87565 22423.05291 59802.34031 109793.5508 61646.69702 67160.41837 116875.1493 44365.62895 76793.05063 63656.99678 67460.41655 97361.93843 67537.07295 63538.26965 92584.87303 61755.8218 72246.98126 95530.13631 75626.87847 109021.9435 77086.91926 92996.93819 67281.61012 57730.42075 94372.39152 56021.4178 61127.32125 83966.791 102781.2964 72733.10763 32002.56211 63331.60563 31318.18048 63018.97798 37654.60211 32869.93977 55693.91538 63896.09101 85359.72094 36853.30244 41213.76067 114335.0786 56298.70497 117823.3667 68730.67653 24018.15941 28000.40926 88127.15925 146546.9333 133680.2288 187810.8237 104336.4675 66065.72188 68713.30317 31380.41149 32496.80806 71903.29782 106859.986 128619.3989 108059.2914 77871.61806 67291.27036 62641.81363 95443.30687 53357.62106 37210.15876 45687.61858 57230.16212 116498.2808 56871.05802 31286.07223 63610.18247 53089.40221 72114.51875 57694.28638 54029.63753 61001.41729 45964.91378 59373.62295 84065.71836 58677.54878 75687.51321 54334.74529 51533.86619 70241.72577 108177.0007 70307.8102 38739.79558 26450.07296 58508.31479 54488.99085 80088.76168 55305.59915 42451.45661 54708.60855 68862.24292 86097.96681 70021.79264 116174.2935 36136.11113 90770.90137 51431.97776 48209.51673 45187.76413 86308.8343 40006.93075 110531.5075 50293.94757 67513.5875 94829.85736 59972.11689 63437.54834 140416.782 71360.55732 Trigonelline 9229.749213 8746.33447 NA 6064.127498 6701.557953 NA 105641.2764 101833.22 119609.8633 102241.1571 145632.7534 95701.46641 93462.65326 102321.7985 125465.2903 112253.7664 100893.0688 139514.8867 117983.7944 71841.12771 85232.56429 93026.05176 88287.72156 97126.64447 88880.75176 69564.21645 32524.80811 34213.29348 307966.8478 385867.4931 286912.9574 61335.94829 22781.21733 35585.53903 26630.80967 28971.20799 26484.25204 160294.7047 140728.0571 212850.616 61155.16201 24268.16905 50059.4756 129934.3021 148797.2085 36932.79339 27133.16784 29456.6403 20330.49079 28263.20577 79570.94343 50785.74641 77717.1184 30771.40331 30327.35416 214152.9929 150065.7807 117909.5604 29018.61586 34843.99933 51687.05846 31436.56144 NA 35586.53257 145069.3918 117749.4443 171344.9741 91628.62434 9646.876868 26264.19509 52319.74737 50393.72711 68051.12401 47462.86901 30139.74914 158084.539 406847.7685 320579.0904 269169.7321 113117.092 57181.65227 215272.7646 25434.50369 44682.84637 104684.7093 70135.51272 54614.37583 140650.7905 43596.16502 44979.14068 40812.19812 208837.1263 67750.70513 42468.65668 194568.1694 157805.8964 114890.1666 138176.4893 106938.8305 119086.7577 199801.3148 211501.7862 149358.4568 93996.35523 147363.7673 73506.52763 141185.9696 94488.86452 65212.98124 23330.87623 29518.83029 43327.35172 40326.66527 33454.89105 62490.76629 58755.25488 204549.8366 97572.79927 88937.39068 79181.83012 138904.2027 60709.7977 81439.07711 86195.18107 67939.57736 18591.48705 46242.21982 397615.5215 477954.9727 37810.89088 39055.38658 117243.1906 39933.7864 28025.18635 29213.21408 17105.87246 132325.3912 92031.49574 65793.00356 600449.5219 711371.4879 37157.96311 41133.60508 27419.55104 49189.6955 46237.70778 65046.45213 27407.40725 216869.6827 483997.2349 179462.5528 67253.88172 125543.6742 70558.91965 31602.25026 39580.60068 24325.58172 146798.3844 273282.8594 189661.3936 38912.48128 256503.449 41456.74393 51893.46455 78216.38462 81948.24448 181556.5059 315299.0605 403245.8303 36786.89876 25473.23748 75040.68946 133026.3124 209709.5879 145143.5935 34608.42044 49380.86444 91213.46228 123707.3746 145089.5995 74211.77128 36562.6338 47796.58397 38253.11131 145566.794 170366.149 122847.8539 Epinephrine NA NA NA NA NA NA 1279354.118 1394226.343 1367992.889 1365556.427 1367345.831 1294712.041 1289616.685 1244826.996 1242820.09 1248662.364 1256430.262 1340410.331 1291000.367 1281899.062 1303947.101 1190462.16 1222676.957 1297969.984 1403282.554 1291692.077 884961.9864 766421.2642 1508660.768 2227708.726 1291266.692 1005815.287 533670.1923 793196.7226 963059.5056 671864.5588 609173.8488 1256264.324 1139452.128 1762636.581 1202190.236 695381.3718 821316.3325 1341526.914 1784733.182 1038353.248 1083517.603 1476736.9 948759.884 916467.4639 1285998.605 1177788.09 1053318.278 863776.5969 708072.9646 1392853.68 1185515.837 1144566.214 1073200.983 1007059.519 1415055.001 1100530.639 1157428.655 1142762.35 1280124.289 950533.8439 1148469.389 1057369.656 1354440.949 940990.4387 791290.8529 1435410 1895524.503 2014357.919 1489781.816 1780083.25 1637592.595 1181177.031 1065244.977 1741602.451 31307.26931 1316311.383 942196.2524 1052656.133 1127282.54 1881966.78 1398280.674 2966117.401 1017201.602 1113550.408 1499188.467 2586517.993 1690839.403 2949323.31 1603932.705 1227853.288 1022558.532 1268226.971 1454827.161 762334.6596 1402783.685 1705626.285 1227534.428 1650165.99 2770828.511 1068113.154 1253090.684 769165.1038 1317391.778 1397440.593 1440586.765 989495.4483 1197578.252 1469111.799 1357642.245 1512780.316 1662587.112 1966776.929 1595992.515 1214493.152 1049100.369 1381946.452 1624666.61 1895489.555 1266931.421 897299.406 977912.4274 1128006.53 1372026.608 1798300.858 1095134.385 1711181.095 1273448.899 940483.2799 766139.0838 593350.5739 1442986.964 1131771.114 830037.9578 817896.7903 995184.0749 1707018.668 1741095.828 862995.3078 1876946.107 850729.8481 1699470.96 988934.6362 704519.9677 796925.5051 604710.3348 1014551.298 1577356.199 1208728.641 1224939.467 866060.4774 761725.3249 1296098.677 1795657.892 1490872.72 967893.42 752695.8963 1064234.213 735578.2227 1026283.989 854667.1951 720185.8475 1036244.936 1115129.848 885259.6758 881805.8807 1313148.517 1299984.473 2124404.85 1634288.947 886426.0054 986470.4884 1229962.778 927660.698 1303298.06 791098.9938 898400.3793 1260655.549 1092209.261 1454225.485 3533010.501 1972261.725 N-alpha-Acetyllysine 12271.06383 27756.42278 16634.07289 13020.32508 14154.62043 9094.846197 47516.21711 43012.58567 33951.74995 35266.37849 34928.64104 37564.08981 39938.57197 39771.40835 34730.68996 39042.75741 40330.59159 38880.26033 37427.24184 38719.22572 42322.5612 36007.45537 41492.43763 39795.33554 44097.80362 55585.99556 39052.89973 42296.48997 49826.79602 33856.69196 41130.72852 27963.47418 40417.07679 63244.28773 38875.33344 52858.24823 56095.01434 81982.71176 49177.71845 104697.4823 51930.96305 48487.89522 67081.44721 49610.55541 47372.26008 47372.13206 39192.47308 33608.64539 33548.93372 34652.09608 30193.73653 47424.02586 42452.11157 39653.78047 50277.58779 32866.52215 59032.14609 47180.51038 33949.81277 35879.59881 24860.17642 31885.24149 32103.43017 30027.37916 32567.95791 40796.39535 38103.53554 33546.23616 27134.94765 24283.51541 31626.80906 40866.10771 37713.27537 62931.20524 47423.41811 31999.92597 29415.46215 53225.48296 39857.05426 43024.19527 NA 82426.79298 39224.36201 34936.90527 29186.10777 33610.42852 39184.16484 33411.95702 47931.5435 48056.52713 49915.22521 37549.4522 17856.45728 32963.94508 33759.26691 33178.59547 40173.34909 37599.12902 39606.1948 37040.59024 34630.30938 26576.06038 28598.41689 36289.70097 14749.54137 23163.21263 19002.21389 28965.79123 27488.95314 42428.21678 26613.72497 25693.24946 34829.31672 39946.13415 26505.53231 36158.65041 25947.45606 47798.82904 60999.29516 56597.88039 28279.99456 44898.224 37402.35983 39566.08421 58667.80056 31627.24133 56871.45949 41819.55552 50438.13463 29385.57024 37901.73411 28790.23485 38397.17158 27609.25382 25237.18068 35769.27555 45827.43091 46801.2089 45175.40174 58110.36301 77126.91915 40332.84002 35512.25858 33591.41934 44153.45213 25511.71982 47325.15507 27907.78878 62757.89981 66033.3356 64924.91529 34428.80343 58763.0732 31405.33122 41769.95757 41920.38836 35335.17865 38909.57444 84881.74199 44751.28906 50045.88052 41310.65533 33634.09693 34982.23777 54756.05708 41655.73207 28681.93082 36880.75429 33278.31832 51655.04198 59612.97347 32133.39561 43588.26917 33088.25487 42729.15361 38130.77704 38206.5542 29659.81174 49763.89274 37260.8119 46045.09577 35850.88616 32522.42967 35574.68187 51314.06893 40469.66166 57911.52415 O-Glutaryl-L-Carnitine 33547.24323 NA 1952.148327 31924.31348 NA NA 68100.41281 68002.43501 64540.14594 67355.4353 71903.06188 71738.02901 65943.35186 75537.57105 67643.76835 68362.64019 66252.12774 73173.94106 65851.78114 66368.78818 69924.41982 67723.57626 78526.10006 81181.68862 78732.34459 68349.06413 54756.16816 49081.16354 41528.83206 20999.14065 44629.46324 41973.28285 42762.11287 65106.28598 44145.06147 65869.21198 58647.80671 78513.68979 56281.73906 42599.13365 89020.74884 65638.17198 126493.8896 71249.22345 62739.15164 56608.50438 80073.83071 65463.06782 74536.53661 31011.32789 25557.85398 33333.13854 46231.8368 69726.41622 66286.31686 13565.22316 31214.44696 57088.50779 59682.94914 59606.82318 24334.63257 58199.82196 83117.16529 21846.29312 22303.27482 51215.53447 40401.58857 55707.13473 25134.09851 59142.46754 32035.00233 81169.05152 31716.64391 84980.78115 82851.28511 30142.97129 33210.23562 76827.4362 45250.59715 35891.66531 32830.89264 54251.90565 31175.24066 40805.18486 26409.89456 25582.02796 34469.46666 22527.2045 56103.98321 37605.87682 38930.13571 62352.36807 23511.18684 38022.50596 26944.24119 43144.54151 42224.6867 33733.56088 74444.28123 59921.38352 41479.06013 25219.142 55375.01962 41425.19989 8376.200443 85780.62045 19801.87104 39711.60026 42126.09826 33229.70242 45501.24188 18300.63571 74526.30419 65835.91079 16653.02368 37200.75458 19564.87593 38629.81052 83514.26845 47143.53451 20135.83502 79501.04388 125203.1589 34385.18143 68162.90712 44646.47012 87941.07672 127399.4005 58460.04998 28336.52919 82662.214 22170.21093 61585.5674 21288.44937 36964.58356 48447.50539 78059.29817 123973.6799 85242.43316 98180.30942 81591.1457 28227.17217 73401.17549 60177.32903 39837.35051 56903.65778 56866.67047 65574.00718 28657.34215 35899.33913 57999.23088 50082.91999 37295.46189 61292.54215 35592.14855 60817.42462 51741.03159 46757.29136 45291.08033 86665.87961 37530.89069 47013.70267 40319.23819 61335.6985 166772.4506 215673.4293 78034.0755 93134.85798 68275.57139 51458.98045 61529.72506 63799.76315 73341.93605 36210.99966 48661.61472 86727.6041 93300.24098 57582.68614 78964.93943 63935.23255 70386.89661 53960.60184 50603.42163 80494.96094 48226.91953 41489.31336 84304.75693 P-Octopamine NA NA NA NA NA NA 187368.9694 209014.06 206106.4095 202408.1455 206855.4813 197087.5537 195332.1174 197726.0967 187472.9602 192327.6247 189318.3367 216551.9979 196523.5048 173841.1771 188345.0369 161473.3723 173690.9115 199859.1154 200243.5112 183636.1735 147012.9482 148412.2477 116101.7784 126087.3015 132150.2306 118617.6761 120879.076 131809.8662 124301.4499 100077.4915 109793.2494 151643.9136 153061.1288 176833.7174 230859.1767 178340.6287 186269.8195 286447.1861 363164.6357 263041.2728 163422.5965 168937.5052 135719.799 217224.1425 220202.0672 226173.5745 198702.178 201888.1002 161963.9067 177500.1378 177536.4282 195725.8743 195506.9421 205248.0837 207172.3745 265375.8216 280927.1777 287929.1859 178173.7913 155275.9779 157570.7959 199161.9111 220812.8698 213248.0714 144824.905 189934.5747 195231.3438 237018.4961 232312.4049 249517.7422 253157.0459 209450.8953 205145.2206 374314.8621 43345.37841 273012.8645 187529.6916 172745.6214 200000.7796 164297.1507 148654.4825 159257.2229 211449.3372 189086.7641 216801.9191 265578.2907 267681.347 280598.7355 291853.1463 228404.8327 251774.3023 176888.4865 158776.8544 127857.894 225532.3856 229384.938 223911.2047 161560.3391 167914.9765 146007.0314 107097.1096 108004.2998 130429.5375 161077.6728 191703.3268 179592.549 198977.3749 206504.1434 227350.0164 243249.6165 243262.4526 286949.6082 199604.5642 170646.9115 168818.4133 383827.3702 371941.4066 481460.7978 233528.4804 176360.4675 168201.6928 136050.7515 147151.4244 153023.5401 294085.0167 337039.3755 285074.2902 159797.7745 137336.8051 134843.7697 282744.5203 200533.6274 193318.9438 199684.9885 210681.5746 297886.9851 157501.4395 137452.5133 168771.4584 152707.3833 289647.2651 155478.5347 167126.8628 180111.9133 162391.5443 156112.3239 187886.0905 154239.3641 123492.6965 118091.262 120688.1224 211102.6313 254646.3628 212593.9748 139173.2423 129986.4427 130311.1569 185233.6046 196193.2922 186008.7414 170879.9712 192780.0126 228466.026 204776.9795 163781.6228 204794.2571 176227.9916 206795.653 173095.5693 153898.9766 135142.7565 159631.9602 152415.8974 188881.4891 163034.6397 173741.8464 211157.4141 185288.3033 233633.5657 335556.5864 255860.4354 Quinate NA NA NA NA NA NA NA 23847.38247 14290.12408 19040.85499 19242.83197 16694.89955 19455.91787 12957.57644 18171.09954 18212.4195 17336.23937 21562.18931 17830.71011 28881.78989 NA 15322.73622 19141.66882 18344.22709 21018.23966 6644.075724 34228.86112 36008.56177 46763.21091 7310.828275 37291.89204 1417.403704 26945.21631 32300.74046 3273.799473 42253.64478 21807.62353 13832.72888 NA 7452.622596 4704.236298 20207.96013 36041.31284 36983.13425 3591.941873 10639.74131 27737.41641 2093.59087 21845.04832 34911.08783 3120.271597 69140.36193 2784.188671 34501.63915 11754.94048 4387.75743 27133.12583 35746.44474 NA 31610.73722 NA 17676.53157 24790.74713 2938.871201 NA NA NA NA NA NA 30197.93376 26218.07244 3106.765481 21915.8664 29909.66476 4346.907293 9888.378627 28903.40301 39627.29556 3207.431863 47455.35019 44477.98229 36761.0864 66282.31759 2150.37253 47588.14916 45755.17108 5746.492352 43659.12919 35946.40847 3535.785936 25509.63188 2253.275848 27507.47804 6557.510137 20871.49843 27810.93914 3723.780928 24143.2053 26552.03897 47145.69607 2983.240942 51329.54237 22047.80798 1761.930966 44187.99733 2153.338426 31857.61984 28559.58948 17615.68416 25172.09043 2687.184056 35451.64442 24243.61186 4495.988996 33944.15331 4649.544724 45026.61929 13946.18422 29447.59016 4266.10539 19969.49498 21153.37308 1546.457893 3119.039945 22934.75121 23454.09168 34779.21248 34006.68318 NA 18600.77409 4505.295855 13778.18957 NA 34434.02762 32698.09059 3381.055772 17534.19403 19816.45579 22707.32929 22746.34134 NA 4621.438043 19850.60416 5358.339114 15548.16715 3098.876822 33679.04906 28441.09392 10606.01976 NA 24460.02472 2778.617135 28131.86702 3717.844966 29134.76827 23260.82476 39944.85703 7463.196923 34581.1742 45646.28847 NA 2399.737476 15057.53149 2594.482445 NA NA 20741.47694 4955.251477 28686.14347 15045.21855 3802.125844 22278.50945 4354.619379 31763.68068 23346.0546 27357.00228 6103.615873 33691.55587 6454.795101 NA 17233.49515 NA NA 15010.16837 5388.294646 NA Methyl galactoside 10051.33824 25387.52759 28734.55587 12037.25397 9281.182852 6521.656534 NA NA NA NA NA NA 3296.991387 9304.139541 NA 6330.181772 2925.100453 7139.261348 NA 5580.558503 8641.332853 NA NA NA 5425.05578 NA NA 5397.414145 33483.65926 87282.39117 30567.45322 NA NA NA NA NA NA NA 8710.274867 NA NA NA NA NA NA NA 2394.079867 NA NA NA NA NA NA 6439.812736 NA NA NA 9821.153588 NA 15270.53552 NA NA 13327.45692 NA NA 9385.822298 NA NA NA 13620.86863 9328.559141 NA NA NA 14436.00726 NA NA NA 8043.822216 NA NA NA 12087.93473 NA NA NA 6400.468713 NA 7509.807623 NA NA NA NA 7784.78542 NA NA 9255.859571 NA 3896.899457 NA NA NA 24100.04786 NA NA NA NA 12714.27513 NA NA 8881.097646 NA 9912.614789 4182.463977 NA NA NA NA NA 9784.906976 NA 16114.26945 NA 4804.400707 NA 10744.34667 12936.5603 23724.49711 NA NA 15557.98691 NA NA NA NA 15846.08217 NA NA 6501.812046 NA NA NA NA 24562.86332 NA 8031.976374 NA NA NA NA 7379.99148 6862.135034 NA NA NA NA 8840.123803 8083.292615 NA NA NA 9070.532104 NA NA NA NA 8729.881325 NA NA 4537.225823 NA NA 9721.029923 NA NA 17068.12144 NA NA NA NA 10395.81748 NA NA NA NA 5446.723118 NA N-Acetylalanine NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 451599.3465 NA NA NA NA NA NA NA NA NA NA NA NA 212029.4817 NA NA NA NA NA NA NA 182609.1826 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 583025.36 NA NA NA NA NA NA NA NA NA NA NA NA 11158.02534 NA NA NA NA NA Ophthalmate NA NA NA NA NA NA 43616.27137 39793.56806 44255.48987 43442.07846 46628.38662 44883.15555 42985.42783 44033.58382 42705.23162 41328.90121 40732.82922 46249.6243 42385.74071 39839.77986 45428.06423 46988.27922 47965.40453 47489.98405 49912.58051 NA 123238.8665 148318.1405 27837.67535 2386.967692 41420.50346 NA 59844.56158 56765.3944 NA 53284.14781 66798.94482 93493.1999 101629.2089 2181.443754 1074.911872 64965.30581 40491.12237 102536.9615 NA 107639.0175 42260.93221 NA 94181.23961 65514.50092 1087.921762 68047.94985 NA 73851.37279 75159.93083 1573.383123 35917.13544 38625.93054 92648.60334 83859.27018 NA 33657.22741 38218.83747 1867.053195 NA 63427.42542 71949.72475 70015.45126 NA 87331.34181 67790.64433 31830.73279 NA 45416.69532 60718.42681 1401.32189 2138.546884 74418.28938 78808.16239 9466.249958 13390.54148 58941.67461 67783.50286 63424.76732 NA 56409.37744 65980.98306 1680.362542 114415.133 105821.0105 NA 53564.79156 1048.401401 43511.06388 NA 97799.83224 104481.1237 1788.074624 53679.48675 94655.25263 69732.35359 1028.167915 65305.51656 44213.37573 NA 31442.96481 NA 28231.40984 12573.53786 109355.8388 117465.4459 1290.400773 57803.27437 43200.37556 NA 60988.1692 3192.736774 41060.18516 48450.77168 115721.664 2014.212413 153435.5654 132291.4931 2393.740297 NA 154937.5407 63239.87858 63089.17587 41412.04154 NA 94654.76555 1759.660975 81285.11629 NA 51251.00236 72303.55415 1545.793312 76345.82097 97490.8861 52808.7136 82455.62797 2098.337715 12693.49375 116551.9737 1579.464533 54723.7187 NA 67060.07823 175350.5409 2546.469879 164409.8455 207472.6306 5598.137792 166366.4925 NA 35107.10759 38614.09399 96314.16914 NA 88106.47767 28082.7545 36587.15322 NA 82683.31428 1327.601911 44722.77674 221453.7454 100562.8297 NA 44929.13128 39469.23364 NA 149232.336 1003.823372 118752.3561 301070.0632 302697.8912 1138.483857 40407.30683 2022.297935 53999.47368 113168.0093 NA 48301.58667 102876.9953 NA 66064.09739 Uracil 5-carboxylate NA NA NA NA NA NA 18695.20479 15560.26633 15497.82684 25188.59699 15474.84199 16347.20009 17728.78799 16691.9786 18456.11575 16058.61736 15485.33561 26747.52924 18487.97111 19217.64169 14258.17893 15463.96446 12594.79149 15090.93187 16187.90856 13868.76649 32240.4236 29026.60307 25762.65338 13416.85282 24860.61046 10028.09942 24911.06519 30027.41266 10363.33409 27876.7343 23570.2254 27254.74932 19710.14133 12567.80149 16407.70202 23838.8257 24158.7941 19906.97935 9646.530953 20360.58025 29038.4169 20883.18341 32522.64716 28271.23143 11479.94799 26606.12736 10368.95561 24889.33443 26601.3032 16370.16898 22915.63173 28122.28493 37644.63173 23267.46591 14215.86226 26516.45853 16024.3821 12468.02841 10504.35271 29169.75326 25388.74251 28357.67306 16844.85814 22976.09481 20615.91896 19369.9029 16512.63678 23292.59159 27733.35878 14877.58655 13132.50394 33114.77299 21811.81403 13947.43058 15457.56653 31738.32457 24740.75298 27627.61972 13689.79764 36416.23002 31459.24382 10492.54938 19200.87084 24881.43473 18817.20014 38047.65328 14061.75264 5879.174875 18833.84793 31573.89456 17455.5094 13341.47068 2589.503244 23305.12958 25333.97386 19366.79803 4706.933356 32912.8065 16901.33277 3444.459537 18036.82476 25982.78737 3373.936269 22928.67898 12594.17951 16447.89264 16568.39151 26620.63055 18155.10104 11032.81838 20310.90988 13844.90845 10554.59908 37918.1848 17829.64922 23002.51939 36216.66963 15626.11054 15439.04886 29386.52954 26084.35707 49008.56555 45377.20401 12387.71152 25149.15962 10119.62779 22443.05917 18304.2792 17791.72389 22997.8217 15798.19667 16612.92288 19572.50838 20933.55407 39723.83284 13057.46209 13797.52529 27539.76448 10728.63847 28850.02659 3898.299868 33755.57324 30082.54457 15763.99676 29147.19232 26140.35249 16411.04767 33524.05775 15962.14785 24964.92916 18225.69407 23666.24348 12464.75157 30634.5934 20011.4836 20247.04807 9829.419676 17766.59782 12551.15223 22902.21206 18672.36336 15225.39648 12655.31915 22189.40127 31129.7417 15677.6143 23940.60832 14259.60914 18278.019 20138.24786 24375.74855 13860.39273 26819.98221 13540.41137 21555.41484 30878.87776 13763.18939 13341.36664 22618.97988 15683.14161 37115.70324 2-Thioxothiazolidine-4-carboxylic 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 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5229.58832 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 4049.04888 1704.059537 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3,4-Dihydroxyphenylglycol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 85437.96905 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5674.617915 NA NA NA NA NA NA NA NA NA NA NA NA NA 7452.133262 NA NA NA NA NA NA NA NA NA NA NA O-Propionyl-L-carnitine NA NA NA NA NA NA 42030.34677 36648.17264 44466.54691 34645.37406 48847.36797 46690.14113 34711.14569 36119.93392 40587.92206 NA 40131.85942 36235.25638 41934.35415 NA 43830.89421 32635.06401 NA NA 48104.49182 NA NA NA NA 19455.88046 NA 18488.74216 NA NA 16579.86086 NA 42896.56113 44473.45082 NA 11805.24763 14447.16794 NA NA NA 18337.16577 NA NA 19742.28546 70053.28647 NA 22519.02546 NA NA NA NA 16991.60913 NA NA 59692.70796 40154.45764 17327.11044 NA 16992.7079 14801.15449 16845.79368 NA NA 33011.26461 9591.890043 24445.28107 NA NA 11637.83318 NA NA NA 16132.28186 NA 26767.29654 17877.37251 53281.76803 42937.22975 37204.01254 54592.36793 11440.53777 59094.04838 72683.08253 23127.11656 NA 43676.19275 11230.92751 39561.38136 16633.49754 21956.59638 13726.85177 NA NA 17139.29625 15240.25647 NA 52764.28236 15305.69245 31224.30679 NA NA NA 24190.06586 NA 10350.05799 24701.26595 25310.82281 16571.11003 NA NA NA 14307.11929 24260.55383 NA NA 33796.65931 14266.14331 36406.79679 63586.90283 17295.6213 22253.80823 NA 17859.42658 25567.51965 NA 7604.226309 62519.05092 14746.72735 51255.80523 14053.21183 38925.89374 NA 14743.91737 NA NA 59144.46683 NA 23038.99289 25918.16909 NA 27721.67846 70879.63409 20065.59347 103556.6772 55528.10121 28656.75668 52822.89067 NA 11939.32 NA 18892.74638 NA NA 56358.99097 13774.90373 38426.10094 NA NA 11417.37915 41525.12835 20595.81946 34841.42791 71031.09304 42904.44385 21526.78655 NA 39273.49271 35181.70971 32390.80027 21956.83773 NA 49984.79347 72451.51295 NA NA NA NA 64243.79121 NA 34676.61254 NA 29559.94747 NA 3-amino-4-hydroxybenzoate NA NA NA NA NA NA 42972.83175 40486.85382 52756.26977 56665.04085 39871.0458 38061.8665 57270.3437 43769.86423 45302.91356 35826.46375 64371.51435 56838.05385 48587.95539 43494.4792 42434.36669 45983.76295 40503.78868 50091.34513 60427.21794 43251.00776 53444.26971 64861.57547 65048.53992 41138.98861 43693.43132 42209.5063 29385.5247 81940.23594 44857.43246 NA 24798.44826 22436.24328 25915.43719 48266.95431 57581.54293 NA NA 33502.91006 65603.40113 22438.26857 38925.29662 52222.9487 NA 32465.19931 35690.54772 57152.82003 40485.88574 43485.81063 36445.85008 50274.53954 27496.80727 42841.92334 42604.30252 41299.41516 51230.80521 NA 23021.50361 42252.65903 28909.95009 36411.64659 NA NA 33631.40292 40093.17554 18523.79009 32478.47116 32278.07451 34923.96441 29014.60416 35531.61363 34176.66708 NA NA 94851.34466 NA NA NA NA 32457.23303 NA NA 63254.14309 NA NA 40691.37803 NA 44598.25713 56390.64248 38297.62168 NA NA 45887.62569 22718.36294 NA NA 41128.85811 NA NA 39197.88217 28163.72178 43416.5162 NA 42580.98109 NA 39553.24294 42062.05667 25295.70277 37184.17979 39008.9868 26840.95468 35464.37235 34071.44847 NA NA 62173.51646 22824.43662 38882.91428 NA 47649.84038 28425.58515 25336.69935 25239.64501 46115.23541 16602.43181 54658.71359 63393.37808 40557.8064 41276.79499 NA 41778.03436 55279.36485 NA 26604.70143 38144.13011 NA 38829.40364 39922.34303 26710.01855 38933.95592 NA 94013.91603 NA 42061.5827 39924.22956 45453.28227 40341.45008 32279.10958 43584.49465 58895.66561 36242.37367 31634.72804 32383.7256 55096.88453 23536.79754 46178.29006 35610.26767 39270.64006 42855.0108 34600.76748 42574.54301 39805.91215 67278.87215 73781.05033 30148.28039 46020.97081 71491.76809 32465.03826 45358.00793 47926.63796 NA NA 53006.2467 28478.4068 58841.15179 26753.72534 61859.61513 43923.00908 53853.30538 37277.25464 51876.21606 39515.67089 Trans-3-hydroxycotinine NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 23585.11903 18204.28331 37179.07819 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 62013.33935 47689.16994 23089.01235 NA NA NA NA NA NA NA NA NA NA NA NA 12059.94896 21951.06807 7728.249663 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 45801.78851 85621.0198 59595.2122 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 30823.71341 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 75040.02314 99603.90975 68347.76609 NA NA NA NA NA NA NA NA NA NA NA NA 30110.81796 43549.38542 75396.71044 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA O-Butyryl-L-carnitine NA NA NA NA NA NA 161421.0006 149511.7062 165071.2457 174583.2197 167735.4971 161970.2895 180273.2156 173602.5544 152035.331 167646.053 148698.9075 165767.2622 163928.9158 141996.1053 157335.9397 141143.4702 148591.0125 168990.9991 172576.4985 20273.54614 34044.18475 32983.58253 10254.71669 31398.08748 17953.237 30835.59835 25457.94113 13687.68437 29166.25587 36792.03057 26519.85546 15213.83223 24532.05574 33607.13586 19427.01933 16286.43618 24278.15875 14665.47812 19426.45976 13969.74531 16579.92857 33867.50844 25775.32532 15103.54943 20427.31773 10365.67248 18003.39401 15156.30793 20704.69566 20335.45988 5570.770806 3897.965427 39838.59395 18875.65623 20367.09935 17479.76041 4573.364548 11345.86 14563.17433 12790.33681 13025.81247 18716.19612 6405.80626 11021.54906 9135.104675 6742.406367 8217.24894 4741.214681 7372.894049 20561.94423 22615.80207 14528.1639 17357.33992 24065.9811 16345.64835 23171.39056 9766.603245 10848.02712 12042.07316 16839.16707 18506.34991 29182.08906 13242.60765 20995.91714 15264.89702 20318.70706 18598.96464 13405.12884 19165.41518 14626.74907 13544.22359 20395.59796 3843.826642 15144.97498 13271.94072 8655.785317 9810.252147 9668.755414 9698.282786 4612.748941 38949.81266 14336.62356 6225.166653 10680.00547 8026.312979 15962.22871 6992.319172 6081.27865 10994.66459 7210.192169 28953.13819 5001.090671 5733.996503 18284.45769 44691.58221 15676.63962 30457.89504 19381.27975 20873.88293 13580.26452 30546.70434 11134.84767 10896.07324 7544.002522 17437.42764 26485.57696 20444.11561 11916.44896 16711.54523 7381.117275 13087.60195 10626.07639 8359.86878 14240.06838 10321.00819 13125.14769 60017.66609 25082.24162 40660.65687 21635.98487 47470.62423 32331.23769 44316.29323 35473.9778 27730.20687 23555.53082 18358.08967 17969.20825 15836.85958 13822.6662 7576.135022 12530.91984 19196.04293 12755.55486 16277.5844 18336.33037 42251.14373 17944.57194 26102.30137 40508.29074 34779.7038 52650.07321 31542.6418 13912.58165 7659.551123 30366.92194 13061.20836 20920.26939 6841.592204 21685.98168 39913.25901 35686.69539 11989.45686 18914.41437 13027.08157 22982.50938 13421.62771 21616.50484 19104.25491 47442.65395 37994.73762 Indoleacetaldehyde NA NA NA NA NA NA 76232.29075 81156.70107 74554.29983 89730.21577 77258.42423 70276.59508 82258.13192 75754.32577 57999.25754 61045.76411 69254.75319 84862.23344 72094.16711 67347.51514 74549.06614 51949.51761 60296.8033 76102.53696 68900.34096 92249.50011 60027.24566 58303.23349 76623.12687 131093.0597 52203.26762 81474.95792 30323.94333 56806.25801 69189.69744 51018.32471 24892.53983 80729.76754 49986.65979 126768.5509 105896.0487 36070.7263 70127.55665 75661.42536 99967.24002 40050.3064 56289.74674 103184.8881 42649.77736 31680.50372 110282.455 67411.44384 78515.4518 25746.16736 25247.69867 103920.2399 76370.4725 39949.10726 71801.1101 37356.9531 102637.122 64284.05242 31532.55393 75643.38652 91953.58745 28810.85824 53567.99215 51016.77353 56201.18278 33859.46204 21280.0164 42337.16047 67304.32614 60823.91123 31392.09897 77107.68235 74097.85664 58734.6901 36464.71306 104150.624 39213.90774 69583.75281 32164.02117 53566.86026 70443.68023 51176.56868 34244.42795 85321.76734 37545.81605 67099.12601 77213.7094 60569.72706 99030.99536 44367.30998 79980.23247 39819.77143 27024.84952 86284.06635 30594.15326 41227.58647 69576.26725 76418.88348 22646.71499 40880.21953 83138.65254 10526.9359 80201.71779 32632.4655 31187.61364 32826.86967 26726.86504 56746.73713 33210.73721 50477.95824 76510.18247 31098.46037 84337.63788 36688.40771 38474.79576 28338.38221 71741.03516 42134.17234 73655.33677 81447.31519 102673.999 34785.27893 72532.93482 34120.11238 69407.16891 72811.02385 41343.55172 106294.5147 80791.10164 85970.45685 60436.27589 17250.76977 82929.07197 82005.01148 34426.07181 34620.87416 45615.71039 99949.18262 69563.11335 26828.52346 85773.13963 32545.84988 138848.6017 57639.21355 33823.38253 47722.54889 16845.77272 31128.07749 42850.52023 38689.93604 74832.94751 47479.70511 20027.8679 39681.58559 107349.6086 59515.65036 60160.32634 22931.80612 67788.03997 21124.08146 55617.39902 70314.20991 41608.28276 87522.68721 103598.0277 46376.30065 75159.72728 121597.8375 35740.90865 84355.69017 57072.18535 28379.34823 40355.5004 52907.77659 40678.97984 70447.3208 18750.4118 38788.26982 74156.3655 72189.50158 41782.93521 132342.1645 75840.42933 Tryptamine NA NA NA NA NA NA 322389.3502 311215.1811 362410.3923 361131.6768 378491.2317 334158.625 340769.8561 327100.6549 292050.7696 299509.193 249114.3897 326466.5202 311378.1937 239496.8858 306350.7802 166261.1278 220404.2314 271570.0439 302863.8079 382788.1296 226525.9947 255254.1165 317972.3303 588639.582 272719.5746 328136.1203 159699.3737 288601.4379 290517.4028 216785.2399 144678.6567 346516.802 234921.9753 560614.5443 473056.0124 195053.0947 347328.3078 466784.439 552435.9415 215038.0134 255235.4945 464400.9699 168007.671 196722.7618 501427.6988 292759.7794 341191.0967 187160.3298 127164.7703 514268.3983 299130.7039 170395.1655 271237.7072 195939.0174 516759.0986 291314.6123 165784.7393 306276.1703 414475.3549 159278.3855 248056.7827 230950.1023 232597.2419 166583.421 144185.415 198877.8619 275944.6825 246995.8382 187727.4397 358413.517 330584.4784 215815.8185 151443.0971 543038.1917 195882.1891 319612.0896 177989.4023 205771.7409 320093.6449 255418.9524 164638.9586 425046.9784 156789.0599 229214.7566 300430.9844 271280.4955 455443.7327 181053.2589 332905.9189 153276.1033 105110.455 365614.0726 153415.6132 158184.9974 272238.5156 347567.6889 147733.941 178060.3932 317652.9485 96127.56273 379106.3763 159482.9771 149056.4961 130159.3508 125310.002 243980.9403 153671.6021 209604.0203 290339.4583 119156.3895 490367.6423 137041.9584 139091.5249 100253.9805 289289.9709 191191.4205 331799.6054 330217.5065 432916.3841 123798.0695 288909.5427 192618.1551 277010.8645 313843.944 218447.1714 480818.9324 270711.5941 349331.9478 226454.9261 111291.174 394423.4021 279316.976 145673.5378 157739.8498 142201.4349 421744.4714 313934.8802 120885.7899 304565.5401 142871.4007 776643.7805 198310.4814 157157.8836 197587.8341 88723.64011 124956.3139 159133.8676 120027.6854 252772.1722 152391.0463 84910.70911 153565.4267 418585.218 205554.177 218591.5215 102782.165 243743.8295 95465.16093 175142.837 243575.5948 165911.2413 328395.142 389626.0746 202628.4445 231728.7182 522381.6214 129108.1879 332102.1513 181392.6176 126622.1495 162235.9325 196891.9813 144438.7921 239968.9411 102848.3815 173634.2573 275862.5516 272137.1934 162644.3163 686525.8941 300487.261 3-Hydroxyanthranilic acid NA NA NA NA NA NA NA 15868.52777 12886.68633 26721.08128 27909.94354 27781.60491 19361.9676 25958.63978 19796.61975 23760.83076 18744.53719 26484.42962 24821.99597 24627.8812 19637.28766 19700.02388 26202.28952 25823.14726 16726.15474 NA NA NA 29558.16899 16017.40742 15466.41662 31251.93987 12811.49804 20071.07895 NA NA NA 16395.11545 16452.90296 16789.4686 32204.55247 19225.15539 21937.67775 25413.15046 24136.87161 11603.62141 15284.39175 31931.94912 24077.53924 28463.66851 75179.55901 34230.05581 20260.12343 17856.19717 11072.57764 36391.73249 24144.74516 17277.52454 24894.91032 12740.91919 20313.82196 26852.09945 16322.5606 20349.76758 31400.73545 13709.91809 18083.62407 23610.17304 25430.53408 8190.856662 NA NA NA 18979.53771 25831.72393 42728.56714 NA 12524.49973 NA 60686.32908 33958.9149 60082.13487 NA NA NA NA 19487.74854 32395.32349 19983.99538 39003.8742 26340.95235 21214.88698 32504.21161 19444.24889 14487.2111 13003.47884 NA NA NA NA NA 20041.41876 NA 11467.8918 NA NA 17409.39111 NA 20059.13045 27844.04503 16204.77504 37037.44754 8018.669583 NA NA 9058.225784 42722.54622 25155.89695 44555.54318 26602.60506 42601.98141 33592.30602 55305.88353 59139.90535 27671.87587 16315.77006 20938.19974 NA 17523.56138 15866.93022 17300.09676 29582.2557 29088.10541 16773.93767 NA NA 22376.53865 17123.33171 11285.70258 NA 13471.29354 11645.60293 50237.63939 22277.21728 43414.06536 17424.03266 65125.59977 21990.9465 49173.6337 45280.01318 19615.11265 26235.66271 21448.75263 22527.28509 20581.10758 12659.56147 11768.86601 28568.01938 26441.11893 17790.32569 NA NA NA NA NA 24355.15306 17434.85275 22708.99476 20732.49989 NA 18653.73222 21371.90792 NA 21314.2824 15023.8531 21655.98727 25350.77351 35624.94201 34495.01796 39917.06586 25137.69305 17809.76566 24892.55719 29152.10156 18466.62631 35053.33693 28546.13569 Acetaminophen NA NA NA NA NA NA 206364.887 277947.0191 211341.653 266867.6067 252409.7271 224143.1634 235089.7885 145135.8438 226556.6496 240147.5 222266.8142 216622.0928 266370.2179 184012.4424 203600.084 158860.2257 236067.0817 292550.9089 267611.901 1309176.211 1033381.515 454570.376 158857.6615 243732.7487 61332.34606 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 26322.10258 NA NA NA NA 296824.0349 140196.6028 109852.0874 NA NA NA NA NA NA 102730.2303 69350.09903 101504.4954 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 84234.72925 34641.4278 77445.32389 NA NA NA NA NA NA NA NA NA NA NA NA 21995.08606 27356.92811 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 36825.85662 NA NA NA NA NA 73980.70371 118134.6468 127335.1129 196430.1469 97012.89307 42872.17659 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 28777.32163 NA NA NA NA NA NA NA NA NA 5225673.215 10106492.18 11669448.3 NA NA NA Cotinine NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 48439.86948 105933.1399 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 151009.6034 206269.9899 401866.1553 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 420764.2079 196462.0083 331432.2695 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 594470.2743 NA NA NA NA NA NA NA NA NA NA NA NA NA 245235.9274 555903.3857 559708.5944 NA NA NA NA NA 55380.37563 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA O-Isovaleryl-L-carnitine NA NA NA NA NA NA 165154.2312 176938.9628 185345.8682 183294.7628 182249.9176 157142.6631 170995.2884 175285.3468 158174.7289 161385.6828 177187.1791 187325.015 181346.9985 168740.4826 193377.682 145563.976 159878.3628 183886.0853 189604.7672 157614.7241 170725.2876 192717.0811 127805.8441 110945.5243 83010.25374 172906.5757 133522.0737 216768.4198 131476.3831 195523.8178 123212.0121 164208.1538 120507.7032 148591.0387 127859.2578 78283.74679 123761.7072 232394.2669 223422.9758 106804.4639 167097.8838 150095.1193 130515.5029 124728.6857 277037.4197 194576.9509 93088.68588 63093.02403 63175.43991 89671.76019 79440.97642 47561.42384 197380.3135 125449.1765 130287.6662 87383.04619 60620.58317 117932.9963 124357.8866 94740.46177 97848.25166 92528.26526 49786.368 64330.71494 74100.66672 76501.82107 70098.17244 74891.04448 37303.39803 81820.41599 280257.9745 187419.2674 139345.7942 381115.508 316952.5366 291515.3343 74108.66602 118658.5009 65138.13765 147546.238 111189.5077 204959.3276 125771.6982 178462.778 145661.1555 139811.4697 171519.4035 93261.2528 202690.8813 111661.4186 78883.89488 156497.4287 77686.99869 130122.826 148898.697 65652.28471 88799.67872 80773.14217 109192.6938 49832.60765 152919.2608 66787.08911 53910.50115 76161.6043 63955.75859 132392.5017 44105.11544 71408.05342 75994.13106 99671.31538 325026.6058 85033.17363 112909.0907 78520.79679 160654.4857 122944.7683 238052.1395 211591.2886 124137.8453 82463.62632 124000.515 84344.27463 139007.5515 69984.04491 132602.8116 248606.4844 179595.3486 80200.45507 140676.8731 63472.97791 164687.2896 199401.4391 80053.31976 128200.3334 138269.9585 202316.3506 253318.7644 126424.2317 203155.7723 142836.6871 403815.963 222480.1529 267868.138 200616.804 162427.4485 144081.8094 134561.2717 181734.1176 141880.6292 97381.95371 59694.92083 81467.55916 117587.5413 113359.4605 62501.40835 44379.6943 64102.25807 97784.21177 169340.0394 241892.9145 186608.0568 272140.2441 255257.0031 181617.4561 212100.4136 363482.8263 86989.16451 152197.114 100958.1905 140399.6451 200090.7056 206827.9817 101910.2922 115758.6938 65709.42833 89186.25827 88127.71478 105899.23 126968.1907 314939.7843 201667.7202 5'-Deoxyadenosine NA NA NA NA NA NA 17354.39121 13719.47212 18901.09854 21819.87752 21835.96664 19111.03603 22994.36416 21605.91773 26967.95521 22583.85635 19860.49639 26322.14391 23044.38994 25486.70547 22579.45701 25002.20961 27043.50685 31968.22452 35685.72569 12711.14007 19913.45406 18259.99523 20888.41554 13108.98294 12196.70928 26305.0222 16911.82764 25735.30264 10367.76446 22141.39725 14942.1108 21532.48311 17350.96664 71111.14211 11016.13436 13254.01423 28049.57407 35680.84486 15535.88764 38474.6231 23269.69822 19409.6596 15531.94806 18007.25681 14159.05475 12267.9849 12600.54219 14660.33685 15125.88024 21236.41779 26500.48754 11451.04539 29486.06488 11588.7434 10450.91728 12503.76595 7889.427774 7218.535087 8569.569261 13016.9387 16375.78275 20987.33243 8252.557105 11393.78113 11418.37587 12246.27077 7873.948138 15244.94334 12674.38566 11061.93812 7869.509911 10917.16961 13609.74653 13081.10002 12901.04298 19104.4037 13185.18912 17791.94964 9405.907606 15524.77359 14749.94221 14421.21971 14335.7295 24716.86988 7192.771023 8822.381059 8850.845929 10285.1134 9643.459787 20178.49709 10476.72828 10407.93065 10385.52331 13180.3838 14590.14277 6527.454384 7863.562439 9145.467463 11816.00316 10213.53096 12174.07688 20030.56853 11480.94274 12323.63959 10764.57255 8641.840929 12365.82858 14507.76058 10678.84091 13693.5104 9385.738809 10755.70907 12236.72241 14774.30116 8570.412198 27698.46406 23930.34393 10541.7495 14589.4073 11682.10571 73764.1745 14664.27168 23418.97682 9270.932489 13191.06184 8348.22043 22972.92979 23778.88025 17430.94323 11087.39727 11792.94055 26102.4744 12537.85602 13566.76057 18698.54741 54451.69691 31104.35899 13920.91951 31177.63344 14874.20791 16065.36672 16640.49389 19428.00117 13902.47108 11389.46661 13538.08884 12116.75507 16285.83718 9689.642401 22537.4183 13585.95813 11154.69091 14590.56541 16785.4512 21471.13608 11364.59786 10351.50394 12050.78013 12983.90324 35704.06215 22610.72781 20347.79028 15319.71411 12506.67594 35637.69967 18175.13674 17010.3572 19606.14699 20643.74061 12036.88716 35183.13793 13523.13296 18646.38922 26327.78346 13529.61568 17192.55348 21370.10714 16172.10762 19589.33687 16456.40907 32207.97261 Hippurate NA NA NA NA NA NA 67121.59287 56142.83867 62824.77881 60477.25968 61611.92861 63838.53691 76998.88821 73266.60054 63120.13184 71545.68185 57963.2313 66489.55167 61729.29842 62586.42779 68362.86653 58174.70615 59433.97111 79970.01352 62963.50499 24664.78217 19893.96257 19746.69873 51194.95306 85187.45296 45879.14478 19200.95106 17362.9679 14805.49506 52254.22988 38580.2762 32105.33101 21534.43095 17148.98867 17140.69949 7926.809561 9600.319271 8726.050299 62467.05261 85269.66502 35644.96327 24221.86447 56353.30474 29287.14035 25550.3148 44139.92204 25373.62868 42184.08825 20628.95424 22927.22257 21084.72802 16761.25436 12852.14836 25146.31015 16674.76885 34449.46336 21639.76356 14160.21744 25273.14439 75569.05611 33001.12358 47069.97097 12669.03546 8488.660674 8671.783636 23713.69779 33396.70327 46577.76834 8476.368514 7244.751461 8302.521849 42032.76422 24359.39238 22748.88211 20945.8506 13819.86181 18615.8695 75501.04466 111310.8708 165327.4798 27007.15029 18841.77504 48274.70958 15600.28256 16404.55114 27688.88111 15360.60078 18045.36781 11763.47645 41404.18889 27761.15683 21823.4581 37139.96572 12184.03605 15936.46773 20381.60727 32189.8115 15968.00427 24126.61822 53804.17291 18814.4603 107816.1443 45658.59368 32133.40546 14095.381 11976.46854 20049.60726 19022.5545 24239.94894 32713.56547 18958.66205 76750.10423 25442.73084 46532.38578 34755.22321 104309.445 35951.7766 57118.5501 77155.68144 24098.882 14550.51511 16094.79128 13522.50884 13715.44062 24720.65209 11476.93527 25848.78914 27251.40358 14900.08741 13677.41859 8998.17608 19163.67114 18386.76402 14155.75813 31187.7704 26646.45366 26972.111 51246.0563 22142.24852 59755.76221 20158.19644 53239.41009 23388.66004 411636.518 757966.5191 317542.3002 27116.13051 35810.18865 22801.29911 109140.8183 80943.37425 42798.42115 26857.95611 59397.44307 34829.30438 14594.16059 11317.57259 17593.70248 16782.71031 23960.33179 16033.19229 27174.68732 61429.58239 82939.6965 14326.0155 17488.77461 24782.96305 43808.25308 86044.87386 66699.2023 35435.40225 58399.62619 90451.08782 66001.91545 98395.49159 39288.2895 14240.44736 17823.12156 19334.22987 95795.28964 215536.4851 130918.7917 Phenylacetylglutamine NA NA NA NA NA NA 294018.8363 307829.6039 368847.597 309087.2368 367204.0218 308636.6377 398209.51 373076.5787 315783.0369 358070.0823 341287.1192 378485.2219 352202.5348 329601.5819 417716.5693 305064.4892 325302.6964 386942.0608 368777.6331 301768.2314 163358.298 179222.7068 155377.7992 330123.9156 136683.1315 514682.7713 210663.1989 329794.7519 1162624.781 828363.8331 495303.9983 187054.9854 124152.9684 328341.5481 239281.1695 97814.46843 188689.7459 223186.5919 264260.5999 135259.3704 439864.3311 1066990.961 472525.3486 138897.9071 430462.0611 234269.6937 428149.3029 152299.7564 184019.4949 51436.26661 49251.44668 14512.6948 168510.3298 90495.56354 246866.6828 134374.0717 59388.58796 171330.3704 193501.0276 79285.53457 121804.9649 76313.72272 25277.83072 28645.29583 23204.90012 30085.48376 31500.72496 291226.5299 144163.6746 362615.7647 456595.2683 346667.7029 253855.4428 430841.5108 130540.5805 259003.2348 262232.8781 412014.5983 581576.3523 288448.8383 188147.8626 577673.9086 48597.10163 56623.61374 96847.97162 178845.5887 297538.2516 90436.01201 180050.855 113625.9233 66382.44262 393731.6946 87465.6325 171839.7963 236423.6953 240176.428 100139.9313 106210.9443 184036.0256 38171.33568 261779.881 75751.14319 33759.54776 85744.89785 57976.91959 207587.7548 73321.43543 81598.16309 143685.9435 123887.9155 710258.8436 118870.5281 198196.3466 213692.9412 684393.0119 177684.6726 259372.6968 275032.0549 662496.6827 207824.3915 506405.3441 19917.21111 60542.9553 267014.9412 228763.8993 679281.4456 315449.2233 158235.4172 126861.523 62891.14651 204265.0129 201004.0784 84601.70435 282734.6818 300711.6842 146550.9785 330967.8195 155900.2824 375389.4163 254340.1591 203137.5899 357708.4602 363367.2861 825027.2872 252683.8235 576052.1119 967426.7266 730920.3876 210981.2562 122388.3468 64426.00178 86258.36056 223115.3591 134584.5954 123506.2763 81861.95019 174646.0952 110329.5002 423020.9401 391450.6502 157297.1814 434447.5743 503377.7204 115539.4696 178156.6047 452812.0951 62753.98524 145890.3305 76133.31665 554239.9162 800780.2621 1370776.853 105940.2396 159427.4212 57859.76449 106537.0249 190468.4894 185353.3783 314795.6489 797451.6416 569556.6524 Pyroglutamic acid NA NA NA NA NA NA 24654.25402 33118.29217 37729.99472 24559.76746 18421.65545 24421.43612 25996.19204 30325.54893 31546.77696 26343.86729 16792.53951 31769.36236 28578.90126 24126.55388 24006.72409 31774.94163 27357.11852 33042.09259 31776.99726 NA NA 22808.2481 28304.9161 26949.56258 NA 43457.2056 NA 33993.43188 95518.56451 83676.1224 39221.13919 NA NA 26418.07118 38114.19353 NA NA 20979.04274 13539.2456 NA 36857.13346 89743.96431 39486.98842 19522.07421 24566.39764 NA 31348.98436 21460.13068 11337.93889 NA NA NA NA NA 22140.75375 NA NA NA NA NA NA NA NA NA NA NA NA 22141.17696 NA 29160.60443 36599.00244 27048.19732 17737.39778 30916.3915 19456.14749 28147.39364 26888.19175 34121.05863 49180.24031 14345.96251 NA 45742.45118 NA NA NA 17649.2505 28158.31007 NA NA NA NA 23015.02016 NA NA 15650.17151 18798.92951 12396.30938 NA 22446.70694 NA NA 33494.70924 NA NA NA 18203.81408 NA NA NA 10076.49806 44615.39115 7063.613926 15928.0992 15806.76949 49835.68837 18313.24023 34018.5097 18361.47748 54283.98532 25196.60911 35616.63806 NA NA 16509.80102 NA 43803.83708 32849.99362 NA NA NA NA 18749.57602 NA 37876.45829 24156.30505 NA 40008.31856 NA 31274.75846 34841.35247 NA 21910.72034 30166.46648 60417.19046 19536.21167 46728.93832 73738.24138 60435.54204 17926.0592 18897.1307 NA NA 23302.45249 NA 22638.97942 NA 14889.95642 NA 24515.97606 40640.48329 20919.15909 34557.64569 38725.89816 NA 23595.69761 26478.83711 NA NA NA 36815.06489 70619.61048 104362.9544 NA NA NA NA NA 19040.67242 31972.45761 45387.07367 51419.87777 Theobromine NA NA NA NA NA NA 402714.582 416178.9071 408041.0076 398408.5127 410037.3855 368108.7034 396160.0527 428628.5461 337328.2995 366121.5921 373205.9406 398150.346 370449.6128 333943.4248 373736.661 326766.9151 307455.2938 369977.3654 378995.2355 52395.21447 86464.89589 104456.9405 1211323.233 1507126.018 997185.8124 156620.9329 147332.0722 180524.5979 2164447.784 1946604.087 1523774.731 238452.76 249520.0353 292148.1026 444105.0163 332106.1304 389118.8001 410333.0704 404535.2273 253555.6601 NA 156697.626 148970.6709 143211.7869 175503.156 221585.4979 1443032.668 1002113.923 783619.2913 233509.5301 247365.5973 156183.2112 NA NA NA 238611.6856 131954.1021 239775.9659 696709.1041 439320.3703 577846.3277 154316.7094 115445.2525 109091.5687 165867.9289 182986.1092 217777.1072 113943.1124 110371.8982 154695.4237 2287194.468 1864260.867 1466859.195 473317.4242 291577.0712 364500.0158 NA NA NA 1763816.759 1225435.117 1874072.106 165517.1913 187624.7348 212227.2994 322721.3499 353604.9645 242489.1753 284755.8275 207387.548 137190.1705 84466.72598 114101.2477 80604.99539 546380.2605 617194.0363 302033.9789 772692.5247 797784.4768 451135.714 214877.3445 166340.2951 174753.5216 278514.9116 240007.4025 326654.3389 NA NA 40752.71936 2559052.27 4756938.955 3206673.276 190335.5644 134260.6649 153033.4924 NA NA NA 194891.1158 110200.4042 162442.9459 327266.804 492864.7732 NA 321015.0834 504217.79 488709.2448 87340.26874 58746.38479 55052.26292 321406.8888 343667.7477 229272.0742 902176.7766 1199888.267 894922.0672 159279.1105 121587.468 147591.8206 429660.5564 588643.8481 573907.7004 552778.6647 651938.653 363302.9611 264796.1599 282830.2842 288361.7101 NA NA NA 616916.1739 1057553.355 766482.8321 78063.01707 57663.59924 86183.47118 134515.5726 131910.8018 123008.662 440641.1297 727420.2939 644372.7839 NA NA 124642.6832 131929.078 112486.2767 98223.89998 170253.5856 199789.5225 176030.8194 418434.2667 537673.9016 260198.7267 331662.7236 400223.3132 422003.6204 91899.34675 214277.6579 181478.9751 Paraxanthine NA NA NA NA NA NA 625585.599 627553.0648 621205.5453 627159.9646 617903.2637 549236.9693 552785.2309 584534.1107 503320.4335 553499.5972 506317.7428 618058.3497 547938.8937 529804.9128 505941.9514 441359.6167 445832.2482 521810.0821 525837.3112 91323.98 84822.96283 60371.63588 2096062.973 2607787.577 1580849.855 266537.1177 168317.0319 282070.7055 221750.1548 219166.1123 134331.1161 494836.9491 360271.2038 606909.4666 579553.2924 327778.8929 559402.6335 1394091.833 1423137.401 869794.5711 43922.92165 277453.7616 179311.3476 NA 28504.42184 NA 221335.2172 150046.8151 115111.3929 760874.1663 691251.5065 465961.5442 NA NA NA 49271.35805 31535.19336 41819.93509 2025547.13 1141992.751 1545161.396 106435.1032 94519.80712 61474.61156 54360.75583 100804.0888 96373.51464 410768.6286 227028.4223 500224.0109 6483264.277 4893061.749 3618916.012 633261.6762 344291.8801 481891.609 33384.00678 45274.11041 23383.09267 622690.7022 359452.9277 711228.1075 104229.4052 159691.2568 193641.6953 901814.802 1212592.86 749569.7206 991583.4041 770311.0163 513702.876 271445.9473 311911.4669 171149.5947 1084605.413 1372254.085 651416.2843 397796.3447 420180.2253 228534.5182 693172.9617 484929.4711 655209.8716 31327.27922 26365.15083 NA NA NA NA 668304.9952 1199333.183 805162.0666 557818.7343 367665.9278 555025.5867 NA NA 23521.76895 711061.8303 329647.7685 590998.7201 17592.20811 30947.0539 NA 731502.5441 1066610.735 1051927.946 124023.5586 77770.27109 47151.09312 NA 58708.07752 25681.45231 76413.10568 139486.25 870578.5537 103960.9005 64570.97758 98297.34731 105816.3365 1580317.799 144123.0064 2888586.795 3677908.778 1928388.115 328870.9906 406488.1845 398101.4673 77433.26392 51990.0264 43995.36616 1459903.209 2732002.121 2021560.868 122214.292 67855.76974 142936.7088 NA NA NA 1172603.362 2112443.339 2134492.437 NA NA NA 277378.2734 451208.1768 388932.0728 173340.3558 219396.1155 288606.8698 1655362.668 2158512.719 980299.2421 62765.09745 67751.29893 44576.40649 452874.1744 938887.5818 742774.8242 Kynurenate NA NA NA NA NA NA 13522.80437 10893.23888 12951.84631 15359.44368 12326.60828 14035.90092 14051.57359 12334.02537 11568.51097 12333.60445 12869.59983 12439.29574 14500.56096 12659.96831 14499.41777 13472.2561 9690.623398 10580.44239 11891.16814 12590.19361 12461.18895 13844.18837 14506.80115 15944.37211 9909.045122 13930.27956 8251.196591 10779.25355 15054.40513 11945.54317 10281.52804 13846.07598 12535.40905 12041.49215 14739.74723 10195.95135 11710.28478 16927.57014 14161.36789 NA 16077.17627 18564.81464 16750.33099 6968.714767 17906.37999 10360.74892 9921.656844 11108.38882 28384.60273 15348.46677 17254.31469 11414.59966 9473.718735 NA 6212.606545 12381.17013 8108.83043 11770.88588 10144.495 7944.967495 11483.70941 16326.79766 NA NA NA 9094.258095 9933.332212 5774.959882 13864.79034 14815.29604 20223.63736 15590.68128 7508.905617 9778.206627 7953.494344 10547.37918 NA NA 8257.971875 8027.553546 NA 8626.557078 8109.696576 9947.532292 13423.04784 9325.691866 14321.14172 NA 11499.60976 7377.629803 9761.737031 9195.377416 8688.277693 7480.772754 9408.806889 10030.01792 7319.133744 4761.472837 NA NA 14726.22139 6134.684516 NA NA 5836.750972 12008.24577 8960.052208 11571.17115 9844.461385 6426.31532 14915.70658 NA 4658.569028 12799.35484 7812.083008 5508.594982 11401.30521 7125.773074 6293.779147 5427.628657 8434.870724 9928.181356 10594.83685 4908.157899 6294.432902 12171.65323 9097.854817 6929.835747 11151.10023 7117.196068 4418.887808 11159.10938 5933.556315 20020.41858 21946.57856 11966.13734 13125.82829 8947.475237 13439.17091 7541.3489 12160.39098 11348.54405 14714.96244 26227.25867 7345.968189 8262.343368 11778.76895 7879.030317 8666.162963 8941.400214 NA 10665.172 17261.84606 10775.74381 6378.167226 5972.986091 7203.908032 6250.464185 8250.641853 11788.29164 6724.298008 16098.38751 15021.20408 7951.837136 3853.209856 17594.43853 13505.83531 11356.72703 6899.012657 7495.454012 11405.65703 15514.31152 6997.171333 19510.59097 7116.004953 10046.9914 9841.855311 11159.00342 10422.40531 13809.91394 12018.4679 N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine NA NA NA NA NA NA 21847.68691 37958.90663 28542.73345 29257.83707 37880.64222 33465.06814 33841.45166 37901.32993 29547.74544 32487.82782 29017.47601 30603.46899 27481.40424 31221.81993 33827.2968 43021.34639 24487.03615 30811.17978 31983.32305 24875.21274 26599.93104 27099.65257 23725.76555 33710.69916 30602.48513 37297.28886 27600.4154 18407.90823 31294.98793 26837.96122 20903.20756 30684.06882 18694.23651 28251.64133 28701.24856 16676.17109 22978.44373 22472.46931 25528.0683 24201.58951 14027.97123 34178.63342 29395.89367 31168.49168 33334.64948 23120.46446 29407.05442 26542.01315 30217.40078 41840.86355 17335.69488 17095.05814 12198.55588 16437.51276 26002.5736 26620.89184 20004.40132 20875.83629 24232.95517 24924.94834 25753.00407 13249.38535 21801.22764 19830.68099 22598.30842 19931.83916 23104.50069 27726.86197 25400.95356 36358.26151 30899.73041 16727.18999 21035.76008 31210.14356 19292.53792 30062.87302 24811.1749 19340.41922 31760.68542 23596.06016 23102.48026 31183.4073 23510.15793 29348.90732 28346.83917 22795.73804 31089.18584 21758.99255 27063.64517 15283.6291 18241.21028 31302.40829 22130.11726 22389.09087 21261.71854 25016.51848 18223.47469 21955.6438 27042.91531 18780.61274 35970.86512 19469.93368 21745.59937 17636.8221 23450.50856 29910.87107 22454.40039 15646.3072 26733.36542 16409.49478 31601.89644 18964.00226 20927.40928 13668.97137 43697.30051 20632.26578 27163.10575 23992.57441 35132.9371 27202.46377 21725.27442 24421.2365 23151.7329 31581.17325 24884.38761 41515.05918 37468.96273 35580.31924 26904.78644 27481.74429 38361.35305 34857.51004 18860.24874 16445.14849 22670.45647 32101.8588 40592.05193 17604.91617 32432.96641 31616.48772 55802.4472 27567.29573 15882.28093 34753.68816 16240.1974 17141.91819 23976.84428 22604.32406 35140.89326 20483.56293 25232.62423 23631.00132 45394.9883 25734.48142 25536.84807 30950.08087 34898.4017 19053.40547 35732.80996 42011.52561 32006.5702 48198.7784 48611.69736 18877.45053 18270.1078 46458.82668 21772.84984 38049.43276 21884.07624 25361.06415 37049.84737 41972.38733 26003.63551 36552.15822 23197.42481 36505.94158 33951.56448 25553.34306 29269.45236 37566.44443 32348.49845 Methylthioadenosine NA NA NA NA NA NA 122159.2804 124871.2341 132185.8242 130508.0126 118599.2536 140363.5955 143664.7497 116651.6541 128845.9981 123320.1452 116435.299 132251.9559 138614.5142 117309.9374 125332.4489 108011.3767 97973.66303 115886.3748 133374.788 26124.63988 169174.9071 91776.86024 410438.8007 18720.75524 306956.2323 14777.27364 334346.709 272000.194 15427.33818 223714.5526 131810.5095 351182.9605 143750.7525 22109.74758 28900.03507 201579.2164 250713.891 193839.8157 25473.50799 107043.4882 196615.5694 13721.39716 175488.454 187495.3191 16390.27074 160388.7738 29293.55347 183860.0985 193610.4447 18389.58502 241616.0653 158088.451 257382.8375 193354.1162 16069.01646 140932.1123 45037.85362 23506.40823 27111.46334 217897.081 231569.9481 170669.304 10946.50101 76635.64587 65290.17952 131898.3142 7403.850927 385490.3578 255110.125 27322.59567 17500.61867 133777.3611 91705.47621 33985.96674 162401.2221 212438.9447 88248.75158 90289.21262 21468.42542 220628.2148 221297.8569 24891.13256 106539.6187 137003.6925 27549.47698 122610.708 25192.52626 75865.7273 25209.83573 113195.3104 94161.67492 14901.59929 98470.65513 201569.7096 122668.3896 11703.77739 112459.7781 220204.6177 20247.82371 176410.6586 11063.05153 384431.09 133454.1971 109164.9915 69618.52766 20104.33846 142645.8743 206577.7301 14410.65415 426182.5976 17071.00879 186784.5021 271734.3464 157607.556 16737.61205 85872.14458 82402.2128 19094.62903 34528.479 81351.49115 169672.3223 177435.626 241298.2045 9712.884211 75704.20516 22883.88036 83092.93813 16984.73131 139396.9044 73608.06971 17430.11263 143164.32 72281.10097 353355.0936 187740.3871 23356.43334 101426.9686 87831.538 31975.28893 152162.114 12549.8936 153249.5019 93421.17081 13255.20253 110485.2272 85968.55965 18408.44056 72383.25198 18494.39587 101277.9154 68534.85291 96436.87617 25617.23039 87673.39373 159105.9156 106718.8759 NA 88046.27747 28889.76538 77359.88221 68191.63838 102756.131 29651.52343 133995.6861 199456.0305 NA 178982.6582 16004.6898 141493.6648 103398.628 116668.0491 25215.00847 122635.6682 21748.87652 124239.7252 88774.70714 16382.81942 95658.65529 66261.58612 27530.13766 136945.0468 Indole-3-Acetate NA NA NA NA NA NA 117993.3985 106578.063 106625.8106 112054.8632 105001.0768 113720.6956 117484.2435 103112.7324 101643.1772 105575.6187 106206.602 124118.5373 107904.8725 106237.1568 102080.8067 94958.35527 108254.8439 106678.0741 119703.9198 57857.58635 32384.76187 24354.54665 47798.19353 136507.5567 34519.19057 103862.5881 24388.12065 43782.97038 1432540.974 759225.3693 290529.102 91279.88603 69043.57609 247699.6148 169491.4354 39643.07542 87224.49813 301544.0183 464414.3757 125089.8987 56423.96454 285402.0556 87521.3415 22785.07208 73537.36927 48248.48991 64243.51899 28965.24449 29090.13025 57387.90781 32549.08788 17016.59984 42103.19514 19569.33488 58687.70982 53437.34182 26858.95855 73781.33266 90168.70713 42068.5662 55892.4004 26232.50933 29689.67398 18307.47225 16479.92355 28554.13168 36176.37193 53487.44434 27066.771 107503.025 131827.2999 64633.80859 43867.99632 175891.5911 48907.86112 82912.59021 27474.66958 34989.68086 62181.11957 146131.236 60177.38564 287083.5625 29191.89317 43385.71719 66639.92907 112233.9356 190596.3402 71425.68548 132403.1294 64891.97869 39098.56664 64956.18937 32617.64121 29470.01985 76802.53478 122915.6028 46704.04761 51707.59441 93537.53064 20442.42446 110607.8584 30828.77477 52180.16834 54075.09448 44861.93402 121607.8428 27808.25878 51877.09155 82007.55632 28957.58134 227505.1824 57480.99758 226969.5275 102279.9945 577480.6345 69524.4549 118963.894 176685.427 137091.5221 41070.15975 77987.5077 45030.02085 115626.8548 119777.6552 41927.41823 107278.8049 59786.10167 87462.29856 51587.55204 29905.27253 205356.4959 103177.2804 49478.09674 21202.22183 21925.19313 98524.47018 96590.02175 25725.17138 116723.4982 49907.19223 172311.3559 77892.50501 52284.86812 97019.06798 29947.80413 69394.44153 174164.7591 105516.0777 73272.39991 40774.4005 31677.68642 39187.30391 92935.87744 54057.66045 54937.07325 26134.80623 72090.77634 44717.16961 177670.4388 145567.2781 33142.24128 70038.68379 101879.8026 34855.20356 43171.03051 133295.3031 115442.1381 337048.3073 197722.4887 116646.8297 174640.3269 342315.7364 58028.91544 98888.06431 35805.78983 32222.63763 83867.62171 63034.42765 66821.31144 204998.248 109383.3433 Caffeine NA NA NA NA NA NA 2063118.005 2121603 2028572.956 1961063.1 1923851.041 1922658.464 1948067.463 1887506.257 1638415.947 1803446.74 1755139.548 1904265.971 1782402.234 1655119.631 1667300.939 1328420.287 1402168.843 1585188.871 1616399.001 64974.44593 41083.71215 40770.82179 6745551.062 12401621.06 6851006.668 1051374.411 569678.6864 878882.2526 353829.4472 242985.2691 193078.4432 382152.061 341919.8245 635963.4425 972613.1927 447201.5865 549986.7954 3128551.6 4159950.056 2102160.931 49569.95965 428784.3423 201650.6067 NA 13034.77762 16902.41531 228114.0592 140129.4435 115189.659 769230.9308 597868.7189 318852.5172 NA NA 18829.67448 19328.283 NA 21812.08811 10872820.96 4156561.865 5796195.994 133152.7629 153990.876 74817.94531 129315.5279 163793.336 202277.8907 328254.8815 244210.8789 681488.6409 20981073.47 14361794.99 11600909.86 1090401.831 483810.0262 652278.4688 32209.79161 39678.31317 55942.12327 794348.8159 487548.6507 1249399.91 126534.4703 164611.9583 249596.3407 1146025.622 2810440.988 1046564.548 3419887.435 1707716.74 972482.581 426916.9643 253054.1859 305370.2496 3965463.907 5720403.139 1602228.257 1934782.892 3652574.483 1233137.531 3986324.383 2007959.007 2112302.275 37848.27099 27883.83965 43253.42383 NA NA NA 3440027.27 7889237.53 3179250.45 1759005.295 1675936.127 3392954.046 22705.63153 29441.17903 40989.29275 546850.9012 256001.0404 332557.3341 55278.06391 61847.09307 NA 931330.7024 2286582.37 1532709.276 65942.55497 38565.93379 31245.05557 41783.36421 40275.80409 27217.93242 186197.3207 259225.0604 2626444.892 136358.651 72676.80079 141717.69 384476.4394 11004022.35 461337.686 5915280.682 9121753.101 4401427.718 328021.433 492988.6551 376311.6083 329436.9452 234457.908 134429.8792 5233143.288 11143925.44 5339130.33 216859.8836 156306.3417 355512.0606 NA NA NA 2265439.117 3678969.685 4981777.86 NA NA NA 436861.57 838992.4306 485862.323 922958.3638 1044448.548 2033962.192 3449436.461 7371995.05 2853144.865 49998.66129 93266.27946 68816.15835 1026416.724 3433972.571 1627558.653 Riboflavin NA NA NA NA NA NA 17136.1875 14586.24727 21896.59157 20586.7338 17596.5131 14112.23954 10322.28514 10062.07384 10698.02555 23169.04306 19208.92472 14414.74181 21474.79737 17583.33024 10816.40044 9049.086694 19391.83221 18487.00966 11402.76795 NA NA NA 30922.84746 42491.65509 NA 8500.219272 NA NA 7165.989151 NA NA NA NA 5474.483763 3270.069762 NA NA NA 4834.744277 NA NA 21773.23773 NA NA 21868.97833 22242.02998 NA NA NA 26682.04979 17310.10921 NA NA NA 13679.58917 23151.09032 NA 15852.5051 4603.061664 NA NA NA 5261.779556 NA NA NA NA NA 4420.073014 3151.648656 5868.049405 NA NA 4218.223778 NA NA NA NA 4785.553079 NA NA NA NA NA 6025.016656 NA 6045.829185 NA 10038.94122 NA NA 9877.801297 NA NA 9828.126954 10186.35005 NA NA NA NA 6202.625292 NA NA NA NA 13033.41045 NA NA 10341.53009 NA 12008.01481 NA 12303.69463 NA 6962.452712 NA 31004.90466 51084.55809 6123.654471 NA NA NA 40783.50441 26346.72616 NA 6713.899146 NA 50720.58182 44524.11538 11956.5758 21043.74992 23064.60607 NA NA NA 10983.14609 NA NA 4094.998805 13336.35446 26796.66387 NA 38702.89852 30153.05235 NA NA NA NA 3307.502639 NA NA NA 3708.151808 NA NA NA 3742.970142 NA 5688.321429 NA NA NA 9005.485055 NA NA 5432.109545 NA 26109.34365 25104.46488 NA NA NA NA 4804.927463 NA 26141.81107 58573.00445 61575.28826 9374.706947 27919.87473 22082.70241 3-Methyl-2-Oxindole NA NA NA NA NA NA 151378.0972 134386.139 105728.9671 107634.6708 96850.12491 97521.79688 102500.7906 111602.5425 90434.39834 94378.39973 88131.31162 86208.86353 89268.90321 84575.23144 84999.1507 72890.5011 101554.2145 100278.7179 105283.0587 37923.76883 30345.099 12728.38784 174368.1362 448540.2631 154073.271 49145.06339 20007.48021 29279.41016 168850.8313 87075.18475 67638.40969 13382.30997 NA 27759.15545 30357.31047 15926.15504 13170.46245 123312.4376 199093.77 58045.24685 44277.47585 109047.9459 31085.55675 101705.8465 329784.8736 178327.8108 142371.3541 45684.3083 48619.0765 99547.43762 50644.72489 43666.8179 59252.6121 39872.05074 125428.4699 111660.2013 60617.43343 146294.8771 486527.8136 139928.5074 207791.1664 63165.20174 80065.53488 37097.70575 69607.58901 134096.4869 193413.1825 82378.39612 41259.62524 157381.7992 93197.34419 44058.98314 36261.01571 185455.9918 60080.43489 95099.23129 21889.12213 58296.16178 56709.58818 32009.18491 11836.74018 NA 14297.2971 38376.21346 32615.2068 89415.54674 188454.6796 73400.80183 191621.5533 92358.91731 63476.89848 136324.867 77434.85436 46658.44987 54437.3953 90116.01817 26144.29246 68559.04212 124840.1732 23004.72011 240407.1173 70064.51724 120986.208 89356.27668 71927.92892 199751.5547 76218.23188 136459.8195 212554.539 40509.16832 252424.2775 82222.7184 67265.85834 42387.73685 119616.9153 58981.15924 113144.353 207935.6123 146872.9844 37338.38693 79763.54646 13884.9464 18660.90742 169742.0744 50832.69414 123222.1737 67101.75665 49081.41956 36053.66908 14442.29735 131638.4995 62384.29605 42145.30368 65805.57894 69796.84175 70254.55164 149518.1202 49440.74865 161424.3863 73774.07005 223692.6978 78128.47885 33029.54325 48726.42362 10941.11897 65057.71206 116835.215 62405.17001 57676.05479 21290.4162 NA 23308.35752 79581.22384 31156.82911 50674.42693 43678.18723 93642.11649 16142.94761 29689.73242 42284.68201 69258.03585 149850.6289 245293.0262 23279.80976 16454.36449 99819.21436 222140.0444 644310.6511 328803.6085 82368.56574 102965.3819 225322.2136 59098.90032 111634.6289 35400.22997 32745.78474 94450.9179 73857.66098 97101.23695 338735.6205 178594.3568 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate) NA NA NA NA NA NA 259999.5994 253440.4803 271321.7056 286565.7114 300643.436 307381.8026 287568.8448 276416.19 263135.4086 281570.4779 265699.7102 303939.8741 273929.6439 272307.7027 284114.7874 246130.7096 261274.7452 324718.2034 319760.4871 509079.6609 208055.7679 214889.2591 184953.7269 381606.7206 134462.422 1171017.554 386779.2528 602188.862 370647.8415 260066.383 127440.8715 NA NA 32844.36551 324835.8003 111931.1121 219505.7794 330958.6516 374036.1243 140137.9247 NA 58695.86839 NA 41016.33099 161534.7936 50077.31366 318128.6631 91269.48152 115398.0341 147797.5745 89203.33715 40956.53379 223272.5183 122308.7709 401355.1457 65882.42783 33504.30231 69972.06305 47730.90545 NA NA 235798.6574 165568.9369 114919.4637 132534.7665 126450.2856 183531.8129 NA NA NA 458087.8542 366797.1075 238116.6472 280283.0877 74631.88882 156004.1533 41667.26949 49774.9398 96145.86558 101497.8205 53894.01153 201941.4896 NA NA 16730.13544 678597.1595 1449808.319 296301.5804 62687.46906 48379.1815 32838.31432 292477.384 48806.10486 99629.64622 168682.8434 257701.4422 72703.44646 37130.27506 104488.9782 NA 135055.0379 53441.69038 27185.67162 66241.81178 48477.86861 191086.1298 159222.0525 258931.6135 549446.6638 112021.6915 813738.501 120195.831 32138.80222 58462.96617 175741.6773 203636.9964 365133.8192 423845.0458 598804.851 155324.7214 404738.0421 54688.01134 111209.9453 41908.40574 225964.1802 680745.3063 301888.7647 454976.1876 341400.3064 151602.4906 551833.2504 365579.5109 174433.3138 NA 20958.93041 476438.9139 46812.42212 16687.58156 51211.9959 87448.9903 388385.0564 115242.5859 140940.6361 392931.3781 109646.9949 163846.3612 275490.3192 198581.3289 207032.1158 121076.2003 68515.61275 30972.78095 64885.72351 55005.15259 85899.6703 38875.16645 122382.0265 27554.47744 97080.39339 90563.18906 22285.73814 55387.2273 85225.42844 196715.2722 262518.4866 680829.7413 426625.4737 1186020.774 620157.281 26121.76669 50349.47158 70752.0697 57367.40196 85504.93877 28829.08917 NA 25771.4606 16636.0084 84953.61875 244851.7517 148218.2779 Trans-Cinnamate 480448.8838 278853.2638 221348.4544 702903.4954 469827.0298 344315.0725 135427.8238 138534.5501 127783.016 124281.3319 139372.2814 151326.3179 172840.6734 163878.0215 162519.8421 164910.7672 166652.5936 230401.3433 240177.6959 202144.3034 211790.2794 184006.8028 195625.6221 234163.0794 258020.6704 82805.25454 88822.31541 76288.44334 92689.3386 93413.51296 87172.10556 53115.2664 67198.04299 73993.63865 101516.1948 94499.26476 231223.4381 113224.2242 103521.8299 92393.7824 57657.292 69613.93654 75394.76061 92536.72326 75503.90205 78635.6764 203759.6298 71071.09398 101417.3216 278395.795 97755.70955 217817.7311 96388.0466 508548.6487 391350.5607 111844.0215 139172.4222 109816.0449 167476.0094 133396.7885 74548.88972 184820.9865 97802.91263 102164.9093 100290.9011 114378.4731 163363.2422 337190.4557 184161.7147 102615.0384 215056.064 185820.9286 151851.4921 80675.36596 106426.7796 114546.2917 103529.3612 111698.3302 201665.6673 119207.9481 154381.6396 93375.20223 139222.8071 139796.1463 126107.2346 115399.2407 117269.8564 119826.8521 119810.2759 119867.3628 121458.5115 127130.9433 133363.6563 125845.9903 117695.7059 104584.9533 140296.7013 110586.6934 139909.2189 172065.0703 174000.435 128002.9603 113835.2505 370490.9298 173935.1631 246334.4947 241920.9088 164591.7795 204379.451 473208.4865 182103.3919 148124.504 209384.7435 278066.4275 161334.5924 262349.7865 150630.3716 167918.9431 194672.5516 293545.833 178565.0459 135921.8808 225161.7504 184177.1062 170894.2407 206852.6353 152776.0939 241681.9663 178670.1814 192852.8038 216906.5217 206040.1265 250536.4673 211672.4494 342887.9698 199370.8127 260715.244 168524.8026 203989.2252 207301.9875 288549.965 231904.3143 154893.5665 292221.4641 224835.9143 203073.6426 173129.4969 229448.3385 208205.2909 191046.098 199202.0036 216470.3292 113787.4361 163378.5841 139244.3041 218207.0555 137853.4532 217997.8296 124618.9386 185274.9427 123016.0007 154366.7151 178321.0419 167145.4968 163667.9406 173780.8303 194815.7 173368.631 159087.2999 155735.754 155215.6984 134080.8034 159955.7642 181197.5141 159275.7826 175817.565 234227.9303 133724.8572 127729.2364 146828.0575 165388.5663 156177.0623 168710.789 168887.5201 182019.3604 197080.1415 140063.7859 Azelate 97996.08645 78660.63123 71981.29555 128776.6472 70325.229 62592.66969 124527.6482 137211.7698 114672.4116 149479.1208 121590.8111 146802.4726 131099.1176 131464.7969 108826.1171 137395.9357 158420.36 162067.0244 147547.5627 161410.008 152188.7506 155931.2409 154287.1322 162132.3107 176317.6966 100382.1209 120691.9535 90167.31077 424154.8528 67068.44566 233504.5614 55688.67857 294514.1095 254152.8036 41021.35575 220532.0787 141415.0555 319653.9339 209793.2519 65268.16871 53792.95215 332047.3691 444421.2724 123966.4383 44781.02552 93470.21796 330859.0294 NA 103261.7441 117743.9365 49279.59694 108183.7599 47736.97716 168344.1548 187120.7687 26947.85804 424055.4356 207559.222 106158.6672 76505.74502 27750.98793 104947.588 46046.63427 NA NA 53003.55133 87824.48738 99481.96461 NA NA 78609.38705 59862.68065 NA 351639.5518 122805.908 75315.43755 NA 130176.9092 91184.89661 NA 172609.8996 119833.4081 52469.54113 85002.1384 46999.60521 87213.5398 83876.57887 53035.37109 62130.67256 79690.64828 50500.90082 130767.9025 45862.30755 40967.07084 NA 66016.08775 68620.15304 41081.89953 39509.58349 89456.04798 68497.12993 28626.16941 NA 150104.5678 43785.84228 67178.00542 57762.72451 81700.12524 71502.12428 109433.821 60214.35661 48053.34078 120508.5489 127767.3683 54516.58021 117750.1518 NA 82130.03007 163538.0518 302299.7551 NA 73798.35966 184000.0739 50931.08591 65793.91572 77909.84451 139329.4881 168715.3306 249357.456 NA 84086.80433 60173.39176 127825.8294 43220.26059 158998.1645 73665.70979 61892.8825 314207.642 255993.9738 161120.7995 136920.4944 43274.58819 110873.7477 104622.4336 60856.55288 142400.1703 48441.2632 162829.4445 147817.0238 56915.05928 76233.72187 69264.51061 43618.65779 69444.39541 49153.58817 148162.9653 80711.83166 75366.50195 NA 163367.9041 122657.7245 77542.16317 NA 130186.9972 69798.27566 382632.0269 127228.9195 188679.1992 109105.4191 118346.3437 115837.931 58789.74988 168096.6693 73373.70781 223880.9827 321907.6291 391698.165 67485.2079 193852.1263 68277.07431 123807.8638 128835.7558 59508.32336 173975.3214 222862.4155 90723.38917 364314.0913 O-Octanoyl-L-carnitine 25611.98368 22255.00084 22143.84032 13694.08759 NA NA 847120.3283 874435.0023 856871.9642 805819.8388 792520.1134 783069.4496 811098.5403 815278.7596 743512.9404 800134.9125 777846.6244 829256.8628 879796.2693 764635.576 770223.0136 624218.1292 719526.2289 864187.9928 875397.1126 2940374.162 1544368.656 1175577.775 503963.2226 949477.2476 349704.8848 2736085.438 742326.9722 1814255.997 1027776.094 580943.4411 342186.426 882201.1852 571990.1373 1460478.509 3071797.377 928508.6953 1978738.988 733395.313 981454.3494 350432.9851 1052016.515 2293155.124 814770.5581 360929.834 1353863.658 690914.4309 811443.6961 318899.3638 275040.3717 1155464.777 607265.6012 304379.0369 665327.8608 373054.6041 1397470.229 1192365.246 580966.2432 1534808.211 580217.9365 194946.9563 316233.6304 1096349.396 1284293.741 621573.4087 184319.4631 328293.8252 503197.2678 198348.0572 103369.4591 330500.9775 1296380.229 680450.2346 438692.9794 1274225.366 335470.5051 682659.748 376850.4615 670322.771 1040689.4 303504.4354 159543.1858 722765.8757 481054.0278 747723.5109 1087173.695 921083.4378 1944133.219 658225.8971 724566.4712 390604.0336 220013.3346 1113487.714 546925.5753 397943.2364 601258.235 764230.5717 308599.6583 486172.8247 856159.3588 192694.3564 1826899.563 526922.9176 843583.8835 922796.5165 683495.7772 1911810.901 122404.2053 210249.8638 327593.2861 164759.6872 1095934.395 292969.7862 606055.865 337968.002 1073072.983 336081.1752 690393.4353 1113357.263 1620829.272 427367.8724 1142971.897 219726.9592 418728.243 350751.3744 246024.0588 500156.6698 333339.2079 2787820.464 1598127.217 674262.0574 1032356.446 651114.4785 300738.9398 155729.4453 208952.8919 711960.0617 727636.7117 214454.6179 706935.4306 187665.8084 1070726.551 352261.5828 942121.6146 2136857.25 526782.8166 677205.096 1296420.289 855678.716 478715.4502 277289.6556 143775.3077 403388.9502 1135235.202 600611.5569 621226.4738 278905.3505 979002.9747 284597.0925 911828.7188 845120.381 400885.9874 1069029.955 1180685.556 395756.9964 562310.8005 1667091.322 488240.1818 1401744.55 753081.3699 811539.7948 1313962.135 2152433.304 617969.0651 1155044.566 309029.9396 595967.7517 1341709.138 1095897.303 206711.1262 816631.9534 449287.1372 3,5-Diiodo-L-Thyronine NA NA NA NA NA NA 39907.56294 25030.44187 26209.50425 27567.71561 23266.58547 29696.86171 32538.25121 21146.66705 22310.72564 22725.28543 22549.27827 27460.11327 20176.4946 24041.13059 25380.3158 26278.92076 24816.30455 24562.83241 25130.99343 10226.53533 18909.83915 14876.00971 26076.51578 9606.450904 20040.96135 14746.38263 18790.05963 22849.57043 9027.586504 26961.39922 22029.74015 16287.376 8450.900329 10139.48238 12661.14025 14312.23992 12388.08281 14498.58746 NA 9761.628664 10520.37257 9384.749658 20756.96335 12603.02569 9192.124102 18687.31255 NA 11672.4238 NA 11159.09399 16375.40779 14733.22755 13733.72015 9568.588997 12625.25829 9135.955243 12159.70589 NA NA NA 9861.884267 8262.92048 NA 12091.70535 16391.26724 9355.302732 NA 13314.99329 11653.63911 11164.04455 NA 21746.99022 19825.67167 10051.83967 11450.88584 17007.64652 16204.14961 19524.56789 NA 17473.19553 16815.065 10745.47328 10654.3566 10924.41006 NA 17963.79874 10467.21137 11696.12236 11144.62522 14627.63187 8992.012125 10331.85134 13119.62852 23767.06324 10024.61644 9769.005878 9035.685282 14451.57027 NA 14259.0489 9258.984254 15230.29725 8637.066724 11897.66474 11382.58345 NA 12426.27437 12732.36862 8294.553861 27803.04317 9523.078317 13639.42822 10336.64912 11695.13031 NA 14189.71786 18489.75012 10191.91592 NA 12789.73922 16076.3559 15652.66018 11129.25208 10699.99975 15591.64247 9220.169274 18886.64913 NA 15699.09284 16584.29106 11681.23762 17734.18082 NA 17381.81149 34384.17368 NA 8913.471891 8989.699826 NA 14610.47054 NA 9644.794173 20580.68283 NA 10825.23252 13584.16147 9412.741749 13327.98979 11295.68072 19452.9815 13877.41382 11409.59373 8924.305064 15084.46872 12561.92662 8395.849135 8917.596264 9860.508749 8237.862195 9184.854029 22623.29773 14596.5755 11575.68348 21200.63916 25180.37974 NA 13045.2337 10055.44256 14616.80108 12398.88956 13174.00368 NA 23054.23969 9184.092344 11860.66512 9030.232771 9763.835119 NA 6584.861449 NA 12110.41235 Bisphenol F NA NA NA NA NA NA 192770.8402 159048.4271 171386.0079 164446.0725 212805.6163 186626.3242 167175.3438 169135.66 197583.7911 193904.9112 206008.4737 224354.4992 208784.8862 227033.279 195979.6081 213338.0928 224900.3725 218669.6895 204078.3341 157582.9619 170543.0572 128474.1165 328194.7286 325531.7213 213101.805 161668.5334 94067.71035 266581.7805 176608.9402 231840.7324 98670.1927 353895.4575 141260.7957 195814.1829 205560.8411 131311.4805 446217.7553 210539.2533 114374.4057 58967.20018 217547.891 277885.4041 123648.2006 114932.8303 202250.0846 287210.8511 206622.2719 115739.1204 163900.9669 196632.9682 309854.9637 162774.2578 113857.187 53742.93482 67622.58026 205719.0949 117095.5613 166281.8313 127702.1791 69330.06617 90078.09905 145023.0866 108538.7823 122347.5147 55061.29296 222928.9459 137049.0652 1160898.963 567568.3609 898305.3232 222843.5777 216412.7097 108175.8204 163496.4839 91159.5247 140782.0603 104505.235 281934.8149 257697.1169 342489.1588 206441.5932 400199.7414 68942.85763 119972.4788 117621.7823 219742.7228 206521.5024 102464.2013 239930.4174 199573.0843 120460.4779 338794.6664 385012.9697 176826.6765 217301.2049 168691.3516 83304.18163 173854.1113 166767.7637 70408.93003 112703.1284 53306.52148 107654.7652 103782.5017 80043.78304 172063.9489 156232.5241 284197.1711 179975.0333 199748.208 300121.1538 227244.0316 236804.3053 92686.7264 165162.855 76098.46415 136399.3479 143294.343 292814.1128 175317.8873 499078.4949 141583.3641 169180.4966 104853.9803 97716.31852 114850.364 179333.1883 280760.2068 161332.9813 128288.4304 235864.6765 300331.6512 128750.0311 106844.6439 170672.6141 188310.5367 580560.1028 96842.3298 225460.6691 69596.30342 272384.0852 122591.7785 155382.8298 140015.1642 98810.3213 102738.077 110574.1372 216262.5851 138553.8176 110557.5556 68594.41306 155195.9424 236792.4891 219384.0366 238235.1601 76945.96391 125850.8171 64733.36604 158694.4246 193595.3068 101863.5397 256591.7513 188767.1673 120127.5587 169983.831 255783.0445 84624.58379 163628.1889 209045.3372 64215.51774 108196.6639 109599.0455 256781.1857 245419.3364 110144.4362 113671.8335 182057.44 220920.7584 156596.2259 223100.938 238803.6823 Heptanoate NA NA NA NA NA NA 8400.367721 8374.179347 7824.507423 8050.22897 8797.665004 7706.822851 10585.30013 9070.467483 5016.629382 9475.658565 10559.34165 8511.101172 9941.639637 8003.862065 9288.165551 10794.43652 7033.435972 10230.16747 10079.70554 3424.957334 8903.629331 7778.243487 6916.690615 12234.07482 13825.98223 7447.885485 16921.79143 5299.121417 6730.821297 6955.219093 16632.94785 6528.612698 21560.94554 10156.15701 4526.863064 34419.69359 8059.773968 5773.71379 2922.035414 41756.47237 5552.564629 3830.015023 61186.61551 22011.48234 7400.522321 9145.099751 8285.351139 23820.96664 7091.411853 6508.456949 7797.311532 10231.85341 6569.769715 19731.13899 4786.287557 8615.068445 9648.883652 5345.475419 6431.616083 10331.13922 5426.560981 7356.695345 4849.840074 6453.17046 23357.13408 7050.310091 8278.848989 15979.14719 14970.23498 12493.32919 11322.95072 5812.74885 13304.80664 6905.555228 10094.87105 6973.324904 8306.182453 9690.788187 5010.385552 6576.440779 10840.18986 3825.772949 13812.85567 7837.113792 5700.138506 7972.466667 4607.353135 6775.872253 12282.31664 7617.050787 17897.49862 6304.349909 5734.520594 30002.23817 8331.050871 6676.44986 8659.519688 7175.518757 5523.183606 9146.550625 8379.43835 12049.60037 7608.209555 7704.949274 27091.93858 6767.157704 29290.6807 6320.272298 6251.215595 29052.17898 5669.906901 6465.042905 9714.911715 16534.5898 7755.437261 15643.69117 6737.031211 7296.43962 8564.41798 21803.83392 9720.325712 22668.53369 10602.55026 8897.14556 11822.8068 5554.05068 10382.77834 8639.175272 8554.214895 15632.60007 6614.753307 7510.228006 21877.06158 8171.373993 8831.685654 7691.160983 7237.715627 14061.34173 8740.017004 27814.82967 6170.697604 9452.458774 6773.642615 15315.44163 13828.42167 6902.288874 8646.890682 10270.12299 9664.274624 9161.703018 8180.276515 9315.993157 5229.888415 8811.789541 7530.896755 9195.022245 8141.196362 18084.43311 7891.566282 9534.701849 24007.56336 7828.686352 9255.395957 12021.39017 7947.126307 11045.21938 9584.051178 7856.77713 8393.418053 14389.10071 9634.830327 9557.752289 8342.377026 6229.616251 14088.71076 37471.44984 6908.747107 13596.41822 10929.19902 8381.197847 11901.36999 MiBP (Mono-isobutyl phthalate) NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 205687.5818 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 210285.1062 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 494031.9875 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Propyl paraben 984087.27 328470.6536 299617.4033 1380376.601 434918.0896 444530.9221 556912.6877 593299.0004 566210.326 581718.7103 600793.1044 617563.9742 614431.004 606671.0455 613248.8817 672847.1664 658567.9669 694589.2589 595542.7061 648666.1637 645761.0186 580297.5124 666222.663 656613.4782 641214.8658 247332.915 189803.2641 238969.092 255268.6676 281628.1691 325340.9573 NA 608609.5819 229839.8553 281440.3531 142574.3801 3604894.263 266786.2403 290997.4323 323513.2622 351132.6292 282148.4338 265625.2541 283343.2598 338993.627 334760.7375 280803.0357 357898.9455 1133018.909 637638.5216 259514.9985 391128.8304 293309.5612 458803.7981 341181.6716 351868.6407 383875.4166 377739.1622 340912.0178 321430.6063 316701.055 365920.6297 362025.5455 284694.3075 274321.4191 1005532.342 294899.5876 384111.7004 348995.7645 344583.0148 5428404.606 366003.8029 394953.0919 358672.0008 422939.4149 315380.0101 308497.4442 305199.6328 2532434.206 316923.4423 310068.5698 266072.0194 302851.1793 341722.219 335296.2494 309385.5325 409711.6734 291227.2205 371296.8292 299358.8085 392950.7237 NA NA 345147.5628 307790.7136 287581.4441 420551.0842 336116.7871 413878.6859 530217.455 386807.9071 325375.896 349518.1853 345653.9932 390265.0609 348141.7635 453862.1454 5897187.929 382637.0053 357147.892 396818.1064 346317.4406 500438.5583 446186.3712 367662.2136 712477.2221 322564.2273 393366.0627 251670.0034 575047.953 385929.2574 423082.162 297278.764 360174.429 360398.2844 367281.9991 341452.7356 3236839.07 318783.6151 380820.5314 348278.2698 359352.2937 304851.5634 415905.631 348759.791 326766.9593 453134.4246 206753.6835 426791.6591 460493.4949 247109.888 403339.3073 279303.9939 479747.5268 332321.8891 361576.7139 360153.3694 259014.1485 334275.0028 321522.7247 396983.7323 367560.6423 335411.7472 330412.7335 410305.5331 322241.8941 409209.0801 3465926.81 412226.0864 354407.6918 316583.4262 692897.8288 323770.7586 311775.1609 355461.3292 312325.1075 454520.6456 328463.6906 305770.0808 338093.6073 316617.5975 331221.4864 401851.8573 412277.4552 313928.8491 325261.0282 342377.5672 307119.8877 376836.9678 408385.0221 344362.7748 471699.6814 379298.495 366164.5649 516870.1859 376908.6427 320598.2227 Cortisol NA NA NA NA NA NA 423912.404 419992.335 431364.2363 409913.3975 433987.8572 418598.9919 438938.5372 408111.2437 417528.5393 416901.5505 405249.7896 448236.0944 419530.6741 413070.8606 407843.5122 378459.1273 405833.4558 427510.082 415252.9161 578836.0068 296463.3172 207753.0845 355317.7373 693172.3167 279695.7664 898083.336 216331.2554 605386.0816 544106.2166 312199.9873 150136.9646 230540.6869 175944.7153 424725.1749 627886.5643 184709.3822 350865.3105 355868.3216 541507.5508 204104.869 464425.39 810206.7811 242144.1589 266178.4924 933962.9725 559765.6233 1659558.661 547343.3672 460256.0157 552243.5471 313620.565 171451.75 388275.2698 215337.1013 882410.9 329114.3749 170063.3527 421987.5738 906445.8497 226848.5519 415798.0155 405854.7135 600504.6288 212828.9836 120440.6474 365321.7282 536129.6593 563696.2129 231856.5168 985043.2596 1297513.662 571150.1393 332763.3031 779792.1895 177903.3313 404509.433 338150.1414 658149.0996 1221153.019 208534.053 101494.4055 366610.7028 128815.9877 195202.9343 376205.0825 164735.078 305190.6356 126801.7252 868433.3319 406224.7673 240512.0064 606690.6332 415702.2372 201513.3402 481307.6475 916470.3011 228926.2819 294634.6069 470432.6534 128794.2972 2461909.922 530167.1432 1399714.465 248399.4548 203537.3105 454338.448 206746.2066 462186.7956 675684.7417 134519.8166 742862.9299 270568.9924 484690.3912 288423.5089 809722.2042 129941.683 250011.0268 473217.4283 486731.5423 132288.5376 319390.9532 305068.6828 673780.2011 1739214.983 344972.1027 824367.629 549611.6199 1365660.973 601796.4994 298128.1072 468578.8521 293813.0386 145252.189 144166.8512 221652.7074 556948.7146 1228290.685 354455.7496 1369238.753 646256.3057 1364067.898 969881.6547 617852.106 1484139.896 359388.8485 311267.3393 771862.4475 487589.8946 2030098.676 952546.1892 509317.9297 297817.7914 1166011.542 543193.3499 184452.8727 85430.68378 238415.2677 181647.8388 690638.1828 541078.7207 204183.9392 515589.5922 664924.1772 149953.7238 229166.4247 759826.358 155863.7636 436636.0912 279329.2164 260841.4967 389909.2289 816902.003 259854.724 464308.5622 146992.5978 135861.0327 314169.4823 228853.1663 172339.6291 550868.3281 341593.1162 Cortisone NA NA NA NA NA NA 109358.1573 99697.37645 80314.92325 90311.41807 83654.62618 102708.3452 85285.08643 101881.8585 98790.70022 106492.2862 97849.85705 112861.9743 104053.608 97160.03273 96428.27339 84975.07446 78582.19498 102106.1486 83854.74987 215841.9449 125631.7502 79999.11047 90332.98167 150008.492 52540.39932 302567.8907 67031.13042 209406.7345 155958.2317 87791.13022 41151.98602 68701.67937 60858.19269 127373.0258 137910.4415 46147.68782 74744.12887 84411.83526 123001.1016 45381.42092 125102.9714 229552.5088 66483.49387 48007.48661 166780.7389 101147.597 252101.1939 82849.78475 83594.51397 140251.5756 59928.39138 42872.1108 89655.91381 40110.37433 159504.3341 80416.07572 39407.7681 88961.69837 165439.2023 45372.69665 87038.0949 99503.2199 143600.4068 57345.05174 24061.92368 76691.95095 103416.2338 120132.2976 61181.94143 222094.3821 354997.2476 169885.3177 83755.92259 215996.0081 68530.60673 114352.4178 77958.9828 176104.0524 307726.5315 52022.81037 23658.17488 92239.79749 40331.7125 51076.57731 91750.05536 57165.84196 88979.44789 44030.13564 164480.4488 87419.36934 43558.25406 159089.7177 113382.6147 47965.08701 128778.6156 218102.1587 57364.66824 89710.43354 149244.8513 41774.50065 235445.7525 39103.13448 154685.4737 81539.7151 56815.68685 135528.2571 50879.76713 91291.22965 136212.7633 34552.37086 159434.8352 64971.70723 97334.26932 58528.83481 175522.8299 27844.79398 66755.42066 109399.3535 122196.7512 34721.31459 86177.5804 56058.74278 152175.8331 259413.0474 50520.58491 131913.1656 94576.44836 298975.899 151212.3083 74973.79385 130567.4362 87881.32936 38142.61213 766810.6064 1056581.476 178745.4512 192875.8644 70849.73857 240365.5187 72670.44751 398804.5248 125908.4114 108895.6381 218807.5183 62669.95052 72315.2881 143548.1433 99480.02976 266199.2136 149770.6777 71184.43592 68932.24101 315631.4633 153834.5339 58238.73379 22852.89982 68834.15053 36261.40836 107927.3618 101841.3347 57222.32384 169636.7678 192306.6267 35674.29926 64249.69515 171705.9845 59588.67379 149646.3527 103151.0082 50788.97405 74018.62506 121414.1002 68652.32758 128273.7013 38509.66452 39085.67827 92322.91743 79748.06787 39695.09815 136879.0036 79777.94238 MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) NA NA NA NA NA NA 68438.61156 76429.17368 61207.76159 NA NA 67729.13136 NA NA NA NA NA 54889.2221 NA 58994.46277 NA NA NA NA NA NA 150298.1363 NA NA NA NA NA NA NA 59117.23357 48727.89449 NA 49189.83021 58832.32052 NA NA NA NA 44698.70219 NA NA 67280.84491 NA 73073.5588 NA NA NA NA NA NA NA NA 69174.65028 55119.97398 NA NA 45314.12322 NA NA NA 59890.08037 47938.21571 36718.11736 NA NA NA NA NA 53378.38418 103522.3987 179661.2145 150953.6095 47795.84288 50097.8794 NA NA NA NA 90154.54613 NA NA NA 42584.14283 38003.05373 56973.78642 NA 91217.09787 NA NA NA 87228.66652 NA NA NA NA NA NA NA 72737.57651 NA NA NA 60748.9024 38584.83588 61123.13578 NA NA NA NA NA NA NA NA 91190.8698 NA NA 53656.42982 NA NA NA 52313.0785 NA NA 61543.74611 NA 49903.58455 NA 57419.67671 55125.8108 68311.65413 47562.28227 NA 53445.20612 NA 37373.08047 37687.67515 NA NA 44238.3948 NA 37942.56815 NA 48103.2996 NA NA NA 45494.64407 NA 42856.54759 NA NA NA NA NA 37187.65626 NA NA NA NA NA 31818.26558 NA NA NA NA NA NA NA NA NA 36570.74829 NA NA NA NA 30837.53988 43699.60126 NA NA NA NA NA mono-n-butylphthalate (BzBP, DnBP) NA NA NA NA NA NA 346437.9941 358529.0251 365469.41 367614.3581 433938.3985 394365.5118 403789.805 387264.4506 443845.6814 444376.624 418480.7851 460086.8959 402369.5211 431940.2771 441938.4035 423248.286 463694.0403 469477.9591 480176.2948 387385.2245 157446.1581 150464.6335 86020.60857 160669.3959 66031.65315 1235089.217 319760.3369 580751.4188 396154.5435 222469.9476 134478.1506 NA NA NA 417574.2951 144827.6271 223731.6693 264476.4016 374031.5791 115433.3335 NA 77615.51226 49033.3245 63570.57716 198266.5872 97760.16308 287871.4445 92778.64016 93555.08202 479802.9313 226835.7229 134120.6001 154798.6562 116014.0585 350934.7587 197197.8631 128769.0226 285327.8297 NA NA NA 304198.5209 267445.3824 193539.3073 144350.2735 126795.8405 210001.2364 NA NA NA 730751.8433 447278.909 302078.0353 1346577.637 249795.2274 561997.9086 51065.27938 62961.33598 113735.716 168729.4255 122789.1615 450536.5044 NA NA NA 916962.8746 2344856.081 434091.2075 135044.3362 63650.82401 54106.55277 201894.0155 49085.83523 82419.09078 191763.3955 305340.4135 92043.56347 120729.238 299826.4823 54899.82163 86482.47906 NA NA 211257.0706 206906.6138 741949.604 131078.1826 167594.4495 404723.277 216896.5576 1683170.176 254783.9988 154603.5816 204642.0445 1005917.602 513514.286 898604.7943 1213595.832 760546.0804 195692.5252 406957.9179 59748.5928 85806.39416 60055.76206 268884.1041 1004393.542 305485.3556 303675.6297 238812.1521 103390.4743 665382.9239 362774.3779 207038.0067 NA NA 562885.3513 98836.3459 NA 98616.63382 191682.0061 367327.5316 230058.8973 69711.75991 215781.7852 54308.82052 311637.3125 745703.3311 413016.9593 415041.8675 217570.2408 111580.391 68090.18391 185381.2807 92691.62341 174715.6181 100881.7078 283121.9602 97497.07956 384331.709 294850.0134 NA 94797.04261 151170.2032 142768.8914 208666.2865 727615.167 152466.2955 469677.7506 211122.092 91922.27499 109513.4581 257808.928 50960.83699 75840.98755 NA NA 55444.78042 NA 68192.14695 194953.6201 83990.65336 Naproxen NA NA NA NA NA NA 323696.9788 317889.3523 300234.1668 292846.3974 300220.4465 289186.7474 286948.2282 281100.5361 275372.816 270265.7118 275503.2873 300748.6454 264200.9486 259400.8099 260774.2546 213620.734 232877.6622 257031.0816 249945.4155 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 151782.9601 114338.7142 376616.8938 NA NA NA NA NA NA 39400.20086 49369.99016 20250.32317 28555.06453 53760.92821 73817.97199 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 10835.01018 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2424419.001 4742022.616 1936923.221 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 16227.0914 19233.14979 NA NA NA NA NA NA NA NA NA L-thyroxine (Levothyroxine), T4 NA NA NA NA NA NA 142895.5289 137522.5596 161875.9395 163454.713 159571.0287 164576.0002 167956.4431 156307.5668 161305.216 172899.0489 169492.6094 168637.5937 159983.0146 157408.9479 153455.981 153329.3849 154520.1004 165346.3934 158703.8236 362758.5015 124433.1572 77552.36964 105952.1028 359342.8791 75922.6748 336214.7851 55517.07024 124313.6785 273107.1996 92205.50114 53366.37899 116528.5228 84147.6165 353197.6326 526523.4187 89291.24716 186035.5874 173944.8148 352117.3558 58632.68676 119695.1224 415298.6231 43266.77333 66004.28113 350371.2605 134098.1494 397413.5723 98158.85308 79696.73543 287277.192 101400.8678 52230.75684 83425.80703 48075.08095 272669.4392 218678.4929 100670.3416 387555.8631 477901.2113 97933.42619 162406.3292 166544.4394 297802.0145 85049.45676 81845.22412 208718.2144 429935.0669 124143.5979 59898.6296 322915.8952 208404.3319 81461.30499 52351.00999 190523.6022 32605.08076 67000.74657 68422.50914 124964.0422 313459.2328 120734.6263 59495.64416 372174.9931 64049.97526 115026.7679 298426.8747 136473.5672 342364.5852 87880.39359 293230.5336 95394.70299 52970.22746 323721.1588 122447.277 67531.77828 113798.2901 272946.1189 48635.81354 122681.8131 276127.826 28259.25085 382782.1774 66511.15744 137075.8609 116161.3779 82435.70163 265686.4535 63322.28514 131732.897 287429.5147 49609.12023 370758.0067 82507.3658 88868.79032 57930.42245 256882.3038 57009.77231 120670.8698 285424.5724 348212.9841 64969.4061 133921.2185 76365.28192 159616.4133 316390.8379 91629.16625 350844.2227 168343.0746 350654.0645 129651.7102 58278.49766 345016.923 125852.4477 62404.05999 46417.21401 66253.00267 282317.3274 160342.2884 44239.2476 257850.9825 103741.9218 415270.4887 150108.3923 109718.7489 401384.0219 68382.52282 64500.61519 210901.4959 99067.54396 526770.0661 183006.0097 96690.98209 67099.30045 328731.4291 105869.6336 129476.4691 54951.80603 260791.0262 42585.11669 303179.3378 151745.8461 53643.34117 177999.7065 384409.3053 54058.51408 71877.54425 375462.9883 75007.12903 342512.0418 140036.0154 62267.56095 105616.8094 307689.6568 130736.4424 305950.4747 64705.79983 73692.5514 274156.1506 152694.5851 71895.92601 346252.8013 118420.2716 Thyroxine NA NA NA NA NA NA 142792.4406 137522.5596 161821.865 162827.5974 160528.841 163354.4509 165129.0688 155508.351 160976.829 172632.1592 168009.6629 167854.1942 159982.0194 156992.6856 153396.7608 152999.6306 151863.7184 164891.3976 158804.1186 362290.3239 123646.7848 77549.5488 105568.8895 356951.5743 75858.92692 336308.697 55516.42654 124101.0614 273183.4089 92343.70096 53198.89622 116091.084 84732.84306 353437.397 526743.5625 89542.43307 186168.1879 173777.3789 351999.3363 57732.76728 119714.4425 413025.3541 42872.83407 65988.63497 351175.2569 133744.78 399467.7782 98282.03206 79053.71717 288035.526 101917.5634 51728.77751 82653.44636 48079.33802 272490.9719 218274.1781 101273.9096 387219.3535 476941.0284 97547.43424 163317.6667 166132.3343 298107.3894 85217.00874 81582.02719 208643.6065 429635.2406 124290.39 57361.12047 323400.7799 208296.9887 81409.86178 52573.31715 190805.4642 31635.91861 66580.99865 71065.45089 124379.5434 313483.2197 120704.9572 59351.92867 372524.206 62227.80011 114305.4212 299183.9801 136361.5233 342392.3828 87533.16381 293479.4465 95284.631 52302.30448 323054.9835 122405.3026 66627.40636 113564.1561 272762.8641 48236.05675 122783.7936 276203.3371 28430.30086 383019.9396 66428.38972 137181.5824 116701.406 82674.37071 265506.2321 63174.4526 131769.4596 287290.0936 49495.68835 370744.1895 82442.72947 88966.97379 57860.95837 260199.8146 56257.23307 120670.8698 285149.1783 348291.8536 64838.66968 133522.1631 77231.64876 159725.573 316399.8761 91703.29772 350772.8348 168513.8322 350709.7572 128082.0528 58911.9287 345887.5846 125841.2165 62502.66698 51219.69273 65933.22097 282788.0444 160477.8851 43827.53538 257848.8754 103551.7529 415948.1756 148848.34 109758.3629 397987.5514 64563.41795 64705.58908 212416.2162 98184.09475 528450.6043 182624.624 96298.38938 67216.01578 328663.0411 105976.1738 128850.238 55004.67413 261182.1779 42301.08976 303437.7805 151663.3531 53637.56639 177992.7164 384635.6526 53371.03549 65757.26019 375655.6751 75159.67922 342563.0346 140087.3723 62058.40165 105653.8954 307515.9776 129696.6529 305232.4137 62798.60875 73541.83314 274076.697 152328.8665 72200.89245 346764.8755 117711.7549 MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate) NA NA NA NA NA NA 81047.6289 71159.4405 64286.37196 59217.9999 76753.81398 63341.31102 74549.06183 72126.17408 76352.19885 80965.60976 98740.04014 95804.39871 99169.48226 96681.08827 90277.16259 67546.91417 99614.43832 113211.7387 76550.06392 39656.90387 159467.6496 209717.8676 154253.082 28406.6326 183661.3217 35362.87587 245948.7334 127220.3111 26716.26244 129656.5008 157742.4794 262878.6423 267951.5877 25744.97126 24138.50648 219477.8918 165165.636 102151.2263 20697.90297 126396.697 198385.7696 28105.92699 269415.2552 167834.7448 23278.51201 79740.60326 29344.8729 217737.8021 175998.6509 25906.15921 132026.6598 137118.3907 163914.8203 165705.7656 21611.61602 123051.4223 115188.7922 35682.08034 23850.17817 223045.0614 223893.5686 141339.5734 26102.41956 156376.5462 97396.17908 62611.18009 26466.56435 86119.15129 110490.7814 32099.50635 26542.25916 102282.703 118634.1327 23882.81056 73918.52934 76358.57902 111658.2337 134036.2957 24273.49878 110879.4414 90330.68286 34236.92675 116187.3154 114787.7264 21784.24965 128963.3624 20401.91167 105477.1353 23204.12634 149018.7603 124832.316 23919.06001 77059.50955 94158.89949 101559.0774 19196.43315 104465.3278 160213.7945 40528.92477 129489.4454 22552.12934 240562.2709 96654.9796 132193.053 145925.0694 22378.11796 133581.1951 128368.4253 19932.17934 174309.2734 27859.50371 100749.5688 196341.2501 242886.0966 35052.45725 271404.6875 247361.565 27197.53554 30721.56405 120622.9677 74001.02789 159916.9146 132062.389 34890.58308 232361.6636 19194.84272 238102.0092 28734.05782 157474.3608 164715.9512 35346.04339 141476.0619 149358.7167 229664.0075 161476.1305 30424.85109 45397.56769 180223.5492 22676.9939 398209.8387 44023.85626 382493.5618 251334.2008 24279.10791 167345.8656 163822.1782 23621.74937 95624.74297 33497.16778 196226.1731 160385.1038 128889.63 32836.57174 124563.588 102698.8912 75725.22978 29226.33328 315170.9736 32458.68124 159985.5401 205185.0888 132217.1144 25019.59885 99875.8552 91893.13929 26787.27693 131355.1807 32574.49744 91638.246 315546.8078 247906.3015 43881.53998 83839.99426 40764.2562 115663.387 179388.4305 24350.57863 63527.02059 74751.82794 30168.92964 95130.92622 Corticosterone NA NA NA 13745.50871 NA NA 15962.16564 28411.55856 18665.8314 21382.89272 18208.59286 31174.31884 22672.32498 30466.76369 24531.0191 32627.81722 25665.84518 19483.01022 17557.39123 15672.2352 17432.2213 21537.2143 21851.19563 21413.5126 33659.67542 16258.3136 14027.67949 19204.13758 25440.44135 17772.64391 20119.36194 34610.12184 17579.71272 35332.77387 11893.1093 19592.53149 17337.98328 22193.05491 6964.91515 11525.22488 21066.68334 17133.43463 17587.32715 14785.96381 16925.81266 25631.56673 20114.22293 21860.37746 11201.54789 13962.94968 19426.20515 25766.12596 26988.88373 19429.71399 13979.35016 23924.78706 22670.25918 22738.29365 22995.16601 9873.575304 27269.17414 18287.87305 7882.481511 14714.53354 17784.49131 8020.819965 21620.33712 23254.09723 21135.47701 17985.86037 9489.675327 24502.55409 17358.35537 27410.07425 13682.06443 22126.55222 39863.89252 18635.33581 15840.82751 17487.87902 21503.62574 17287.19923 10532.20753 22182.90394 33479.57736 9331.939372 14542.01969 12107.1033 12372.25146 13362.10078 16253.08654 11701.69364 12657.41555 17241.12081 21210.48753 21319.35689 14208.41663 11775.42993 21582.00539 21838.9345 15345.37428 21453.16552 13076.24066 28211.14478 13543.46339 19153.53943 34645.65664 19689.47275 26039.67198 23130.24732 11552.1869 13110.78857 25869.06244 17303.87422 18791.5422 14398.73569 13696.26081 23747.22666 31428.82069 14351.29403 24831.91549 12634.81898 28075.0503 24300.54201 20161.91386 26658.64998 23157.37069 25358.90761 40391.17679 43734.37841 16560.72168 19231.81699 34308.56779 57129.67467 30257.94373 16009.17408 16395.38653 22505.70761 16572.88042 10148.49241 19344.73071 11688.49462 59124.26137 18311.2917 41216.35386 25308.12492 15011.29056 31951.67607 56766.27025 40146.239 17366.76977 10791.90368 31270.82346 33035.34696 37977.07371 30698.96033 25769.9961 26362.58864 45579.51733 23187.97174 17889.01524 15746.38844 12678.42613 14073.10955 25557.24025 32061.70897 21138.8571 27783.55704 12465.53981 14339.57281 18342.07262 20202.62804 12149.08704 19387.70717 22634.33094 21095.1694 35440.24596 20649.01624 19190.24796 22796.57603 10335.61971 22093.65909 9637.651606 22476.60766 21436.02673 22387.64606 25157.02792 oxo-MiNP (7-Oxo-(Mono-methyl-octyl) phthalate) NA 44404.44921 27060.67389 4147.802136 71167.64521 29913.39723 77059.25284 82910.60117 65075.03507 59062.79652 77153.27019 73636.2414 69711.36823 60982.80841 63385.37951 55511.26738 72647.97172 62873.66983 46629.23613 59532.36581 41184.75178 53195.55583 53843.03632 71353.06717 63773.50939 61663.54353 77313.50398 33400.65923 92307.94786 49830.62895 39228.43609 47751.48362 32075.82371 36653.06464 26377.7243 62410.80259 29008.83573 73849.31836 22572.41138 24683.94741 25927.16316 23630.04043 41511.30145 42805.20583 17542.05335 29614.42785 74450.08796 NA 20491.02471 23011.80879 22669.67321 36088.60165 NA 36226.69968 44459.42099 24378.25074 55751.37068 34634.27744 54062.47598 22785.9008 37851.76819 47739.77758 29155.37495 17194.78596 20519.32906 19154.94706 50825.64731 70240.68327 27002.54552 NA 46902.53137 49072.45048 26328.1819 40043.28087 29024.24734 NA NA 37564.07861 18985.39533 NA 61282.3224 56139.88188 25399.98542 40647.47128 22510.29218 62859.41766 31265.59188 25282.51563 40846.51413 47820.77356 NA 59746.6098 31169.78033 33461.23562 NA 48291.12405 35053.87256 NA 30067.76169 26275.82886 45407.09685 NA 26260.24598 71992.55779 34076.11017 17799.11127 NA 19930.42319 58174.49707 50443.97642 22135.21543 27899.33886 35220.20584 57044.7401 32772.3682 28431.28762 17589.45613 45122.28165 46029.23327 NA NA 22899.43677 88102.96798 19858.24142 24765.3465 21003.18997 42801.53644 17419.83388 57330.17167 28832.84404 NA 35483.96503 70638.48124 NA 65500.58952 NA 20762.36472 33161.70951 NA 22418.78623 42203.40051 29110.32699 36911.34031 32770.12305 34990.05878 22895.32088 NA 154406.4603 76470.15434 NA NA 16634.41472 23193.04311 28046.54092 18990.00095 36178.38159 18863.00173 NA 14314.04998 65289.10588 35566.43944 31119.17605 18422.02739 24686.96222 16643.42932 80642.53171 21143.08585 NA 28337.51249 13040.90126 53777.40471 NA NA NA 35784.03805 30171.15599 45173.69258 24906.51988 NA 27723.02569 16977.52286 NA 36919.86758 36300.93306 NA NA 60588.06375 OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate) NA NA NA NA NA NA 15395.46493 29214.78926 10704.94836 21408.45832 13120.01396 23281.56463 16543.05306 29483.50363 20299.22164 23077.57846 18986.2279 19836.74148 10891.92103 12647.93979 21499.19398 16079.59497 11205.39629 15186.39673 17318.71447 8075.235498 17914.35289 11294.38247 21167.96178 9139.766605 10750.69265 9601.872857 11754.56888 17741.02057 8957.113391 18901.62505 13352.74781 23582.02034 14810.27142 7358.955615 6715.265251 11361.68114 22851.2617 19394.86382 10692.36198 11180.03939 16393.18673 8594.240038 13681.91101 11674.12795 6543.122606 18875.72093 10913.69283 12912.60604 13850.17005 9002.643959 18087.51753 8690.003908 17734.5667 11141.79075 7373.391927 15449.65728 7223.159809 7602.747482 7907.32798 10563.10357 13583.71146 17199.02142 9017.072263 9827.711191 8749.623504 14738.54955 7577.473311 20766.32652 12710.08072 5772.831044 7895.827606 16165.62858 10846.78028 10848.92693 11267.66766 16251.11508 10771.33472 16901.03374 7735.137161 18874.57461 11625.17958 9729.772233 9651.61801 15592.24809 9435.34753 14915.09599 7557.032785 11294.34241 5816.556341 17017.77068 9118.859035 9115.150016 20037.53806 11982.79891 16015.13632 10157.58309 12255.33316 15237.49274 9308.31922 10301.83418 8712.230122 11543.89911 15209.8143 17703.17386 15386.22114 6757.290129 10990.71277 15491.15401 8307.697672 13153.3935 10811.96034 15472.67682 16079.33701 14200.46021 10866.13578 13111.45626 17518.12789 9750.805589 10550.98349 10991.26722 23730.03309 13670.0946 6713.666341 9091.163253 15649.35413 5694.188795 5658.511885 11242.76761 17978.88315 15080.44445 10730.47938 20794.5675 17421.40851 16019.33791 17663.9509 9601.055565 16919.70376 14831.67103 10297.6432 13618.76083 12329.92358 16984.32398 16421.09759 4278.44682 10740.75426 12757.19879 7979.267052 5820.698776 10132.18958 17165.45962 13194.19883 12264.24734 11164.96636 20791.82537 14762.17166 10601.00284 9189.967795 14018.84698 8246.511448 21977.77006 16686.46012 22680.14169 8738.801783 10169.00517 19221.48428 12017.27542 16381.85228 10889.22135 18542.43385 17076.37577 23122.07009 11822.47795 20583.10782 7561.333839 10153.91901 14465.6784 9767.074122 12917.80916 7985.568625 9594.786801 24841.53689 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) 10913.91185 16143.53167 NA NA 48537.95663 26007.26334 49401.49412 49917.15008 53088.66551 46037.38109 53003.00918 46895.45271 41604.78733 44855.05194 44975.26381 47584.99595 40767.45305 57617.22852 61934.61123 45728.8827 64803.38552 39363.58789 45967.86363 46280.06991 63630.83229 79560.1412 76508.68551 24891.58266 NA 30763.97938 NA 50088.55994 NA NA 41764.71408 NA NA NA NA NA NA NA NA NA NA 10603.87779 NA NA NA NA 12309.91198 46933.81208 30952.52647 21272.4974 42850.81752 32445.04609 NA NA 86183.29453 NA 48203.22903 94051.32767 NA 47187.54838 51928.87636 NA 100951.5355 79110.73391 NA NA NA 57001.3792 63996.59347 41423.88418 39334.39243 NA 14208.12547 38935.6004 48879.80575 54034.77212 14151.69165 36333.46649 NA 70422.88071 43525.79664 23832.43588 20762.69623 NA 22474.16484 28137.81768 NA 35654.62309 24151.80763 16233.9662 NA NA NA NA 30327.9991 38039.62434 81948.34945 64234.19116 21062.41501 75336.35823 58978.49364 41758.75469 31631.62634 NA 30328.9945 82797.13729 29074.99496 58815.76187 38401.7375 NA NA 106250.5887 45093.57383 61407.72255 40576.74181 139532.9693 89602.67001 20223.7826 105205.2366 49453.96962 NA NA NA 11709.38142 33577.21324 NA NA 11990.1295 32804.50619 1089869.236 83025.22141 NA NA NA NA NA 16766.04688 14475.81265 NA 16069.69832 NA 19291.63857 22436.5845 36293.89582 26934.42925 29948.45281 NA 20861.25593 54969.40038 42801.78667 82736.74975 22741.87879 28152.78361 NA 65300.80761 NA NA 14399.10696 NA NA NA 43046.94121 NA NA NA NA NA NA NA NA NA 20966.45595 NA NA NA NA NA NA 11520.2337 NA NA 21347.43268 NA Cortisol 21-acetate 47902.30816 NA NA 40961.44161 40760.27525 35746.39841 54489.60259 58167.27789 62451.76409 53262.60713 51947.70677 50474.48076 45679.92119 50996.75456 45479.70675 45760.86239 52756.44412 59721.33193 44931.86227 45483.14137 51870.96209 39758.40854 47606.25137 52598.2371 51076.43492 18348.37916 25916.38001 33270.1037 38759.03806 30374.24306 19293.32993 25252.08117 16449.00065 28595.71498 25587.52519 24972.74041 30356.93432 24517.32721 29836.54013 27845.4777 19218.21724 32315.4724 22485.87819 32280.80874 29218.77789 28299.56048 32537.56231 25039.03164 20257.35828 50862.5178 29147.32081 44571.49349 22348.95984 25965.95662 24894.76823 24959.22656 26940.43503 38511.0618 29597.9059 48605.43894 22510.34991 27545.97978 31313.63604 16608.1175 16132.94226 27650.0321 28476.20279 25314.82219 17345.39703 34673.287 255354.4909 18331.44484 34228.21226 36869.58072 41487.12682 26156.74444 24216.57279 23766.13609 37295.61347 19497.15913 28432.46974 29208.32285 85818.88792 45489.06292 23068.78815 23602.09771 27689.03102 27437.54237 27448.33533 18267.54596 22235.62233 35058.5654 22218.21348 34339.50972 33135.43576 33937.41397 54534.51577 24621.24718 24482.48793 32099.42241 21988.97245 27686.37033 24354.8843 26267.76439 22152.88697 23765.52732 22379.72277 44183.17794 33912.01328 23325.52003 22043.60199 34883.80349 40987.00731 25928.25672 21419.06795 32435.20416 19374.91168 38893.96591 32378.34869 35989.63513 127570.6333 32428.49793 62428.70031 30992.96499 38559.40988 23190.93847 28272.57199 29256.38606 25445.95762 18593.20568 32538.16976 21375.51444 37757.84076 17983.94599 23763.94132 23778.95941 27953.89406 29290.97194 23083.68378 39217.94622 29034.11309 14619.62894 13456.34817 23708.03937 20245.37917 27219.22578 26225.40527 15859.40629 27332.09594 21536.78336 19461.45043 29700.10143 18813.27293 22831.28405 17193.80878 34530.53045 24793.85581 31238.1411 13700.51878 22791.93474 21690.98579 25314.76416 20639.54287 34065.88327 17588.48818 16287.59276 21499.33145 28247.75629 23574.41462 19432.82329 25767.40325 18605.04605 31266.06765 16910.82322 23514.9991 21593.43309 27568.87657 21579.62909 24243.3108 14406.09087 34529.95875 34548.90196 18931.29611 24324.10732 20970.30298 26247.63234 31071.04237 Benzophenone-3 (Oxybenzone) 39117.39121 36825.32259 37203.57364 47649.79269 60670.8435 51511.25136 37399.38188 34123.71426 35488.10118 34921.31325 40749.63285 36105.34187 30008.27933 33113.85438 36302.03611 39264.3063 38641.40977 41945.763 40455.60366 34752.4973 42151.84335 34856.95573 41755.9476 30474.66225 42590.57464 34982.40139 29346.03452 28610.52938 25180.25953 34158.27828 31159.60882 37682.98597 33195.8541 31178.55464 38630.88812 31989.47129 35370.79522 29101.65879 32886.80896 40374.06143 39496.28938 38553.72462 31280.76194 26581.39077 32430.15092 41424.14803 31988.03573 42723.76897 37407.68202 47441.0261 32287.47485 37970.10328 52439.04957 103148.3933 35352.23659 46897.57093 32054.40521 37380.66511 33644.53454 40204.00745 41161.62487 38619.12619 28779.55107 37178.62311 36219.02485 35914.30459 42556.86946 36965.0313 38110.7919 38151.80981 28001.37227 41413.81799 41230.55932 44692.50215 41549.37011 34705.72367 37581.24003 34468.03461 43829.32097 38736.24478 31934.90747 36717.57316 35121.42119 35642.74518 37245.48393 33968.7054 33672.82487 40191.14468 33014.95612 29762.4167 38279.512 35923.20242 44851.45248 47696.34895 38102.66031 29565.71616 37579.41783 41513.59598 96642.24185 43039.99268 37718.80594 44682.20102 45975.8674 33328.93354 43024.603 36775.08205 33799.73184 37996.8266 46413.61304 35399.3198 41389.89331 37346.42194 43755.34404 42249.78725 34243.36455 41294.52806 38096.31678 39663.95907 38983.66103 44911.35284 48177.78055 43648.29201 58355.06245 49601.48012 43901.38632 41679.64706 35960.69384 41603.69331 40178.39723 56544.14875 48915.52955 44497.64275 55667.30236 54302.14335 35809.63442 38983.62116 40243.79892 31901.99802 33954.00838 38620.27387 34349.57922 43607.39553 49971.91216 40064.74513 47798.15541 42002.36403 42802.98839 42449.93323 26354.31849 34027.18322 34169.49175 37062.39722 38443.39829 33058.42246 40907.40549 34848.03501 35833.51273 30132.95804 41165.34261 39161.73075 31514.77995 44191.41453 36696.3365 38423.30578 39223.43488 38074.99729 44771.43416 37100.93248 38476.10113 42019.53042 32785.76215 37837.64948 36765.50855 41739.84913 32277.93312 34333.5013 31262.92594 37182.54175 37471.63086 35259.8395 36213.36794 35420.47281 38808.66567 41667.06186 35901.07248 47502.53475 36560.74999 Benzyl paraben 41254.63518 37613.08131 35700.50902 37989.97152 35804.99696 32553.47825 26297.49536 31609.12731 27303.71992 29978.41536 34359.34933 35582.42146 28111.70729 24459.65882 26460.78393 40472.9013 30081.72206 40247.82095 30305.82861 30079.11129 32382.20857 36435.92727 30781.02239 37191.52437 33952.83239 34443.56716 30422.4651 33161.90757 23357.99434 34039.44017 28025.54102 31910.70753 35015.63762 32578.12001 27977.12172 24726.14639 26724.54239 31472.54751 28558.94462 29458.17471 37627.83352 36591.25851 24379.11507 29436.82463 26909.25981 32463.08212 30564.86032 39236.79319 40934.40025 41379.67814 32216.59587 30020.73333 45203.56553 92000.36045 32179.99553 40524.41508 36190.90562 34451.07794 35443.31852 34946.75163 40824.93463 36893.11398 35988.67541 36784.02006 29931.27535 29909.78576 42579.69372 38355.21378 28950.18736 30149.76601 35965.55919 34312.64 31483.35138 33017.23893 30582.26038 25864.94649 32180.82433 25384.76142 42438.68407 37791.12013 27192.6681 33437.65755 34170.31502 22769.36695 33350.32793 27808.69761 29133.09085 31114.86842 29640.68337 23784.97587 36861.60808 27496.22655 31697.28397 29390.31909 38543.85417 25847.11683 31760.92336 41798.29314 88848.53999 33107.43187 40775.10618 41382.72468 41455.86005 26660.84029 30950.82259 39607.645 37555.10589 28386.94736 45496.86069 29345.82963 28152.56649 30556.10457 27803.02785 34774.47065 37279.18823 32159.0108 29817.88738 39116.14111 30596.44272 35229.512 37903.88522 31807.09868 61847.13773 35907.31229 31279.94423 30521.87299 39538.73173 39995.4273 31911.09441 36742.69807 35430.01929 37931.48149 33734.83029 38865.58332 33328.46918 43707.54939 31251.00422 28919.49352 38527.6113 34745.00776 33086.60213 34541.07742 26500.26809 31277.34767 34541.82531 30626.14478 39231.68347 28202.73533 27324.73855 31265.10159 32161.95682 38355.02564 29404.94074 27353.97473 32015.92001 26016.40397 26679.77502 29526.44848 44632.06673 29174.92738 25438.99403 33000.23945 28727.40748 37280.37252 28230.33317 34751.10512 32112.19551 33263.3463 30087.24108 32900.27703 30766.99624 30594.51418 29431.22972 28950.03376 20207.18703 38926.4155 22701.89667 32355.58396 27751.30892 25907.82194 23753.21732 25725.38487 29566.99742 26798.40452 39897.5672 31231.40007 27819.24322 Dodecanoylcarnitine (Lauroylcarnitine) 66383.91447 56071.20661 60461.98549 40784.64798 36913.5228 37525.09943 299965.2968 309886.1662 278648.1068 290050.0336 288800.882 271880.7921 273091.9652 266902.5429 278568.322 260313.2298 251310.2166 275238.3968 282999.118 229659.9204 276079.887 229153.2084 280228.3734 282360.7722 272025.1115 1122081.881 689214.1659 506135.8895 300176.6521 453512.8694 282903.1371 1045958.411 401278.6002 871039.6417 334502.2093 252254.118 223821.1303 406271.497 326612.3057 495811.671 869892.2744 332130.9221 649732.8405 330939.0042 306453.8509 209362.3274 526862.7718 866835.6988 388328.3501 127419.0404 203310.887 239486.4106 329596.0722 205005.4693 177283.123 407813.9686 368543.8211 241621.2629 308274.0759 225524.5365 465485.1763 658274.0521 356457.7211 727884.0967 130989.0604 105242.7702 113535.8266 573533.4726 618660.2152 340237.2559 120097.5202 145426.133 146670.5735 110268.4774 115382.4838 98930.77015 660979.3273 404383.233 326786.0508 248988.8082 142232.6697 235555.477 163761.1958 250392.6244 306784.6549 165386.83 145610.6104 164833.5934 276737.0588 428170.8497 580902.0364 377339.593 522946.6313 296500.7627 191397.9857 161552.4087 101963.5985 318294.7677 298504.1968 227451.2766 164223.5321 139393.2484 107588.8398 233010.7704 287666.4088 141423.7864 568373.4922 254320.7172 391375.0356 350986.804 331042.6282 543222.8267 128016.91 136540.4677 124178.2122 184975.4758 283167.3008 184096.6341 312985.1201 229687.6939 362122.2666 111777.9724 155751.2937 210462.3522 484253.2705 202725.8614 396581.281 165922.5823 223757.9869 92172.83514 131285.2656 111854.508 130698.7177 1085734.776 572559.207 331016.784 202425.381 193885.2424 112221.0929 133522.1447 148769.2591 164063.3528 324067.8965 142034.7276 201069.1958 118179.422 399492.8471 152007.5969 230997.7755 326131.2465 139242.6766 147637.3916 227595.4318 192466.5916 167502.0643 130970.4739 116311.0433 215045.135 425934.7992 280769.5016 227587.5248 114026.7072 219137.8563 154079.2275 283044.7011 313661.8615 239939.6488 467861.9962 447333.9872 177277.2088 213367.0758 414685.7221 230256.1453 457681.9374 346386.0156 326528.4692 470632.1022 600409.8593 329810.9177 472017.8041 189673.1111 294578.4507 426412.1093 440093.73 111443.2709 143246.2062 148031.0768 O-Dodecanoyl-L-Carnitine 49455.08416 47897.38888 53258.61991 32330.88563 23374.54927 28194.79967 294924.7069 297175.234 273296.9863 274727.1208 277063.658 253022.8198 263945.316 250140.7932 270972.8972 271371.6497 263291.3039 273227.4653 252315.732 238799.103 252803.7749 203893.2631 248106.4731 266724.0488 267484.4654 1122081.881 689214.1659 506135.8895 300176.6521 453512.8694 280329.7786 1045958.411 401278.6002 871039.6417 334502.2093 299933.1673 214786.692 400886.7925 326612.3057 495811.671 872103.7876 332130.9221 701310.933 330939.0042 306453.8509 209100.7576 526895.1324 866835.6988 388328.3501 189165.2794 203395.2441 239527.6371 329596.0722 205005.4693 177704.1068 407813.9686 370082.0533 240540.9979 308274.0759 225062.1743 461794.4846 654674.5032 359833.0638 723838.7344 132158.5238 104506.1962 113535.8266 573156.6107 618660.2152 340266.2453 119750.7917 145241.1297 146505.2664 109989.8088 115804.2106 98930.77015 660979.3273 404383.233 298459.2719 248988.8082 142232.6697 235555.477 163761.1958 250392.6244 303834.3817 165572.8813 145566.2916 164454.4801 276737.0588 428170.8497 580902.0364 377323.6792 494128.2752 294747.7187 191397.9857 161552.4087 101963.5985 320408.432 298037.8494 227451.2766 164581.5073 139393.2484 107588.8398 233446.8425 285471.4211 141388.2133 571732.433 253930.7718 390429.1532 350986.804 331042.6282 540939.2186 124787.1372 136540.4677 124178.2122 185027.5385 283167.3008 195739.6965 313241.9533 229687.6939 362122.2666 112586.377 156160.8169 208092.4183 501071.2209 202725.8614 396581.281 165924.1495 223757.9869 92172.83514 130880.3371 111854.508 130698.7177 1034994.277 550805.422 331016.784 202785.8863 193885.2424 134238.2137 133522.1447 148769.2591 164063.3528 320863.097 142178.6844 201319.2909 119619.8477 395524.7818 152276.6044 230997.7755 322200.0089 139242.6766 147637.3916 228161.4463 205374.741 172766.1386 129652.3572 116311.0433 213862.9295 426711.241 280469.6235 227507.7227 114026.7072 219137.8563 154168.6974 283044.7011 313661.8615 239939.6488 460407.1396 447333.9872 176632.872 200163.4167 414685.7221 230242.869 457681.9374 346156.1886 326528.4692 470967.1596 600409.8593 329082.9388 471651.3617 189964.9202 294563.5264 426412.1093 414803.5339 111443.2709 139125.6282 148031.0768 Omega-Hydroxydodecanoate 767059.8646 640837.0594 732564.8987 876483.5795 821018.2754 901985.2817 801883.941 829880.5283 830798.3348 793637.863 845718.5322 874402.4538 863002.3609 840201.3175 832067.5067 865012.4167 872632.4785 971819.1008 892224.0433 832804.2129 851854.6647 658728.1365 719275.7822 819630.3213 802567.448 765039.2994 739260.8362 693479.3272 585352.3641 802946.469 762930.5446 778743.4143 679457.7051 618009.5772 750233.0506 671278.8289 712331.1533 634960.3471 766026.6342 762750.3322 782193.4938 712376.5276 622921.4467 665929.2796 785118.872 709548.6334 613539.3867 822440.2163 727757.497 926708.1291 831097.8224 732513.9793 896714.948 750002.495 727775.6082 844085.0061 764755.4355 824094.1511 695000.8708 763080.5383 831211.4223 734044.397 772773.6685 762116.7253 904248.6087 708001.4496 743519.7979 753494.2209 824562.2925 792342.7727 822018.1783 753980.1112 806176.8651 706280.0788 842722.2537 1028869.293 946064.1954 702299.9822 821718.5897 801055.2869 678401.7119 745973.4609 787491.3408 772050.1574 853709.528 731456.5359 780419.8289 829603.138 728474.362 700459.5943 789509.1465 756118.1732 878427.5516 789410.6467 843094.1972 743653.949 861291.7903 898989.1289 771673.0402 811141.034 753198.6777 904678.9816 797364.5575 748505.4658 848491.781 735389.9445 870085.3045 851079.6725 768149.9986 701754.3263 819559.2966 832816.8866 840850.8508 759389.5254 869140.5116 878644.168 895046.5201 771935.5374 767379.2284 830970.8796 961329.3776 857065.9195 737394.0069 963809.9069 1126929.274 997302.6915 863656.3861 934269.8024 894340.9775 1063239.339 1033421.711 1075819.435 875109.8313 1023599.141 833268.3013 960845.2947 1043929.436 755311.2401 847645.4352 849879.0218 725307.6451 927306.2185 1004852.696 872238.7575 901455.8615 849078.2038 931896.082 845516.7932 717279.9554 898527.4849 790701.7264 924633.4085 791685.3487 679147.9904 910747.3137 740904.0801 772641.0604 859293.9981 928378.7906 718517.5565 774564.8421 876192.965 855936.7946 798911.8458 850477.5619 727638.2557 871850.7647 781817.6676 870855.7663 831882.2937 768512.8395 917022.9185 852440.0989 981921.3446 768259.6404 842444.8143 764417.3038 912243.4883 727531.0486 904192.7737 807279.7061 928264.6292 965714.7445 845641.9454 960654.7592 1130396.037 871868.2732 Androstenedione NA NA NA NA NA NA 14055.59472 16042.19184 14029.89894 16086.01304 13215.87909 16621.90347 13885.33255 13589.47384 16029.58825 18624.45975 17392.31313 16386.00192 11636.93648 14484.80749 14734.72993 12950.96016 13237.03053 16355.12688 16340.69212 13793.85182 10361.75872 5720.179049 7434.577826 6078.703795 5955.426766 13891.24342 4956.109588 14302.78332 8860.151274 3914.495041 4519.488821 10416.63263 6389.825198 7374.892592 12459.07352 6883.898196 17358.14353 21388.4578 25243.81403 8951.340124 6917.809767 7537.439045 11080.67797 NA 8484.006765 10335.09573 14176.38677 7907.739312 10781.29321 16091.38201 6334.876085 12397.77502 9203.213094 NA 14671.51258 7287.569715 3952.444573 10850.38342 8736.770007 4567.091159 5115.659395 6814.651389 13294.23007 6941.815199 8713.038253 16517.74786 26197.70126 6648.248199 NA 4856.801694 6309.074845 4098.49945 3684.438424 23949.34747 8449.427 12259.79512 NA 10927.74247 11752.43274 NA NA 4740.650134 NA 5114.676004 7316.779975 4448.80695 7838.798526 5552.999479 NA NA NA 11366.63443 15455.05112 11323.79254 3760.137272 13368.04404 NA 15096.30237 19276.05306 9745.749404 5794.357821 NA 5680.136823 9053.287651 6740.338332 15186.87346 NA 7864.827383 17364.42087 11015.83929 16067.44164 NA NA 14164.4639 5638.039269 881.1739841 NA NA 9079.044319 NA NA 7224.070427 8416.412267 19012.98543 12221.86608 9713.549695 7969.404483 20962.31421 8226.041985 9419.238383 7203.258104 21419.26234 NA NA NA 13502.49568 15317.95961 10728.89782 11003.24226 7307.706255 43272.9762 13012.27317 13543.89379 12490.89845 7695.578586 8500.220334 11569.6875 11071.38023 13841.38984 13430.92732 5925.927506 10482.52882 12660.71424 16325.70788 4934.355639 NA 4039.226683 NA 11464.1551 NA NA 9669.689976 8436.517198 7521.282703 4271.96076 7490.490923 3237.154867 5301.842672 NA NA 6509.786294 NA NA 9044.232237 NA 7166.023874 15629.4878 12765.53123 NA 6519.142962 NA MHNCH (Cyclohexane-1,2-dicarboxylic mono hydroxyisononyl ester) NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 20676.6627 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 7324.827297 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 9224.189393 NA NA NA NA NA 8428.155755 NA NA NA NA NA NA NA NA NA NA NA 2986.830204 NA NA NA NA 9215.766171 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Glycocholate NA NA NA NA NA NA 130105.4496 140634.6234 144093.3771 152232.8627 157544.1556 173442.4513 150773.4426 160299.3201 164647.934 173978.7583 162290.7191 205457.7218 171845.3494 187576.1491 184216.1405 189238.3458 207677.1322 208966.5078 231148.8155 53344.23632 NA NA 136335.6262 217998.1897 97036.08311 37070.00158 NA NA 84399.96415 97335.90055 NA 150676.7486 103988.3509 254809.905 194223.2445 74367.14579 164731.7211 401297.7286 427590.1062 165624.2355 139836.8521 105208.528 NA 223452.3142 833595.3179 421070.0901 222152.5822 96323.44132 103513.7366 NA NA NA 371582.3071 251136.4533 898930.5122 327274.126 157889.5216 383189.2251 137202.833 NA 61199.53176 NA NA NA 76419.56524 112815.9809 122418.0916 203395.3704 102177.3299 326991.7984 174402.3088 115191.2332 83913.52165 134966.1285 NA 67576.10775 NA NA 37793.31933 103002.3815 55878.0787 144197.3301 NA NA 70697.82727 NA NA NA 147854.2304 65929.10592 41087.42697 75537.21533 NA NA 224918.1352 297837.3373 108027.6042 237718.0198 473168.0053 113164.4846 192776.2987 63362.38103 NA NA NA 61022.46577 213907.2081 308979.7824 510135.2471 82848.8567 596799.7806 114387.1952 NA NA 56259.62236 90710.33891 202738.8009 226767.7915 215920.0917 64712.28646 168299.1473 NA 69628.94695 145038.4323 227044.5289 611775.3773 267952.9521 NA NA NA 180667.1776 138119.5175 74822.66299 127226.0715 136572.2635 153133.224 138429.999 64239.40296 124269.2797 105541.4037 373334.1045 40822.55158 216738.4701 472394.1827 120345.9304 67583.31912 144003.3445 98031.443 NA NA NA NA 79386.21977 NA 481083.2675 232606.1087 681609.5748 72229.82714 215916.8274 237660.2185 120944.3947 408401.7875 481425.2249 52405.45789 92338.44536 220307.097 173529.875 432598.5011 252098.1376 432027.5303 728180.9913 1343509.668 206282.3996 322952.3405 104569.2765 NA 57431.61244 NA 212964.4884 565344.7777 405816.9497 2-Undecanone 13848.00129 12289.62883 14215.76068 20636.6134 24737.10266 18549.99664 27194.99384 22728.46425 22428.86019 19911.18817 25392.53946 30076.89858 19677.6109 23265.47997 17169.93292 22114.58841 19128.3003 29789.58312 27642.37947 23805.10385 24824.35671 19297.25212 19971.22368 15722.11116 33383.80263 17922.8737 25371.85549 20522.84006 21569.38133 24453.6294 19280.36721 19611.19945 14447.9244 21282.45586 20508.62045 23181.00131 20254.20299 22075.54193 17660.74325 18417.84826 19301.74316 22143.54027 24165.08105 21696.0456 13253.46016 18868.78498 20190.13916 24809.66242 15528.67797 27841.87606 19126.67517 16632.18295 19032.19359 20758.17679 24492.26856 21797.14282 19550.97554 24332.92471 16639.78799 22752.11844 21316.59371 22265.26611 19595.16301 29833.99262 19713.71233 21991.1585 20767.6554 22766.01548 20166.26692 15889.8698 19741.17151 28616.33113 23766.83141 19117.30362 28411.12779 17710.12846 21470.51822 25108.22385 18849.57058 22592.50541 19036.21349 21353.5637 17727.14094 27239.05709 20543.72492 18280.06828 29271.77197 22618.29415 18933.14208 21382.67093 19737.15189 21867.20867 21933.95896 21623.84649 23740.04149 22146.49231 21346.01424 22143.03841 24041.9967 17628.9817 25788.64582 24062.1262 21509.70147 23845.50449 18058.03509 19844.14658 19316.7866 29652.64424 25146.85685 25222.17533 22057.26345 20343.27547 31016.82713 20800.0884 17906.67748 20286.83504 22517.80099 23580.05898 27402.48582 24229.71525 16012.7585 27648.88343 26603.33501 20860.71813 23095.57805 20415.6862 23355.04407 24317.53019 21637.01101 24275.29719 31260.06565 26728.08342 25439.46983 25282.57152 24058.05334 21086.72252 19893.53626 16937.67302 22645.33582 19129.40624 21601.28215 21748.72505 22631.31268 20964.74586 20368.1862 17465.71351 23779.71304 21915.71516 25561.6163 15629.13264 16345.17326 15536.64526 18650.46323 20278.80694 15935.40027 24502.85616 16827.97535 22680.79641 20044.47942 21734.9184 22779.62433 20465.9709 14003.16983 15763.95306 17207.42852 23239.07866 15825.84133 23889.04036 20307.90907 30101.10371 19503.40007 16343.28652 20686.52778 23574.07479 21974.91459 24978.69449 25255.94344 20871.186 21009.26879 22438.28454 16520.24178 20292.15931 12683.21345 16160.94344 15024.05532 18468.47593 23362.49058 O-Myristoyl-L-carnitine NA NA NA NA NA NA 76189.66189 100632.8239 90896.95603 84661.42754 103140.235 98135.52184 97558.4681 82467.64429 85675.9431 79137.92029 99479.7894 111362.6071 100588.0895 78928.49039 90933.70698 74997.00855 87118.55893 87991.03661 94083.04281 73245.09753 121056.7836 116998.6963 138128.8374 50146.89525 139655.3204 118838.0413 116176.6411 238355.8704 26771.47246 89541.62051 93937.42827 222046.0179 149083.4967 63563.17756 45553.04615 85103.02483 93525.75131 263151.0027 49376.50247 190870.0949 104684.1504 76545.53502 138552.7212 83162.91235 31478.99191 122743.2408 43414.59101 99136.06623 93474.21143 56779.34129 186490.5998 135411.0994 153542.5463 114659.6397 49672.36161 117211.2868 68829.03223 53812.92901 18363.71594 76137.64912 90961.01397 143423.0138 61956.03324 122150.3246 75549.64648 88338.77133 28300.62247 68281.74364 51436.22148 24748.61202 50582.77027 100946.9627 106327.5283 23755.96566 108159.0334 106694.1113 95137.66739 175605.958 37712.15339 142658.4454 149733.1974 42048.40537 118661.9602 157020.1313 53961.83054 146629.9646 65211.3975 126567.2011 36355.62766 139972.7987 120528.1428 34534.12675 126299.8236 90474.65344 136852.9234 29489.2593 111055.7936 130081.9686 35509.6573 78446.97766 43127.22424 92537.96236 100822.6317 113016.0591 196384.0671 52213.19608 86684.99973 93936.70956 24342.16461 131496.8541 57944.13449 145975.0465 177701.5042 151128.268 45946.97289 56283.81668 98974.94674 22075.28835 42849.10433 79031.49441 83004.98784 142759.4767 183802.4329 22978.14765 119183.3018 23155.17884 106172.25 56176.01548 127048.1782 96742.7275 26361.69898 84264.29797 64497.96654 142808.4842 179722.5615 20638.37383 112188.2271 103012.978 36143.35307 115469.6968 83714.2276 186467.1503 107007.7653 42249.26298 76397.42287 73541.06626 25655.54124 80677.34777 22842.57037 84942.26136 80336.13792 127040.2053 54709.10336 160259.0157 76828.75491 83165.48728 29920.76003 128904.5536 39377.00519 85643.9222 123326.5257 96976.11109 51762.71675 92787.6754 128000.5455 47771.01788 81660.85858 37578.29304 91850.01477 110086.5075 141554.1048 42638.90396 108292.8574 48995.16367 91243.68165 115958.8325 47272.65962 105710.1357 73862.22053 25360.462 76933.15832 R-Budesonide 47750.19689 NA 18458.4067 64210.52924 58385.98581 87359.0333 88539.4459 75734.07428 81176.74708 70183.37916 78371.15064 81426.89515 72662.19085 68786.41021 73133.02064 74536.61258 67737.93447 76174.07682 58681.67717 67797.57679 65403.16992 51825.21726 47843.09276 50635.41154 58050.76109 57456.55853 145276.8202 111067.7536 82886.19308 30670.42102 115525.3941 122015.8412 111895.0781 93469.35593 52120.38719 80668.65517 64431.93259 76428.11205 105626.9286 63062.2054 42501.11272 126564.0556 130162.5795 86961.24509 35106.75338 133849.6969 100230.9937 34453.63956 102467.6584 94306.22187 48344.63059 77460.13235 32273.16297 76050.15141 88297.49434 70287.70111 90789.76022 123372.7301 165329.1501 133031.67 30303.154 144821.4734 207689.2861 17241.37373 NA 115290.0121 127318.6448 150531.323 42145.78801 189175.1044 100509.7876 187322.8335 60143.08607 109144.271 106106.182 61018.74521 21621.69565 88177.33136 125348.185 31789.84134 88923.07836 76267.26482 147186.6925 81462.98033 37717.965 180017.555 114841.8032 44143.93572 143645.335 86756.75228 35862.24986 147244.7569 37956.01689 193557.5421 37689.35885 71515.34731 158176.0481 40572.36304 250612.8369 65977.88122 105969.958 43294.1922 204068.5533 162932.8901 58103.55372 141498.8114 96882.26886 97693.86052 229715.8544 102425.3137 88830.05766 59059.0569 95952.91945 113177.216 43286.81683 52388.82129 95948.07314 128155.0171 181379.4839 126366.0779 NA 90240.65087 94283.64856 25924.39411 29431.64872 106856.6776 143723.7907 72857.19213 92473.61947 47327.67213 161960.8121 24492.14185 121075.5843 35319.62627 60354.7802 104428.885 21941.14649 90348.25716 91953.22648 72880.9184 75186.98576 40247.74602 161108.8688 88290.28534 57560.66954 112421.5459 53520.82782 89834.7608 78608.19855 64325.3045 77701.30393 104941.5037 28578.96401 82907.69412 27983.13941 68030.14388 102463.6841 73752.44562 22984.02738 136930.2689 91900.24397 114850.41 46250.64751 85487.26137 26794.48869 183872.6031 68295.24985 100859.5632 31454.75626 105781.165 65018.05826 38151.94111 96834.46087 28108.80977 109296.4426 82280.22898 58024.80169 22801.8952 62472.01521 34509.77067 89918.3975 75049.19474 28702.06926 161758.9205 140658.6737 15979.76062 140824.1412 Heptyl paraben NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 14085.69577 NA 11132.45696 NA NA 16051.29838 NA NA NA NA 5984.06879 12066.10676 NA NA NA NA NA NA 23143.42109 NA NA 8851.204122 NA 11788.75692 NA NA 11261.81738 NA NA NA NA 10395.27908 NA NA 28617.76352 14775.62523 NA NA NA 11726.47373 NA NA NA NA NA NA NA 34792.43925 NA NA 17161.22438 NA NA NA NA 7636.462111 NA NA NA NA NA NA NA 33278.50958 NA NA NA NA 13291.05787 NA NA NA NA NA NA 19729.3458 NA NA NA NA NA NA 15137.37021 NA NA NA NA 24047.48597 NA NA NA 18305.92257 NA NA 27209.05196 NA NA NA NA NA NA NA NA NA 11662.21543 NA NA NA NA NA NA NA 8280.027735 NA NA NA NA NA NA NA NA NA NA 10217.90773 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 7571.628863 NA 9,10-DiHOME 14758.04274 7303.555366 11220.12396 26801.74458 22635.5561 16281.78848 31085.70422 29018.19545 32775.86199 30745.38318 31574.43181 28370.65634 32298.40623 36633.53735 36905.6123 37858.56503 35866.22434 36068.38144 37481.28952 42286.0514 37546.58712 39743.61168 40799.01925 41396.37109 40252.47369 22636.37848 22640.88527 24408.71815 58544.65989 20821.84344 62181.74065 24647.3312 30917.67443 37293.73892 19632.92177 34272.31692 9229.287294 61756.90021 51200.88143 23658.09082 30488.17618 38031.99634 52436.6897 25974.16388 22958.39876 12672.89207 42746.77099 20001.66753 38215.07638 39939.70168 36315.92162 52171.62949 31621.50476 23799.3396 17173.36244 22532.87203 80243.73798 93046.61822 26660.20734 29669.51537 28083.53849 26313.77552 20845.25196 30978.88007 34729.46177 25172.33848 25998.87522 24804.40177 15224.72078 19027.58209 27971.85541 39276.38031 21292.5304 73841.81854 80754.1931 24837.31409 28157.39931 34651.24679 31422.85943 52936.64206 40525.68723 57801.61711 24739.73287 39707.35704 20716.23334 30542.90615 41785.87259 26921.13262 25011.00499 34984.07229 20253.61354 21028.72147 21235.89913 22549.72718 16571.01929 28062.34352 29280.93372 16833.33363 32722.25059 41803.23023 30987.14951 20392.56187 35298.66989 32135.56641 26969.38875 16880.50107 24534.61333 30527.43978 28929.45843 42298.36842 24648.88283 31722.08202 51058.57907 54497.16276 38875.76604 58036.84727 32133.3932 46936.06964 46037.62668 59510.04949 18211.76593 37210.03064 41664.82651 52982.6155 18001.37295 34513.6348 37594.17854 10999.69054 37395.19062 20544.24544 44582.78548 62228.56826 35590.4923 23866.96938 28295.94539 26304.45831 31787.43245 91207.80506 39743.26675 45403.40259 50353.15818 23312.26171 43461.02455 36092.05247 25391.87454 18577.51494 78885.05149 27532.55381 22220.22889 19052.37851 20530.31462 33147.87596 21460.1479 29008.38255 25585.68746 16294.60116 12509.02495 9974.402624 23148.87078 44147.8988 36998.15719 32245.67478 30057.254 20371.86146 27358.8437 28890.06119 22334.703 33079.24593 31098.46214 34813.95807 33338.10139 43025.88736 77638.7984 164778.0091 112527.3838 16706.60032 20838.07125 25782.07285 40104.57076 30863.11252 22316.59113 25734.28638 20749.76783 33458.00832 55154.05543 39208.2956 53087.6026 MOP (Mono-n-octyl phthalate) / Mono-(2-ethylhexyl) terephthalate 505212.1955 444215.7036 532702.8506 639045.8988 707991.6431 651770.6894 827083.6565 861789.0631 877455.9626 881945.8969 898284.7154 879309.6727 882614.2494 864891.1785 828752.918 880599.3027 888156.5992 1022349.464 982740.433 924953.3066 896663.8105 516391.73 531695.4385 559447.2171 577936.7786 485731.1833 426779.3181 454453.2082 385254.3973 502052.7302 456904.4856 483679.7904 434667.3288 467879.6031 524691.5587 403935.9332 317121.6666 444011.6338 422292.8637 508045.8726 564969.8751 438613.0259 395350.0106 431009.7568 503617.012 485056.5549 427043.5949 611417.1723 478013.8753 545842.4172 587773.252 530300.1165 659173.7643 509853.4465 529641.5263 612794.4304 539774.0466 493679.6259 505438.7828 557922.8941 612258.2644 630473.158 506253.2231 566180.7036 698425.9863 449324.3407 502771.7277 489876.6247 595757.3558 553929.5274 560497.8349 537799.7585 600741.101 452812.7828 535802.3611 381771.8629 597833.8393 461838.8892 535318.6894 579426.9422 434555.3598 445476.7083 495872.719 495701.524 584762.2937 504591.2194 521492.8108 534410.9313 464782.5717 467482.3778 563994.5501 459538.2329 598296.2009 525993.4116 598135.7748 462281.5219 523564.8135 555997.1487 569288.9587 610118.4724 531086.5897 698527.282 565039.1971 490948.6299 658022.3629 445214.6117 707256.5277 557367.1389 540397.0725 601050.8374 567012.5711 645779.2443 560473.7528 542264.0268 599697.8377 569157.7636 628085.7163 550327.2385 504303.2391 543188.7921 644092.4789 540019.3734 463688.5301 770817.931 1645161.93 1680399.467 1532561.246 1104826.527 1632637.712 2042205.867 1778750.882 2039799.787 1882596.015 2198890.82 1804951.723 2015780.554 2086995.126 1862991.415 1820410.033 1575517.211 1710191.532 2263754.733 1862919.818 2035224.498 2015622.316 1926891.254 2001376.019 1765170.73 1752011.315 1974260.321 1951157.255 1991926.133 1165143.076 1013222.57 1199169.547 931524.7399 1000224.684 566108.5708 1208079.837 951551.1472 917467.9477 1083964.93 1163099.697 905422.477 981730.7586 787663.5485 970702.7107 911549.0555 840319.4359 850414.9861 805870.2844 939894.258 847453.2645 996311.1176 892207.4954 755503.4541 732579.3054 686113.6868 818323.5471 964706.3693 847935.629 1059719.974 747943.3659 914083.2156 860791.5575 1177486.905 865051.2905 Hyocholic 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 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 49341.06252 NA NA NA NA NA NA NA NA NA NA NA NA 37944.63584 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Sphinganine NA NA NA NA NA NA 9637.864081 11248.29134 11074.79272 10754.646 10943.59106 8478.343264 8595.600154 11963.08515 9617.195565 9615.469046 11573.39998 12415.87485 9873.730023 9825.250092 9098.069029 10615.44617 10628.68906 11649.27789 9789.684906 14999.01918 11624.88826 10472.17939 9555.66803 22280.12382 6922.169479 14502.27036 8882.843551 14430.4749 12173.3628 12270.88748 10607.50262 10846.43261 7938.173275 15217.97822 11229.52785 7555.908171 16800.69958 13665.97393 6327.148894 6994.424037 10240.0581 33341.07758 13411.40554 NA 8892.528169 6672.749525 7954.09422 NA NA 14474.79187 7584.56495 NA 8382.664545 7414.388434 12664.85247 10811.67837 6119.811466 10889.45168 9877.029038 NA 7382.588076 7514.760459 4118.564454 11520.49208 9032.735044 10437.4308 11347.7369 9288.688269 NA 17538.41486 15073.48234 8612.724923 7407.346561 16163.86431 20433.1851 14653.73622 11119.98659 14216.68039 18940.12554 9518.391733 15226.94758 18428.12865 10813.21708 15298.84603 20351.05842 17406.20817 17784.7871 8608.351155 7874.334385 9941.51247 7915.533561 15894.68455 17415.48464 10646.48399 12569.34189 10570.48794 13578.69377 13087.772 NA NA 13188.36129 NA NA NA NA 42950.11326 NA NA 11361.1148 NA 15706.99698 NA NA 8978.147337 13592.49806 8627.864993 10077.4746 NA 11941.77127 NA 11753.78653 NA NA 16553.04354 13571.03274 12499.67615 10173.08388 14417.20906 NA NA 14806.52153 13578.06145 6767.931005 10506.51559 13994.54498 10086.61783 13105.2407 11898.96271 13735.66675 9420.300179 34905.25903 10998.69148 18180.02817 22138.78566 7667.122352 6028.94872 7428.331702 9553.14626 12985.50039 12027.89301 10823.00285 11421.92849 19331.80165 10841.71091 15593.55847 10092.55497 13132.67098 NA 14264.59815 8836.642393 7413.760172 8013.193575 9648.136385 12679.43554 12840.45152 14840.92944 5304.734603 13060.62671 15261.0215 9063.47208 15160.71037 14919.75047 8869.041977 11952.05638 NA NA 8262.176016 4759.245792 6935.495785 18024.42385 9155.558481 Ursodeoxycholic acid NA NA NA NA NA NA 1525561.442 1555328.498 1550404.562 1577525.036 1693297.172 1619201.122 1599931.816 1532934.336 1597955.018 1581155.889 1628680.053 1785521.178 1677180.955 1717620.368 1656825.447 1602711.139 1671838.766 1714449.544 1647880.194 1690527.066 1473588.755 1684208.28 1425994.847 1620213.175 1653579.918 1648875.489 1647655.608 1492713.033 1573615.388 1463718.051 1489311.254 1466501.569 1450765.681 1547099.231 1555319.989 1502178.288 1395017.154 1502728.263 1395376.416 1450267.729 1350209.488 1519300.446 1620290.461 1478919.815 1574294.581 1383535.403 1552780 1325054.821 1466050.225 1536304.318 1424527.484 1489308.68 1277604.925 1494759.996 1322506.846 1305986.605 1318363.234 1320191.885 1420438.484 1262860.279 1324268.634 1308634.694 1076984.12 1484480.872 1382472.298 1043703.709 1090547.68 1316465.641 1486194.688 1384695.695 1326542.628 1371706.566 1488869.868 1443972.98 1300361.158 1331082.682 1402586.156 1273249.686 1507671.229 1252698.739 1393357.456 1379009.142 1393889.648 1361133.286 1311500.758 1177912.716 1387917.888 1095033.813 1264594.395 1163587.156 1376819.546 1567970.003 983224.264 1538895.717 1268081.498 1112392.253 1267504.514 1165251.101 1425500.036 1031843.298 1532819.935 1444804.865 997199.3401 1177779.503 1264653.599 1560458.323 1458455.95 1198384.576 1339472.418 1311535.263 1443717.101 1079015.799 1095322.577 1386437.884 1744640.698 1563127.304 1447293.807 1406968.7 1774264.85 1685287.347 1564704.497 1614358.945 1559518.637 1446656.417 1826324.359 2003305.102 1538865.314 1558856.056 1666667.42 1587211.038 1619214.68 1543058.887 1563475.06 1585869.08 1328809.941 1457757.14 1507189.414 1575913.391 1526659.781 1531989.028 1533876.199 1472933.857 1493143.412 1710890.132 1491738.498 1620880.827 1488888.532 1368782.543 1552084.681 1400498.641 1584930.515 1497935.926 1514012.481 1456390.471 1466390.782 1550129.721 1482964.324 1453990.475 1557465.816 1614026.427 1710933.887 1636675.688 1723400.958 1590918.6 1604882.395 1704797.005 1599381.603 1669742.558 1401930.821 1543409.847 1445158.365 1587782.009 1470866.629 1599184.894 1475862.825 1678096.527 1709432.003 1614183.336 1649034.836 1756326.668 1564608.069 S-Budesonide NA NA NA NA NA NA 2601.801435 4229.589489 5589.893213 4820.595879 8580.180754 5720.707422 6091.235173 6564.435621 6397.282446 7431.287629 6410.724577 5602.465349 7223.715848 5408.331908 9623.19773 5299.430484 6529.911611 7024.444296 5278.760924 3775.734761 7742.826419 2955.070264 4653.59553 2868.78481 3374.122606 4986.928588 4191.908096 4903.851987 2114.175078 9539.809832 3467.114751 8259.751209 5019.764142 4148.356679 2451.183656 4559.774777 9513.449368 7665.21431 1948.658719 5246.984981 8512.15267 3282.061448 6512.613235 9035.526989 2284.963374 6336.264978 1553.204797 2729.496926 4707.444843 2045.363311 20183.76166 3145.806086 4690.989118 4314.503408 3661.557766 6520.314082 6026.081172 3697.514909 3097.427366 4568.040013 2001.907675 13311.10778 3941.710503 9243.917149 4104.866668 7591.290374 7874.051163 8108.350618 2789.837297 3334.842377 2749.938367 14011.05292 4262.528214 4140.836548 4082.525925 8320.755631 1871.323757 20874.66233 6941.895853 8581.097911 4665.035614 4855.516951 5505.623384 7541.029135 4871.282798 7129.796219 2624.070519 6337.426621 2122.167076 5189.297238 6063.133884 3034.9165 5563.97379 4044.158359 6549.717231 3399.200908 6007.310804 5181.520035 3313.807862 3310.806637 1037.242108 3845.254871 16192.85016 10887.78098 6342.930741 14223.70466 6125.915559 7478.410736 3792.430226 4712.554251 3844.675754 6367.020227 11790.22904 3472.995588 2559.627213 3906.808675 19150.31804 2531.191508 3685.929395 5545.772605 7104.910663 5354.867993 10127.67022 3540.290382 9238.665311 7640.806602 7897.501474 2390.254269 4387.059747 4356.857717 2328.222367 11254.15515 5122.275145 3232.058772 13179.31549 8322.184626 6260.491593 5895.875342 7389.553953 6232.250328 2427.827691 7853.978372 8235.735639 10216.37606 7460.362073 7860.003955 6165.356634 4749.084851 8234.115059 7095.364609 5962.870733 6763.996554 4100.948535 8523.457532 5721.540473 4658.088353 4573.011959 8773.604731 5186.005049 10784.44595 7193.576012 9275.583033 8218.235298 6392.712154 10225.03647 4999.050706 7396.922426 4507.634192 9309.072455 4029.185698 7242.727593 6019.429244 5286.163752 3560.348932 9269.43953 8197.721828 5894.313543 5218.154004 11906.52901 1553.372109 9932.515325 12,13-DiHOME NA NA NA NA NA NA 31324.50363 27090.4745 26144.65509 31683.86331 39564.69176 40227.84782 47130.64614 26662.03177 34299.7908 33973.43922 37659.86704 34162.3417 35411.4086 33275.11165 47787.42064 37348.66223 38415.39256 40370.74288 41622.90912 19072.25809 28549.41683 39184.95539 76594.1371 16017.39392 76906.32163 28260.02073 40072.01722 57260.14317 16993.49187 51638.12566 46682.48476 104534.414 73539.22602 17937.50478 30296.98303 61243.08426 113891.2173 37358.11943 18404.49916 26315.78026 84125.26759 19516.21004 50778.79525 53289.05323 24359.89156 56377.01218 23437.75707 53824.74891 61555.84467 18658.80716 113838.6072 95887.57913 34803.19186 38899.94266 34363.5274 32345.53399 27075.56262 27535.97827 36196.90079 12031.80984 35597.27743 41695.14442 21037.1765 27494.81615 41116.05664 50895.45528 23620.61552 91454.66024 59395.99332 33384.89884 23940.11736 48135.70138 59289.73301 22918.07899 46271.15529 44967.61346 30611.94225 46456.32651 15097.3314 46269.9749 73752.73732 30103.45997 54544.74429 58631.4923 17338.36653 41272.58725 26643.80154 38641.71853 23727.97282 44605.75664 46817.2149 22882.62443 64275.87585 58447.78346 47893.01994 18420.21922 42502.80989 98795.01258 33089.36326 45651.86214 25968.79416 45148.63075 54060.17958 70806.17525 49644.16285 39105.89329 53911.03867 80080.39676 23426.98977 71210.85677 21799.8739 68134.32617 119957.1859 104634.2075 27669.98889 36836.30715 42076.52255 29144.03483 24175.47662 53032.18483 70398.16826 59417.82072 60527.64244 28679.53854 49248.92469 43422.61389 40597.9547 30721.08724 42753.28286 43098.79862 33249.08729 109237.6574 76973.4629 101851.5296 99354.46826 22152.07317 66127.2209 56089.99466 24491.89319 54150.47409 29251.97423 43593.83141 54672.50801 29555.11116 47043.6448 64704.72683 20845.39622 60438.88383 27435.06141 38755.28597 39695.5608 69033.77089 26907.1187 97412.77456 43162.62741 41756.8167 20926.94365 54401.4031 31509.49434 56945.46924 38800.21148 42456.1656 30610.47862 51439.15527 46885.23879 28548.48775 46127.99017 24750.71859 53714.64914 47044.00045 59641.92637 35045.92417 58584.74041 29189.74433 37566.68291 47168.99871 36183.90888 55954.13153 63201.51576 36548.93338 79554.33392 Progesterone NA NA NA NA NA NA 25082.70382 23363.36112 22937.63037 24497.42383 26046.55177 25334.52035 22161.54909 20765.88159 24226.76582 23730.29403 23564.78279 29571.39892 26284.80045 25221.19902 25578.7614 19702.01136 19763.49875 21511.60167 28347.18205 NA NA NA NA NA NA 48656.61783 NA 41172.6705 213326.1826 95062.30307 76198.5476 NA NA NA NA NA NA NA NA NA 51628.6136 192877.9906 77763.17864 NA NA NA NA NA NA NA NA NA 29312.65968 NA 53688.51423 NA NA NA NA NA NA NA NA NA 63575.82037 119680.4492 214728.5515 NA NA NA NA NA NA NA NA NA NA NA NA 21095.94844 14713.39883 25620.97463 NA NA NA NA NA NA NA NA 13035.08613 NA NA NA 42665.43716 59735.32331 19370.38179 10534.84963 8067.448557 NA NA NA NA NA NA NA 47933.01743 75859.4745 119955.7614 NA NA NA NA NA NA NA NA NA NA NA NA 64321.40788 107541.9284 524952.761 46135.97509 66322.45929 51289.41553 NA NA NA 15222.66713 NA NA 31827.26018 44741.59196 NA NA NA NA NA NA NA NA NA NA NA NA NA 536077.6583 247520.443 145900.8968 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Glycochenodeoxycholate NA NA NA NA NA NA 411312.0633 380909.158 384472.2814 407535.6657 453112.144 437701.3707 424806.1753 456251.413 441679.7936 500356.8044 479644.2847 504746.4534 483429.7844 447815.8908 426003.5831 473909.576 495652.7095 517523.5965 503682.983 69455.47866 NA NA 419329.9959 796389.538 323664.7594 NA NA NA 142664.792 NA NA NA NA 159620.8157 228002.1861 58283.58356 186819.233 548114.7615 799757.7853 294352.0729 267337.7316 155910.3624 NA 342668.8407 1272303.826 657680.8604 435018.3207 116072.7741 130306.6163 NA NA NA 926811.0816 567395.1328 2170503.377 1202361.289 583400.0904 1735570.857 336168.0508 89282.43112 174719.1967 NA NA NA 159442.914 335346.5912 402314.4229 677646.6976 283064.4209 1204063.905 699088.4571 417961.2399 267607.3041 320805.4228 NA 165596.874 NA NA 95886.86179 NA NA NA NA NA NA NA NA NA 273284.3237 NA NA NA NA NA 593910.4251 776801.9817 259685.3715 725184.0106 1508063.477 308865.3401 557354.4719 150792.7214 193689.7791 135084.9969 94364.64408 226634.6988 600544.6233 995852.1896 1546554.676 238387.7193 1428516.341 320174.1662 NA NA 78518.36657 247614.212 447743.4739 644193.5351 537823.9489 165422.634 428603.2194 NA NA 445857.4105 NA NA NA NA NA NA NA NA NA 226924.0465 253464.6276 NA 365666.1007 102611.4044 335880.1036 NA 687877.3538 NA 291674.1078 678675.397 176620.2537 285074.2986 579811.8753 362139.496 181915.9041 NA NA NA 231693.291 130236.2543 555323.1768 261453.2066 829423.4071 NA NA NA 290460.4628 746903.5998 1021244.389 NA NA 568881.0015 362790.7915 1004041.55 582220.7377 650541.8397 1077643.912 2085060.306 399447.8067 713599.5421 203079.0699 NA NA NA 315396.6232 897056.0428 573250.3178 Cholate 9536.73037 7610.389033 7964.054262 20110.8583 16435.74692 8627.797224 17624.38079 10962.94628 10370.19667 20181.39536 25176.23481 16860.26651 14490.84269 11137.99402 12758.53008 13252.06083 20284.09439 16595.5635 13899.38515 12151.55596 23529.43826 15082.69447 22846.26393 15143.52584 29550.27107 10993.59672 21864.97493 11963.31356 23795.90919 27001.21049 17597.66934 9611.801681 14639.55829 12750.82154 14762.58588 16482.78982 18604.50498 12985.96331 19461.39049 10578.45367 13002.4277 15893.89063 18972.77793 14243.50236 9891.454255 12762.21159 38352.35071 12654.22255 15369.32641 17016.9213 22366.96641 27375.58121 31770.2516 15729.28876 24370.9797 15832.59451 21178.08826 17499.84371 19216.01956 18324.02758 19589.93286 13295.68192 15042.93181 11559.43261 10917.42205 9259.700729 21727.35779 20827.28876 9286.521603 17968.95546 11305.8068 19661.60131 9195.040958 21991.08304 17214.28509 21459.69082 22505.28862 22623.06908 17760.87151 24819.6182 9364.173434 25551.4733 12943.75523 16851.50575 10155.88762 15541.36702 25116.81689 13276.06212 15384.80407 11634.77653 4133.552395 18683.73113 14675.00552 12779.17491 8988.348434 10258.60464 38069.36633 20662.62495 13403.45139 20620.02434 31743.08442 30082.96204 19142.51681 24435.31243 14714.57375 16564.78093 16039.3737 11225.93662 17614.80552 18831.83491 15509.59956 28598.57728 26509.16575 21328.15374 26451.27631 14261.02554 13089.73589 12988.96261 28920.94615 10439.47498 11963.77095 11343.42186 23785.05136 29936.35426 24717.88461 13769.13474 25504.67508 13535.73897 27981.66133 43075.16259 18214.33058 20828.41381 17511.70256 4011.834602 13303.63335 11932.35953 12635.32444 15874.89434 16267.84456 20476.9546 25600.32374 21087.37373 20925.01582 18427.33556 15236.49509 21461.7484 15591.9682 10977.0365 32762.15117 45774.6756 22736.83673 17868.87243 22235.18606 15578.98439 13188.18389 23345.87611 16452.85631 11538.78379 11859.65141 21160.26667 11153.27793 20659.75724 11804.62259 12882.22508 10039.67375 20093.65365 19274.51926 18479.33294 22070.80344 9220.672493 27528.58597 15096.71855 19012.71595 17840.5925 19958.81256 33198.57044 38953.06681 50159.35256 25810.34749 10524.39298 18149.21538 21778.6337 12056.12466 15350.17119 25927.08716 37333.67347 39289.51365 Hyodeoxycholic acid NA NA NA NA NA NA NA NA 23351.93515 NA 34445.50126 NA 28734.8803 35219.06292 54144.0626 56765.43137 NA 58399.97664 NA NA NA 46141.38277 NA NA NA 20608.66842 26392.5677 24503.04157 NA 19609.06293 NA 12267.30619 25512.68864 32958.54643 13121.71561 21768.61818 20635.22918 18878.995 21196.16213 30092.43933 8460.702811 20425.89345 19220.61258 NA NA 25116.89068 29325.92435 15052.75021 NA NA NA NA NA 21859.43779 20316.65931 26440.0753 35179.25245 35566.44216 18213.41183 NA NA 12332.89415 NA NA NA 19990.91042 18373.43458 27090.62347 19391.66227 17241.47909 NA 21114.23206 NA NA NA 21087.80613 NA 23394.08046 NA NA 69862.3282 34243.01957 16819.03501 55660.65959 28244.17475 32690.58758 20819.9688 15915.40168 17903.72614 29037.2251 NA 36108.18165 34374.82348 16956.77686 NA 17927.925 46210.79211 7796.323623 32565.40239 25612.44715 NA 15776.84299 NA NA NA NA NA 30352.81261 27277.40046 29904.10596 38635.94835 41338.47465 NA NA NA NA NA 45964.33624 49428.78031 35785.52669 40699.16487 25547.33671 42964.40559 42786.57223 25283.31541 39184.07476 NA 34879.41818 37291.8321 24590.17706 27289.33929 41794.37996 48555.012 29894.78819 39890.52602 21457.59988 26364.20679 34790.16911 NA 40522.88292 NA 18951.09507 28076.47882 30608.66983 65141.2575 27197.37719 26644.82968 23824.7458 40080.77615 29951.90437 42073.81113 33612.13707 54005.58362 21394.85013 24192.92128 17953.75497 NA 28706.84462 35764.16652 28061.30418 NA 42462.19437 NA 16047.56468 23804.75791 53224.0733 28260.81507 NA NA 32877.33007 38647.83122 NA 27559.06709 NA 40025.64267 25383.48836 NA NA 35221.59337 NA 34325.18325 40301.79952 30062.98761 34425.56547 42828.44857 NA 37678.75332 Deoxycorticosterone acetate 26183.25811 16384.12583 18653.69474 40645.96559 36981.17764 30780.87153 43820.15919 47752.99933 33863.40501 29033.90805 47338.61808 50068.69364 32946.19447 25324.12167 45885.67792 40817.40642 33315.82824 52120.50083 48898.50596 50420.35867 50831.03595 37976.42124 36821.69938 49705.438 41263.16781 78769.40662 42135.75198 21146.87071 49793.9398 23341.13748 45827.08121 32387.83897 37512.61965 56346.218 19020.02865 50189.40281 25601.72261 105817.247 47273.94905 16353.19153 29074.61961 31878.20979 61433.15061 39093.27028 15629.33623 30996.34373 57302.7764 32836.39276 63449.18312 133538.3646 25018.53248 58488.90486 28744.45304 48998.76679 43214.2398 32347.47496 379379.0401 56176.66081 49533.27511 32693.424 27063.60374 29284.3227 20790.75361 33495.18973 29180.05165 28688.00189 33892.78484 45685.68018 28993.409 25515.39884 23915.40365 69551.85294 160502.6094 51453.33083 37007.00387 24696.06685 21503.18707 42589.89489 24974.3288 26029.62897 24150.59334 22272.58789 30653.98015 34260.8754 43906.9752 31432.5836 34847.02507 25727.12851 24160.1744 29072.6563 24646.26821 38281.75059 27930.54622 32768.48829 22920.14791 37640.79763 28155.60977 22763.48441 46255.55763 33830.20346 40523.28194 24264.33809 29081.93771 47351.32356 30266.33507 26377.75586 25620.76557 30351.5723 153834.4391 71319.64955 40245.48348 37680.84349 44570.8877 57790.17029 27670.80241 25680.80384 26618.28745 39306.24826 89155.52201 51706.90814 27263.70506 30285.99911 84742.77231 26269.37662 20463.98293 34132.34307 56217.62757 45082.0037 50654.44513 30306.39544 29024.61431 29729.35173 49370.54103 34073.44058 36283.12455 24182.95481 33376.52071 56906.9791 37698.83682 28371.95262 47501.20245 53788.13172 55083.24892 42274.9627 49834.55809 33577.27876 24675.4411 38334.14213 44886.94705 48484.69327 18755.62388 33568.05982 28002.11904 41084.24753 68285.63086 37788.8574 30206.827 23204.6525 29074.6945 32267.89583 39244.15115 24623.33128 27392.11921 38032.75663 21847.79989 30169.43873 33996.30312 53060.29989 42354.97453 18819.97621 40705.35009 38592.00581 56169.56382 42411.80537 54283.47077 32819.98196 45699.35014 33079.52735 44673.52779 26223.56379 41490.41491 41694.61687 24098.56757 32252.92086 33202.32334 33692.32503 80226.94169 O-Palmitoyl-L-carnitine 17715.90749 7298.058571 NA 32199.57201 8234.569495 NA 2862766.584 3051430.045 2842928.761 3154524.882 3234507.747 3002212.579 3058991.541 2978495.399 2920849.672 3100770.017 3192178.111 3586150.38 3288764.574 3217164.341 3200613.845 2874352.972 3178320.205 3327465.648 3230244.439 1064020.744 5899244.813 5253531.886 4101814.5 788437.411 3735144.064 1580664.888 3198500.911 6680157.875 525363.3046 3982598.136 3366945.795 10638739.26 8400199.78 1230223.96 663551.5156 2928257.128 3774462.134 11419189.46 719291.4677 7776937.095 4720711.772 1322893.144 5692134.059 3398647.888 743475.4654 5677659.522 734914.2751 4459921.817 3490416.512 1218707.853 5559774.852 4358318.358 6276035.952 4814179.434 870087.0406 3805909.418 2858431.147 916704.1384 434743.0835 2773161.123 4142909.62 5692848.983 974210.0477 5110687.327 1605634.443 2188445.677 499905.5284 2112793.599 1448219.614 370965.0775 773186.8964 3251825.345 2879057.469 849505.994 3263356.02 4721462.714 3795719.773 6679545.907 996888.9058 10156203.58 6957942.411 1246504.217 4586030.014 6423484.597 859893.2504 8883567.14 1139028.203 7712082.712 678846.982 4761218.345 3357527.645 647349.6499 5614706.806 3547075.711 7841305.568 729809.4929 5406750.266 5584021.127 687049.1091 2985413.792 625917.5462 2682467.728 3748703.72 5229421.788 4427283.322 786353.6823 3422332.619 4434871.259 529657.351 5950022.797 1026589.791 6930973.802 11199529.93 9388466.391 1128777.55 2557430.131 3166261.138 395278.1285 931649.5147 3099936.258 2647717.917 6466851.293 7155159.141 514728.9558 2971755.543 594342.3015 3635228.11 1272113.125 5065102.413 3665887.465 728252.7162 5151958.166 3064977.502 8831206.524 12117194.02 549087.8961 2269925.564 5908455.215 1006793.94 7777134.838 1613164.593 10024405.2 4925668.36 725066.5739 3105668.898 5309225.168 642604.3387 6199208.672 619978.3879 3560418.501 2623068.297 4790727.071 841995.9571 5944992.531 3994203.63 2061651.18 660012.6979 5300725.846 702760.3802 3189007.344 5551849.176 4240992.872 838318.9536 3457805.423 4534186.992 863891.5125 2561388.222 881170.7013 3600856.005 5788765.179 7248572.465 895338.2601 5574204.714 708983.2859 3926398.309 4640354.636 945234.2142 2593356.41 1357286.018 522655.3348 1780324.931 Laurate NA NA NA NA NA NA 9552.482193 6568.66482 6841.042842 7245.832102 10192.09664 7779.331842 8648.007823 6910.280247 8628.671839 5607.429964 6316.068556 5602.791335 10409.37317 8494.754492 5681.347635 9739.974509 7668.022404 12260.19964 12865.88925 7970.927165 9865.701937 8527.795131 16882.54389 5470.429304 14555.07171 5241.391962 16156.85824 19124.36204 7867.941504 13051.8325 8930.779594 31693.07642 14475.55448 10997.24362 5450.691996 9628.731524 15942.62582 8456.615256 7727.646995 8385.37883 17758.54584 9261.055325 10169.74689 13144.35886 7602.586993 14545.68535 8299.716057 9085.988713 17819.1224 7348.418996 27585.19496 23563.34879 9608.394038 8178.089198 4781.764549 8061.895638 8318.133827 9091.328344 9527.432875 7591.630875 8635.909738 14335.25929 6042.59069 10471.00745 7439.041073 12910.84464 6585.769156 27202.38521 16635.43767 4864.76102 3730.782821 9767.050571 10534.1665 6357.095283 10440.27299 12765.61601 9656.669822 13054.92959 13498.87511 13655.91331 9565.862833 9274.282975 20395.01294 15255.17299 11605.27142 11935.32254 8068.999475 11938.84199 6265.256898 11244.91165 12789.38484 9908.730383 17761.16365 16583.29006 10116.55345 13391.84533 8580.728394 20379.36091 6620.736046 12452.36084 6115.177158 11208.28742 12771.80395 15858.80846 10476.8039 5525.472417 9266.365843 14340.88734 5160.337611 13858.69089 6879.122109 12485.26541 29500.31218 15418.57071 4265.553631 10222.78726 5161.553102 6305.679156 8973.706478 15280.26297 7160.28565 8798.677238 7607.278935 4961.312667 5980.629201 4742.981543 9043.444213 5121.532966 14263.21759 7303.73697 6317.165558 15144.4342 8834.999062 19238.47666 18411.10673 9311.273169 10814.03706 8932.697764 6444.784594 10663.45642 11434.67039 12039.14621 11912.45422 8462.986928 12776.88661 14970.89129 8023.10482 7889.452146 7181.547888 8883.732832 11434.26914 10020.98806 4870.057822 13800.71437 9017.239601 12195.57709 11166.46057 7707.066715 9325.000287 10088.46351 7806.830195 6860.349422 8756.783692 7041.387465 6411.804812 10030.6174 10179.69292 3470.556847 9548.107517 5931.75017 13293.92322 5583.567117 10207.62134 5427.393945 13278.52324 7832.444333 9107.880743 7056.059612 9286.792461 7696.370195 11889.39609 9S-HODE NA NA NA NA NA NA 158084.2479 148832.1867 133401.0201 152888.1586 140080.1032 160110.7512 144213.4502 140042.204 140506.8405 141264.0877 144571.6791 168858.658 135255.8862 153364.2182 162582.9222 125596.1917 133473.0039 139415.3854 134760.8671 17059.05619 122404.495 142033.0267 291589.3329 16522.65704 480403.6362 18957.64631 340463.8647 239299.644 17673.61746 156501.3046 267125.9069 701087.507 875045.5314 13094.15841 20648.72671 293312.2345 341196.7932 59592.03307 16847.0345 80899.36634 324228.6277 16483.54829 176378.3635 484199.3566 26101.01931 246230.7923 13177.03194 152835.3174 150620.1307 25762.67769 644870.7869 1005446.833 146138.072 201959.3993 19923.14395 84785.84109 122246.7597 14260.50628 18067.85259 113633.9662 91394.72397 129415.8122 33295.57295 133503.6882 158193.3367 126319.5343 27430.34396 467640.0383 939737.6579 35342.60276 19952.59922 103409.1006 188148.3602 42751.34004 141102.0785 146455.713 154600.326 149459.9436 22647.10336 83608.47283 160374.8283 15574.73608 208357.2987 133886.9411 NA 68602.31517 11424.29816 106030.8523 20585.59812 126723.8286 126949.236 27496.4244 152337.7116 245736.8585 78900.73094 18072.56269 84611.3563 443962.1068 23130.55564 297964.5326 30970.71146 222390.6444 158125.3479 195408.0867 200511.9548 33819.81283 425792.9722 201130.3718 19891.28019 338864.6906 17678.86157 174270.2177 612472.986 528100.5145 32884.38352 91748.04247 86484.36137 41950.69379 12744.86912 212212.6357 110456.037 172351.8767 82506.9422 NA 67043.23554 25671.6422 49425.81493 NA 69687.1167 91413.06856 17579.43972 260347.0912 318239.3405 442697.1188 317114.438 NA 110544.7993 207679.4952 23443.41386 135098.8195 44049.51677 91916.79841 108030.1547 16961.71308 194864.2853 162576.4887 19575.99984 119038.4437 17440.83625 52089.21521 85900.80354 186416.3335 NA 212779.193 105220.467 147456.6593 16339.30744 101653.0992 13695.39198 114403.4304 76157.89592 48363.33375 NA 127031.7708 67760.34351 12502.18407 157355.6715 52056.96537 123114.1215 133284.43 180906.6573 14385.00912 76051.7322 NA 109299.4712 163317.1971 13549.64621 103666.2278 437853.2618 10782.87369 188307.7889 mono-isodecyl phthalate NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 3724798.323 NA NA NA NA NA 49784.48033 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA Taurodeoxycholic acid 46706.42887 45290.09566 33126.52347 78203.02951 55727.49891 NA 51867.32394 41329.06176 29953.88625 57211.83892 62175.20509 NA 59978.18246 42250.30443 61257.38598 33236.17462 43264.44987 57003.56942 58503.59835 40317.9902 58646.71757 NA 53534.41912 60192.01986 53648.18577 37513.26317 45898.70623 59600.15425 39801.01501 54362.14435 NA 37237.71092 55042.15281 39190.36206 36674.29585 NA 41387.59488 70836.74587 50512.4084 59103.4208 56510.60209 38817.93256 54177.42226 54843.67479 42656.56857 41903.1906 NA 34966.5335 56798.43636 45992.99015 57197.9514 NA 65415.76018 39115.63068 44765.5586 69965.17453 44030.2852 33374.3715 31785.06484 37592.52138 56308.52204 51540.93821 42976.21878 51940.1487 46043.26751 26678.85093 43311.75636 26272.44206 41932.28043 35091.71805 30702.26691 30172.79057 32512.54656 39522.84865 61345.69667 80119.21766 52344.5682 NA NA 47209.04429 NA 35143.74909 38604.70018 34417.31223 40521.18205 63952.15602 51022.25739 76928.94322 54535.37598 NA 49042.09916 56986.63639 73393.15512 43092.13543 47467.80491 41522.14702 31881.99703 64201.48127 NA NA 67394.06734 58390.11143 NA 56232.29334 32473.95758 31208.1218 41039.35863 57376.8401 40276.77834 NA 37595.72446 38131.04398 NA NA 38861.66977 NA 45578.94004 NA 61792.52677 36589.80508 65198.36579 NA 58693.99129 47616.23372 42762.48735 49911.64011 31765.06456 27369.58634 36134.41318 64980.83197 67505.1382 79104.92669 49202.40072 45149.00945 36549.87764 47494.9026 54818.09049 46936.5909 35171.96682 56804.54898 54031.02018 38735.77566 77135.0354 56112.94502 124446.4907 36802.15589 59326.67141 49259.9055 NA 51001.19837 53291.87836 34623.37782 30757.59223 38036.67153 36715.24517 NA 28880.2229 NA 66203.35546 41997.09718 44962.326 30650.80953 NA 39045.80221 48805.41736 55420.19459 NA 48065.67786 47362.32639 NA 58505.52448 45198.08363 23141.93537 46000.97738 NA 59186.80478 66499.72649 62774.42144 NA 52739.74521 30921.18248 40359.5292 44125.24987 56146.57382 52377.31912 55114.72772 32131.2684 Chenodeoxycholate NA NA NA NA NA NA 56614.51157 62877.08749 70565.49427 67900.00553 64915.40137 67169.62913 60330.83489 68428.07726 59428.33636 66397.54262 70102.2602 80890.41484 73787.97165 80586.31356 86040.32962 61622.89416 84802.09165 79817.16125 68686.65857 56111.97575 NA 36190.00168 87013.45696 169134.8387 68419.49792 50550.66926 24658.66966 NA 96195.30806 56665.42548 37717.2725 47207.84881 39082.27473 94375.98361 71244.97389 26178.58193 62410.54704 40796.40567 56729.43815 27177.87983 176583.6935 79975.1807 23733.91462 51148.15594 131025.8028 66169.90895 258077.0962 87090.16728 77758.19674 NA NA NA 59311.19854 43544.72301 131782.5443 62182.66805 44495.73252 78318.46742 45456.63968 NA NA NA NA NA NA NA 24614.15457 100355.8001 46663.85142 116806.1183 260362.0343 130944.1323 102239.0233 101596.6249 NA 45017.80637 55398.09364 73817.01993 173461.9623 NA NA 45506.94392 NA NA 32940.82488 29380.73961 50672.4414 20049.10531 60040.91846 18059.88925 88638.63396 97835.31831 36710.09349 54495.22623 47906.08604 79604.44123 40410.45595 87453.71303 198385.5579 58118.18272 68213.46664 31689.93909 22089.53751 117718.6236 104644.1141 305752.4294 83824.98675 127487.4164 212327.8011 NA 87505.80847 NA 68698.6646 59051.58767 177356.646 145386.7501 183822.4551 396808.401 461739.4817 136671.3239 258815.5383 NA 71430.57684 291221.9127 44050.70454 92068.2789 45817.594 39419.40221 NA NA 153612.1813 91878.38677 91325.34483 40456.13648 25980.24181 47594.17998 158556.4923 61518.8298 180051.3444 60479.94682 183957.9496 50400.50654 115954.4393 332916.3664 81315.4097 59957.24876 120617.0093 65924.49606 NA NA NA 45171.80158 98348.14321 41274.71514 25303.81623 NA 40321.47019 NA 87760.8741 93463.17619 41886.58903 89313.34368 170273.5093 NA NA 66508.31221 29511.68921 67303.244 43861.17141 102142.8853 109091.9717 308457.3961 31872.69702 77103.07624 48545.92253 NA 24858.2365 NA 167209.4686 488961.5803 217488.8528 Deoxycholate NA NA NA NA NA NA 70066.01598 58265.53377 72286.09018 65054.40189 69238.00364 59267.21696 70351.27911 76443.9153 74358.59339 67288.56605 71439.89523 71875.27663 72140.96222 75670.38869 74582.66828 67842.59293 61822.64952 82205.75796 64430.76917 46210.34769 35508.68271 48641.75021 112232.8246 170269.0584 78971.2174 51734.33071 42068.51896 44048.46593 102178.08 66821.96743 67892.69559 52396.21506 58423.0105 78511.98266 83307.0269 40745.60671 65851.4177 41490.05315 62159.26973 37814.87097 184292.7322 85933.20273 35536.06699 72602.94033 128230.5121 66627.70811 252742.0419 109162.7241 98247.30582 25783.88593 31538.63335 24865.10126 76589.88285 61926.79443 151053.3406 87501.94792 52723.01414 86933.52872 41977.66936 38783.30622 57001.48453 54235.11717 30548.12717 40187.03068 39131.01342 39674.78767 42475.98095 91523.90626 59448.84843 125352.9614 253494.2048 149736.882 111097.9289 107639.2035 32618.3044 74767.40709 59605.55213 90523.89453 172768.3206 47487.92171 45709.45709 51472.01141 33409.60549 39265.57899 36069.01881 58110.88427 53101.59432 50965.91055 68897.54473 45828.60678 111626.431 113968.37 52206.97669 58389.89074 54600.36777 76070.29192 52152.57169 90266.06756 189035.9303 68988.82925 74658.685 44326.20415 48077.09707 111201.0595 117185.8216 292715.6332 104532.4992 126845.3989 219924.1316 49246.20014 92778.37096 39879.17601 93491.99865 75448.33114 194054.9863 135791.3321 202689.5297 371336.7767 461253.2635 144451.9901 251585.5518 65398.42049 81578.79497 277991.8055 56086.02842 99626.98434 49066.65915 43825.45421 36975.98844 47526.35518 143763.3833 105133.3344 88700.4147 63646.41299 47721.62387 53266.33492 149095.5341 77537.4769 179392.1091 73891.53248 199603.9462 70475.79397 124913.6709 319326.3806 102515.8902 83481.16428 127290.3249 70129.46305 10708.64474 21425.04214 46216.97449 57662.13539 84842.62801 52182.02734 47888.16742 25538.17755 48859.72461 56649.85926 89632.16906 97046.30698 73219.20255 100708.8706 169173.0711 38855.11242 27066.50108 72686.48847 40060.83361 81319.00866 53968.39815 110305.8736 126095.2259 324254.6152 37745.15466 84287.85982 45769.89556 25637.59706 33003.76084 47009.84468 144831.264 454231.9769 219853.4305 Retinoate NA NA NA NA NA NA 27873.68677 29068.34549 28808.20259 24835.63135 28793.46185 26043.6138 27350.87001 24938.02953 32788.26151 29297.59347 34185.23216 32619.7323 30065.27649 29037.13023 31650.24237 24471.81366 27154.03079 25401.22566 26009.45337 5803.705332 12065.12996 14958.03624 27119.50914 5762.739166 14849.89006 7292.802792 7353.422521 11674.37738 4113.87421 17258.74562 7849.898559 31658.82474 14992.82001 4118.208815 7029.990624 20952.45095 71338.47491 25044.35923 NA 14230.04237 34594.8614 7161.776499 15372.1582 17008.91893 4056.141427 28460.51899 NA 27558.61635 38598.97275 NA 56546.04417 28288.03612 19466.92915 23363.267 5489.091509 11896.11037 13718.61258 5254.099402 3989.038583 13248.49157 12576.52752 27458.983 8978.206183 29901.39418 12402.32483 21820.408 NA 26749.5243 13764.83509 5189.68304 7873.197674 39130.59205 23996.4679 7150.160515 18558.01254 36488.77727 13906.91965 18737.57959 NA 31314.18102 30985.16895 3802.535474 19243.76116 27550.21062 12774.80807 26490.56474 7381.364057 20186.93568 4967.189403 38576.88649 16986.33599 NA 12377.85763 12533.13775 24415.48211 4774.765145 13686.45579 43525.89311 NA 14166.651 7122.125436 15298.92891 20372.15759 32572.07728 17437.2905 5220.913097 19255.90903 45275.81161 NA 18565.63797 6389.230125 15493.70188 103866.4651 43270.59088 NA 28829.59016 37137.66543 6812.916962 NA 18997.91051 36006.93427 28509.71388 48960.17657 6316.362345 20492.43567 NA 16456.5913 4979.82377 16248.25441 19531.71688 NA 42609.36929 22187.96037 22591.53157 44670.43178 6480.280523 127913.4732 38187.93354 4206.68418 41069.71648 4969.242415 65240.57481 28615.59633 4653.094602 22673.22647 62432.49932 9714.458527 116336.8159 6762.377299 54027.54317 32579.60598 37206.36179 6207.160419 64397.70935 9376.686335 10494.69815 6669.173743 21531.47648 4515.825137 92642.79041 13522.27122 11669.08229 3171.05589 10587.09694 14437.99896 NA 11202.142 5247.64029 36111.55228 13770.34594 17118.50828 5957.104489 28077.08169 NA 14438.56112 33005.39451 NA 71898.04905 21371.17525 NA 27344.87099 O-Octadecanoyl-L-Carnitine NA NA NA NA NA NA 415564.047 440973.8018 419990.9157 438127.7918 470507.244 453270.0285 450379.5543 438391.1899 457203.4218 474061.1064 492491.6329 505674.0449 502524.5995 489149.1587 492447.5203 493102.0606 503133.029 517741.6915 491104.5086 123249.1027 1328454.535 1240726.923 925277.6308 101769.7512 917665.9692 118827.5058 501263.8736 931649.2518 61337.07777 650824.9863 550497.256 1066001.63 878054.9399 95386.16738 56346.79771 395569.3863 453747.8787 1327728.98 63561.26003 995603.3394 858762.8221 125418.3036 1143843.192 717447.8648 63956.76104 1029541.49 75884.92024 865649.9101 689831.3247 116086.8408 906216.6625 711380.4899 788594.8932 630887.467 70040.9878 360598.8705 329221.5343 59766.60224 53420.07859 493131.8101 603777.9928 783782.3261 93484.27146 698795.0004 221086.1315 288675.1265 53079.51663 290785.7649 218134.8812 52012.51775 98873.75628 627524.3878 592834.3538 93469.51592 708014.3404 885304.0024 354342.3873 632200.027 75761.02891 1366504.694 1015887.113 96858.09555 632491.3625 795745.0329 78065.93131 1241047.544 89003.67987 1094728.378 65078.00801 806907.8426 617588.7729 88196.10069 1416285.861 1022701.241 1094956.218 73893.73455 797348.0197 812019.7737 58772.55385 501378.8736 73836.14329 607722.1648 883644.3005 864701.7043 749973.7713 72628.55483 648756.2993 781275.9567 48838.79134 1623695.793 117933.4894 1802545.686 1178044.37 950314.5401 81110.71958 315542.7744 541293.9016 44693.85885 71688.48114 524229.7402 293323.8645 1004825.201 1005113.166 60278.10247 505062.6347 62192.21786 556540.8083 118127.0956 840419.5766 721058.3694 57103.92878 667987.1355 493344.6208 1265181.344 1838279.335 88276.21428 125416.9853 752476.9869 72709.78445 1325017.457 123146.09 1748010.629 895971.0953 80394.47444 587745.8442 666281.3734 56724.02406 718357.9649 52331.35886 387943.8534 305028.2184 849605.3636 87485.38661 946556.0972 492481.9597 310851.4755 62490.39812 672742.321 57507.53303 317953.4876 1395038.213 738332.8265 87144.96932 775679.7571 915639.1844 104435.5018 374833.4438 62227.33413 456307.8083 704280.2977 803126.9862 77446.06837 1215565.506 81798.32184 1008010.612 728055.494 89407.85572 298969.2282 234142.71 52209.21462 255249.3008 12,13-EpOME / 9,10-EpHOME 21462.13531 10241.42391 11667.51899 30997.5491 19459.86422 31017.7636 55169.34202 67251.24923 58520.09447 72053.36512 63630.34241 67672.70927 70687.25573 58336.47715 61101.91688 65872.57007 72871.63076 77915.52849 72999.41586 79994.56228 73623.75477 61796.55721 70248.89518 64854.22281 67147.11535 42212.4324 47399.27211 57743.4066 50889.16641 34201.04564 76890.82307 40729.64514 82331.02498 57017.69819 36121.48474 43343.66229 88192.04886 70825.50844 90857.62536 33223.74009 40557.33033 77610.11912 56358.23978 37566.31773 32505.18882 48755.14788 54352.12231 36995.18671 90808.9216 121434.1755 39706.98962 40101.77324 46736.46683 111815.6372 70021.51082 36662.58386 63003.35553 102266.0828 56335.62199 59275.54065 32014.68023 48076.3441 85970.1606 38967.55509 40487.76057 51548.25779 50029.92213 56683.50528 37544.33215 79982.64537 90622.06831 39504.18624 38609.66841 52725.64161 94683.68294 24676.44907 34899.72475 45917.60256 75343.71757 35097.80428 51171.76821 26093.76953 46855.48361 47335.77167 31487.5193 30969.4014 70531.16509 25700.80014 74800.65678 42640.03404 49875.11031 57915.15223 38565.33278 81151.65629 22164.78103 40779.87918 53763.56607 23336.19626 51027.55561 106395.4517 37339.48077 37673.37894 43282.92317 60562.35485 43347.40063 70823.59715 47981.18763 82193.47699 52964.73212 61776.00052 93649.80076 67598.07231 67599.97991 58882.0123 39762.14111 118705.9286 34497.86208 60588.88424 40395.23702 103023.0325 42401.87628 72726.75764 118905.2918 46185.64973 40485.05249 75873.63902 45601.87334 71762.8585 62813.97274 66921.07407 111240.09 44116.07382 57261.97602 55362.19169 63434.69453 93416.95885 40315.89466 57007.41869 94450.46971 98927.06885 59614.20785 41902.85321 37825.75328 76103.12941 38742.97211 101575.8644 39573.68832 33344.01239 41358.9223 50235.28251 80464.03959 65355.52873 17251.023 47541.40536 52727.64569 51032.32124 76501.18882 86356.11427 44757.69175 52860.89464 36328.55719 63783.59663 40072.04391 70461.04994 38527.23314 50593.24004 66337.13154 52505.78574 43124.8863 41792.3346 24289.48034 41878.44533 63319.67168 38782.51785 54334.5535 47160.84407 60314.27854 41987.2888 38011.36874 39635.51566 57619.71424 69098.47695 46331.64512 41232.77086 72421.90848 46149.60564 42284.77119 Glycerol-myristate 29860.60913 30055.18712 30700.83559 28564.72024 29791.30052 52388.26338 7658.044069 9891.882195 7768.21962 5724.825962 7445.336031 9304.726676 9409.172606 7029.582056 8800.595421 9054.826121 8464.284711 8106.109623 9400.886333 5954.576805 8745.761283 6596.999335 6185.065226 5449.450029 8318.324449 26935.82112 23036.25513 28295.84689 24801.78896 23574.28696 30034.18746 24571.33966 33488.77613 20295.91866 29793.53423 21990.20377 34438.68308 23271.12627 27541.74657 20677.10184 31315.69373 37031.97245 24331.97263 22717.57695 21186.4937 21788.64954 19026.2831 27694.27447 33245.95785 36479.04439 26061.30585 21010.49248 33464.94324 34010.69614 36708.6438 23957.59275 26187.09914 34954.70645 30766.43478 44888.05257 27526.22653 25477.98941 36079.94238 33068.52719 33223.558 37319.62999 29049.62259 30349.60636 35892.00852 32864.14522 35670.04126 26337.0766 23597.97618 23393.78183 37289.05669 20873.27245 23753.28574 26849.12035 33069.31534 20623.41597 38609.02289 24610.1906 39345.90267 24767.27676 28136.93601 19502.68463 30676.16439 21657.20923 34734.31427 29093.31299 26320.66176 32295.13581 32473.91524 40606.09507 28567.09234 27468.07526 38963.03699 20161.53839 20992.51173 36804.57052 27672.93925 26400.50871 44800.09278 29212.36582 32923.19375 41702.73777 31068.70414 38284.12069 38074.35603 31243.99895 36550.12959 30128.3196 38426.20151 24890.77319 33960.84145 40918.32406 28339.59845 27689.66031 21987.18323 31882.76438 28792.73432 47546.00491 35378.12061 46855.08419 32101.1164 37990.6256 25554.52569 38823.48618 28991.27997 46302.12611 45602.52216 45981.15297 32834.446 37321.51056 38238.99287 49015.63663 32029.94879 20432.30564 36332.58194 43542.27852 24488.8427 41367.22719 25177.88166 36974.90617 23989.18799 35451.47385 25103.58613 30388.83548 34759.48547 37021.91961 40474.65763 39998.48775 45694.89897 32230.69978 38878.83922 29904.51539 52071.83067 36808.71281 30578.57862 26420.22045 31235.48112 37849.81779 34380.43335 39507.96852 36638.0869 24681.05914 39489.95894 30318.75846 25825.64068 36140.2958 32262.62904 32628.96856 44694.2258 36925.37568 28360.19415 42502.69935 29615.88496 30593.23368 26616.01459 27282.91124 43423.86938 39579.16565 35595.76337 30145.58624 42667.60913 31689.55523 29572.08631 LysoPC(16:0) 371346.3207 109545.1585 87407.89791 1278380.127 283768.3712 178106.9179 55927675.55 57011690.79 54794436.02 57308922.31 60122058.47 57987623.29 57298837.13 56286579.87 57001391.35 58351477.89 60056602.87 61643074.47 60179711.8 58301028.85 57615064.61 57722893.48 58989666.35 60949541.67 59021083.58 63672205.33 59286348.24 50753835.61 72366133.18 70416788.59 64776185.38 67791275.42 49853516.39 70822169.63 57264951.76 58972161.38 45106944.29 77157775.64 67416427.04 73006349.59 67320192.12 54688577.08 74750462.24 59944298.46 58231139.26 44621130.53 72408591.32 70771432.49 59041898.14 57134456.53 70733731.33 73422084.2 69545132.88 53636317.92 55963144.92 72320349.07 82991667 66894071.28 54028141.01 43702733.56 68279646.38 63385797.96 48286726.05 64581973.8 67440777.99 43807349.04 51926445.33 55997690.34 58780429.88 44453694.51 51596945.94 71147965.71 71583792.94 74253844.85 55597420.84 71589350.8 62112361.21 53446356.3 46671143.19 70979064.24 45731773.37 59794268.84 42541609.64 58659587.14 67048065.68 72838415.88 60769537.45 79797239.8 43014035.25 50848556.57 55369688 62421104.55 67360419 52519672.34 68543014.73 61319580.6 50523805.88 77963946.68 69635247.71 55819991.72 61468235.48 66296560.44 44235050.82 65316174.59 62244594.36 47260527.06 63075816.78 43779387.19 57537671.28 50569347.21 43914147.87 52538921.35 52365912.98 66021494.34 64989735.7 54839972.28 75169467.24 62167993.67 78010462.72 64638949.9 75789694.37 35804813.74 47167974.08 53645599.74 70292476.71 52481250.79 71214015.36 46263357.99 60111237.16 56400684.76 49442615.14 59985177.79 57884346.12 70393712.27 57188485.78 44448290.16 69202846.81 72048165.64 55961535.34 44735767.57 51188617.79 56454680.08 73360666.32 50609749.25 70037940.23 45885414.02 76076735.4 54739450.64 51494758.31 63785144.29 41039061.24 43434623.47 52330417.46 50376066.62 62398380.49 55805767.7 45279998.15 48799668.92 68850356.8 61272552.25 55287580.84 39844831.31 58399027.93 46002962.87 62427879.12 65918254.97 43581651.29 61006911.81 62136862.93 41206937.07 49425890.92 66708248.76 43945935.01 56987898.09 57473722.95 46791797.41 60629162.85 61802355.54 61226087.78 65058680.45 47679721.55 53721888.71 66883256.44 65673195.04 57258776.86 69402280.24 68771283.18 1-Arachidonoylglycerol NA NA NA NA NA NA 43606.08647 34484.00074 25281.80511 37587.06916 35522.67272 44648.32951 34395.82551 18744.94946 26891.53313 52596.18213 36158.64186 38667.33602 NA NA 25860.2088 32016.65745 33935.94388 35881.67902 37321.03654 NA 28140.34522 28655.06757 60489.99916 NA 81174.34613 NA 66360.40003 74472.43957 12546.00426 135996.3569 171155.5846 44705.86668 91870.40859 NA NA 64536.81961 42849.11579 33047.69742 NA 31175.26046 56137.58803 13133.57727 28872.98255 85905.90148 15159.07732 59889.91604 NA 32024.35358 19451.73213 NA 104486.8644 150016.5537 63864.91634 49748.78678 11530.22708 NA 20333.66358 NA NA 27905.62817 29863.74468 32829.7896 NA 50554.89767 80878.83397 52846.3904 NA 34655.33955 65228.35257 NA NA 64002.57238 106310.6567 NA 81663.83285 66701.15074 61716.47018 23019.51926 13704.41435 76815.16043 87203.48006 11524.39999 48605.90701 24290.54052 NA 18489.27067 NA 32621.81942 NA 30360.20428 38993.11625 NA 90813.51125 184409.0933 13935.80669 NA 44391.52097 28890.94596 NA 60136.9543 NA 92605.51524 45114.67994 56740.6995 62811.74277 NA 126273.3707 74451.8247 NA 288502.6754 15142.5277 178682.9879 33081.17947 54319.67711 NA 26973.46412 NA NA NA 86896.44943 NA 62833.94732 66112.50591 19249.92676 32967.79785 NA 25766.58673 NA 13935.07896 39355.28279 59151.17254 129964.4056 107143.3694 176016.2906 171254.0147 23915.14458 22361.65391 104935.0185 23884.10216 35832.19538 129763.722 24840.43333 50420.33034 NA 94473.41822 142970.814 28303.22536 124252.1088 NA 22215.42098 42948.75554 87939.07798 NA 64977.27779 70702.71292 81323.19223 NA 40043.97837 NA 48922.3314 55842.14493 NA NA 100448.3012 63869.17124 NA 43023.48149 NA 57495.23302 27001.89447 NA NA 36170.5212 10805.81278 46248.3046 39331.18705 NA NA 64885.13658 NA 74083.32782 1-Linoleoylglycerol_2 150054.5185 37433.30432 44862.05713 192778.3916 163797.651 125746.7585 438421.7138 422645.3932 407529.7859 406806.9672 429830.3489 390470.6325 394381.2391 380870.4234 384018.0334 394800.1351 427528.6672 448076.6599 426496.149 381492.6582 366923.7146 358875.5167 376162.9685 412918.1575 377375.1122 318868.2169 270824.5732 294801.6075 261320.3067 222326.419 497103.3555 352373.9296 581516.7676 510516.7864 481825.0556 547574.3115 853602.731 445692.2088 699503.8999 358116.4878 280389.118 387421.1349 301579.0718 296299.5126 339213.4991 367738.2692 343185.8647 489572.9354 416761.0918 884310.0869 467218.2816 663838.8216 339756.5501 339940.5015 390862.4487 495222.8204 792890.3052 1284900.177 438226.7146 645651.452 590524.5359 279555.8148 346364.8225 319704.2759 421122.92 400242.4799 346881.0159 332920.936 469173.0668 465693.7451 574050.7023 406583.2314 361409.7178 459778.207 823323.3889 302255.6763 317035.3981 348730.2154 513374.9744 343909.492 621515.1703 543632.9236 531762.5794 380914.9143 448894.5373 487233.8583 585725.0887 243945.6803 383097.9974 300897.2565 348062.2972 351551.541 383924.1306 432341.9167 328783.5525 301269.5216 419888.0398 275461.5924 636241.7759 1052087.337 295856.2602 345011.7223 331696.9938 378786.8754 492061.0545 519230.5244 432200.8675 639994.7462 385923.8121 393468.9149 429724.5359 423563.814 1161670.218 576101.1632 381112.5471 1488297.643 327277.1968 915897.7909 362101.6447 480777.7517 344647.2538 466521.9079 349172.0869 503208.5807 317349.9625 571222.8316 253865.7487 597366.6864 484473.9588 618932.3397 453246.6097 473811.8877 312131.284 367626.5375 311820.8168 346429.31 875231.0868 901837.4988 823454.7835 904160.9677 736503.2633 403409.277 250251.3891 608331.9472 324596.0972 368603.5317 2677197.104 326131.4066 380500.1079 501345.4326 622457.9047 793020.4432 611299.2792 613042.9748 488521.8069 303250.1794 411122.6663 434260.4145 300180.8275 309545.1022 450200.3344 554237.7898 371509.7483 370728.2399 357397.0711 300570.7844 404317.9838 244931.0535 306922.3227 482810.8126 401269.3737 323199.2124 377023.6962 366012.248 349487.6057 398955.8641 297253.3427 342330.1618 291424.1651 289408.9537 377486.2938 363212.456 375367.4346 278645.9782 739029.9927 406807.8278 504007.6223 Alpha- linolenic acid / Gamma-Linolenic acid NA NA NA NA NA NA 25017.92926 26601.31126 28254.93085 20628.86123 28472.72757 35591.80645 16940.01083 34592.33515 23310.16175 28454.86143 18323.81424 19456.27446 27413.18218 18168.55112 33831.86563 19137.29581 18723.96259 28582.00357 22130.25094 87571.18307 44517.27163 26257.17696 13121.05456 19536.64944 14192.69923 97898.05153 20314.03049 65535.54668 46140.3381 23582.4339 27652.5337 24756.06982 25256.2734 37481.74033 31859.8175 16073.19208 20695.23025 17031.38939 19566.86274 9931.707805 14284.23623 39950.7346 19948.48004 21714.00805 54680.81562 36746.69788 16970.50354 15633.90564 12053.78295 50364.86993 31508.61663 23311.72622 34806.82374 19949.81203 53304.11515 50587.56588 26949.52757 64450.20505 21708.98305 11938.6417 14579.79865 34786.02929 54360.52868 34627.94766 10237.63789 9517.731433 13496.68603 12556.68761 14424.04224 6299.213421 33425.28528 29570.32303 21683.77702 28290.45249 20058.62907 23355.50763 23763.49553 34630.93342 64570.71586 19130.85182 23183.25644 18330.41442 15568.7092 21811.87672 58882.43062 25626.36353 57820.51204 23846.09451 20539.3417 14513.83856 20848.34223 30215.13449 26337.62494 26052.56706 8019.075175 7513.594784 14239.09405 32648.40282 78665.61761 23496.54187 18204.95017 13478.2886 7111.019118 36414.99689 20673.71416 81404.87406 10874.3465 15118.52708 12059.21594 16805.53379 14069.40156 10460.42306 18351.72396 20163.15514 36726.97325 41529.49387 74081.00651 103762.7652 27494.8653 10219.45631 16575.85949 8812.688274 15891.05113 17617.48919 11878.64995 12771.02162 8868.947217 87936.09212 44804.13046 23179.36346 30368.63516 20015.16793 15368.10456 17221.76741 16019.72304 18420.52493 29813.45308 17674.06334 38437.15071 16735.96655 88810.47374 19845.57284 10177.9255 20979.12625 11733.93606 9443.396347 29307.77243 29002.6204 23621.42092 14284.9631 15132.57821 9111.30013 24670.70172 15224.56874 35611.19462 16613.96018 43224.24086 10463.43365 28199.63318 24812.94393 11079.82063 20867.04442 25129.39507 6141.452239 8723.32305 19163.04097 22645.1061 49632.63319 21784.46793 17086.5112 12850.2455 34161.42734 17903.17046 29123.69457 12831.26926 16136.59325 51121.73419 31599.07625 11255.86071 19123.31764 13597.9066 Palmitoyl-EA 29949.65921 14360.08793 12691.07728 52257.12316 50748.4654 23674.18516 65270.49394 69300.20694 70519.08098 64217.25227 73748.11663 59112.78989 65452.90777 58681.74883 64520.82854 65537.88383 71002.86844 68538.5007 48245.59869 66261.37245 64366.9359 64650.07331 58724.51168 67363.85562 58633.73512 63443.62665 68005.99629 62639.49562 51224.60235 35313.25495 46703.20436 75943.35814 73910.56408 78719.50977 64416.44034 91948.8647 66997.21212 52591.47914 67521.29575 54762.90183 51093.25278 70707.41604 60995.10586 77558.89712 61070.44962 70856.43545 60541.06777 54578.78327 73134.1819 81831.6463 63855.64459 94422.05366 48184.52876 38248.5116 47383.85022 62255.18705 111974.0663 75642.11873 67042.96325 64896.66602 60954.07595 56034.62153 61482.64956 63011.35984 55323.31095 59081.90846 57321.25313 64694.97946 50690.02988 68294.6784 64874.54051 65813.24925 47286.13198 61220.07872 71109.45047 35036.07864 36125.52079 62441.94606 64180.27346 45393.78356 246646.6341 73411.02243 72431.77354 78481.93599 87311.06074 31927.9433 38612.3628 27608.88896 73628.27814 73212.28136 76923.06237 76063.9522 57699.76789 59848.36337 52234.62422 48607.59999 56818.85011 29332.9493 64038.67822 69135.5198 43744.80999 49299.32262 59256.79141 70333.83194 81936.69341 76690.69942 77411.46573 73615.09294 79411.76747 51359.15143 60489.42221 77998.7955 65309.65815 85179.99409 44933.80582 75989.53591 47688.61614 103651.2948 56980.17498 62795.73001 43873.95033 63479.64275 92552.48405 59111.5386 44779.08024 52080.58327 58130.56109 55268.55637 58127.6602 71222.17873 49815.00303 49768.40946 44137.39805 70006.89441 55937.61174 70642.93029 38419.8278 115016.3713 58449.18795 66284.24517 59473.79585 44844.5612 66925.80209 67249.70213 46840.50658 45917.58236 81486.05042 56758.00737 57623.30441 56686.33638 59890.54597 73948.29979 54160.30338 67646.47694 59540.23427 41364.58544 46878.10064 52326.35783 50431.37872 45066.105 50078.78724 66392.1537 41904.98176 50843.65951 61887.21092 29286.65066 57112.49167 30801.90456 45479.6077 47502.01203 37140.56948 33825.87019 51796.29775 56031.60691 72467.57931 49618.65338 42066.95422 52880.25208 51241.5171 38331.05063 55660.15064 45741.18328 60724.91487 42800.46861 59290.79057 43880.49065 45580.14776 POV-PC NA NA NA NA NA NA 1152075.151 1213654.317 1189821.295 1224482.659 1251766.112 1206768.458 1268799.817 1181506.629 1242026.884 1234222.009 1227244.951 1302710.965 1280491.177 1244632.748 1257562.832 1475669.631 1515605.699 1524861.218 1429430.355 221748.2937 2805486.837 2961398.373 1568959.608 106935.7995 1015703.793 132489.93 1585984.82 1987255.895 163988.6778 3029151.955 2403600.405 3118989.094 3038846.306 199323.8144 165282.5296 2186886.198 2862044.326 3818956.353 122144.1998 3903791.569 3516513.932 149352.2132 2896222.477 2146062.622 145683.1783 2665344.46 156789.6358 2863795.001 2070715.13 125571.1379 2250219.478 1417855.424 2726451.725 2548910.661 154798.5607 2628848.573 2160703.952 112398.4291 131572.8358 3143632.324 2619433.431 3409105.664 143649.6122 2359773.13 2149751.036 2543113.087 126877.4693 2144357.556 1207736.005 112951.2317 328698.6186 3280844.223 2679587.494 176983.007 2520529.669 2653129.792 2806748.571 3846419.207 192816.6693 3426527.172 3164322.483 180332.6485 3753465.457 5145959.358 242012.7042 3165614.927 289986.77 3362896.799 188685.8919 3685822.376 3379071.063 103233.535 1623197.789 1343208.244 3811012.923 214444.37 3176021.433 3857372.348 248161.9175 3020205.982 192623.0824 2578283.125 3202244.08 3288607.371 3340980.251 241412.7465 1071744.326 1844196.505 86386.76114 2477198.98 148444.9973 1776414.64 3879571.843 3578912.377 226902.6743 2565674.689 1925112.317 127237.3504 144931.1986 1735449.645 4488650.491 2305410.675 3348175.291 295125.7965 4140490.669 257125.6432 4523375.003 196938.9211 3623927.017 2228988.594 218173.4589 4131183.767 3432106.026 1641906.705 1598022.469 178966.8561 2178543.33 2182563.265 127405.3187 3128447.809 198439.9305 2893894.322 2198901.173 135394.7531 1949232.506 2323519.017 126575.6716 3167324.441 224136.4262 4100817.956 3668429.131 2460932.531 143663.1039 2569189.724 1904752.981 1682847.749 105660.3303 4041406.58 220849.8163 4942526.851 2602372.127 3392647.89 129236.0075 1595409.412 2105390.707 146068.7393 2038674.504 135166.2817 2510533.411 2521824.715 2854013.8 164619.4066 2252553.576 127493.5726 1740163.824 3471088.604 170983.49 4670884.002 2377312.28 119645.2802 3087837.123 Eicosapentaenoate NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 30213.39008 NA NA NA 37767.54169 NA NA NA NA 54100.77109 NA NA NA NA 45041.19568 53560.18424 NA NA NA 40827.49817 NA NA 36181.49833 NA NA 43885.31757 NA 50404.62012 NA NA 69279.95106 NA NA NA NA 60751.04203 NA NA 33429.22821 52412.58627 NA NA NA 64957.9644 NA NA NA 47886.46442 NA NA 35546.85868 63447.47507 NA NA 69622.86701 NA NA NA NA 60698.26867 NA NA 46480.22981 NA NA 61285.77003 NA 54668.24864 NA 50274.04833 NA NA 33618.07784 NA NA NA 54558.42358 NA NA 54114.03487 NA 50720.60508 NA NA NA NA 58447.99946 NA NA 39639.49486 NA 50695.65852 NA NA NA 51087.82469 NA NA 76357.15893 44814.84424 NA NA NA NA 64861.65089 NA 47955.9523 NA 57212.11629 NA NA 70538.66934 NA NA NA NA 55896.48071 NA NA 52411.12932 NA 84863.97998 NA NA 66767.55529 NA NA 69684.47447 NA 65034.92444 NA NA NA 41731.13332 NA NA NA 34906.98869 NA 52839.47172 NA NA NA 32783.24465 NA NA 29585.23093 NA 34401.84949 NA NA NA 57120.71611 NA 40299.51941 NA NA 43446.93801 NA NA 57204.18673 NA Arachidonic Acid NA NA NA NA NA NA 162406.2399 174187.3119 140819.1988 159693.9287 164509.0731 156071.6671 145158.3906 154414.4661 161489.239 141900.3239 158399.5239 156382.1692 161292.4034 152618.7932 161136.1024 134610.6595 150301.9744 142660.1041 138742.1096 125246.2466 134890.6501 97807.97523 223447.923 60873.981 134717.1373 140910.2185 105492.8729 301633.771 109893.056 275675.9362 127353.6549 449562.5606 253547.6156 128100.698 95456.61977 121047.7645 402718.4928 233188.4424 68479.46376 78669.00105 224517.0036 187730.1432 97720.16315 96297.38589 78168.05517 248483.7948 114609.3748 86029.61044 83219.70426 117366.6514 415029.8243 186909.1575 115812.9266 71032.88856 124116.3076 133191.2528 85668.69643 109663.7859 59665.72871 58110.64655 98116.84879 171130.2137 104824.4169 108070.6027 121438.5255 306018.8365 72624.89633 320225.88 115482.0779 NA 95896.60371 275832.4576 148832.68 61715.2932 85822.03344 238718.9483 84524.5975 112497.9112 72135.46536 223354.1777 220512.0033 67271.6156 116662.7353 169408.3075 158854.6198 101683.2655 98770.46208 83348.34676 42670.65756 131266.4642 69195.77409 56857.43571 438497.0307 190595.112 125452.7984 96526.62216 65550.16576 143929.7333 125330.8558 87450.22727 78197.43098 110367.9808 151464.8628 147041.1641 97309.75764 124090.6768 52623.01557 228471.7292 46690.45598 146544.8144 82897.61925 281842.7517 193660.2233 124868.8094 124924.7752 66740.34519 90210.07694 62286.9976 59463.69592 153697.6403 484148.1271 91658.20355 185394.4178 89480.42765 66335.23483 54267.96202 88552.48064 170016.2012 122108.0669 81678.47954 93290.17559 472490.8345 149505.9488 174014.2012 306349.8063 66194.73577 545706.5667 129808.0208 85717.32173 63121.61475 138847.5408 74387.83039 102645.6722 69432.8859 104908.2934 105022.8768 38079.70217 241759.4055 68758.64715 82215.36275 64069.6443 137486.3212 78399.17538 215384.5959 313280.5476 112977.1012 146837.1738 47713.41701 45544.63843 119274.1842 76318.45261 151699.0986 87290.15822 96639.77681 131579.2383 80718.88594 75758.28105 46489.75553 176382.356 48502.49064 63276.69092 56051.58553 185539.7868 53365.30884 80785.17387 106165.5421 137767.3817 194173.6037 93883.73732 54106.27028 213205.2642 Docosahexaenoate 73545.40321 17821.96407 18986.05989 NA NA NA 168215.6776 146466.0661 143538.1725 154388.7012 156025.9124 148751.7254 145335.0636 138914.02 138843.866 142375.6409 133002.2227 138647.0513 150848.6769 141900.1728 137480.7903 132922.6791 133521.4259 132565.2455 126407.2992 223603.2381 135652.2481 134741.1325 118997.2635 169563.7092 134124.1589 382388.4864 127385.7095 251922.907 232077.6213 148425.5558 111069.425 168187.1706 121830.9839 168150.5057 213632.1307 90161.70583 144184.9891 135029.8615 151920.2508 97409.17603 166881.5391 435157.407 184488.5006 114389.3098 163365.1196 169831.9231 196169.6742 100621.3924 100133.466 291479.3169 268576.2802 139436.9486 166037.2939 124826.7245 286528.8641 164466.0669 134592.8571 219345.2531 121661.4335 102516.4623 107906.8839 162466.2989 235003.009 122585.5489 101495.1647 146667.6342 145443.9413 115942.8215 68260.11297 89594.27073 249935.0233 165540.4361 132126.3232 178158.628 92355.00324 157694.7597 137225.1489 185050.3602 201100.8261 141957.8035 131200.4336 143829.6683 139480.1083 173312.1477 223148.2272 151702.7352 310577.247 152092.8777 128659.4454 149126.5344 113523.6185 148290.996 173641.7116 153819.8328 173750.3268 167242.4664 107432.526 124212.8277 228709.0145 90091.93585 156991.1378 132677.5234 95376.46707 135695.3003 114834.3819 169807.6208 108669.1699 168917.1985 169730.1314 110322.8528 260133.3002 202570.9573 137595.8787 99331.46511 251154.9317 104552.5764 104400.8751 162550.749 152833.0065 124888.7433 142667.3858 104167.1199 126543.9496 166843.0688 110173.0797 134100.3629 108323.2556 287067.5176 157749.8958 127462.4598 156167.6449 180306.7966 81671.18407 105819.0941 113531.7629 152457.2394 158865.6499 111584.0443 110937.6228 99358.28063 271445.5278 130175.0569 137783.3333 183229.7362 126072.9429 178266.7346 192472.4714 216143.9137 187063.0095 148907.5887 131298.401 136221.0244 155775.4259 130730.2646 180783.1345 137021.9568 232015.9649 79679.02846 166999.7493 132268.2638 107633.633 115820.963 129854.1986 103089.2369 109655.4256 148904.4912 106853.7299 198525.2197 155660.2295 60752.70195 77496.34424 150544.3126 98214.61612 120634.7095 82164.11196 115833.172 185892.1358 139555.4745 96598.60234 110513.9415 145069.6328 Linoleic acid 71205.68722 73697.38622 98042.84649 94666.16367 109037.5472 100256.3282 67764.78561 81578.76309 91254.23192 80558.04054 83306.63408 78537.21183 75387.9795 71974.4174 87122.74935 74848.01064 89178.27359 NA NA 75120.70881 NA 70071.41445 95775.82183 108303.8703 89257.81446 150842.5896 77169.01082 92040.49781 48681.63573 105984.9038 49697.49837 212425.863 84105.07596 118649.6674 158025.9554 81765.67208 67633.63306 NA 70630.16637 134651.736 161964.8381 45025.04527 NA 69929.18202 137834.5457 59535.58832 NA 134599.0506 83806.4375 84486.53904 162905.8047 83405.0908 150703.9475 42156.83616 46823.59764 163924.8065 115403.3527 66659.50324 76090.79038 86353.8903 169271.4431 135456.7424 88677.38691 208879.5223 129202.3094 53437.76846 57221.76587 99648.2783 163174.8887 NA NA 57095.21839 107131.1327 101989.6145 79401.53706 93360.06767 165218.8592 NA NA 122328.47 NA 93169.90766 75464.87812 107492.9859 168759.0588 49957.02858 71753.51884 84268.66799 94651.1765 98233.71747 184029.2406 61033.83516 159463.4646 69987.90497 74248.18366 97061.56994 65682.37903 128859.8142 123411.4466 98518.64558 64469.90321 103695.3412 69955.10158 128128.7164 197808.762 75588.04456 141586.4425 62363.48507 71394.97948 91975.96622 131008.254 149347.2821 NA NA 115580.8114 67277.01326 120098.0577 110693.4563 NA 42385.07992 162576.405 NA NA 170324.4893 150057.5483 96804.84238 85063.44579 NA NA 117972.7021 75216.13092 121698.8988 49361.95946 199232.3589 87531.13054 77825.13809 131514.4558 121104.2249 51583.55621 75504.89893 69551.01867 145579.6682 107138.9268 75330.70711 144485.4297 43975.3353 204282.1251 NA 68223.36445 135695.7489 64686.97887 96327.84121 126806.8795 91229.41431 104928.3125 37357.07254 46547.93275 70721.08447 164005.5678 NA 112575.5305 94348.21455 169225.6577 38280.02549 119177.7713 56205.12143 62589.48686 71859.89725 124058.7695 75831.28265 NA 120990.2557 79629.45344 207418.6789 94768.52989 47298.14219 48727.63057 154401.5286 NA 133870.2652 81593.8293 71210.62674 184012.5869 91451.05708 67469.59248 122767.1284 68165.66869 Oleoyl-glycerol 210317.1927 185912.3466 246657.5879 243157.7079 208201.9863 290392.8488 309279.2639 343303.6217 312937.4697 333333.866 345598.5138 342874.6654 330114.5472 314399.6211 318006.7686 337976.5288 344086.129 338591.573 323313.8433 331283.8479 320727.4452 287707.694 300780.9663 304593.1814 293998.4381 313981.6015 134945.6082 149721.4918 184507.1116 202970.769 563378.4739 326139.4515 447916.9175 373944.8898 417882.6341 274914.5339 352093.1438 293210.6415 468605.2789 460562.3472 306582.9079 208650.1792 113154.4052 165768.6842 316168.1329 199877.5698 150937.4 772017.5734 319369.6235 365826.2001 355575.8612 258457.4752 334020.8517 135743.1566 101174.7283 696129.8464 652254.8719 1298146.951 264587.1903 521619.4508 937848.9164 165880.4451 267192.8492 411774.5984 347677.2063 177045.8762 143162.2909 150471.8676 535994.9173 376147.6228 362516.4829 233499.3469 238206.9773 404562.1204 1127325.859 312709.5426 330828.4855 226470.7789 450461.3678 360345.0937 441279.8509 518113.1286 327232.0861 333408.291 486430.9831 651640.0827 906544.7141 318038.6171 460869.9539 365753.9824 548388.1094 251217.1415 365623.6297 234977.15 357840.9206 237647.0559 296349.754 262598.377 600609.7949 1026908.435 198324.3189 339390.5906 251679.4167 167443.4816 438650.1866 187265.976 361215.6994 470081.8968 181154.0746 182278.4695 240646.0441 399029.6341 998763.6372 398951.3266 420623.8833 1427687.811 288260.1969 705578.1383 179555.663 316823.9224 894988.6237 259547.6479 125167.3734 451590.1541 315934.2414 488985.1936 200048.8138 454516.3421 289543.3206 464692.275 223152.8969 355979.417 129587.8937 443834.3669 146850.035 199122.5267 1302312.098 611534.449 430457.5519 537486.1805 372532.8518 463016.4811 163109.1876 464872.6344 221162.8634 178485.9474 9148412.271 130932.2827 258516.1082 632024.9192 511694.6352 617250.3145 548432.1274 494505.8174 486473.7228 130077.3292 168003.1876 357782.621 363245.4195 158871.1435 445907.4311 497187.7265 451614.0288 127926.6289 360166.9121 164660.4598 242546.707 143724.8649 336294.8282 464146.6717 436248.059 325754.8199 200685.3106 444497.6234 205819.5884 126678.6082 94361.43071 392876.2125 156552.4726 327300.1148 206028.5676 281067.966 436508.2205 150751.0981 453277.1313 447229.4071 245692.0535 Oleamide 26373.42264 NA NA NA 73366.15395 NA 80968.66166 97152.34434 71640.13749 92010.94455 90124.66152 84493.73853 85794.24485 86647.98471 85656.48817 78140.84448 92888.77727 89477.41874 87727.49629 89329.39394 88569.98741 93250.89655 91605.01735 87748.62631 86869.66222 NA 75540.57717 NA 66590.01556 25622.65608 107093.546 45820.92721 NA 71410.01562 39704.53262 86963.6387 NA 53152.50144 29476.27845 36117.25033 NA 27447.92617 155731.4844 68910.88554 51538.33388 55142.40471 40943.47927 47523.85004 NA NA 34138.00524 185794.9028 48546.21859 57423.65392 43464.13526 34599.11205 88170.02799 35329.17009 70420.99812 41566.04424 146651.5 34204.59555 34591.66411 36870.07831 60665.99301 24478.01238 49921.87246 47040.78698 211798.3043 45322.02967 31628.10258 126441.0868 42734.96911 37470.43367 28761.66193 191606.5413 31387.72306 47681.61114 NA NA 24110.1329 117878.5645 72345.67616 104064.2842 262471.4863 71158.44886 NA 25343.62687 63313.84121 49175.97728 45628.48396 56888.45483 39255.95228 NA 220479.2297 59536.10035 37369.18045 49985.37562 104841.5645 34070.6237 95886.97425 34187.92756 87263.31096 51561.02798 NA 42388.49894 33432.50316 28918.9808 41046.74453 71088.88024 NA 76002.46359 285090.5148 59836.23996 38808.52315 45609.0857 42256.73156 63409.43055 167010.8977 42510.42704 29801.25156 75190.20011 54237.02572 79375.45765 NA 84504.6955 92989.27819 NA 92981.5863 31334.36878 35822.9492 106689.7228 204619.7531 49388.06745 102967.9549 34329.53879 42930.21507 53214.15858 56784.63998 33894.65263 94836.52953 125026.9086 183554.8725 66791.58933 NA 103557.5108 30623.76564 527684.0042 4747537.93 46158.30821 26335.23535 100916.2932 193915.6466 397663.4699 32186.97031 55389.33453 NA NA 30248.9798 84956.91068 175676.8202 49299.25937 45083.51033 NA 228308.5173 51153.79495 36689.10547 70809.57722 33824.42771 37234.43626 42108.44542 30171.31624 28932.11044 167735.1279 280516.3208 139018.3082 41940.93828 24905.12149 43054.37812 21354.2002 26749.39031 102321.6778 45429.95666 418053.9766 28203.52023 47257.8044 83235.98272 PAF C-16 115811.8688 52747.90251 32151.69025 565369.3748 144001.8489 68197.90289 38055236.88 39786069.15 39134409.08 40189990.56 42819810.88 40606241.62 41537951.8 40166079.04 40557152.61 41930678.6 40042667.49 45614871.31 43166971.68 43543035.08 43262297.01 42833669.65 44695313.72 44180869.26 42728303.38 55457228.7 38380940.33 30182938.62 51354861.24 63927874.89 43650664.53 50100236.49 25336213.36 54389189.36 43769321.84 36619900.37 22301661.25 65572738.22 43711577.68 71103744.57 63658262.02 34921777.2 62804244.94 38294277.57 42641796.94 20796981.16 48314436.13 74766400.29 41494312.55 34349758.8 65030455.15 60300114.41 65037735.76 28084936.75 33531700.55 77559194.89 72191771.51 54683919.32 21825781.86 19301739.08 47816301.25 48266596.38 34598416.73 61727356.84 46909043.47 19455121.8 22852096.19 41317593.54 53432091.63 32074024.81 23795844.05 45452576.6 56797227.63 61626238.64 41557461.99 71862658.67 65234799.51 38965000.91 31429013.04 71291420.97 36250341.72 46802049.04 26901609.78 43729770.27 63706569.15 62524570.77 49713242.94 93655545.21 28402561.09 33978369.07 46435599.79 48315101.2 74764105.28 38338607.15 68419416.75 45565479.58 36532900.15 90652083.05 66078451.38 47027313.29 47622276.4 56553858.19 28677966.54 40407797.27 61350151.25 24282561.21 44916737.26 17861458.91 24828570.05 29831122.84 25868724.72 44931758.72 31674625.06 42910744.07 50553259.09 37019907.18 76094380.1 43622518.1 47574221.82 27502940.54 68485581.92 18538194.49 26085559.51 41957758.2 69921945.38 40576031.9 62279094.93 23391942.84 34060423.28 34197228.37 23899934.27 39094972.37 30125470.98 72773760.88 32327060.65 26401244.88 65783285.04 54353016.58 32423188.98 21012764.35 28682991.74 47064216.14 81905532.43 37388022.23 79544453.71 15431388.14 78002384.47 21617627.67 30493240.38 55309144.52 23947337.56 30000057.54 42925735.46 38552614.62 43472720.62 24805911.55 17909655.38 38132742.69 71164168.26 42079217.63 39228300.56 22467668.95 43244543.61 19715266.94 56006346.96 41717343.78 29791649.76 49553326.07 57826300.6 31249778.51 37852428.07 68442457.6 16858794.87 38446560.66 30838327.11 15672847.87 27461434.79 46630511.02 39386675.16 58543948.27 22765016.86 35418042.59 59830510.94 50293666.66 35650805.87 61737762.08 47235686.82 Didecanoyl-Glycerophosphocholine NA NA NA NA NA NA 114546.3641 124669.2073 122465.247 115104.2822 143515.158 125316.5497 131607.6441 122650.6387 142058.6779 118481.5115 135340.1283 159777.7468 118695.9943 161603.8054 124265.681 165424.5223 143911.7903 136065.0184 129633.377 393143.8237 105593.3557 72381.38548 118844.0637 202320.556 101134.5127 466067.9185 92119.5814 186274.4114 237848.5216 104299.1667 71745.30388 147169.8332 89563.67183 367325.1135 278937.003 83363.07523 123124.369 76689.68044 213129.7196 67602.24772 155782.0825 421873.8141 123619.1421 90851.28364 211655.7082 135321.1175 273950.4104 93430.10911 117536.796 403895.3543 151449.7931 161373.1471 67460.38804 78746.18826 392377.1706 132516.59 138786.9682 562524.1025 170013.4807 53165.49118 80565.80551 111397.1787 327576.8732 126120.3895 60980.88126 87379.06784 156216.5417 100861.402 103594.5813 134302.2981 288855.528 131420.7048 105918.659 158149.522 104046.0496 120445.2076 122006.9328 162613.2248 388294.0061 126518.0659 123156.1774 182552.8632 128320.7717 127742.7404 522393.2317 139612.7255 326151.5169 104639.2397 170248.0108 105614.5288 101000.8019 227164.3262 154443.1667 150961.9899 130995.146 162862.7152 91704.206 105776.7218 459315.0538 107155.8596 280785.6448 89312.1811 66165.82543 94235.88708 113048.9154 391614.5583 73832.98263 92184.0009 182709.7788 108031.3893 232626.388 98246.89691 74149.4079 103178.7602 402466.402 79399.23148 83902.31886 244671.5799 296795.8598 142458.5954 144606.6944 106489.1816 112018.2731 173487.1247 98488.40016 199486.7879 68790.12826 614051.1138 104043.6305 82537.79061 265829.9446 121083.0481 72586.05905 106733.3252 79734.39774 276512.1622 216977.5473 115322.1008 279008.4545 121201.0832 632519.4325 93436.93131 100723.9207 279030.1771 142759.6425 131527.5637 265729.5922 155046.1602 237938.3593 122745.0118 73455.93135 144965.1353 258140.017 109608.7829 157855.4745 105859.0638 384053.9907 91328.08591 350620.577 89264.97612 118830.0964 81995.01959 332420.5274 120583.4145 83524.30228 349962.4426 109358.3419 392832.4111 108984.1445 115784.0651 127555.3195 325818.628 129198.5701 399141.658 74874.95044 112020.0688 464316.5594 162025.3931 74365.34527 151192.3166 97753.06869 Dihomo-Gamma-Linolenic acid NA NA NA NA NA NA 40297.97345 37752.77808 40379.15912 43507.28823 42324.19957 34287.69369 45281.43277 34221.70377 52101.6661 50174.40855 40057.99232 34838.60032 56180.95395 34377.50803 33384.5353 34110.65947 50698.65039 38247.95851 48114.18855 40943.14309 61466.84606 41220.58917 13182.63101 NA 13722.79543 19125.24861 32215.18171 24409.27565 NA 27433.52212 15067.28603 40140.12424 25440.52111 NA 29684.37649 35293.7132 25772.98277 17065.05045 NA 20638.11979 28756.99868 NA 15319.79722 28943.44714 NA 20745.28043 NA 77678.60986 60344.46976 NA 36849.85579 34601.11406 49319.67654 30402.73861 42302.67227 80403.10928 33011.15278 NA NA 39946.48287 84459.44836 36037.26503 23324.72224 16611.06775 18784.48749 18070.00019 NA 36988.65193 22699.00662 NA NA 22642.0857 NA NA 27016.91193 NA NA 18900.77764 24736.62025 23444.54347 25373.66527 NA 20584.66115 31214.24049 25850.86007 79742.15819 39066.36345 60789.5813 NA 22735.56703 NA NA 31353.05171 12966.94121 17817.7381 21953.66181 NA 41047.52223 21046.27574 64579.7815 22975.41038 25296.97751 25302.56373 25209.47267 36147.57648 40585.42388 25219.66536 16394.37745 NA 20717.39001 NA 19913.08564 34725.67876 52423.24406 27401.26195 69609.82406 114058.9239 NA NA 18379.94133 27073.55796 29269.23458 32312.74697 13913.02123 71318.22658 NA 95151.58247 35795.19394 92367.6127 53015.88785 17476.96025 35837.05394 22256.5144 32063.76343 35027.76928 NA 47384.96659 16101.25103 NA 119967.571 50473.96956 156926.7887 49392.83432 NA 26521.33962 NA NA 18242.63816 33841.5536 103008.0323 61033.33897 14562.42596 NA 28340.3111 23706.74422 NA 37118.84114 143624.8186 NA 89183.55695 73801.17573 79084.45901 13696.84899 NA 13546.75098 NA 41891.04394 29189.06565 44968.97231 146971.1282 112420.6791 30660.78866 40737.72151 21144.80289 34116.40313 49325.30629 22820.47843 41359.51132 20250.29608 NA 24534.1611 Docosapentaenoic Acid NA NA NA NA NA NA 7182.582991 5295.450308 12755.26128 12086.01373 NA 13683.27008 13522.33446 13172.22531 13382.09792 13874.45807 10642.58835 NA 12037.41629 NA NA 12755.98247 12586.15414 11612.70168 9851.796553 19825.03329 4681.304974 NA 4338.492418 15195.85614 NA 27855.44884 NA 14043.69666 14799.15716 8583.611873 NA 12583.76885 NA 28504.52926 23552.76165 NA 8102.251109 NA NA NA 12287.87814 32696.3305 9519.633158 NA 19708.30045 11898.61187 23097.70961 NA NA 19642.82344 11285.6122 12198.56464 6200.35617 NA 36412.50271 12069.92241 9684.789876 38688.09927 NA NA NA 12952.82191 25503.71533 NA NA NA 12615.04953 9448.760047 NA NA 27379.88446 8673.027684 NA NA NA 10679.08116 10430.87928 13038.12596 22736.36729 11840.01347 7937.070562 NA 12326.75596 11660.70078 35922.79727 NA 14460.40248 NA 11910.72585 NA NA NA 11051.3128 12048.58727 NA 13222.46206 NA NA 19809.1565 NA 15910.9535 NA 8798.541816 NA NA 22235.98608 NA NA NA NA NA 9357.861233 7343.480887 NA 29082.73984 NA NA NA NA NA 7367.232864 NA NA NA NA NA NA 36870.00741 NA NA 17311.67476 11528.58542 NA NA 7799.631523 28877.61596 13143.74993 NA NA NA 31338.05698 NA NA 10888.59824 NA NA 23580.94663 18008.60669 26326.09002 NA NA NA NA NA 22797.01601 NA 38587.46193 NA 20607.13684 NA NA 16713.66041 17906.31461 6245.00533 8635.073985 NA NA NA NA NA NA NA NA 15542.14666 NA NA 26453.57166 14944.02203 7981.199581 14049.08074 13565.75559 cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid NA NA NA NA NA NA 29052.81305 29286.76088 31937.785 26518.72915 29626.06058 35026.66168 46566.22975 33550.15798 33716.52911 32708.89535 32812.1451 39990.57597 33403.64934 39519.42856 33384.37089 37851.11891 30971.70331 31574.55017 30472.84164 128740.6703 45927.64905 35661.42947 27617.69483 79155.93177 28926.35439 136419.3453 31973.23776 64482.24592 81047.8388 28280.63375 24347.12223 36302.40043 33025.37811 96858.71457 92322.64661 24433.16901 37640.82542 26092.29697 65410.20015 25315.20964 30076.28357 140902.098 48639.00685 21707.01106 58700.25993 27654.19943 94547.92849 NA NA 98147.26947 38186.79341 42310.76512 40732.40914 32107.29062 120707.4833 84898.20201 59277.42412 143884.9846 52485.24445 NA NA 61679.46973 93163.28818 42715.0129 NA NA 44262.61137 24909.98497 32472.95188 61890.75678 86330.87939 28963.30931 27711.7192 51058.41271 51412.46778 27094.75488 37458.92623 35523.96741 104316.5864 24736.51519 34073.42445 58247.3233 48812.68006 47741.03732 122965.2828 38350.12042 99275.70695 33926.42044 56199.73502 20567.60065 24433.18423 69057.85677 34309.20472 39351.32392 22325.64489 53551.73507 18873.46284 34982.45217 116349.4456 27674.76332 71714.22034 18415.35378 NA 36093.09692 29688.60287 109682.5311 21214.32157 24942.89038 42032.43898 NA 65926.7654 28329.82576 NA NA 97481.99435 NA NA 65696.33528 92460.60235 40745.20182 38381.80868 26102.09525 28573.43083 43985.13173 NA 47369.25984 NA 128270.1978 52018.27068 39472.01945 66447.91523 35755.03856 28997.18191 20412.60542 22419.78357 77330.82945 56495.00742 32408.39439 85971.74492 NA 129141.9777 NA 29334.74522 86712.05117 27885.74709 40848.55884 87762.39733 45342.8784 51451.2528 NA NA 23551.48104 87946.30472 26685.46617 55179.78129 50245.19213 109217.0119 NA 72993.12748 38012.12051 35142.14384 52871.65794 79232.13949 28160.56721 29191.85743 82019.42129 30419.87019 107556.9594 42869.05737 NA NA 84600.81465 30264.63668 90463.41279 28875.50417 34112.19155 110047.8486 56398.90121 13967.93974 50519.33533 28133.55499 Adrenic Acid NA NA NA NA NA NA 25489.81037 22005.25331 21076.62093 19482.53246 18970.0738 18034.89861 20251.97978 23415.6334 23003.04037 21172.12213 21990.6191 26023.09375 28542.35075 21033.02849 20936.81038 22202.33589 22606.78189 18049.64723 14224.62601 47491.76457 26211.72763 8915.870496 20523.28587 27746.23198 17294.04776 56941.57262 15304.5065 36240.58751 41522.53049 27371.69661 16336.53704 38092.37978 26435.09362 44349.57565 43237.87668 18225.84371 42914.39629 22905.99312 24773.22357 6785.102688 33230.24403 62394.64264 17735.21991 16087.37639 22054.51731 29615.98425 35238.675 16078.53393 14987.97064 49840.91815 46084.33107 19881.39074 26469.3568 20085.97395 50832.20918 26667.07862 16091.48626 56988.41231 25907.17836 7745.669761 12405.62948 20435.07494 45750.95357 15200.41632 17122.82017 25618.92244 18554.39626 41824.51318 14463.76855 32151.71183 35684.41511 26863.23531 15118.22438 20021.11534 35218.88346 24853.5335 16468.1302 27747.772 42384.78738 26043.85883 27005.30685 27534.46046 18435.85618 32487.40431 73716.52968 27916.38419 38326.34936 17325.68232 26427.23423 19968.48242 13898.54603 24154.29335 45225.17506 24739.80061 19532.55931 21945.22414 9123.348982 21144.26291 45683.60554 NA 31088.73714 19002.53568 17269.86748 13933.3125 10550.22718 30690.56532 18529.08068 31754.68839 14645.23506 16870.44338 25611.648 22028.25615 18932.94696 NA 45547.79203 7687.952369 14474.17933 17393.77955 37592.16636 21361.88125 44139.61596 17654.58957 26661.25475 26389.06315 14890.17219 28176.08382 12414.32223 48710.18447 16571.19899 14447.21825 29487.08459 34680.29181 NA 20975.61674 34137.25518 25301.51131 57790.60475 16192.15314 44827.08619 NA 85879.65096 10728.34027 13006.90762 22043.86318 19011.40588 15087.46001 33365.25337 29107.4775 31285.80386 12277.65821 6417.622046 21658.16829 28731.29579 17217.54212 50538.27411 35847.98558 69169.30677 NA 34490.00552 20440.71956 19326.87146 13340.35408 36893.39259 16956.0681 16187.43081 31853.93888 NA 30473.41088 24074.53308 11759.5039 12012.59103 31700.22106 26900.39232 25213.34073 12948.60451 14434.5539 51723.14301 25675.19717 5616.826749 21881.81814 19044.55227 2-O-ethyl PAF C-16 NA NA NA NA NA NA 442629.6271 465249.3383 470533.475 502919.443 514004.6783 482046.1291 522114.5906 523225.9612 556237.0725 529863.1805 551371.5181 600624.0205 583910.1421 638808.8307 572820.7997 529654.894 611689.1825 554274.8584 565697.638 368223.4067 555170.3403 429905.2297 1168966.533 562442.5449 913804.2614 329268.9371 445061.2579 820548.0148 233061.7648 578222.2732 253200.668 2032501.648 919044.3684 455721.0692 337502.1697 483225.4614 1545055.439 809710.7947 282971.2242 320990.4704 1314766.244 630543.2077 662805.9036 375597.4312 384473.174 718989.1244 533337.1315 447825.8507 615636.2541 503261.5026 1461338.712 954804.1052 304872.0762 211627.1677 256052.0376 403982.1671 267843.2709 232264.4923 323906.5529 242834.4072 316381.4924 454951.3772 294536.4194 353840.7201 211601.7266 616037.2394 283547.5188 841687.9079 476504.0566 389229.2529 337435.3678 491980.3166 347058.522 270106.8715 306071.1935 377830.0428 234008.4172 386721.0731 305801.4514 711909.3755 658639.3818 647503.3141 322587.6321 568665.1369 291965.1864 364532.5563 313018.4682 277661.6787 357387.1038 562493.0476 395354.7287 627877.2724 917019.9992 478443.2995 569066.2935 317576.8773 255544.2018 494191.9741 318592.1142 205718.5897 316775.4559 270998.8113 349370.9654 387093.169 237100.2627 273383.913 348083.1439 505667.6863 327997.8556 712952.1928 584081.2355 686584.307 645699.6086 354033.6811 172994.4651 272076.8775 386213.7261 204627.8893 332898.4947 471169.5241 895118.5828 358933.1286 466282.5521 312932.6411 336110.2046 248379.4319 364183.8482 729163.0903 460696.2466 338178.939 279712.8973 891040.8738 376799.7767 374409.1893 521560.1402 533811.0595 1405739.714 304406.593 577107.2431 341599.7225 319192.555 584328.7048 441137.178 224517.3402 287688.1471 328847.0674 207222.9904 417129.7272 237268.1579 414119.5785 297467.4753 438440.2097 404709.2932 551957.3927 505236.1258 251287.348 219423.7184 222928.834 241761.7427 510973.5413 287227.9321 554697.2775 384093.9279 376009.6332 524707.3529 661432.624 193574.9218 161853.3187 459912.3921 227006.5841 525749.515 227555.9046 649948.112 359718.0773 294430.9592 415011.0221 419978.3861 727177.164 392082.3542 213894.8573 661624.3809 Bis(2-ethylhexyl)phthalate 3181337.063 249910.3715 276560.3395 4371718.085 488918.6904 509044.6805 697646.1091 694290.2596 664839.1365 666899.881 685968.455 663588.6974 652415.4117 634605.8882 660881.6031 658679.1166 683923.6534 758044.2651 680450.3883 676238.9797 668637.6704 700233.4598 712500.1826 705986.2679 702183.2017 349499.3138 199874.2805 485397.0728 123452.8006 255050.2764 512248.1223 508457.1405 414606.1753 253161.4845 346266.1524 149460.83 484048.9491 255835.6348 1110052.496 282959.9731 332131.3543 790650.2835 167987.5929 174392.2747 319248.9568 1500253.905 151767.1735 380151.8585 1108910.723 654250.7385 364963.2178 201691.4357 312701.0709 11068828.76 211368.4079 337348.2321 322802.7694 614301.7677 184992.8662 660024.1173 317064.3627 230910.5199 860591.4444 314650.2358 337080.0711 639243.3152 151437.6414 258837.7488 384812.2593 839731.5892 562608.0358 240474.4786 393980.9615 196708.6694 638550.4235 344069.0986 387006.5202 240692.5595 1491605.573 351094.0475 1616241.09 192831.3877 634451.8018 222147.4883 487537.3401 199714.8009 1543438.478 593307.6883 614594.5435 160690.2091 377878.0839 225107.4125 355292.5259 677140.5856 434374.5113 155800.8843 630427.3805 393236.7315 304513.4241 3596057.71 209629.0122 390653.4453 718416.5177 168766.7496 321090.1155 634981.009 396737.18 629180.5227 161049.1206 165260.4794 853065.6657 359412.1186 609673.6698 245967.1662 273651.4706 1116812.135 335461.4104 163299.5865 174809.8004 599592.1934 439528.815 959624.0334 762556.1935 458047.9384 437619.2404 819881.2829 280659.0193 937821.4546 215199.2631 489826.7247 4485768.483 448483.9504 228812.9047 480704.6588 223283.416 3292742.563 458243.0452 174001.1279 556575.2875 448998.7902 189568.3068 691389.2859 369547.5031 839588.3554 354941.4424 2079953.75 517183.4822 207100.4326 202080.7903 462797.2347 887510.2108 981683.606 430476.4759 277511.3637 443924.7437 202317.9309 724280.5413 1364611.372 400497.1425 164969.832 256885.81 2296481.108 410763.2666 571321.4947 430426.9666 193156.8375 683983.5073 266521.9402 526320.9438 1501101.614 186260.2681 395811.4299 509008.0971 469733.8886 199684.1643 466040.3716 203390.1245 412423.1694 193434.4058 319008.8008 482506.8547 3353630.43 407305.3667 200301.4385 2433996.141 436636.2537 187704.8747 25-Hydroxycholesterol NA NA NA NA NA NA 228359.9659 244034.4446 235104.5804 218504.2051 205581.3824 219297.4218 201180.32 187964.8604 206380.4615 209974.4679 216371.6309 225034.3767 201608.0287 204529.9978 193891.1276 185624.2464 195972.5773 185515.1646 175522.896 31410.46998 526329.0784 215817.2961 239343.9978 16737.69953 287695.0703 29920.78129 263827.2237 289151.5846 30633.12573 215532.0882 241455.7794 313455.0917 289696.6353 37385.69324 14017.7318 236097.8314 182550.2032 192893.3666 8332.334391 185954.7429 227130.1644 21126.43729 414344.4811 430920.7296 20417.16179 307931.0138 26525.74944 280273.3683 311118.6719 18671.69547 292850.6768 349062.7524 400895.7942 342338.0398 19006.95095 249334.9975 268218.1709 21565.30108 12428.41305 281530.7724 349276.7065 257187.9085 9836.29855 274221.7032 212613.2519 186684.2813 NA 261806.4856 352110.9221 NA 17038.07853 163187.8733 NA 19239.67505 228793.6612 219770.8655 257123.4592 545972.2858 NA 236584.6117 233402.0215 17629.78205 324789.7537 482891.6143 22707.42544 348775.5928 29323.93882 NA 9023.552024 516828.8765 361662.7503 26175.00151 319078.9551 239704.6902 506720.9017 27833.18993 395136.5401 290285.3043 23827.85228 379235.9412 NA 328854.5772 395005.3739 285516.5321 277468.544 27277.81845 305505.4874 299059.5399 27586.03996 372699.0908 NA 253263.1958 226166.5059 246444.8116 NA 200092.2072 334615.4041 NA NA 273612.8107 114763.6326 307683.0016 209754.7696 NA 285310.9158 NA 425222.9225 NA 272029.9981 225814.3192 19918.9934 231021.8237 198906.935 479212.8245 476241.6208 26144.00118 90089.28512 347367.6309 NA 450156.2718 NA 454668.5279 498870.2191 11152.31542 281991.7618 298915.7785 NA 288419.3196 24562.45031 261111.7893 225310.8028 320251.2194 NA 365773.1667 221853.3039 218859.4902 NA 290922.024 NA 116916.4607 214767.98 168475.4345 NA 307141.8713 321335.2619 NA 206034.9671 NA 184468.3919 179820.7419 212789.2587 NA 155247.1181 NA 225738.0675 287505.2674 NA 175562.4494 259181.7077 NA 178852.1672 Desmosterol 42481.48791 NA NA 63141.20589 NA NA 2352276.866 2386233.63 2340804.476 2358408.66 2387080.634 2242138.648 2246778.368 2193380.921 2116028.601 2147112.689 2248300.41 2470861.256 2262842.804 2222927.191 2252096.253 2143643.141 2203077.59 2095932.297 2045048.562 31116.24065 4130687.977 2919364.277 1952183.154 14514.46062 3175266.77 28265.45625 3135000.894 2787445.774 25211.39699 1883888.608 2871606.763 2842753.183 3953989.735 59529.57001 18065.24101 2968260.748 1730839.387 1530754.177 19236.32808 2338085.89 2313060.931 51955.99137 4909616.643 5186218.129 25173.21119 2788760.592 24911.45607 3347734.771 2567224.139 35769.02322 2771989.6 4495784.273 3597986.328 4111407.86 6201.004564 2210090.715 3182434.565 27220.80214 17382.01198 3409741.797 3256045.58 2962821.613 11470.95435 3643664.782 2441807.675 1546920.982 24253.26506 2285777.03 4764755.034 28515.043 20275.41536 1526121.067 2399735.483 32959.74114 2808458.672 1735568.877 3215442.137 4990838.633 26415.05999 2029288.816 2412304.047 18542.42931 3869399.892 4141231.218 47855.93623 2771947.555 20060.21354 2858913.434 37862.0559 3978793.199 3877717.453 40719.22736 2807607.528 2535897.719 4353265.027 25107.34415 4493384.414 2814332.907 34201.2298 4316355.192 37805.7138 4039802.399 3557916.308 2829306.487 3202295.759 24417.47045 3841073.548 2405058.719 21439.025 4070085.892 37561.6641 2398106.717 2241393.327 2822390.923 28988.69352 2231491.823 2633488.708 11544.0685 29385.37522 3366386.063 1090922.982 3401807.102 1850090.09 29292.31952 3394583.087 26295.50738 3448321.198 46878.32131 2518484.368 2915951.516 43822.05372 1834475.376 2244451.724 4645552.764 3931872.956 47055.42342 695389.6734 3807043.866 54211.62983 5242753.424 48711.44562 4837480.002 4302492.248 41927.81611 3474440.829 3165889.233 33573.90636 2417481.597 22714.63395 2208317.499 2537623.89 3459037.642 34276.83281 2856678.977 1749598.574 2402531.9 46011.77216 3266965.271 31823.9472 1203480.385 2519247.688 1575484.505 33590.87148 3025697.005 2426010.594 16092.29322 2303292.908 19391.57187 1625110.356 1835607.859 1731436.519 27721.97194 1267795.427 19890.33792 2469428.862 3380905.764 38560.8584 1402615.065 2600767.468 46264.63858 1318519.741 PAF C-18 / LysoPC(20:0) NA NA NA NA NA NA 198243.2963 159048.4271 173817.3965 162489.6093 194766.6458 163772.4138 167145.048 171063.0655 201739.184 195134.6151 206008.4737 227434.9203 210915.3218 221100.5168 195831.9535 217347.3515 227724.0232 222747.1942 204078.3341 158516.9201 173347.2818 131075.3981 330898.0899 339146.9578 216181.4452 164935.7297 99566.37875 270266.0768 181995.2805 236819.9536 101255.9077 359414.0747 161020.7548 200534.4418 211197.0044 135165.8332 446749.8387 213554.4265 117361.3129 81043.69488 218699.6987 278214.3287 126506.4451 115635.5175 207902.0572 291073.0554 209586.0969 118349.003 167743.3785 202462.5322 314068.9685 177215.4085 116423.3426 54978.81294 68138.95735 208466.1767 119913.4947 166496.632 128649.7148 74790.8134 93311.65764 161238.1253 110764.3174 123746.5427 58031.77329 227827.4363 150015.9669 1174499.168 573962.7249 916619.827 228110.0572 236919.9778 110319.1661 168073.8348 92561.31537 146113.3812 122758.2894 288848.6917 281580.8507 347787.4227 232565.4104 409169.9475 71202.08257 127863.4983 120416.5958 220923.3818 209876.5596 125953.8868 245623.5756 202401.3082 122615.1698 343392.5174 391143.5628 179394.9075 219255.7176 170064.0854 88589.64522 176090.2282 168992.6542 74746.98488 114161.3638 54655.55841 110550.5317 112443.466 80551.23437 174952.5982 159389.3477 286673.2967 183858.3484 200413.3398 305529.9834 242023.3735 241255.881 99682.45172 165607.6463 78665.66462 138617.3455 161193.4993 304580.8151 178891.89 510829.8032 143555.8451 187366.6633 131886.0388 100717.2752 117637.2624 181817.4166 294537.673 176367.8442 133160.8796 241414.4328 301961.5627 128894.8361 108586.5945 194007.9006 201218.2124 613988.6063 98990.55068 226818.4017 70934.23987 275644.4374 125753.6198 155390.2766 150529.8777 113706.7071 103227.6202 111529.9516 218132.4895 141988.0668 142305.665 71940.23789 169775.673 254352.1927 219697.3108 244232.8184 78074.12597 133194.29 64967.0323 160809.3752 214905.3786 104705.0769 260896.3569 190152.7025 122674.991 170937.1788 260931.8226 87221.76294 167944.3362 212431.2055 66347.23577 109968.4463 111815.0435 259623.2239 247948.3324 117470.3781 114707.3114 197156.2216 224501.4574 159995.4553 229476.0554 241263.6875 Bilirubin NA NA NA NA NA NA 13232.80149 13838.97339 15960.32018 18431.48379 15875.64464 14621.28323 16050.90518 10758.55334 12394.42801 8623.220594 14300.84202 13399.75218 9411.701412 8217.932061 10984.16446 9215.875302 8414.447797 9209.872681 5465.200526 13635.73991 11499.57437 9062.975522 NA 9693.433549 NA 17389.17526 14919.43956 NA 9132.293804 8912.493862 11921.69836 9860.179613 11839.54488 16339.16687 10270.47469 7954.094396 9087.113787 10595.06069 9015.505718 8767.806862 10641.71918 9832.946797 8162.096115 9736.96354 7190.277067 11126.03403 13325.80497 NA 13886.17866 14884.11625 7247.929919 NA 3942.740597 8708.394546 14358.84974 13024.48702 7746.328903 12589.99485 17033.84299 9052.592396 8451.457967 8826.868955 12994.68045 9326.737923 9227.561776 10143.80501 8012.997258 6546.948453 6502.63412 14199.58552 9441.612044 9956.120949 NA 9169.36966 6535.156089 9263.191196 8337.272856 NA 9394.284716 4506.822046 8324.050281 9703.62619 7978.488744 10431.97394 10737.95791 8015.028223 15043.47295 10005.64962 11757.71222 6958.660146 8544.838026 6126.915696 7697.656186 10605.16766 7798.249673 13392.94293 9145.604279 6348.21646 10047.98189 9242.362141 9360.312523 9766.838456 NA 4645.93787 10201.26818 5489.005866 5411.867955 6946.349919 7746.684876 9666.299683 10113.55952 7547.177722 5187.20803 8430.305514 7941.065976 6225.35677 6213.292198 13135.95648 7487.292518 8338.105329 6087.716404 7754.843189 10913.63787 9507.440528 8210.112935 10134.36638 10448.03891 15732.46142 9616.76788 10545.60495 9149.683812 4754.828515 5137.697523 7844.320787 5389.517848 14175.80551 8030.529785 6113.032749 7501.541606 6994.341054 11687.91214 NA 8744.058465 6290.937279 8770.148549 8392.961606 8648.688446 NA 6466.838404 9353.800624 7181.138384 5381.912171 10422.93757 7544.026758 12053.37785 9913.840114 6965.384266 8485.0956 12787.48536 5204.91995 7264.48502 5318.283006 13417.57315 7937.719731 8093.928616 12242.39173 9229.662045 9742.655733 7372.940697 5830.399863 6965.427741 10930.08782 6078.56631 14097.48375 8161.397232 7955.708546 6046.073004 10033.83174 5008.351206 8043.251181 8822.936736 Alpha-Tocotrienol NA NA NA NA NA NA 335934.7877 346401.4259 301799.6159 297412.8365 309006.5504 303524.4743 307500.8806 254553.8484 285572.2594 279272.2154 285204.8613 353690.5229 264540.5274 276033.2667 244677.9473 258192.0549 238419.2142 276107.7003 225372.7471 NA 349080.3021 247605.1266 323644.4157 NA 404126.8291 NA 390166.6798 335981.0467 NA 363835.3859 400279.5658 318181.7301 361746.151 NA NA 606730.6405 443952.3444 237975.0595 NA 396339.665 410958.6816 NA 346265.9605 458512.7838 NA 408107.7149 NA 566136.8773 572263.11 14851.16943 340000.3002 384722.9377 321428.4574 293790.2844 NA 306855.5049 233927.9297 NA 8360.779787 253167.6178 339834.313 265705.3252 NA 209291.8456 474677.0918 451991.109 NA 291534.5537 248416.7436 NA NA 287355.6615 291517.2196 20471.13039 NA 246017.2276 161148.406 204561.3371 NA 230365.9064 188922.4833 42921.58811 198126.7876 232150.3133 NA 446579.7531 21810.53042 315586.2791 36901.80704 195686.5746 198920.8913 NA 317180.3585 235270.7488 196318.9133 NA 216612.1467 407481.1476 NA 472141.3973 NA 240660.7366 410220.4489 257923.1748 253624.4808 NA 343506.421 366250.7621 NA 361775.5945 45460.57424 451134.8106 310598.4342 395580.0374 35994.72447 345693.0822 472847.9386 NA 25230.75915 243751.5356 166225.4566 335004.5617 389794.9456 42111.77276 351165.9398 NA 365557.8071 NA 350366.8702 295251.8076 36984.73192 225270.7072 301274.2524 274942.2611 288767.3379 NA 125986.8547 274881.4329 NA 411287.8429 59482.65365 378039.8117 336877.3737 NA 237329.2623 269867.6341 NA 170229.5855 NA 297976.923 266106.0803 181031.3177 NA 184352.0159 270927.6199 207065.7435 38847.86194 349316.3448 16992.84179 161647.0686 226579.2375 198933.8398 NA 179741.7973 186726.2826 NA 339115.8947 21213.79066 285034.0242 427048.5546 293170.1159 NA 312676.4812 NA 379312.6788 268552.3207 NA 200564.2373 212542.8557 20422.1938 265115.5303 LysoPC(22:0) NA NA NA NA NA NA 39034.70973 46353.43993 70017.52944 40493.30178 40140.03033 42267.81198 55348.20793 52766.0459 63495.63617 50871.13195 50421.98372 52334.57741 63438.00758 61879.20344 51699.76448 69253.57543 74407.03996 52927.29996 47777.25482 40948.19963 54102.36376 38679.6306 64339.28089 65896.35783 43967.13175 34687.06724 39278.83383 47745.31612 39343.19647 44630.82565 44912.3549 73806.12453 50374.46706 67147.48877 50723.39919 51008.60405 73701.65073 48578.18216 46853.55694 41365.24728 75922.72376 68301.15102 55680.3361 42764.38984 51494.02173 54469.74259 48858.53213 34558.8955 57175.30145 46678.50011 43836.60233 33674.8697 29635.49103 26045.59929 37868.64682 55874.37237 37859.80385 37564.43376 51939.39681 33070.11727 43968.40025 54481.6398 26398.74501 30091.22901 36014.65693 66934.79429 45187.43679 325591.3194 158405.6533 272556.1144 119388.3979 66854.50079 31304.75206 69640.77472 63906.41087 39372.52903 30208.20126 51959.37276 52179.20753 57462.00516 45708.10728 80518.26978 37201.83409 31870.22565 29975.58044 58918.90189 72639.44397 27894.79816 48399.84852 42643.17503 34871.25631 62667.95776 73143.9832 52814.47464 44651.12695 29366.04667 36419.61455 40445.95627 39021.01251 46474.97503 35887.41661 30167.75479 42926.9282 44147.35289 35307.01531 39940.07874 34395.26085 53509.52033 34484.17552 50268.82602 39936.33857 55171.3999 39710.44287 44667.60102 26780.07844 36646.62744 67739.48972 47600.41069 55294.09335 51875.6219 68123.605 39391.79841 72713.85405 46337.60222 50675.58488 40020.09501 52125.23864 65472.62831 56542.48385 49420.26227 36170.30296 44024.24546 55855.89669 40379.29407 48627.63004 37604.47405 63242.89814 38055.08106 46603.14992 37399.9033 55055.37492 61222.43712 38557.94771 48367.19929 31482.2898 43623.93167 42225.05565 41601.4876 37298.84336 44156.21164 48731.48344 46085.34259 53515.79059 33109.90184 51779.8239 38726.6115 36965.47869 45239.61208 54638.19987 45254.40189 36239.3773 42915.40387 43951.75498 26890.85129 44006.72929 44911.42877 57132.40162 39465.15691 60930.41736 40728.98971 38056.12377 24732.77963 60953.58732 75964.94311 50743.09067 47262.66983 63714.30508 42167.99263 30847.8907 36159.62159 42253.70725 Erucate 73536.41845 17988.98677 14930.19891 95372.41795 105385.9683 96982.83578 45224.58553 50125.69274 40673.97722 45578.45773 47223.92281 45392.57051 46392.57961 39511.31836 38302.99501 43599.91009 44508.15865 45395.55516 43454.69162 46801.29905 43032.57446 39061.5657 43726.21733 43465.68486 41428.63893 85295.65308 51828.72038 44069.64078 26009.42246 76658.98479 41706.29542 86094.88147 54696.01132 37646.0349 88111.11551 32248.19612 47000.15813 22723.8362 34517.50587 81779.80751 77804.7436 45434.60961 31880.99197 41971.14396 81401.73602 57191.78584 30459.40481 79325.42697 45007.29727 48362.96846 106418.5483 38876.71202 94298.99699 41410.4371 38783.35765 88591.00421 26304.6568 37649.77205 45710.41375 52432.42985 100645.8246 50784.42774 51329.8846 96766.36551 90248.25729 41315.21985 39917.53199 37324.73166 90282.20073 52482.52649 61219.05612 38501.83949 101475.0394 21632.16118 36835.80332 81920.74639 84189.47035 38136.71263 45748.62799 79303.20229 42429.37107 39648.22808 41809.98216 31635.69309 96494.66096 43583.05481 42975.4807 69289.72347 38769.75404 34962.12425 81578.14424 42843.93131 78621.07277 42751.20613 75520.3047 31330.25895 45913.0577 98805.76357 44517.00024 53249.1783 39608.03911 89129.32451 43218.4743 25923.5445 92021.77512 46068.12292 87452.64581 43402.89079 32302.29027 27812.23533 50860.15537 84156.19826 54026.29222 29657.4506 84392.33817 45658.17934 88729.77401 41651.05622 21979.10373 30515.02609 86277.04148 65292.66854 47175.26695 112342.4752 99833.56743 58211.60655 37888.64415 47976.48834 44445.99194 111135.4914 67142.2384 114857.0309 46872.32001 112957.0505 53665.3616 63442.43334 92471.4743 37850.36993 42986.02034 38367.80075 30966.65168 105528.9436 39267.73533 55315.48179 90568.10536 38242.90928 83207.00443 28767.41703 41147.76931 88170.51212 43699.8466 49892.44339 87537.96295 34225.09108 86445.61538 35349.43749 46794.16481 39298.12017 73426.25291 26191.77384 58082.03368 61805.78026 85036.9432 32407.54566 88479.11735 24170.86492 62078.02597 47893.5098 80390.95467 55672.17484 46938.73573 89593.09427 43952.16896 88140.61998 32485.037 40339.60755 22434.42905 76836.76454 35352.60884 83718.05921 49527.28707 45273.31207 90150.88138 32140.08559 37775.57098 92413.18315 32501.54726 Cholesterol 41021.79504 14187.48342 10230.83155 61941.16912 37417.67822 26652.13054 10637145.8 10853622.06 10009905.67 10063777.74 10353834.45 9984295.476 10094780.26 9284096.284 9283720.84 9758686.778 9638606.849 10767227.43 9863450.554 9777753.64 9626853.842 9452294.541 9837228.754 9904208.705 9834531.722 11033569.72 11689310.94 10714118.63 8650921.484 11440207.62 10617207.23 11904054.99 9179667.582 13402678.31 12856108.46 11327538.96 11406507.42 8977811.284 10748764.11 13975218.15 13181595.3 9894739.09 10616007.58 11314480.6 11985837.63 11271164.35 10341181.79 14724526.01 13032771.19 11535512.61 12470553.81 14491309.28 13685610.96 7981689.453 6898941.95 14206786.39 10598765.25 11939567.24 10498321.22 12098650.67 13042264.2 9988369.262 10578699.11 12102860.24 13908638.89 10760363.84 10036195.51 11694637.13 10957195.23 12392830.29 10733587.93 12547880.28 14127068.86 10687242.17 8984091.017 15892020 15160724.76 10792083.7 10845477.28 14257595.73 11440850.2 12325778.93 10116237.38 13532413.92 15425302.31 14787788.52 11354005.19 13773684.27 11619775.15 12225246.12 12771675.66 12500925.88 13321468.72 12611540.46 14275763.49 11557042.23 10849063.61 13014452.24 16212106.13 12599151.8 13891942.82 10757004.75 11545004.89 8550090.278 12373194.42 8788487.133 12719294.64 10312114.97 12447910.29 10641529.96 11913314.64 10294481.31 10504545.49 9340634.213 10186464.95 12604947.61 14091591.83 13535071.78 10124362.48 8467532.771 14036018.91 11409474.86 10645786.77 10295437.88 12584608.93 11476126.88 11076035.46 10782843.98 10807758.5 14076022 11860192.33 10044875.91 11045340.99 12357965.53 9537763.391 10323270.82 12757208.98 10627857.64 9003681.953 8679265.979 10233519.18 10871983.04 10708816.85 10234940.55 13128378.82 8452829.444 15194581.38 8456745.662 11276342.84 11151920.9 10621645.47 11875051.19 11838169.04 11674470.95 12924757.03 9485873.817 9489158.942 10913413.23 13038105.21 8513674.548 12392878.69 9190305.092 10919857.77 6884967.841 12757525.25 7451858.218 10534356.04 9754193.924 10300648.1 9280136.919 9627879.246 10337028.27 7155956.374 10132439.19 8795663.538 5794085.536 5594679.045 11143458.48 8566783.771 10219379.21 7528320.543 10717731.01 11645427.43 8045107.395 7605797.455 12929341.05 9534041.683 LysoPC(24:0) NA NA NA NA NA NA 114184.8158 115752.2061 105842.4236 112523.4385 108522.2824 109506.6782 105311.9854 109846.0913 104036.1653 111742.5089 109366.6123 126181.6335 135574.8886 100677.5696 98729.16164 110521.6573 114092.2961 107101.6718 109506.8541 115708.3914 80330.03867 88874.1882 89126.49801 138889.7238 82352.93438 102450.0399 80419.1889 104265.5963 109904.1523 98674.48786 78253.8 85013.23525 67277.99297 175483.2757 134585.7116 100592.2102 128671.4401 94196.23545 94328.1014 96921.46663 114607.942 170899.668 95198.388 65769.35854 101201.2283 124582.3161 138459.1457 75809.33162 75232.61231 148161.1747 68086.12702 88965.0496 159449.363 77901.73566 96555.32496 139729.6228 104600.2192 102888.4144 97320.28363 68857.78835 152920.1298 86223.33922 74174.41678 111219.1859 90104.99554 131679.9794 99202.25666 297316.1755 145449.1664 486805.2284 135038.2359 91553.40098 63117.65591 183375.6151 72524.07572 124512.995 82034.89509 123528.5144 187428.263 191647.1181 80156.16315 424363.9762 81344.75534 85220.21191 70961.05265 306805.811 193665.0676 129458.2913 220367.5492 92306.88715 71206.61807 150467.1304 111158.9612 75797.28901 124862.4367 96952.83792 80487.91521 70319.08956 98354.88783 64311.46419 81885.382 52964.93422 94999.9316 80784.1576 74953.57164 89179.25166 76289.43498 81329.34249 104700.1193 50416.60556 126578.4351 129172.6374 83044.26868 75782.74193 111787.5417 154665.2933 214668.2275 87626.72084 133279.0256 122271.975 138317.9695 103387.4077 122275.461 92909.46001 132692.5472 91155.56955 134143.453 142647.9527 113793.322 125891.7201 217526.94 88226.06382 113714.8754 60782.89903 75113.09456 92163.10263 108631.9086 74416.4194 156053.335 63112.77957 820720.3183 81392.08147 157478.1445 98092.95284 86012.71511 87667.51254 121121.0446 79321.82474 118929.2083 176449.7597 94071.78255 73701.59527 158036.7914 72979.33137 147904.504 81487.59373 89840.91111 63219.56648 165157.9644 131654.3428 97661.0172 148047.4484 101539.7705 93133.08171 117274.3589 135144.2272 76288.72669 128158.0651 100370.695 78877.41475 60510.39916 94812.93994 98601.50025 154095.6721 62028.16782 91941.71278 147443.0228 107800.7845 71583.9027 156100.2956 164272.2907 Ceramide d18:1/16:0 NA NA NA NA NA NA 90686.37677 90713.96018 82966.35973 82236.3775 98644.76403 95420.806 95530.23681 94454.88028 87233.30917 100990.9499 93463.86367 108804.1955 83097.01613 97056.54564 95607.60042 95655.33261 86009.72692 91009.86795 92921.40637 221536.3927 114383.4698 78964.14773 38501.18261 101974.0732 42062.6736 151349.6105 51674.34956 105001.86 246939.8229 84782.08827 74170.8147 39127.28728 38163.31413 158522.6724 131194.129 31042.93482 53307.94298 109988.1454 158116.3105 65468.90843 37339.92676 124689.1071 47435.88222 85137.82295 433944.4272 187402.0309 240426.2327 47608.02511 41981.01734 233563.0268 90355.04898 56960.99056 93604.81107 57373.94327 231386.0993 205867.551 144275.5091 512495.0617 330634.101 66444.74123 113504.5065 150039.6824 264241.9094 94106.8138 63874.87643 108003.0228 237820.0286 145984.2283 75846.2029 529862.8815 311702.9696 114877.2737 82006.31884 224604.5183 71286.35168 105567.6052 67173.5553 110320.6487 266329.8595 67217.27576 57089.52869 158153.9804 50439.61697 77410.91657 161305.4918 116868.4981 255972.1331 74849.20024 194479.4319 61206.42282 32304.5055 253015.1847 146686.5606 76147.06136 101151.6902 194140.9587 50140.76159 67258.45944 205134.8438 43781.68852 212310.4674 57808.04305 80039.58588 115759.6694 93161.48813 309766.9685 72532.61853 94246.67348 241071.52 50224.06332 239711.1036 69147.72967 28388.80139 24277.8246 113599.2579 73179.87628 99595.00019 195571.8411 451738.5691 114510.7699 168865.4361 80569.37875 103910.0255 219087.7176 60857.40678 203046.8513 92813.11376 288390.1243 125219.7229 58823.76656 160161.0206 57025.03771 45726.77149 71213.54393 92771.65172 194432.7765 153337.4222 68663.89288 271887.1208 41289.51183 108541.5859 57819.84665 71248.86304 184822.258 57940.96679 90924.20906 224939.53 125302.3557 170130.8112 82887.62495 63639.78319 65949.13163 252280.748 74814.7908 75103.39621 58180.05448 100030.4045 31422.10317 196696.9969 98982.97542 91854.64019 210974.5902 356543.1972 75343.79152 109488.3278 321120.8744 27257.24629 117169.7511 42723.63838 31192.62449 34819.82852 131806.4182 92194.44361 234436.1579 60648.15629 61178.15913 218940.422 67578.37551 37451.44308 222807.7596 71035.88371 18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine) NA NA NA NA NA NA 1036051.103 1121376.476 1119783.843 1201902.658 1153750.711 1185441.692 1204925.818 1147399.327 1276247.818 1246884.757 1295851.516 1244760.125 1239847.625 1189810.115 1238767.905 1338253.966 1331998.386 1304891.602 1355687.007 1482378.345 1891891.317 1882503.448 381674.2055 2494414.886 324005.9334 1709761.2 578002.0928 3449956.702 1357237.494 1256780.534 574493.32 573420.6296 365375.6182 1716823.463 1035948.021 267982.6258 423988.4013 2602284.179 1437804.927 931153.4124 440711.6063 1473588.617 1467417.333 366114.2644 1128688.642 1965225.205 1395282.119 401967.2766 259935.2025 2741900.238 434994.2472 272380.8071 1808661.029 1096598.657 2217607.9 1725566.365 1034678.247 1341924.555 1850078.296 1090173.049 1932757.406 1375432.664 769948.2523 1434305.961 377862.8599 1010525.778 1715378.284 298908.7104 112704.2967 2527093.234 2204826.336 1350246.263 892464.0467 2477441.895 1243387.964 3075563.818 1414317.806 2744571.911 2336053.076 3480851.994 1545662.798 3921924.654 1453120.397 2274093.221 2129803.809 3303599.225 1813996.85 2178284.983 3131240.285 2549357.484 1110604.809 1477587.445 2939998.705 2264967.84 3122729.672 956888.5662 1184842.567 574142.55 1271581.363 428709.445 2176882.402 939258.4188 1203150.688 1391352.421 1568431.479 1702098.704 303797.1535 435833.2967 1753348.045 1074698.858 2360899.594 2208078.481 645123.9254 426554.1769 2978686.79 2705529.212 3797957.406 1893334.532 1292515.468 1146245.252 991582.3405 502881.6488 754943.1843 3240550.358 1447385.212 1151947.108 1909813.766 2155649.66 2449505.834 2138833 2939786.138 1282828.845 330018.5171 766714.9371 1638802.104 1678832.031 1020948.122 976408.3149 2114277.062 921763.4681 4120116.708 1885533.873 3276722.772 2127281.113 2423179.859 1703676.611 2425059.306 2573087.77 4532512.563 3100601.321 1854995.161 1240115.751 1663298.009 731690.3572 2819702.783 804979.1108 1648890.214 998707.4854 3151391.542 1077237.231 2620622.919 1551260.991 943908.9588 1375540.898 2107779.394 1953220.775 383842.9466 1576782.693 941428.7879 494599.8867 658073.8273 2044502.818 1059752.272 1538750.273 396503.5798 1549259.998 1348976.783 746009.2052 220321.7016 2969373.775 753174.7964 C16 Sphingomyelin (d18:1/16:0) 158696.262 19259.06567 NA 283649.8352 44244.74531 NA 18293828.73 18760488.38 18834582.39 18774069.02 20193648.53 19704704.88 19999149.49 18583244.4 18949791 19038672.63 20248550.09 21862943.52 20289618.11 20210289.64 20699263.35 20865463.97 20374057.16 21257178.46 20334987.49 22868456.24 15425872.65 25830637.52 20418285.7 21974787.76 24207565.27 22553667.53 26645155.5 13350795.87 19885509.91 13855797.01 17964765.76 13117134.15 13981554.21 18333358.73 22157473.09 22438968.15 13306130.52 18775377.02 18500048.24 19510832.53 11268280.86 18713714.85 17252529.4 15775222.42 17988287.61 15044555 16833321.75 18830352.17 16744152.36 11762074.6 9889744.074 8335388.855 12579460 13550793.57 13624720.2 15408492.13 18618313.17 13374159.18 12707428.34 15066433.83 15376786.89 14058426.78 16379622.51 16012193.85 19437008.86 14231942.64 15722059.96 14286082.27 17167112.52 17305255.83 19367141.15 18142020 18049716.81 15100410.27 13543430.91 10882317.62 15039493.73 12655090.17 14967880.66 11797573.73 14884596.66 12174203.88 15239970.41 15780980.07 14557664.56 17649341.29 13501445.54 17699272.46 12206876.47 11727429.64 15042211.84 19860020.52 13579858.11 11921076.8 13714405.71 18214098.36 15250301.83 10508548.45 15394692.97 14210731.48 14167127.47 13404952.2 13086555.74 12972374.42 14427317.23 16966188.06 18714702.69 14725665.91 16260090.11 12651133.09 13698221.14 11550289.09 8810644.884 16391723.4 13766963.85 22168274.11 20745304.65 17535159.65 22637107.11 23689739.47 20070304.71 21141455.52 17866134.29 20815589.5 26618678.53 19341462.42 23689061.79 14520667.55 17197426.93 21422309.57 20054615.68 16476657.05 19950575.13 18405277.7 13189248.81 17787188.36 15922326 19317880.31 17806090.48 18476293.77 8010403.647 18069374.88 18764140.73 21022468.74 18937953.48 19710045.06 17492896.8 15731527.65 15697265.62 16521100.88 19814981.19 17200151.03 15059897.57 14632556.34 18992945.27 23964402.79 21670760.84 21484804.09 17575772.29 17900617.43 17953047.71 20481286.48 21905847.54 20540097.29 24219167.86 19913550.76 26152140.53 20657628.48 19516612.29 25994879.32 23779230.15 17754173.26 19663564.93 18994210.57 20324580.19 22136847.56 20296783.51 19692032.3 21492781.86 17940407.07 19102106.19 Ceramide d18:1/18:1 (9z) NA NA NA NA NA NA 9373.546212 7832.464724 8531.839738 8021.067435 10252.76318 8253.500515 6953.374774 6686.908251 7350.016152 10341.56041 9067.400147 11345.13651 7051.219639 9835.399201 10313.80266 8400.809817 11828.34204 10830.90516 8363.908219 13521.61813 14590.72707 16346.21148 5457.451728 3756.506626 9843.583222 NA 8151.236293 17376.20654 4162.436837 9015.93016 9208.367069 11373.00633 12386.79868 12421.95314 6154.910876 6090.883029 7565.849741 15590.09342 8205.464553 12616.2248 9612.443478 10449.55333 14267.93004 10859.28208 NA 24413.23762 9300.685442 7744.270012 6945.165035 16344.30268 14084.91914 22950.31488 10426.80218 13725.24877 10431.91208 8303.606634 11248.00227 12317.86288 7865.7735 9204.171274 5448.355053 14316.22719 7868.755625 12914.75075 8749.405417 11710.31577 9944.447516 5536.81093 4296.363766 NA 9928.390669 8212.611995 11367.40787 13112.01914 32022.627 21022.85492 15891.73776 24151.39191 16055.08424 16801.54307 17275.32555 NA 19113.32206 20081.67559 14797.58153 10549.11112 9375.111503 9416.787001 13875.06026 11226.01979 12765.27516 11751.90249 21104.99883 21600.35461 27213.84253 10290.57445 20097.31215 9334.534551 7819.950797 9586.653561 10999.45056 9296.28701 11494.8295 13227.6839 14609.74162 NA 10959.38777 5889.853928 NA 12584.1731 10067.93984 11251.35364 7580.66874 8092.315695 8795.67909 11275.64926 11759.41379 NA NA 12004.9888 7457.911902 12263.43801 10233.08595 9311.755015 10106.43827 NA 6403.26986 12143.9365 6312.046875 7779.058619 10870.69482 13091.51819 9491.756758 16019.44153 21376.99854 6525.16649 10834.22217 11669.85138 NA 9358.274351 15739.51758 8590.452777 14208.85001 8189.388666 14239.48064 17927.10187 10394.17783 17717.22336 9057.719236 9477.340533 8647.055816 13477.5755 10761.61578 7198.715442 15673.27255 18269.68434 12575.35042 10964.58177 8444.161584 6604.014532 14590.86597 12518.65225 NA 11381.64797 10538.49659 11814.34464 5883.065786 7643.087596 8558.856687 8580.864297 10694.26992 10284.9448 7384.610203 NA 6780.775944 13159.1691 9034.094342 5794.054023 5298.002245 10768.526 7258.164941 LysoPC(26:0) NA NA NA NA NA NA 20999.0181 19836.61753 19412.63025 17961.47961 21893.0611 21374.3929 21894.13244 17958.17792 18057.02959 22449.30388 19850.27928 21453.68291 20700.12188 20469.21446 19102.26748 16875.31942 17950.90267 21506.6316 18459.78886 10629.98484 16152.6644 NA 26975.7903 18309.25795 12975.28771 19524.41769 9436.328217 16302.6917 20724.72938 16735.03767 7235.878884 18256.0494 NA 30147.1027 18116.34888 NA 18061.0988 13624.52435 12263.69827 NA 16613.49749 19743.36074 10475.943 NA 29889.12442 18976.59714 12672.56028 7350.78259 16777.17744 37019.81857 13566.49717 NA 11884.46826 NA 25987.82647 16886.91831 8661.480525 16508.89841 29351.9494 NA 16494.85205 7580.468156 15413.90917 NA 5275.999673 12064.43224 21915.77768 38810.40394 NA 27970.44486 8621.471151 8453.588305 7501.115359 19519.797 NA 18327.65996 6743.334903 15728.24529 40969.79681 30114.24846 15275.35316 33355.02228 NA 11120.26322 12693.90214 17375.82642 23150.42018 8265.781154 19542.52053 7868.041676 NA 21289.2178 8416.881749 NA 16925.90097 10064.4493 NA 17137.25362 26599.95488 NA 9628.512221 NA 13708.54986 12806.84575 NA 11900.32823 NA 12042.53161 19142.92413 NA 14676.33657 15399.03233 10660.52708 NA 9796.71168 NA 11895.60668 31249.43579 20307.3942 7888.143542 30761.51372 NA 22422.16629 12814.96538 NA 11034.36584 11986.73769 15031.847 13426.35572 7084.146293 37141.62555 18167.06551 NA 6350.948158 NA 8358.82948 14014.71511 NA 15251.86501 NA 198667.4781 8552.796515 12440.94375 16031.90894 NA 4255.621763 16788.54328 12897.03298 18542.90989 14125.77739 NA 8651.888532 22122.8892 13357.99336 14835.64239 NA 15352.22887 NA 16189.12268 18142.55116 NA 12192.32512 13480.07328 5304.528954 17668.19359 15796.48533 7587.148281 13038.9449 17759.91848 NA 7017.558279 15897.4966 13799.07344 17567.07018 NA 8684.979549 19228.15698 13005.54427 NA 51504.03451 23967.81691 Dipalmitoyl-Phosphoethanolamine NA NA NA NA NA NA 53400.18251 51648.15579 49916.51211 53215.38045 52342.05699 60010.87187 57703.62654 51114.16164 49880.37733 49839.3025 56229.93278 67498.26889 60792.38698 55692.63562 59991.56913 55203.55562 51443.93049 60270.68312 57422.57142 63295.92075 41833.46181 46765.50531 95755.43046 63236.43406 83025.89689 29671.05391 45719.58607 51890.67664 33147.16827 56577.06031 77824.94727 96253.71939 113211.9175 52269.61746 24516.73832 66976.96057 58697.01125 99352.34863 78052.97951 103695.6307 87830.07443 29115.13529 65791.85273 110704.2264 26596.02539 68149.67849 52096.56734 92561.43827 80856.56052 50632.91184 88633.52149 121885.3525 73035.28785 93042.46522 51534.86941 42116.32381 62854.67749 33573.15671 29594.9318 62371.75336 54830.39735 42746.65945 21939.13473 48185.11282 71612.56369 51804.76799 31083.82443 67379.54379 97793.73505 28313.67984 24378.97621 48246.90507 50246.17531 47040.66699 84577.54348 82806.69374 57325.48661 59112.57586 40492.51332 74407.20964 80655.97487 50567.13082 51886.12793 48228.30418 25598.63735 79303.01916 43926.41994 64410.97559 53701.41273 89642.36162 85799.04903 40151.36804 67888.18681 62239.97331 50188.26389 26623.01131 78842.00571 88766.31478 29655.99255 117822.2713 58400.20652 109207.4319 135566.2339 55425.33087 64524.46398 26283.66752 89626.52491 84726.44765 32664.63017 100558.8393 31387.50774 65780.1705 162895.6046 157952.5415 80106.74635 67038.20545 47794.386 21989.72598 20647.19528 63744.01691 39682.20992 124345.6414 120182.2733 29970.90706 77059.0501 34767.44209 73641.94518 32952.3291 52726.69902 64205.10923 27121.92343 54564.64276 83087.45914 102678.3532 96114.51534 24022.41316 47865.80179 68657.49323 48241.49168 62401.36016 55865.47405 68971.57366 55398.44024 25768.57654 59845.67893 62502.92045 24405.57953 47807.89481 40094.84365 61777.41051 66257.25361 90941.61357 57728.66151 94805.47754 41982.91286 44141.01787 24241.32509 88104.24855 33747.75001 49532.19387 55741.93655 48966.58002 33687.19106 44937.09926 49758.38959 31727.42038 64609.50056 34254.07617 62795.49159 64598.76492 57259.25451 33220.01758 58867.73579 37684.68928 58730.05345 66490.54745 33494.40997 44079.91438 87187.22015 35500.33167 67002.18651 Sphingomyelin NA NA NA NA NA NA 460818.7868 449030.8132 492386.2616 452081.3698 473616.8336 493112.8681 417185.464 428379.3869 452516.0256 461866.8227 486985.7187 532952.931 438195.5888 449841.0151 472666.1599 419447.9634 438686.9827 441200.176 400263.2523 497520.5684 567771.6745 1229755.705 596555.8004 393090.083 809090.2445 439652.4562 1294572.767 502814.6898 350344.1918 404756.9817 717024.1151 381632.4225 508702.4185 213594.6287 443897.8614 1041606.892 395488.1901 555743.4272 373685.7213 855154.1982 383501.0636 237281.5891 946064.4357 752320.7933 453005.2074 526164.0061 337434.1614 840879.1474 916540.5289 161468.1961 275779.2007 302055.7745 548843.0292 668144.2476 274786.5855 463195.6037 693378.0308 246641.626 250765.9489 852518.5441 695011.5116 445173.2913 471658.1751 717768.371 947496.9683 359542.0274 318398.8618 204569.0918 336123.199 94642.08698 76580.64851 358661.3583 633086.9368 133186.3478 598120.5063 595947.5308 690825.4838 434620.8176 81849.82291 75020.59053 474686.8872 46138.98288 861186.9803 544139.0258 261653.0246 569825.6363 184275.043 618592.3168 162865.9765 168528.1812 681354.6927 229097.5331 590171.5308 792948.4978 511278.3181 460480.767 895573.4855 411972.0905 347173.8506 949038.4117 283325.55 520306.4269 338589.2877 474920.4255 718293.9394 464084.297 609926.8962 440999.9574 355131.7947 540466.2856 167756.6838 384026.9856 215578.2035 503695.3233 210376.5528 1424250.583 1000673.068 509313.5707 445547.3522 1118621.992 542284.7659 676601.9208 440749.0206 138950.6194 1007833.953 472125.9522 557434.8145 136890.2234 645869.6551 1123254.899 206981.2183 377615.6026 826852.3797 877108.0011 615623.6126 570554.9012 190520.5708 979063.7141 221873.0868 878352.725 19285.75944 646524.4012 866981.8586 426942.8647 1155859.803 800612.106 282166.3016 445712.6562 126343.471 450550.2903 846047.3887 638279.8788 222135.095 505687.3855 817462.3958 1590839.423 642428.5587 931148.165 142776.5782 340903.6288 1415625.988 674008.2215 538371.6491 1433506.456 1354378.115 543279.6186 1088591.295 278637.0823 459638.2103 1385560.889 1093188.224 380813.61 676746.856 367520.8038 945148.9758 1343236.676 500457.8999 738856.8683 848123.7682 250978.6948 473012.0705 18:2 (Cis) PC (DLPC) (1,2-dilinoleoyl-sn-glycero-3-phosphocholine) 433139.1068 149592.7817 112063.2037 1504758.406 406394.0995 322692.0724 26211451.45 24800002.1 25130860.08 25374119.4 25690472.49 24433337.97 21464341.11 23859876.36 25097774.54 25246132.67 25114983.76 25945104.83 24476471.13 24779035.03 24269009.7 24535287.11 21216024.53 24842127.84 24285277.4 31499449.39 28736356.66 21660633.31 15332033.33 22631554.83 13254562.65 29917443.23 13240796.53 24735014.02 28550468.03 23254395.84 17542422 19591188.18 16758621.2 25341295.69 30459035.26 17228930.38 24299453.29 27293009.48 29299566.63 21053550.82 23213521.05 28054241.32 20017345.63 16131097.36 29359620.03 23012652.37 31046048.29 21400773 19367274.48 25413044.15 19510231.11 13664792.13 21596556.39 15128461.39 20842994.1 27204553.86 18517499.82 27961894.73 25057086.9 16753234.77 23345249.64 28026458.45 31369129.58 22228880.4 15619968.22 21660702.04 23969928.62 18426625.09 10336203.59 23389062.12 25286240.89 23973696.93 20274616.26 21428831.03 15174657.38 21359456.23 20094714.68 25164494.84 28125462.44 25017996.62 16192462.2 24615646.9 23451034.26 30700354.56 31595830.93 20341412.32 24592901.07 17984735.16 28160611.13 24576282.49 17505720.31 20747890.14 16588655.37 14427729.46 26624224.33 32090134.24 18758830.15 25505440.68 30676388.6 16169469.28 24204756.51 15178394.74 19048148.33 22473684.87 20355633.71 30392074.97 11691140.44 17993317.01 22849643.5 13305044.76 23312128.36 18240492.14 18444512.58 17124485.66 26515467.18 16291134.75 25031710.06 28905226.01 31096839.79 21692999.92 30656419.14 17288778.43 24329293.22 31427429.39 26510288.68 34518201.71 29576722.06 28045290.14 21538003.48 20269127.53 26434138.42 23307224.76 17930427.18 14872096.7 18146926.66 29363696.07 28721209.92 18732048.17 29637607.65 17082727.16 16038813.6 20735102.17 20342621.61 27434040.34 17736392.48 18107664.46 29712455.38 25045870.34 21957777.04 22862279.12 20560395.28 19189771.1 27625092.73 22490594.07 30133329.43 19411765.65 31691728.02 20197777.43 26279147.21 27638966.83 19503243.61 24518348.94 27484757.02 16542945.24 22275770.49 31299848.99 14982058.85 22144428.14 18970525.91 16667639.22 19538789.79 25916958.44 22565867.21 27047951.08 15552187.69 23395850.35 32377394.56 31551288.49 15836578.13 22758387.9 20740160.02 Thioetheramide-PC 23183.40498 9584.35313 6731.960005 46197.3886 16818.89124 11422.03922 30968387.28 30401665.1 29374534.42 29520850.08 30194028.07 29622287.39 29805591.93 28667269.68 28450808.27 28836306.04 29934802.09 30477787.06 29505632.33 28745340.71 28861980.66 29324077.54 29517718.83 30097720.76 29420176.03 28395001.92 30904602.99 30309028.39 31720605.31 29536773 31107500.78 32545252.09 27466371.04 33609831.79 32556965.64 35713785.62 32728640.12 34633294.85 32875320.2 29516463.36 24254803.57 24478940.1 28020516.27 30766772.27 29079883.56 30528851.81 32157055.29 22873832.92 28537931.73 33589202.94 34411806.61 35880329.27 28128410.39 28615599.74 28730065.35 29376185.06 32365081.41 31178237.71 33192768.6 33197059.22 30159059.13 30157355.88 29090089.02 29262742.72 33160974.22 33076761.61 33439645.66 31892735.02 30362259.12 31024786.59 29986283.96 33100734.84 30454018.21 33266257.02 31410081.38 28674445.58 28099829.94 32212293.89 32394891.19 28217056.36 31051991.82 32123291.85 29616645.31 30201016.27 28387842.75 25321239.62 26821436.13 22195762.81 28427724.48 28368568.29 26245955.55 29872032.83 28102725.07 29835760.56 25902017.89 29438782.73 29424739.06 32140426.31 34318469.23 32568289.61 29324054.16 27113344.48 28759547.06 34290222.32 31279006.24 31294395.21 30701633.86 31706349.33 32945681.95 32557124.19 32079077.94 28659446.35 31652803.96 33707740.45 32076170.5 36777148.4 32795947.98 36640865.61 30642228.12 30164215.24 26704173.6 30209581.88 32045763.03 30863426.7 29283464.5 30238121.9 30865772.22 27106962.78 28459140.47 29877340.78 32106138.03 29651375.43 30661046.51 27305454.1 28965662.16 28269419.4 25915409.11 29220401.56 28992216.66 29473293.98 32838282.32 27243552.08 26192871.35 26600546.08 25693936.09 31333818.2 24918145.44 31906093.81 31139419.69 30434433.25 30926594.59 29141898.21 25387056.76 29211105.62 24123091.46 26151576.16 26835035.64 30154409.56 27034183.35 29908534.12 30367332.89 27379498.74 28875293.41 30390451.31 26633455.75 29981771.14 29456335.12 29264647.21 28443443.46 24385932.18 26812097.05 26689543.28 31723050.68 30830240.15 33530952.34 32741222.35 34587772.74 31804206.92 31285128.71 29319398.03 28425898.08 28762014.46 26838396.1 28357858.04 30330012.96 29626693.52 30967477.85 Eicosapentaenoyl PAF C-16 23047.62692 6949.910602 NA 72263.08221 17480.83889 12902.04151 886416.2085 949055.3956 918527.231 1030364.579 989879.2688 963865.8072 978169.1828 926882.1229 965212.4822 960884.1327 976776.0025 992755.3216 960486.9832 923124.1006 944820.9665 950516.8014 998347.2492 940487.7377 948843.7955 1502390.185 1150822.897 811348.3447 367852.7295 925369.4122 334019.3455 1499055.619 362036.7816 901200.7935 1151011.592 584614.5246 364683.304 294892.6166 205956.6957 687854.911 2340508.271 807197.3763 1293259.03 794776.9745 1151754.455 557434.0315 1047217.617 2717815.274 1110408.004 439489.6164 1449467.979 894527.2769 1517376.935 672883.8557 570795.5601 765963.7461 408675.4903 197411.8292 803597.461 440204.6536 1262027.827 874591.0075 611783.5688 893770.9943 983168.2787 386055.0498 695276.1527 1170130.087 1500844.76 926918.5673 515032.2442 858231.331 1317751.35 330434.9769 186972.5405 558899.0794 1223011.578 866800.4924 663660.3659 1429687.16 615033.408 978439.0244 639836.9337 1032735.873 1428087.567 753327.8073 541064.8171 953318.6742 822220.9046 1290712.436 1877607.737 1113008.278 1351435.59 873569.8916 1039749.77 732402.627 380358.0256 1094038.506 715800.5269 496958.0743 1460413.144 1899069.297 756060.3046 662841.139 1165057.901 335031.8227 1044716.938 389833.7925 584617.5431 1154916.579 1041261.645 2149072.013 215209.5026 370019.1723 648532.3119 217793.7711 1079578.414 523084.6898 487624.6615 411064.2249 870439.542 888773.263 1228865.247 1478378.267 2067129.143 963796.0096 1555676.431 361351.1951 472960.5177 1455670.868 1189407.108 1918145.121 1419027.026 1671355.782 1236041.689 938957.6133 960338.2167 603217.672 407651.4638 318102.2495 428167.8199 2034954.607 1209744.141 607024.3828 1348552.489 470951.6838 673644.7303 618932.3627 611579.0576 1078825.602 432529.9082 808635.5906 1393644.67 950113.8004 752274.2223 623936.4148 493135.5932 697674.9591 1375180.304 794961.1829 1313233.134 701951.2978 1750335.475 530816.047 1129480.68 884493.2968 555978.7416 891900.3872 995053.7557 626134.4779 963062.0498 1619703.09 480562.7796 999241.079 613095.7259 519677.8731 605277.0604 1172973.531 858406.7506 1279227.83 574818.4815 894936.038 1598843.633 1177897.307 289902.6165 580945.1611 367533.8337 Dipalmitoylglycerol 39164.88384 26459.41075 21682.71758 44221.69304 65315.72633 68233.81668 10039.27804 10269.48829 7468.395171 8443.99091 8794.063707 7471.560221 8632.894279 10075.34231 9539.386322 9529.859191 8290.531033 9579.313881 9004.600434 8250.120395 9336.336245 7622.388385 7891.43486 7780.495378 10084.86519 1760.054916 4232.398558 5989.344051 6656.414749 1634.963806 11598.56961 2592.564382 15667.83241 9136.036326 2340.586626 5906.709124 13210.92684 8709.029699 23262.77177 4289.589643 1404.668582 9133.809587 7514.211403 6787.041951 4654.343865 13335.66005 10443.91983 2931.620988 6908.436425 18848.65294 3346.642047 8005.847929 2567.880449 10426.509 7930.00368 5695.462507 22233.22291 43288.68965 11752.92702 19235.43602 6894.69189 4203.202418 9340.188289 3416.860971 3911.423864 5928.553701 4658.096081 4212.903041 2113.24901 6900.477142 11752.86159 7819.306973 2960.454347 14389.39089 33604.31011 6461.974167 1680.0934 3246.262289 7229.597239 6481.36142 22381.92925 15079.55676 9954.185201 8035.279422 5141.305525 18811.68132 41701.89476 15916.32488 10142.29345 9871.834955 2792.866021 7963.432385 4853.299717 9163.722831 4483.726536 7976.080139 13943.78504 4768.069722 6661.059874 10375.31797 3581.939762 1839.003532 6022.841275 10248.1544 2969.332688 15149.12876 2852.304001 10031.79168 7984.688226 3021.258276 5635.534648 1548.061775 23372.48166 9579.521637 3024.509475 40486.98971 6976.557299 13953.79347 11677.64875 23813.18486 4946.457653 5298.05461 4151.972927 1573.063052 1291.958146 10405.63427 3520.148498 34792.67386 18722.42032 2819.390906 6522.955034 2029.62039 3278.398817 2594.250789 4534.897492 7536.726873 9174.707668 16908.34859 26203.85641 13962.66377 8250.663719 3031.416744 4483.481646 15730.03215 2513.355542 15894.88316 47826.07249 11882.74036 8736.793591 4574.325086 12435.3653 12559.16965 3167.277736 6495.022988 9162.23257 13291.09389 19304.89786 7575.458589 1745.128784 4587.713875 5791.199831 9876.392564 2961.754853 13793.0055 2332.790208 8993.104052 7065.089606 3942.213075 2301.961639 11038.63003 6593.572254 3166.147927 6006.491673 1522.837816 2721.252613 11738.40299 7212.783152 2294.427766 2714.074726 1288.029854 5225.370996 6742.338478 2134.22349 2947.500015 15945.32009 4680.110631 12625.41858 Docosahexaenoyl PAF C-16 NA NA NA NA NA NA 582406.094 592860.4435 583671.4916 584685.2249 569239.6319 583204.7348 573025.8895 546704.7949 576345.3373 566927.0097 589798.8601 599683.2425 580890.0952 562456.101 562245.4913 574399.5318 583811.2901 583519.8431 573121.0036 1221331.31 959583.7446 609004.1946 500141.6839 883067.2445 436830.8554 1323469.563 348873.5258 964963.6461 974934.2975 671787.3537 417931.4886 546540.8827 403902.6882 870338.8182 1402294.31 511040.8983 908063.9772 920301.152 1145370.787 681897.7523 946750.3268 2009274.518 868597.2672 498830.0506 1267202.19 834018.5687 1110946.01 583032.5931 524546.7526 911818.9015 506250.877 309260.6789 877989.8846 478555.4463 1104154.247 911955.1307 617994.5609 1132687.891 1077984.155 500575.7513 826100.9086 986070.9505 1274035.946 821997.8319 483341.5719 905105.1065 1271004.333 376773.9619 189246.8943 509600.9606 967257.4345 896845.9402 669435.2555 947687.4776 553360.645 749282.1175 598755.991 978910.5834 1368900.02 629803.6765 386635.0246 724625.4954 679336.1105 1082285.829 1466316.595 945047.1931 1248757.53 755835.9535 1027784.22 784323.9621 398054.6054 1292565.99 891825.1025 584778.5889 1098539.094 1495062.948 569661.7837 696323.5677 1129681.951 376818.5102 920340.4128 442896.4959 651071.6454 958532.8517 790450.7397 1599471.23 341277.7655 514722.7625 915523.8821 373447.3246 1277560.437 716907.6159 548427.3674 435341.2149 937712.4583 848810.1229 1398904.067 1750888.449 1578662.461 720230.9381 1265763.24 348243.2875 603260.2762 1334185.134 1085078.469 1707400.81 1295717.696 1447484.001 1103560.587 800050.5213 909964.2154 679493.7575 427955.3706 336954.3726 457719.2835 1624785.44 876117.564 463395.276 1002149.285 529005.0635 483377.681 854627.7118 578269.8007 1031020.573 410666.365 669043.5699 1351937.56 872898.1698 758534.7661 652887.3134 494718.4283 601340.01 1277299.267 779615.5422 1037137.695 537687.5927 1241984.214 398272.4329 1019160.027 795146.3539 565543.8705 834713.8382 1061048.682 548151.166 818279.0147 1318478.579 529526.5889 1197253.19 768625.4137 649434.2241 803764.3787 1588486.254 772478.1876 1116114.811 484550.1102 702555.0079 1370011.252 1050025.374 504300.8887 858918.2658 631339.6281 Arachidonoyl PAF C-16 56552.04236 15758.83857 13117.4474 121889.8364 71667.78434 44505.36367 2471225.033 2537700.767 2429400.266 2583520.575 2479600.883 2599714.361 2511684.587 2352516.011 2520101.48 2491314.074 2527763.739 2526708.061 2564371.396 2485685.809 2460483.91 2523277.693 2610836.52 2472012.602 2515994.699 3051873.615 2789660.311 2018402.055 2038359.401 2958808.784 1812645.424 2968593.781 1245828.865 2375229.967 2900345.197 2255845.534 1548994.711 1965073.797 1612655.666 2361102.104 3195297.664 1601083.956 2413998.763 2465431.78 2742454.696 1935851.18 2406620.746 4604674.494 2802780.731 1738225.557 3262488.265 2788232.11 3373414.858 2152483.111 1938541.575 2162438.017 1583842.736 1201703.298 2181391.576 1646696.804 2969282.772 2434326.456 1941043.803 2515291.391 3056064.069 1979668.697 2423770.074 2518213.728 2740584.527 2037068.693 1539235.811 2167028.572 2720312.058 1494729.952 950266.4407 1949075.044 2939975.507 2614919.021 2079008.553 2586011.391 1686027.74 2235501.277 1844913.507 2557570.162 2997665.859 1969354.566 1561389.721 2185429.65 1947998.571 2500982.108 2968094 2513930.678 2691592.965 2223262.208 2965103.252 2465350.624 1859939.461 3308786.207 2683545.969 2132003.432 2812285.208 3277068.323 1814769.403 1737851.159 2264518.396 1206475.31 2877593.691 1831774.501 2207497.333 3107969.429 2813604.999 4017576.713 1146040.429 1645291.637 2106463.361 1675929.655 3189695.03 2342791.848 2024381.359 1777493.877 2671641.691 2383135.412 3236394.113 3502741.481 3009770.77 1733798.731 2739632.354 1334971.087 1791804.828 3288662.323 2589899.847 3594381.084 3008577.364 3564659.216 2858436.549 2268827.655 2023373.837 1726588.676 1228638.116 1750549.191 2158401.666 3389951.072 2549865.684 1678284.646 2678428.344 1897600.888 2191865.777 2404308.871 2069027.558 2686466.058 1675178.501 1890045.001 2769853.943 2268300.656 1779590.436 1591904.078 1348076.098 2488544.166 3815021.972 2822131.845 2472923.835 1532727.372 2729327.1 1329038.737 2206848.481 2033021.254 1856774.639 2601634.024 2682070.145 1632769.904 2137696.591 2959506.843 1991763.5 3351398.203 2730594.586 1916092.528 2385086.295 3397114.557 2581222.591 3173414.25 1768779.462 2331530.702 3385831.669 2963913.591 1900851.82 2924540.313 2446239.873 Dipalmitoyl-phosphatidylcholine NA NA NA NA NA NA 1304003.993 1715604.237 1416480.914 1270673.335 1293569.128 1332239.097 1330675.579 1228599.787 1233589.353 1725903.647 1303745.482 1519621.353 1367510.258 1502408.829 1445170.497 1355591.826 1431323.081 1383285.442 1532567.052 463315.0877 1728333.881 3939824.975 2565486.308 647059.1378 3089459.207 709881.9054 4557837.401 1914624.835 624537.4547 2481715.394 3264649.236 1918963.574 2637672.951 428797.3911 435285.204 4409914.39 2298682.798 2089545.531 468961.8962 2707932.161 2140564.611 403355.8662 2234168.024 2857159.7 500603.7846 2506919.499 347531.3384 2082421.607 2142323.548 250768.1358 1588333.281 1963193.257 2126779.784 2848011.778 391545.1001 1027785.383 2347941.072 410898.7515 378560.3519 2698448.872 1778811.573 1463374.958 409004.5993 1729042.168 2426326.89 1704480.814 500181.5307 1676583.448 3235318.806 325905.0224 304749.9891 1218202.65 1838486.771 268845.8761 2156956.915 1412657.983 2065473.611 1410023.745 430132.2825 1119011.461 2015598.13 394622.7003 2143335.417 1655815.024 349864.6113 1832492.364 416478.2876 2345590.187 359466.9436 1513341.039 2399162.314 409550.5527 1598831.179 1750567.285 1540101.159 493017.6438 2733546.568 2032987.374 298777.0408 2894643.681 345032.8916 2000544.7 1847586.016 1874501.204 2273998.334 522127.0733 4439704.065 2421997.913 462533.1181 3134145.65 393625.4492 2502228.022 1209422.11 2564431.183 356955.8368 2958734.953 1754262.853 317759.7705 347085.5937 3350061.526 1573932.581 3246039.859 1485678.396 522575.8955 3297339.858 530559.3913 2075720.965 371368.6973 1369589.022 2261266.016 351339.0382 2137360.568 3216765.258 3206432.262 2515379.195 230399.2843 426669.288 1892201.34 295302.6709 3507940.608 269627.5672 2571835.351 2250700.192 395343.2568 2903800.219 2647983.313 418237.3916 1773271.174 559226.2507 1944233.43 3247158.041 2344981.368 336504.4873 1645120.272 2261146.318 3787665.745 805705.2933 3783727.836 341715.9354 1249889.17 2551328.9 1419668.815 445675.2775 2494571.497 2703032.897 420833.0355 3065249.779 515446.446 1997838.116 4679589.198 3520781.248 570678.8477 2820096.17 678195.5761 4022051.535 2916086.849 532637.826 1460380.23 2360155.096 384517.7319 1468042.076 18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine) 523404.6865 121581.7566 67221.93581 1762429.329 420173.6899 212954.6692 37549851.9 38431981.68 38169473.01 38252289.07 38432781.63 38148842.24 38546490.43 37136423.27 38334396.85 38555929.78 39113772.93 39715150.26 38222428.57 37771268.19 37993043.32 38932447.2 39259861.1 39257023.56 38968775.21 35594694.7 34962232.95 29620491.51 37391134.41 43479700.78 32022764.95 35857038.97 19685778.4 34649541.43 44142725.65 41061424.08 31078488.5 39874525.38 33987586.67 42302498.59 38013995.72 24573430.26 36336766.45 36471811.2 40787771.23 30041730.6 33988771.81 35643530.41 30665237.67 34219674.52 48514295.21 47492501.42 42839340.05 33123017.07 31934242.58 44897003.13 39623295.22 34086407.12 32988374.73 28148205.31 38902467.01 40418982.61 33785971.31 41940301.74 43299101.08 31871325.24 34971174.03 39765904.87 37902638.7 34163289.64 23700469.95 36242823.46 39274377.92 46240577.53 33139336.91 47459432.52 50350870.9 48143787.99 43521258.86 46475858.22 37242128.74 44281021.18 30082228.34 38877006.27 42394575.81 36349034.02 30713177.97 36971169.91 29963884.98 34660697.94 38119147.58 45993004.8 46013300.98 39998446.47 42941356.54 39881466.88 33231780.17 47661539.48 46066736.16 38649200.89 38336043.63 36074354.72 28538886.79 39815370.33 44182268.91 29493772.75 40711745.69 30915752.53 39290872.41 41735320.56 38686108.41 40738216.39 29581544.44 37910548.53 42874861.06 37417764.62 51979333.05 46056380.17 36919851.83 29579912.87 36962087.18 34808835.41 41732399.63 44945100.48 42472894.44 30291516.12 39954186.43 27319844.46 33981669.67 37292065.18 33800170.19 36572450.91 39061402.05 38128021.12 33401540.04 29050784.65 40035372.42 37629839.83 30468176.72 30226314.86 37029028.31 39191809.48 41230307.56 32420850.45 40037141.39 27282622.64 47918920 33445740.72 38170618.17 44565531.54 32337626.39 33131796.54 38286491.3 37230116.82 33107933.36 30719054.47 25669038.42 38066091.05 43971197.28 40088733.54 33869252.53 24428292.99 37103101.78 29209263.65 42150622.34 41701911.34 34232463.48 43373681.45 43449679.61 25658546.39 30087447 36620239.65 30013316.1 42370500.18 41193647.04 27911766.39 35232476.22 40758105.12 36613234.18 40115182.55 26918310.09 31430349.71 36961727.61 36288816.93 36064872.33 47768920.23 45070680 Glyceryl trimyristate NA NA NA NA NA NA 945033.4114 976683.5324 1022968.736 1044908.607 1043655.459 1027461.686 1075724.227 1062697.493 1068490.349 1135774.379 1126812.534 1116020.385 1031637.196 1039333.725 1074825.658 1012253.11 1081801.067 1122665.554 1145104.879 8642.354362 1106785.978 1210390.568 1674613.306 NA 1852780.956 12888.55666 1560336.91 1644198.5 8258.087671 1838971.251 1904747.659 2140412.933 2082139.688 9532.812262 NA 1668328.651 1679165.822 897592.62 NA 1630274.729 2211258.344 12505.85566 2507555.115 2280989.429 11413.70372 1916876.297 NA 1764452.199 1343158.792 NA 1493088.658 2124113.12 1282758.409 1803602.018 12759.84284 600959.261 1787400.437 NA 17631.4783 2050401.464 1202948.027 1584355.111 13490.20505 2093145.572 1785069.205 1799153.369 12112.3808 2261836.69 2304800.94 11913.22272 NA 1467678.535 1965021.898 NA 2115830.07 1333787.415 1924348.737 1830680.82 10062.86396 736810.095 1556159.016 9313.611837 2081393.98 1432427.748 NA 1536884.186 11523.95079 2152494.925 NA 1670904.767 2530672.511 19015.75766 2152751.908 1961156.491 1889687.604 NA 2430049.433 2410733.953 35938.73725 2356862.065 50361.54173 2112680.304 2095697.511 2356775.091 2571218.846 20522.95625 2171684.027 1872984.292 NA 2005183.552 NA 2057103.111 2350077.49 2242419.173 40407.19707 1622667.242 1160175.823 27699.62759 NA 2181452.207 1732699.321 1797593.252 1372980.118 NA 2105211.589 24501.64569 1137713.03 15774.41644 862379.2309 1597615.405 NA 1782706.407 2195618.708 2046455.694 1868388.878 NA 906209.7256 1753857.219 NA 2454189.783 7234.856102 2189363.02 1728205.45 6206.135968 1858040.09 2034041.114 13896.10709 1769482.78 9942.859061 1144885.544 1926584.431 2548487.703 14489.00502 2220697.697 769110.5035 1517165.807 NA 2476224.507 NA 1317776.51 1302604 881371.9935 11212.25117 1389549.736 890465.0589 7178.916096 2142188.331 10629.84035 1847342.13 2151032.474 1703093.601 NA 908602.4339 NA 1531390.047 1890859.3 9884.044712 661351.1846 1837794.553 6894.520935 1138675.2 Coenzyme Q10 NA NA NA NA NA NA 90521.41196 93570.41242 97819.7861 91610.01317 97975.35194 103620.3152 91315.66281 81099.51476 91197.75521 89392.45513 104121.9823 84773.65107 90258.03358 84397.80195 100223.1317 87208.04159 81547.58829 80509.52187 83995.12029 173844.4968 116868.6874 89549.43109 66519.34581 115888.3231 56655.83619 94319.27473 36510.06117 83563.27698 128859.4716 77941.28033 60422.03408 74329.48453 55523.41542 110900.1656 130132.4565 40721.59273 64733.14113 101505.015 129128.8837 87006.44591 76085.59457 233971.9694 98228.77468 40610.59012 76457.90515 71534.37326 130958.6533 60695.26248 58599.17022 88353.27928 62447.70375 59084.56923 103977.5905 76384.94504 104649.628 93377.3688 90752.8116 94991.42379 88901.90549 57211.43694 89938.24465 126264.1295 119471.8664 151365.6653 48076.38536 90933.94323 115089.9212 62917.85425 41788.26569 103215.0369 190647.135 103689.0642 92211.40628 136359.9269 97489.9007 111975.5405 52305.16691 89076.79399 93870.29861 91122.33167 67302.0707 75164.68324 87245.98213 147055.1611 137223.2338 158521.0496 123380.5174 114001.2321 110837.8874 96058.98674 58500.7865 168528.2548 189883.5705 99476.24549 168253.5795 126874.9086 67798.64156 85558.18632 141476.3106 50421.66554 116526.0651 52493.98575 99916.12761 119749.7395 119391.3121 186436.5672 37494.16913 47116.60253 62455.6447 44183.94294 118574.3387 93963.02895 103945.5404 63501.7757 128271.7805 93493.95054 143918.4809 96914.93536 195674.2854 96149.49534 213038.6402 71045.98572 83182.0992 200733.2829 128900.5208 127894.8095 146501.5395 140068.4656 113163.3026 81198.596 94879.23947 70396.47892 48853.94443 51994.11611 91531.50091 246123.4888 129350.9925 87116.36836 156965.0129 69972.06154 70757.40302 99253.66246 94858.69465 104775.9725 66589.76162 78682.17994 99708.30749 86468.22076 153831.0346 127592.4826 95663.39329 96509.26172 153520.0836 68596.11421 89698.87799 50878.85206 73987.33642 45729.82403 112231.2896 102085.934 80184.41919 123915.5694 123430.5496 68879.1434 92404.55782 107077.0485 57654.47321 157408.0293 103748.4048 40722.97749 37519.346 75583.77518 51134.49618 62226.56244 37804.03464 84756.97932 102819.6248 75133.60793 32853.9008 57866.45677 36867.11875 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Mass RT (min) RT (sec) Adduct m/z CAS ID Gluconate C6 H12 O7 196.0589 0.38 22.8 (M+H)+[-H2O] 179.0521 526-95-4 L-Glutamic acid / O-Acetylserine C5 H9 N O4 147.0507 0.42 25.2 M+H 148.0585 56-86-0 L-carnitine C7 H15 N O3 161.1055 0.42 25.2 M+H 162.1133 541-15-1 Trimethylamine-N-Oxide C3 H9 N O 75.0686 0.42 25.2 M+H 76.0764 1184-78-7 Sarcosine C3 H7 N O2 89.0476 0.43 25.8 M+H 90.0554 107-97-1 Methyl 4-aminobutyrate C5 H11 N O2 117.0789 0.44 26.4 M+H 118.0867 13031-60-2 N-Acetylglucosamine C8 H15 N O6 221.0939 0.45 27 (M+Na)+[-H2O] 226.0683 7512-17-6 4-Guanidinobutanoic acid C5 H11 N3 O2 145.0842 0.46 27.6 M+H 146.092 463-00-3 O-Acetyl-L-carnitine C9 H17 N O4 203.1173 0.46 27.6 M+H 204.1251 463-00-3 Pyridoxal C8 H9 N O3 167.0605 0.46 27.6 (M+H)+[-H2O] 150.0537 65-22-5 Trigonelline C7 H7 N O2 137.0434 0.46 27.6 M+H 138.0512 6138-41-6 Epinephrine C9 H13 N O3 183.091 0.48 28.8 (M+Na)+[-H2O] 188.0654 51-43-4 N-alpha-Acetyllysine C8 H16 N2 O3 188.1181 0.48 28.8 M+H 189.1259 1946-82-3 O-Glutaryl-L-Carnitine C12 H21 N O6 275.1371 0.48 28.8 M+H 276.1449 NA P-Octopamine C8 H11 N O2 153.0778 0.48 28.8 (M+H)+[-H2O] 136.071 770-05-8 Quinate C7 H12 O6 192.0634 0.48 28.8 (M+Na)+[-H2O] 197.0378 77-95-2 Methyl galactoside C7 H14 O6 194.0819 0.49 29.4 M+Na 217.0709 1824-94-8 N-Acetylalanine C5 H9 N O3 131.0598 0.59 35.4 M+H 132.0676 97-69-8 Ophthalmate C11 H19 N3 O6 289.1225 0.59 35.4 (M+Na)+[-H2O] 294.0969 495-27-2 Uracil 5-carboxylate C5 H4 N2 O4 156.019 0.59 35.4 M+Na 179.008 23945-44-0 2-Thioxothiazolidine-4-carboxylic acid C4 H5 N O2 S2 162.9757 0.63 37.8 (M+H)+[-H2O] 145.9689 20933-67-9 3,4-Dihydroxyphenylglycol C8 H10 O4 170.0571 0.67 40.2 M+H 171.0649 28822-73-3 O-Propionyl-L-carnitine C10 H20 N O4 218.1334 0.75 45 M+H 219.1412 20064-19-1 3-amino-4-hydroxybenzoate C7 H7 N O3 153.0448 0.76 45.6 M+Na 176.0338 1571-72-8 Trans-3-hydroxycotinine C10 H12 N2 O2 192.0905 1.09 65.4 M+H 193.0983 34834-67-8 O-Butyryl-L-carnitine C11 H22 N O4 232.1539 1.26 75.6 M+ 232.1539 162067-50-7 Indoleacetaldehyde C10 H9 N O 159.0688 1.34 80.4 M+H 160.0766 20095-27-6 Tryptamine C10 H12 N2 160.0984 1.34 80.4 (M+H)+[-NH3] 144.0797 61-54-1 3-Hydroxyanthranilic acid C7 H7 N O3 153.0432 1.52 91.2 M+H 154.051 548-93-6 Acetaminophen C8 H9 N O2 151.0626 1.66 99.6 M+H 152.0704 103-90-2 Cotinine C10 H12 N2 O 176.0957 1.8 108 M+H 177.1035 486-56-6 O-Isovaleryl-L-carnitine C12 H24 N O4 246.17 1.99 119.4 M+ 246.17 31023-24-2 5'-Deoxyadenosine C10 H13 N5 O3 251.0993 2.05 123 M+Na 274.0883 4754-39-6 Hippurate C9 H9 N O3 179.0585 2.16 129.6 M+H 180.0663 495-69-2 Phenylacetylglutamine C13 H16 N2 O4 264.1107 2.45 147 M+H 265.1185 28047-15-6 Pyroglutamic acid C5 H7 N O3 129.0426 2.45 147 M+H 130.0504 98-79-3 Theobromine C7 H8 N4 O2 180.0649 2.46 147.6 M+H 181.0727 83-67-0 Paraxanthine C7 H8 N4 O2 180.0649 2.73 163.8 M+H 181.0727 58-55-9 Kynurenate C10 H7 N O3 189.0424 2.5 150 M+H 190.0502 492-27-3 N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine C9 H17 N O4 S 235.0877 2.83 169.8 M+H 236.0955 NA Methylthioadenosine C11 H15 N5 O3 S 297.0915 3.17 190.2 M+H 298.0993 2457-80-9 Indole-3-Acetate C10 H9 N O2 175.0632 3.68 220.8 M+H 176.071 6505-45-9 Caffeine C8 H10 N4 O2 194.0814 3.84 230.4 M+H 195.0892 58-08-2 Riboflavin C17 H20 N4 O6 376.1375 3.91 234.6 M+H 377.1453 83-88-5 3-Methyl-2-Oxindole C9 H9 N O 147.0683 4.73 283.8 (M+H)+[-H2O] 130.0615 1504-06-9 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate) C12 H14 O5 238.0837 4.81 288.6 M+H 239.0915 57074-43-8 Trans-Cinnamate C9 H8 O2 148.0519 5.19 311.4 M+H 149.0597 140-10-3 Azelate C9 H16 O4 188.1049 5.26 315.6 M+Na 211.0939 123-99-9 O-Octanoyl-L-carnitine C15 H29 N O4 287.2101 5.3 318 M+H 288.2179 14919-35-8 3,5-Diiodo-L-Thyronine C15 H13 I2 N O4 524.8971 5.78 346.8 M+H 525.9049 1041-01-6 Bisphenol F C13 H12 O2 200.0839 5.91 354.6 M+H 201.0917 620-92-8 Heptanoate C7 H14 O2 130.1011 6.52 391.2 (M+Na)+[-H2O] 135.0755 111-14-8 MiBP (Mono-isobutyl phthalate) C12 H14 O4 222.0891 6.85 411 M+H 223.0969 30833-53-5 Propyl paraben C10 H12 O3 180.0766 6.87 412.2 (M+H)+[-H2O] 163.0698 94-13-3 Cortisol C21 H30 O5 362.2087 7.01 420.6 M+H 363.2165 50-23-7 Cortisone C21 H28 O5 360.1936 7.05 423 (M+H)+[-H2O] 343.1868 53-06-5 MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) C16 H20 O6 308.1219 7.31 438.6 M+Na 331.1109 40809-41-4 mono-n-butylphthalate (BzBP, DnBP) C12 H14 O4 222.0892 7.32 439.2 M+H 223.097 131-70-4 Naproxen C14 H14 O3 230.0923 7.36 441.6 M+H 231.1001 26159-31-9 L-thyroxine (Levothyroxine), T4 C15 H11 I4 N O4 776.6853 7.56 453.6 M+H 777.6931 51-48-9 Thyroxine C15 H11 I4 N O4 776.6853 7.56 453.6 M+H 777.6931 51-48-9 MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate) C16 H22 O5 294.1494 7.67 460.2 M+Na 317.1384 40321-99-1 Corticosterone C21 H30 O4 346.2131 7.9 474 M+H 347.2209 50-22-6 oxo-MiNP (7-Oxo-(Mono-methyl-octyl) phthalate) C17 H22 O5 306.1391 7.92 475.2 M+Na 329.1281 936022-00-3 OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate) C17 H24 O5 308.1596 8.07 484.2 M+Na 331.1486 936021-98-6 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) C17 H22 O6 322.1386 8.11 486.6 M+H 323.1464 936022-02-5 Cortisol 21-acetate C23 H32 O6 404.2176 8.21 492.6 M+H 405.2254 50-03-3 Benzophenone-3 (Oxybenzone) C14 H12 O3 228.0773 8.33 499.8 M+H 229.0851 131-57-7 Benzyl paraben C14 H12 O3 228.0773 8.33 499.8 M+H 229.0851 94-18-8 Dodecanoylcarnitine (Lauroylcarnitine) C19 H37 N O4 343.2716 8.39 503.4 M+H 344.2794 25322-63-8 O-Dodecanoyl-L-Carnitine C19 H37 N O4 343.2716 8.39 503.4 M+H 344.2794 25518-54-1 Omega-Hydroxydodecanoate C12 H24 O3 216.1727 8.4 504 M+Na 239.1617 505-95-3 Androstenedione C19 H26 O2 286.1884 8.61 516.6 M+H 287.1962 63-05-8 MHNCH (Cyclohexane-1,2-dicarboxylic mono hydroxyisononyl ester) C17 H30 O5 314.2062 8.95 537 (M+H)+[-H2O] 297.1994 1637562-52-7 Glycocholate C26 H43 N O6 465.3071 9.07 544.2 (M+H)+[-H2O] 448.3003 475-31-0 2-Undecanone C11 H22 O 170.1688 9.17 550.2 M+Na 193.1578 121-12-9 O-Myristoyl-L-carnitine C21 H42 N O4 372.3091 9.39 563.4 M+H 373.3169 25597-07-3 R-Budesonide C25 H34 O6 430.2432 9.59 575.4 (M+Na)+[-H2O] 435.2176 51333-22-3 Heptyl paraben C14 H20 O3 236.1408 9.62 577.2 M+H 237.1486 1085-12-7 9,10-DiHOME C18 H34 O4 314.2448 9.64 578.4 (M+H)+[-H2O] 297.238 263399-34-4 MOP (Mono-n-octyl phthalate) / Mono-(2-ethylhexyl) terephthalate C16 H22 O4 278.1516 9.64 578.4 M+Na 301.1406 5393-19-1 / 155603-50-2 Hyocholic Acid C24 H40 O5 408.2868 9.67 580.2 M+Na 431.2758 547-75-1 Sphinganine C18 H39 N O2 301.3013 9.71 582.6 M+H 302.3091 764-22-7 Ursodeoxycholic acid C24 H40 O4 392.2853 9.71 582.6 (M+H)+[-H2O] 375.2785 128-13-2 S-Budesonide C25 H34 O6 430.233 9.75 585 (M+Na)+[-H2O] 435.2074 51333-22-3 12,13-DiHOME C18 H34 O4 314.2464 9.79 587.4 M+Na 337.2354 263399-35-5 Progesterone C21 H30 O2 314.2222 9.85 591 M+H 315.23 57-83-0 Glycochenodeoxycholate C26 H43 N O5 449.313 9.86 591.6 (M+H)+[-H2O] 432.3062 16564-43-5 Cholate C24 H40 O5 408.284 9.87 592.2 M+Na 431.273 81-25-4 Hyodeoxycholic acid C24 H40 O4 392.2896 9.92 595.2 M+H 393.2974 83-49-8 Deoxycorticosterone acetate C23 H32 O4 372.2254 10.05 603 (M+H)+[-H2O] 355.2186 56-47-3 O-Palmitoyl-L-carnitine C23 H45 N O4 399.3346 10.16 609.6 M+H 400.3424 6865-14-1 Laurate C12 H24 O2 200.1788 10.26 615.6 M+H 201.1866 143-07-7 9S-HODE C18 H32 O3 296.2349 10.37 622.2 (M+H)+[-H2O] 279.2281 73543-67-6 mono-isodecyl phthalate C18 H26 O4 306.1826 10.39 623.4 M+Na 329.1716 31047-64-0 Taurodeoxycholic acid C26 H45 N O6 S 499.2972 10.42 625.2 (M+Na)+[-H2O] 504.2716 125757-77-9 Chenodeoxycholate C24 H40 O4 392.2907 10.46 627.6 M+Na 415.2797 474-25-9 Deoxycholate C24 H40 O4 392.2907 10.46 627.6 M+Na 415.2797 302-95-4 Retinoate C20 H28 O2 300.2105 10.57 634.2 M+H 301.2183 302-79-4 O-Octadecanoyl-L-Carnitine C25 H50 N O4 428.3686 10.79 647.4 M+H 429.3764 25597-09-5 12,13-EpOME / 9,10-EpHOME C18 H32 O3 296.2335 10.85 651 M+H 297.2413 0503-07-01 / 6814-52-4 Glycerol-myristate C17 H34 O4 302.2412 10.85 651 (M+Na)+[-H2O] 307.2156 589-68-4 LysoPC(16:0) C24 H50 N O7 P 495.3326 10.94 656.4 M+H 496.3404 14863-27-5 1-Arachidonoylglycerol C23 H38 O4 378.274 11.11 666.6 M+H 379.2818 35474-99-8 1-Linoleoylglycerol_2 C21 H38 O4 354.2778 11.12 667.2 M+Na 377.2668 127961-15-3 Alpha- linolenic acid / Gamma-Linolenic acid C18 H30 O2 278.2237 11.13 667.8 M+H 279.2315 463-40-1 / 506-26-3 Palmitoyl-EA C18 H37 N O2 299.2808 11.13 667.8 M+H 300.2886 544-31-0 POV-PC C29 H56 N O9 P 593.3678 11.13 667.8 M+H 594.3756 121324-31-0 Eicosapentaenoate C20 H30 O2 302.223 11.22 673.2 (M+H)+[-H2O] 285.2162 10417-94-4 Arachidonic Acid C20 H32 O2 304.2361 11.4 684 M+H 305.2439 93444-49-6 Docosahexaenoate C22 H32 O2 328.2425 11.4 684 M+H 329.2503 6217-54-5 Linoleic acid C18 H32 O2 280.2397 11.43 685.8 M+H 281.2475 60-33-3 Oleoyl-glycerol C21 H40 O4 356.2926 11.48 688.8 M+Na 379.2816 111-03-5 Oleamide C18 H35 N O 281.27 11.49 689.4 M+H 282.2778 181057-55-6 PAF C-16 C26 H54 N O7 P 523.3637 11.59 695.4 M+H 524.3715 65154-06-5 Didecanoyl-Glycerophosphocholine C28 H56 N O8 P 565.3651 11.61 696.6 M+Na 588.3541 3436-44-0 Dihomo-Gamma-Linolenic acid C20 H34 O2 306.255 11.62 697.2 M+H 307.2628 1783-84-2 Docosapentaenoic Acid C22 H34 O2 330.2531 11.67 700.2 M+H 331.2609 24880-45-3 cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid C18 H34 O2 282.2552 11.74 704.4 M+H 283.263 506-17-2 / 112-79-8 / 112-80-1/ 593-39-5 Adrenic Acid C22 H36 O2 332.2703 11.83 709.8 M+H 333.2781 28874-58-0 2-O-ethyl PAF C-16 C26 H56 N O6 P 509.3836 11.96 717.6 M+H 510.3914 78858-42-1 Bis(2-ethylhexyl)phthalate C24 H38 O4 390.2763 12.05 723 M+H 391.2841 117-81-7 25-Hydroxycholesterol C27 H46 O2 402.3484 12.1 726 (M+H)+[-H2O] 385.3416 2140-46-7 Desmosterol C27 H44 O 384.3388 12.1 726 (M+H)+[-H2O] 367.332 313-04-2 PAF C-18 / LysoPC(20:0) C28 H58 N O7 P 551.3936 12.12 727.2 M+H 552.4014 74389-69-8 Bilirubin C33 H36 N4 O6 584.2625 12.21 732.6 M+H 585.2703 635-65-4 Alpha-Tocotrienol C29 H44 O2 424.3397 12.47 748.2 M+H 425.3475 58864-81-6 LysoPC(22:0) C30 H62 N O7 P 579.4253 12.55 753 M+H 580.4331 125146-65-8 Erucate C22 H42 O2 338.3156 12.79 767.4 M+Na 361.3046 112-86-7 Cholesterol C27 H46 O 386.3546 12.98 778.8 (M+H)+[-H2O] 369.3478 80356-14-5 LysoPC(24:0) C32 H66 N O7 P 607.4589 13.01 780.6 M+H 608.4667 325171-59-3 Ceramide d18:1/16:0 C34 H67 N O3 537.4971 13.04 782.4 M+Na 560.4861 24696-26-2 18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine) C41 H74 N O8 P 739.5173 13.06 783.6 M+H 740.5251 20707-71-5 C16 Sphingomyelin (d18:1/16:0) C39 H79 N2 O6 P 702.5668 13.09 785.4 M+H 703.5746 6254-89-3 Ceramide d18:1/18:1 (9z) C36 H69 N O3 563.5225 13.11 786.6 (M+H)+[-H2O] 546.5157 5966-28-9 LysoPC(26:0) C34 H70 N O7 P 635.488 13.2 792 M+H 636.4958 1213783-80-2 Dipalmitoyl-Phosphoethanolamine C37 H74 N O8 P 691.517 13.21 792.6 M+Na 714.506 5681-36-7 Sphingomyelin C41 H83 N2 O6 P 730.5818 13.3 798 M+Na 753.5708 85187-10-6 18:2 (Cis) PC (DLPC) (1,2-dilinoleoyl-sn-glycero-3-phosphocholine) C44 H80 N O8 P 781.5634 13.33 799.8 M+H 782.5712 998-06-1 Thioetheramide-PC C40 H83 N2 O5 P S 734.5657 13.39 803.4 M+H 735.5735 116457-99-9 Eicosapentaenoyl PAF C-16 C44 H80 N O7 P 765.5731 13.42 805.2 M+H 766.5809 132196-28-2 Dipalmitoylglycerol C35 H68 O5 568.5043 13.44 806.4 (M+H)+[-H2O] 551.4975 30334-71-5 Docosahexaenoyl PAF C-16 C46 H82 N O7 P 791.5839 13.47 808.2 M+H 792.5917 22055-22-7 Arachidonoyl PAF C-16 C44 H82 N O7 P 767.5929 13.49 809.4 M+H 768.6007 86288-11-1 Dipalmitoyl-phosphatidylcholine C40 H80 N O8 P 733.5623 13.51 810.6 M+H 734.5701 8002-43-5 18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine) C44 H84 N O8 P 785.5983 13.62 817.2 M+H 786.6061 27098-24-4 Glyceryl trimyristate C45 H86 O6 722.6411 14.46 867.6 M+H 723.6489 555-45-3 Coenzyme Q10 C59 H90 O4 862.688 14.78 886.8 M+Na 885.677 303-98-0 METABOLITES_END #END