#METABOLOMICS WORKBENCH SinaiMetabolomics_20200522_140732 STUDY_ID:ST001385 ANALYSIS_ID:AN002312 #ANALYSIS TYPE: MS; ION MODE: Reversed phase NEGATIVE ION MODE; (Institute: Icahn School of Medicine at Mount Sinai) VERSION 1 CREATED_ON 04-27-2024 #PROJECT PR:PROJECT_TITLE CHEAR_2017_1977 Urine Metabolomics PR:PROJECT_SUMMARY To perform an untargeted metabolomics analysis of urine samples, matrix blanks PR:PROJECT_SUMMARY and quality control samples. The metabolomics approach will be performed using PR:PROJECT_SUMMARY both reverse phase (RP) and HILIC chromatography (ZHP) separations coupled to PR:PROJECT_SUMMARY high-resolution mass spectrometry. PR:INSTITUTE Icahn School of Medicine at Mount Sinai PR:LAST_NAME Petrick PR:FIRST_NAME Lauren PR:ADDRESS Department of Environmental Medicine and Public Health, Atran Building 3rd PR:ADDRESS floor, 101st St. between Madison and 5th Ave, New York, New York, 10029, USA PR:EMAIL lauren.petrick@mssm.edu PR:PHONE 212 241 7351 PR:DOI http://dx.doi.org/10.21228/M8198B #STUDY ST:STUDY_TITLE Microbial and metabolic variations mediate the influence of childhood and ST:STUDY_TITLE adolescent EDC and trace element exposure on breast density. ST:STUDY_SUMMARY Our CHEAR project builds on the longitudinal Growth and Obesity Cohort Study in ST:STUDY_SUMMARY Santiago, Chile, which includes approximately 500 girls born in 2002-2003. ST:STUDY_SUMMARY Participants were recruited in 2006 from public nursery schools of six counties ST:STUDY_SUMMARY in Santiago representative of low to middle income families. Children were ST:STUDY_SUMMARY included if they were singletons with birthweight between 2500 and 4500g, and ST:STUDY_SUMMARY had no physical, medical or endocrine diseases that may alter the growth and/or ST:STUDY_SUMMARY onset of puberty. Semi-annual collection of participant anthropometric and ST:STUDY_SUMMARY pubertal development data by trained dietitians has continued since 2009. The ST:STUDY_SUMMARY overall objectives of our CHEAR study are to assess how exposure to ST:STUDY_SUMMARY endocrine-disrupting chemicals (phenols and phthalates), and trace elements ST:STUDY_SUMMARY (metals) measured in urine samples at Tanner stages 1 and 4 and 1 year ST:STUDY_SUMMARY post-menarche influence the pubertal microbiome and metabolome, and the ST:STUDY_SUMMARY potential impact on adolescent breast composition measured by DXA at Tanner ST:STUDY_SUMMARY stage 4 and 2 years post-menarche. ST:INSTITUTE Icahn School of Medicine at Mount Sinai ST:LAST_NAME Petrick ST:FIRST_NAME Lauren ST:ADDRESS Department of Environmental Medicine and Public Health, Atran Building 3rd ST:ADDRESS floor, 101st St. between Madison and 5th Ave, New York, New York, 10029, USA ST:EMAIL lauren.petrick@mssm.edu ST:PHONE 212 241 7351 ST:SUBMIT_DATE 2020-05-22 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_1 Factor:matrix Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=1; Injection=14; RAW_FILE_NAME=GD_B1_014_matrix_19S065_RPN PT_B1_014_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_10 Factor:matrix Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=178; Injection=107; RAW_FILE_NAME=GD_B2_107_matrix_19S065_RPN PT_B2_107_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_11 Factor:matrix Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=179; Injection=108; RAW_FILE_NAME=GD_B2_108_matrix_19S065_RPN PT_B2_108_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_12 Factor:matrix Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=180; Injection=109; RAW_FILE_NAME=GD_B2_109_matrix_19S065_RPN PT_B2_109_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_13 Factor:matrix Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=181; Injection=14; RAW_FILE_NAME=GD_B3_014_matrix_19S065_RPN PT_B3_014_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_14 Factor:matrix Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=182; Injection=15; RAW_FILE_NAME=GD_B3_015_matrix_19S065_RPN PT_B3_015_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_15 Factor:matrix Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=183; Injection=16; RAW_FILE_NAME=GD_B3_016_matrix_19S065_RPN PT_B3_016_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_16 Factor:matrix Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=267; Injection=106; RAW_FILE_NAME=GD_B3_106_matrix_19S065_RPN PT_B3_106_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_17 Factor:matrix Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=268; Injection=107; RAW_FILE_NAME=GD_B3_107_matrix_19S065_RPN PT_B3_107_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_18 Factor:matrix Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=269; Injection=108; RAW_FILE_NAME=GD_B3_108_matrix_19S065_RPN PT_B3_108_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_19 Factor:matrix Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=270; Injection=14; RAW_FILE_NAME=GD_B4_014_matrix_19S065_RPN PT_B4_014_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_2 Factor:matrix Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=2; Injection=15; RAW_FILE_NAME=GD_B1_015_matrix_19S065_RPN PT_B1_015_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_20 Factor:matrix Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=271; Injection=15; RAW_FILE_NAME=GD_B4_015_matrix_19S065_RPN PT_B4_015_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_21 Factor:matrix Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=272; Injection=16; RAW_FILE_NAME=GD_B4_016_matrix_19S065_RPN PT_B4_016_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_22 Factor:matrix Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=356; Injection=106; RAW_FILE_NAME=GD_B4_106_matrix_19S065_RPN PT_B4_106_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_23 Factor:matrix Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=357; Injection=107; RAW_FILE_NAME=GD_B4_107_matrix_19S065_RPN PT_B4_107_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_24 Factor:matrix Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=358; Injection=108; RAW_FILE_NAME=GD_B4_108_matrix_19S065_RPN PT_B4_108_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_25 Factor:matrix Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=359; Injection=14; RAW_FILE_NAME=GD_B5_014_matrix_19S065_RPN PT_B5_014_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_26 Factor:matrix Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=360; Injection=15; RAW_FILE_NAME=GD_B5_015_matrix_19S065_RPN PT_B5_015_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_27 Factor:matrix Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=361; Injection=16; RAW_FILE_NAME=GD_B5_016_matrix_19S065_RPN PT_B5_016_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_28 Factor:matrix Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=436; Injection=97; RAW_FILE_NAME=GD_B5_097_matrix_19S065_RPN PT_B5_097_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_29 Factor:matrix Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=437; Injection=98; RAW_FILE_NAME=GD_B5_098_matrix_19S065_RPN PT_B5_098_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_3 Factor:matrix Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=3; Injection=16; RAW_FILE_NAME=GD_B1_016_matrix_19S065_RPN PT_B1_016_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_30 Factor:matrix Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=438; Injection=99; RAW_FILE_NAME=GD_B5_099_matrix_19S065_RPN PT_B5_099_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_4 Factor:matrix Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=88; Injection=107; RAW_FILE_NAME=GD_B1_107_matrix_19S065_RPN PT_B1_107_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_5 Factor:matrix Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=89; Injection=108; RAW_FILE_NAME=GD_B1_108_matrix_19S065_RPN PT_B1_108_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_6 Factor:matrix Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=90; Injection=109; RAW_FILE_NAME=GD_B1_109_matrix_19S065_RPN PT_B1_109_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_7 Factor:matrix Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=91; Injection=14; RAW_FILE_NAME=GD_B2_014_matrix_19S065_RPN PT_B2_014_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_8 Factor:matrix Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=92; Injection=15; RAW_FILE_NAME=GD_B2_015_matrix_19S065_RPN PT_B2_015_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS matrix_19S065 matrix_19S065_9 Factor:matrix Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=93; Injection=16; RAW_FILE_NAME=GD_B2_016_matrix_19S065_RPN PT_B2_016_matrix_19S065_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_1 Factor:NIST Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=4; Injection=17; RAW_FILE_NAME=GD_B1_017_NIST3672_RPN PT_B1_017_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_10 Factor:NIST Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=273; Injection=17; RAW_FILE_NAME=GD_B4_017_NIST3672_RPN PT_B4_017_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_11 Factor:NIST Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=274; Injection=18; RAW_FILE_NAME=GD_B4_018_NIST3672_RPN PT_B4_018_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_12 Factor:NIST Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=275; Injection=19; RAW_FILE_NAME=GD_B4_019_NIST3672_RPN PT_B4_019_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_13 Factor:NIST Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=362; Injection=17; RAW_FILE_NAME=GD_B5_017_NIST3672_RPN PT_B5_017_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_14 Factor:NIST Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=363; Injection=18; RAW_FILE_NAME=GD_B5_018_NIST3672_RPN PT_B5_018_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_15 Factor:NIST Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=364; Injection=19; RAW_FILE_NAME=GD_B5_019_NIST3672_RPN PT_B5_019_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_2 Factor:NIST Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=5; Injection=18; RAW_FILE_NAME=GD_B1_018_NIST3672_RPN PT_B1_018_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_3 Factor:NIST Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=6; Injection=19; RAW_FILE_NAME=GD_B1_019_NIST3672_RPN PT_B1_019_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_4 Factor:NIST Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=94; Injection=17; RAW_FILE_NAME=GD_B2_017_NIST3672_RPN PT_B2_017_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_5 Factor:NIST Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=95; Injection=18; RAW_FILE_NAME=GD_B2_018_NIST3672_RPN PT_B2_018_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_6 Factor:NIST Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=96; Injection=19; RAW_FILE_NAME=GD_B2_019_NIST3672_RPN PT_B2_019_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_7 Factor:NIST Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=184; Injection=17; RAW_FILE_NAME=GD_B3_017_NIST3672_RPN PT_B3_017_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_8 Factor:NIST Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=185; Injection=18; RAW_FILE_NAME=GD_B3_018_NIST3672_RPN PT_B3_018_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS NIST3672 NIST3672_9 Factor:NIST Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=186; Injection=19; RAW_FILE_NAME=GD_B3_019_NIST3672_RPN PT_B3_019_NIST3672_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_1 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=10; Injection=23; RAW_FILE_NAME=GD_B1_023_LQC_19S065_RPN PT_B1_023_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_10 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=100; Injection=23; RAW_FILE_NAME=GD_B2_023_LQC_19S065_RPN PT_B2_023_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_11 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=101; Injection=24; RAW_FILE_NAME=GD_B2_024_LQC_19S065_RPN PT_B2_024_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_12 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=112; Injection=35; RAW_FILE_NAME=GD_B2_035_LQC_19S065_RPN PT_B2_035_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_13 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=124; Injection=47; RAW_FILE_NAME=GD_B2_047_LQC_19S065_RPN PT_B2_047_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_14 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=135; Injection=58; RAW_FILE_NAME=GD_B2_058_LQC_19S065_RPN PT_B2_058_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_15 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=147; Injection=70; RAW_FILE_NAME=GD_B2_070_LQC_19S065_RPN PT_B2_070_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_16 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=158; Injection=81; RAW_FILE_NAME=GD_B2_081_LQC_19S065_RPN PT_B2_081_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_17 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=170; Injection=93; RAW_FILE_NAME=GD_B2_093_LQC_19S065_RPN PT_B2_093_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_18 Factor:PooledQC Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=176; Injection=99; RAW_FILE_NAME=GD_B2_099_LQC_19S065_RPN PT_B2_099_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_19 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=190; Injection=23; RAW_FILE_NAME=GD_B3_023_LQC_19S065_RPN PT_B3_023_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_2 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=11; Injection=24; RAW_FILE_NAME=GD_B1_024_LQC_19S065_RPN PT_B1_024_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_20 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=191; Injection=24; RAW_FILE_NAME=GD_B3_024_LQC_19S065_RPN PT_B3_024_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_21 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=202; Injection=35; RAW_FILE_NAME=GD_B3_035_LQC_19S065_RPN PT_B3_035_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_22 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=214; Injection=47; RAW_FILE_NAME=GD_B3_047_LQC_19S065_RPN PT_B3_047_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_23 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=225; Injection=58; RAW_FILE_NAME=GD_B3_058_LQC_19S065_RPN PT_B3_058_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_24 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=237; Injection=70; RAW_FILE_NAME=GD_B3_070_LQC_19S065_RPN PT_B3_070_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_25 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=248; Injection=81; RAW_FILE_NAME=GD_B3_081_LQC_19S065_RPN PT_B3_081_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_26 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=260; Injection=93; RAW_FILE_NAME=GD_B3_093_LQC_19S065_RPN PT_B3_093_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_27 Factor:PooledQC Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=265; Injection=98; RAW_FILE_NAME=GD_B3_098_LQC_19S065_RPN PT_B3_098_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_28 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=279; Injection=23; RAW_FILE_NAME=GD_B4_023_LQC_19S065_RPN PT_B4_023_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_29 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=280; Injection=24; RAW_FILE_NAME=GD_B4_024_LQC_19S065_RPN PT_B4_024_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_3 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=22; Injection=35; RAW_FILE_NAME=GD_B1_035_LQC_19S065_RPN PT_B1_035_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_30 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=291; Injection=35; RAW_FILE_NAME=GD_B4_035_LQC_19S065_RPN PT_B4_035_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_31 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=303; Injection=47; RAW_FILE_NAME=GD_B4_047_LQC_19S065_RPN PT_B4_047_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_32 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=314; Injection=58; RAW_FILE_NAME=GD_B4_058_LQC_19S065_RPN PT_B4_058_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_33 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=326; Injection=70; RAW_FILE_NAME=GD_B4_070_LQC_19S065_RPN PT_B4_070_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_34 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=337; Injection=81; RAW_FILE_NAME=GD_B4_081_LQC_19S065_RPN PT_B4_081_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_35 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=349; Injection=93; RAW_FILE_NAME=GD_B4_093_LQC_19S065_RPN PT_B4_093_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_36 Factor:PooledQC Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=354; Injection=98; RAW_FILE_NAME=GD_B4_098_LQC_19S065_RPN PT_B4_098_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_37 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=368; Injection=23; RAW_FILE_NAME=GD_B5_023_LQC_19S065_RPN PT_B5_023_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_38 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=369; Injection=24; RAW_FILE_NAME=GD_B5_024_LQC_19S065_RPN PT_B5_024_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_39 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=380; Injection=35; RAW_FILE_NAME=GD_B5_035_LQC_19S065_RPN PT_B5_035_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_4 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=34; Injection=47; RAW_FILE_NAME=GD_B1_047_LQC_19S065_RPN PT_B1_047_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_40 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=392; Injection=47; RAW_FILE_NAME=GD_B5_047_LQC_19S065_RPN PT_B5_047_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_41 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=403; Injection=58; RAW_FILE_NAME=GD_B5_058_LQC_19S065_RPN PT_B5_058_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_42 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=415; Injection=70; RAW_FILE_NAME=GD_B5_070_LQC_19S065_RPN PT_B5_070_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_43 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=426; Injection=81; RAW_FILE_NAME=GD_B5_081_LQC_19S065_RPN PT_B5_081_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_44 Factor:PooledQC Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=434; Injection=89; RAW_FILE_NAME=GD_B5_089_LQC_19S065_RPN PT_B5_089_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_5 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=45; Injection=58; RAW_FILE_NAME=GD_B1_058_LQC_19S065_RPN PT_B1_058_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_6 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=57; Injection=70; RAW_FILE_NAME=GD_B1_070_LQC_19S065_RPN PT_B1_070_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_7 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=68; Injection=81; RAW_FILE_NAME=GD_B1_081_LQC_19S065_RPN PT_B1_081_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_8 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=80; Injection=93; RAW_FILE_NAME=GD_B1_093_LQC_19S065_RPN PT_B1_093_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS LQC_19S065 LQC_19S065_9 Factor:PooledQC Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=86; Injection=99; RAW_FILE_NAME=GD_B1_099_LQC_19S065_RPN PT_B1_099_LQC_19S065_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0012 C-1RTA2-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0212; dilution_factorAcq=10.6; Order=12; Injection=25; RAW_FILE_NAME=GD_B1_025_19S065UR0012_RPN PT_B1_025_19S065UR0012_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0013 C-1RTB0-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01274; dilution_factorAcq=6.37; Order=13; Injection=26; RAW_FILE_NAME=GD_B1_026_19S065UR0013_RPN PT_B1_026_19S065UR0013_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0015 C-1RTD5-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02582; dilution_factorAcq=12.91; Order=14; Injection=27; RAW_FILE_NAME=GD_B1_027_19S065UR0015_RPN PT_B1_027_19S065UR0015_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0020 C-1RTJ2-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01995; dilution_factorAcq=9.975; Order=15; Injection=28; RAW_FILE_NAME=GD_B1_028_19S065UR0020_RPN PT_B1_028_19S065UR0020_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0033 C-1RTX1-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0241; dilution_factorAcq=12.05; Order=16; Injection=29; RAW_FILE_NAME=GD_B1_029_19S065UR0033_RPN PT_B1_029_19S065UR0033_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0034 C-1RTY9-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0247; dilution_factorAcq=12.35; Order=17; Injection=30; RAW_FILE_NAME=GD_B1_030_19S065UR0034_RPN PT_B1_030_19S065UR0034_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0037 C-1RU24-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0315; dilution_factorAcq=15.75; Order=18; Injection=31; RAW_FILE_NAME=GD_B1_031_19S065UR0037_RPN PT_B1_031_19S065UR0037_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0038 C-1RU32-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.03661; dilution_factorAcq=18.305; Order=19; Injection=32; RAW_FILE_NAME=GD_B1_032_19S065UR0038_RPN PT_B1_032_19S065UR0038_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0039 C-1RU40-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00803; dilution_factorAcq=4.015; Order=20; Injection=33; RAW_FILE_NAME=GD_B1_033_19S065UR0039_RPN PT_B1_033_19S065UR0039_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0041 C-1RU65-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01998; dilution_factorAcq=9.99; Order=21; Injection=34; RAW_FILE_NAME=GD_B1_034_19S065UR0041_RPN PT_B1_034_19S065UR0041_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0049 C-1RUE2-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00494; dilution_factorAcq=2.47; Order=23; Injection=36; RAW_FILE_NAME=GD_B1_036_19S065UR0049_RPN PT_B1_036_19S065UR0049_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0050 C-1RUF0-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02628; dilution_factorAcq=13.14; Order=24; Injection=37; RAW_FILE_NAME=GD_B1_037_19S065UR0050_RPN PT_B1_037_19S065UR0050_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0051 C-1RUG8-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00471; dilution_factorAcq=2.355; Order=25; Injection=38; RAW_FILE_NAME=GD_B1_038_19S065UR0051_RPN PT_B1_038_19S065UR0051_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0055 C-1RUL7-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02111; dilution_factorAcq=10.555; Order=26; Injection=39; RAW_FILE_NAME=GD_B1_039_19S065UR0055_RPN PT_B1_039_19S065UR0055_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0056 C-1RUM5-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02279; dilution_factorAcq=11.395; Order=27; Injection=40; RAW_FILE_NAME=GD_B1_040_19S065UR0056_RPN PT_B1_040_19S065UR0056_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0062 C-1RUT9-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01685; dilution_factorAcq=8.425; Order=28; Injection=41; RAW_FILE_NAME=GD_B1_041_19S065UR0062_RPN PT_B1_041_19S065UR0062_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0068 C-1RV07-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00758; dilution_factorAcq=3.79; Order=29; Injection=42; RAW_FILE_NAME=GD_B1_042_19S065UR0068_RPN PT_B1_042_19S065UR0068_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0069 C-1RV15-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01942; dilution_factorAcq=9.71; Order=30; Injection=43; RAW_FILE_NAME=GD_B1_043_19S065UR0069_RPN PT_B1_043_19S065UR0069_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0072 C-1RV49-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0215; dilution_factorAcq=10.75; Order=31; Injection=44; RAW_FILE_NAME=GD_B1_044_19S065UR0072_RPN PT_B1_044_19S065UR0072_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0077 C-1RV98-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00918; dilution_factorAcq=4.59; Order=32; Injection=45; RAW_FILE_NAME=GD_B1_045_19S065UR0077_RPN PT_B1_045_19S065UR0077_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0078 C-1RVA0-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.03082; dilution_factorAcq=15.41; Order=35; Injection=48; RAW_FILE_NAME=GD_B1_048_19S065UR0078_RPN PT_B1_048_19S065UR0078_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0079 C-1RVB8-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02207; dilution_factorAcq=11.035; Order=36; Injection=49; RAW_FILE_NAME=GD_B1_049_19S065UR0079_RPN PT_B1_049_19S065UR0079_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0084 C-1RVG7-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01314; dilution_factorAcq=6.57; Order=37; Injection=50; RAW_FILE_NAME=GD_B1_050_19S065UR0084_RPN PT_B1_050_19S065UR0084_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0090 C-1RVN1-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02272; dilution_factorAcq=11.36; Order=38; Injection=51; RAW_FILE_NAME=GD_B1_051_19S065UR0090_RPN PT_B1_051_19S065UR0090_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0101 C-1RW06-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02356; dilution_factorAcq=11.78; Order=39; Injection=52; RAW_FILE_NAME=GD_B1_052_19S065UR0101_RPN PT_B1_052_19S065UR0101_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0104 C-1RW30-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01255; dilution_factorAcq=6.275; Order=40; Injection=53; RAW_FILE_NAME=GD_B1_053_19S065UR0104_RPN PT_B1_053_19S065UR0104_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0108 C-1RW71-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02148; dilution_factorAcq=10.74; Order=41; Injection=54; RAW_FILE_NAME=GD_B1_054_19S065UR0108_RPN PT_B1_054_19S065UR0108_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0110 C-1RW97-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00926; dilution_factorAcq=4.63; Order=42; Injection=55; RAW_FILE_NAME=GD_B1_055_19S065UR0110_RPN PT_B1_055_19S065UR0110_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0111 C-1RWA9-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0152; dilution_factorAcq=7.6; Order=43; Injection=56; RAW_FILE_NAME=GD_B1_056_19S065UR0111_RPN PT_B1_056_19S065UR0111_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0114 C-1RWD2-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01885; dilution_factorAcq=9.425; Order=44; Injection=57; RAW_FILE_NAME=GD_B1_057_19S065UR0114_RPN PT_B1_057_19S065UR0114_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0116 C-1RWF8-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0088; dilution_factorAcq=4.4; Order=46; Injection=59; RAW_FILE_NAME=GD_B1_059_19S065UR0116_RPN PT_B1_059_19S065UR0116_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0119 C-1RWJ9-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01647; dilution_factorAcq=8.235; Order=47; Injection=60; RAW_FILE_NAME=GD_B1_060_19S065UR0119_RPN PT_B1_060_19S065UR0119_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0122 C-1RWM3-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01894; dilution_factorAcq=9.47; Order=48; Injection=61; RAW_FILE_NAME=GD_B1_061_19S065UR0122_RPN PT_B1_061_19S065UR0122_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0123 C-1RWN0-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02572; dilution_factorAcq=12.86; Order=49; Injection=62; RAW_FILE_NAME=GD_B1_062_19S065UR0123_RPN PT_B1_062_19S065UR0123_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0125 C-1RWQ4-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00748; dilution_factorAcq=3.74; Order=50; Injection=63; RAW_FILE_NAME=GD_B1_063_19S065UR0125_RPN PT_B1_063_19S065UR0125_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0128 C-1RWT7-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01947; dilution_factorAcq=9.735; Order=370; Injection=25; RAW_FILE_NAME=GD_B5_025_19S065UR0128_RPN PT_B5_025_19S065UR0128_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0129 C-1RWU5-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0206; dilution_factorAcq=10.3; Order=51; Injection=64; RAW_FILE_NAME=GD_B1_064_19S065UR0129_RPN PT_B1_064_19S065UR0129_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0131 C-1RWW1-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02449; dilution_factorAcq=12.245; Order=52; Injection=65; RAW_FILE_NAME=GD_B1_065_19S065UR0131_RPN PT_B1_065_19S065UR0131_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0140 C-1RX62-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01829; dilution_factorAcq=9.145; Order=371; Injection=26; RAW_FILE_NAME=GD_B5_026_19S065UR0140_RPN PT_B5_026_19S065UR0140_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0143 C-1RX96-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00753; dilution_factorAcq=3.765; Order=53; Injection=66; RAW_FILE_NAME=GD_B1_066_19S065UR0143_RPN PT_B1_066_19S065UR0143_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0146 C-1RXC4-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01471; dilution_factorAcq=7.355; Order=54; Injection=67; RAW_FILE_NAME=GD_B1_067_19S065UR0146_RPN PT_B1_067_19S065UR0146_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0148 C-1RXE9-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01361; dilution_factorAcq=6.805; Order=372; Injection=27; RAW_FILE_NAME=GD_B5_027_19S065UR0148_RPN PT_B5_027_19S065UR0148_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0150 C-1RXG5-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0075; dilution_factorAcq=3.75; Order=55; Injection=68; RAW_FILE_NAME=GD_B1_068_19S065UR0150_RPN PT_B1_068_19S065UR0150_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0159 C-1RXR1-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01522; dilution_factorAcq=7.61; Order=58; Injection=71; RAW_FILE_NAME=GD_B1_071_19S065UR0159_RPN PT_B1_071_19S065UR0159_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0160 C-1RXS8-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02358; dilution_factorAcq=11.79; Order=59; Injection=72; RAW_FILE_NAME=GD_B1_072_19S065UR0160_RPN PT_B1_072_19S065UR0160_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0161 C-1RXT6-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02093; dilution_factorAcq=10.465; Order=60; Injection=73; RAW_FILE_NAME=GD_B1_073_19S065UR0161_RPN PT_B1_073_19S065UR0161_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0164 C-1RXW0-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02501; dilution_factorAcq=12.505; Order=61; Injection=74; RAW_FILE_NAME=GD_B1_074_19S065UR0164_RPN PT_B1_074_19S065UR0164_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0172 C-1RY61-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01587; dilution_factorAcq=7.935; Order=62; Injection=75; RAW_FILE_NAME=GD_B1_075_19S065UR0172_RPN PT_B1_075_19S065UR0172_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0173 C-1RY79-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00495; dilution_factorAcq=2.475; Order=63; Injection=76; RAW_FILE_NAME=GD_B1_076_19S065UR0173_RPN PT_B1_076_19S065UR0173_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0174 C-1RY87-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02099; dilution_factorAcq=10.495; Order=64; Injection=77; RAW_FILE_NAME=GD_B1_077_19S065UR0174_RPN PT_B1_077_19S065UR0174_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0175 C-1RY95-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.024; dilution_factorAcq=12; Order=65; Injection=78; RAW_FILE_NAME=GD_B1_078_19S065UR0175_RPN PT_B1_078_19S065UR0175_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0183 C-1RYH2-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01088; dilution_factorAcq=5.44; Order=66; Injection=79; RAW_FILE_NAME=GD_B1_079_19S065UR0183_RPN PT_B1_079_19S065UR0183_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0186 C-1RYL3-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00783; dilution_factorAcq=3.915; Order=67; Injection=80; RAW_FILE_NAME=GD_B1_080_19S065UR0186_RPN PT_B1_080_19S065UR0186_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0188 C-1RYN8-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00649; dilution_factorAcq=3.245; Order=69; Injection=82; RAW_FILE_NAME=GD_B1_082_19S065UR0188_RPN PT_B1_082_19S065UR0188_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0190 C-1RYQ2-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01649; dilution_factorAcq=8.245; Order=70; Injection=83; RAW_FILE_NAME=GD_B1_083_19S065UR0190_RPN PT_B1_083_19S065UR0190_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0203 C-1RZ45-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01346; dilution_factorAcq=6.73; Order=102; Injection=25; RAW_FILE_NAME=GD_B2_025_19S065UR0203_RPN PT_B2_025_19S065UR0203_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0204 C-1RZ52-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.0231; dilution_factorAcq=11.55; Order=103; Injection=26; RAW_FILE_NAME=GD_B2_026_19S065UR0204_RPN PT_B2_026_19S065UR0204_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0205 C-1RZ60-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01997; dilution_factorAcq=9.985; Order=104; Injection=27; RAW_FILE_NAME=GD_B2_027_19S065UR0205_RPN PT_B2_027_19S065UR0205_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0207 C-1RZ86-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.0158; dilution_factorAcq=7.9; Order=71; Injection=84; RAW_FILE_NAME=GD_B1_084_19S065UR0207_RPN PT_B1_084_19S065UR0207_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0209 C-1RZA6-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01852; dilution_factorAcq=9.26; Order=72; Injection=85; RAW_FILE_NAME=GD_B1_085_19S065UR0209_RPN PT_B1_085_19S065UR0209_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0210 C-1RZB4-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00646; dilution_factorAcq=3.23; Order=73; Injection=86; RAW_FILE_NAME=GD_B1_086_19S065UR0210_RPN PT_B1_086_19S065UR0210_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0212 C-1RZD9-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01496; dilution_factorAcq=7.48; Order=105; Injection=28; RAW_FILE_NAME=GD_B2_028_19S065UR0212_RPN PT_B2_028_19S065UR0212_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0213 C-1RZE7-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00187; dilution_factorAcq=0.935; Order=106; Injection=29; RAW_FILE_NAME=GD_B2_029_19S065UR0213_RPN PT_B2_029_19S065UR0213_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0217 C-1RZJ6-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01329; dilution_factorAcq=6.645; Order=107; Injection=30; RAW_FILE_NAME=GD_B2_030_19S065UR0217_RPN PT_B2_030_19S065UR0217_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0218 C-1RZK4-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00741; dilution_factorAcq=3.705; Order=108; Injection=31; RAW_FILE_NAME=GD_B2_031_19S065UR0218_RPN PT_B2_031_19S065UR0218_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0221 C-1RZN7-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02345; dilution_factorAcq=11.725; Order=74; Injection=87; RAW_FILE_NAME=GD_B1_087_19S065UR0221_RPN PT_B1_087_19S065UR0221_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0222 C-1RZP3-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02035; dilution_factorAcq=10.175; Order=109; Injection=32; RAW_FILE_NAME=GD_B2_032_19S065UR0222_RPN PT_B2_032_19S065UR0222_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0227 C-1RZU2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00935; dilution_factorAcq=4.675; Order=110; Injection=33; RAW_FILE_NAME=GD_B2_033_19S065UR0227_RPN PT_B2_033_19S065UR0227_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0228 C-1RZV0-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01466; dilution_factorAcq=7.33; Order=75; Injection=88; RAW_FILE_NAME=GD_B1_088_19S065UR0228_RPN PT_B1_088_19S065UR0228_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0229 C-1RZW8-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00454; dilution_factorAcq=2.27; Order=111; Injection=34; RAW_FILE_NAME=GD_B2_034_19S065UR0229_RPN PT_B2_034_19S065UR0229_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0234 C-1S028-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02128; dilution_factorAcq=10.64; Order=76; Injection=89; RAW_FILE_NAME=GD_B1_089_19S065UR0234_RPN PT_B1_089_19S065UR0234_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0235 C-1S036-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01322; dilution_factorAcq=6.61; Order=77; Injection=90; RAW_FILE_NAME=GD_B1_090_19S065UR0235_RPN PT_B1_090_19S065UR0235_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0236 C-1S044-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01047; dilution_factorAcq=5.235; Order=78; Injection=91; RAW_FILE_NAME=GD_B1_091_19S065UR0236_RPN PT_B1_091_19S065UR0236_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0239 C-1S077-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01293; dilution_factorAcq=6.465; Order=113; Injection=36; RAW_FILE_NAME=GD_B2_036_19S065UR0239_RPN PT_B2_036_19S065UR0239_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0244 C-1S0C1-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00848; dilution_factorAcq=4.24; Order=114; Injection=37; RAW_FILE_NAME=GD_B2_037_19S065UR0244_RPN PT_B2_037_19S065UR0244_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0247 C-1S0F4-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.02078; dilution_factorAcq=10.39; Order=81; Injection=94; RAW_FILE_NAME=GD_B1_094_19S065UR0247_RPN PT_B1_094_19S065UR0247_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0251 C-1S0K3-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01234; dilution_factorAcq=6.17; Order=115; Injection=38; RAW_FILE_NAME=GD_B2_038_19S065UR0251_RPN PT_B2_038_19S065UR0251_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0261 C-1S0V9-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02153; dilution_factorAcq=10.765; Order=116; Injection=39; RAW_FILE_NAME=GD_B2_039_19S065UR0261_RPN PT_B2_039_19S065UR0261_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0262 C-1S0W7-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.0242; dilution_factorAcq=12.1; Order=117; Injection=40; RAW_FILE_NAME=GD_B2_040_19S065UR0262_RPN PT_B2_040_19S065UR0262_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0264 C-1S0Y2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01371; dilution_factorAcq=6.855; Order=118; Injection=41; RAW_FILE_NAME=GD_B2_041_19S065UR0264_RPN PT_B2_041_19S065UR0264_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0271 C-1S168-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.0223; dilution_factorAcq=11.15; Order=119; Injection=42; RAW_FILE_NAME=GD_B2_042_19S065UR0271_RPN PT_B2_042_19S065UR0271_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0273 C-1S184-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01701; dilution_factorAcq=8.505; Order=120; Injection=43; RAW_FILE_NAME=GD_B2_043_19S065UR0273_RPN PT_B2_043_19S065UR0273_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0275 C-1S1A4-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01359; dilution_factorAcq=6.795; Order=121; Injection=44; RAW_FILE_NAME=GD_B2_044_19S065UR0275_RPN PT_B2_044_19S065UR0275_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0276 C-1S1B2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00858; dilution_factorAcq=4.29; Order=122; Injection=45; RAW_FILE_NAME=GD_B2_045_19S065UR0276_RPN PT_B2_045_19S065UR0276_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0284 C-1S1K2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00781; dilution_factorAcq=3.905; Order=125; Injection=48; RAW_FILE_NAME=GD_B2_048_19S065UR0284_RPN PT_B2_048_19S065UR0284_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0292 C-1S1T2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02091; dilution_factorAcq=10.455; Order=126; Injection=49; RAW_FILE_NAME=GD_B2_049_19S065UR0292_RPN PT_B2_049_19S065UR0292_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0293 C-1S1U0-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01498; dilution_factorAcq=7.49; Order=127; Injection=50; RAW_FILE_NAME=GD_B2_050_19S065UR0293_RPN PT_B2_050_19S065UR0293_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0298 C-1S200-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00511; dilution_factorAcq=2.555; Order=128; Injection=51; RAW_FILE_NAME=GD_B2_051_19S065UR0298_RPN PT_B2_051_19S065UR0298_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0300 C-1S226-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00822; dilution_factorAcq=4.11; Order=129; Injection=52; RAW_FILE_NAME=GD_B2_052_19S065UR0300_RPN PT_B2_052_19S065UR0300_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0301 C-1S234-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00895; dilution_factorAcq=4.475; Order=130; Injection=53; RAW_FILE_NAME=GD_B2_053_19S065UR0301_RPN PT_B2_053_19S065UR0301_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0302 C-1S259-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00772; dilution_factorAcq=3.86; Order=131; Injection=54; RAW_FILE_NAME=GD_B2_054_19S065UR0302_RPN PT_B2_054_19S065UR0302_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0304 C-1S275-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00827; dilution_factorAcq=4.135; Order=132; Injection=55; RAW_FILE_NAME=GD_B2_055_19S065UR0304_RPN PT_B2_055_19S065UR0304_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0312 C-1S2F2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00713; dilution_factorAcq=3.565; Order=133; Injection=56; RAW_FILE_NAME=GD_B2_056_19S065UR0312_RPN PT_B2_056_19S065UR0312_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0314 C-1S2H8-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02036; dilution_factorAcq=10.18; Order=134; Injection=57; RAW_FILE_NAME=GD_B2_057_19S065UR0314_RPN PT_B2_057_19S065UR0314_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0318 C-1S2M7-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01096; dilution_factorAcq=5.48; Order=136; Injection=59; RAW_FILE_NAME=GD_B2_059_19S065UR0318_RPN PT_B2_059_19S065UR0318_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0321 C-1S2Q8-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01816; dilution_factorAcq=9.08; Order=137; Injection=60; RAW_FILE_NAME=GD_B2_060_19S065UR0321_RPN PT_B2_060_19S065UR0321_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0328 C-1S2X2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02284; dilution_factorAcq=11.42; Order=138; Injection=61; RAW_FILE_NAME=GD_B2_061_19S065UR0328_RPN PT_B2_061_19S065UR0328_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0329 C-1S2Y0-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01709; dilution_factorAcq=8.545; Order=139; Injection=62; RAW_FILE_NAME=GD_B2_062_19S065UR0329_RPN PT_B2_062_19S065UR0329_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0332 C-1S325-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00821; dilution_factorAcq=4.105; Order=140; Injection=63; RAW_FILE_NAME=GD_B2_063_19S065UR0332_RPN PT_B2_063_19S065UR0332_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0334 C-1S341-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00594; dilution_factorAcq=2.97; Order=141; Injection=64; RAW_FILE_NAME=GD_B2_064_19S065UR0334_RPN PT_B2_064_19S065UR0334_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0338 C-1S382-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01716; dilution_factorAcq=8.58; Order=142; Injection=65; RAW_FILE_NAME=GD_B2_065_19S065UR0338_RPN PT_B2_065_19S065UR0338_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0343 C-1S3D5-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01862; dilution_factorAcq=9.31; Order=143; Injection=66; RAW_FILE_NAME=GD_B2_066_19S065UR0343_RPN PT_B2_066_19S065UR0343_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0348 C-1S3J2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00841; dilution_factorAcq=4.205; Order=144; Injection=67; RAW_FILE_NAME=GD_B2_067_19S065UR0348_RPN PT_B2_067_19S065UR0348_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0351 C-1S3M6-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.0182; dilution_factorAcq=9.1; Order=145; Injection=68; RAW_FILE_NAME=GD_B2_068_19S065UR0351_RPN PT_B2_068_19S065UR0351_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0360 C-1S3W4-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00954; dilution_factorAcq=4.77; Order=148; Injection=71; RAW_FILE_NAME=GD_B2_071_19S065UR0360_RPN PT_B2_071_19S065UR0360_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0363 C-1S408-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01227; dilution_factorAcq=6.135; Order=149; Injection=72; RAW_FILE_NAME=GD_B2_072_19S065UR0363_RPN PT_B2_072_19S065UR0363_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0367 C-1S440-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01403; dilution_factorAcq=7.015; Order=150; Injection=73; RAW_FILE_NAME=GD_B2_073_19S065UR0367_RPN PT_B2_073_19S065UR0367_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0369 C-1S465-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.0076; dilution_factorAcq=3.8; Order=151; Injection=74; RAW_FILE_NAME=GD_B2_074_19S065UR0369_RPN PT_B2_074_19S065UR0369_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0370 C-1S473-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01727; dilution_factorAcq=8.635; Order=152; Injection=75; RAW_FILE_NAME=GD_B2_075_19S065UR0370_RPN PT_B2_075_19S065UR0370_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0371 C-1S481-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02284; dilution_factorAcq=11.42; Order=153; Injection=76; RAW_FILE_NAME=GD_B2_076_19S065UR0371_RPN PT_B2_076_19S065UR0371_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0374 C-1S4B9-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01895; dilution_factorAcq=9.475; Order=154; Injection=77; RAW_FILE_NAME=GD_B2_077_19S065UR0374_RPN PT_B2_077_19S065UR0374_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0384 C-1S4M5-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02591; dilution_factorAcq=12.955; Order=155; Injection=78; RAW_FILE_NAME=GD_B2_078_19S065UR0384_RPN PT_B2_078_19S065UR0384_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0386 C-1S4P8-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01594; dilution_factorAcq=7.97; Order=156; Injection=79; RAW_FILE_NAME=GD_B2_079_19S065UR0386_RPN PT_B2_079_19S065UR0386_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0389 C-1S4S1-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01266; dilution_factorAcq=6.33; Order=157; Injection=80; RAW_FILE_NAME=GD_B2_080_19S065UR0389_RPN PT_B2_080_19S065UR0389_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0391 C-1S4U7-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01011; dilution_factorAcq=5.055; Order=159; Injection=82; RAW_FILE_NAME=GD_B2_082_19S065UR0391_RPN PT_B2_082_19S065UR0391_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0392 C-1S4V5-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00998; dilution_factorAcq=4.99; Order=160; Injection=83; RAW_FILE_NAME=GD_B2_083_19S065UR0392_RPN PT_B2_083_19S065UR0392_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0396 C-1S507-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01269; dilution_factorAcq=6.345; Order=161; Injection=84; RAW_FILE_NAME=GD_B2_084_19S065UR0396_RPN PT_B2_084_19S065UR0396_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0397 C-1S515-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01874; dilution_factorAcq=9.37; Order=162; Injection=85; RAW_FILE_NAME=GD_B2_085_19S065UR0397_RPN PT_B2_085_19S065UR0397_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0398 C-1S523-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00957; dilution_factorAcq=4.785; Order=163; Injection=86; RAW_FILE_NAME=GD_B2_086_19S065UR0398_RPN PT_B2_086_19S065UR0398_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0400 C-1S549-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.02172; dilution_factorAcq=10.86; Order=164; Injection=87; RAW_FILE_NAME=GD_B2_087_19S065UR0400_RPN PT_B2_087_19S065UR0400_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0402 C-1S564-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00375; dilution_factorAcq=1.875; Order=165; Injection=88; RAW_FILE_NAME=GD_B2_088_19S065UR0402_RPN PT_B2_088_19S065UR0402_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0405 C-1S598-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01163; dilution_factorAcq=5.815; Order=166; Injection=89; RAW_FILE_NAME=GD_B2_089_19S065UR0405_RPN PT_B2_089_19S065UR0405_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0407 C-1S5B8-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01779; dilution_factorAcq=8.895; Order=192; Injection=25; RAW_FILE_NAME=GD_B3_025_19S065UR0407_RPN PT_B3_025_19S065UR0407_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0408 C-1S5C6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01539; dilution_factorAcq=7.695; Order=193; Injection=26; RAW_FILE_NAME=GD_B3_026_19S065UR0408_RPN PT_B3_026_19S065UR0408_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0413 C-1S5H5-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01256; dilution_factorAcq=6.28; Order=167; Injection=90; RAW_FILE_NAME=GD_B2_090_19S065UR0413_RPN PT_B2_090_19S065UR0413_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0419 C-1S5Q5-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00883; dilution_factorAcq=4.415; Order=194; Injection=27; RAW_FILE_NAME=GD_B3_027_19S065UR0419_RPN PT_B3_027_19S065UR0419_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0426 C-1S5X9-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01929; dilution_factorAcq=9.645; Order=168; Injection=91; RAW_FILE_NAME=GD_B2_091_19S065UR0426_RPN PT_B2_091_19S065UR0426_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0433 C-1S655-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01842; dilution_factorAcq=9.21; Order=171; Injection=94; RAW_FILE_NAME=GD_B2_094_19S065UR0433_RPN PT_B2_094_19S065UR0433_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0437 C-1S697-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01733; dilution_factorAcq=8.665; Order=172; Injection=95; RAW_FILE_NAME=GD_B2_095_19S065UR0437_RPN PT_B2_095_19S065UR0437_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0441 C-1S6D2-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.0297; dilution_factorAcq=14.85; Order=173; Injection=96; RAW_FILE_NAME=GD_B2_096_19S065UR0441_RPN PT_B2_096_19S065UR0441_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0442 C-1S6E0-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.00782; dilution_factorAcq=3.91; Order=174; Injection=97; RAW_FILE_NAME=GD_B2_097_19S065UR0442_RPN PT_B2_097_19S065UR0442_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0445 C-1S6H4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00945; dilution_factorAcq=4.725; Order=195; Injection=28; RAW_FILE_NAME=GD_B3_028_19S065UR0445_RPN PT_B3_028_19S065UR0445_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0447 C-1S6K7-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00784; dilution_factorAcq=3.92; Order=196; Injection=29; RAW_FILE_NAME=GD_B3_029_19S065UR0447_RPN PT_B3_029_19S065UR0447_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0451 C-1S6P6-U-00 Factor:sample Sample_Data:Batch=B2; SPG_inSample=1.01711; dilution_factorAcq=8.555; Order=175; Injection=98; RAW_FILE_NAME=GD_B2_098_19S065UR0451_RPN PT_B2_098_19S065UR0451_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0452 C-1S6Q4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01024; dilution_factorAcq=5.12; Order=197; Injection=30; RAW_FILE_NAME=GD_B3_030_19S065UR0452_RPN PT_B3_030_19S065UR0452_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0454 C-1S6S9-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01626; dilution_factorAcq=8.13; Order=198; Injection=31; RAW_FILE_NAME=GD_B3_031_19S065UR0454_RPN PT_B3_031_19S065UR0454_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0456 C-1S6U5-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02267; dilution_factorAcq=11.335; Order=199; Injection=32; RAW_FILE_NAME=GD_B3_032_19S065UR0456_RPN PT_B3_032_19S065UR0456_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0459 C-1S6X8-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00796; dilution_factorAcq=3.98; Order=200; Injection=33; RAW_FILE_NAME=GD_B3_033_19S065UR0459_RPN PT_B3_033_19S065UR0459_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0491 C-1S7W0-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02677; dilution_factorAcq=13.385; Order=201; Injection=34; RAW_FILE_NAME=GD_B3_034_19S065UR0491_RPN PT_B3_034_19S065UR0491_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0498 C-1S846-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01134; dilution_factorAcq=5.67; Order=203; Injection=36; RAW_FILE_NAME=GD_B3_036_19S065UR0498_RPN PT_B3_036_19S065UR0498_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0517 C-1S8P4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02524; dilution_factorAcq=12.62; Order=204; Injection=37; RAW_FILE_NAME=GD_B3_037_19S065UR0517_RPN PT_B3_037_19S065UR0517_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0519 C-1S8R0-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00514; dilution_factorAcq=2.57; Order=205; Injection=38; RAW_FILE_NAME=GD_B3_038_19S065UR0519_RPN PT_B3_038_19S065UR0519_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0522 C-1S8U3-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01732; dilution_factorAcq=8.66; Order=206; Injection=39; RAW_FILE_NAME=GD_B3_039_19S065UR0522_RPN PT_B3_039_19S065UR0522_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0523 C-1S8V1-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00969; dilution_factorAcq=4.845; Order=207; Injection=40; RAW_FILE_NAME=GD_B3_040_19S065UR0523_RPN PT_B3_040_19S065UR0523_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0534 C-1S978-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01039; dilution_factorAcq=5.195; Order=208; Injection=41; RAW_FILE_NAME=GD_B3_041_19S065UR0534_RPN PT_B3_041_19S065UR0534_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0537 C-1S9A6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01876; dilution_factorAcq=9.38; Order=209; Injection=42; RAW_FILE_NAME=GD_B3_042_19S065UR0537_RPN PT_B3_042_19S065UR0537_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0540 C-1S9D9-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.0147; dilution_factorAcq=7.35; Order=210; Injection=43; RAW_FILE_NAME=GD_B3_043_19S065UR0540_RPN PT_B3_043_19S065UR0540_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0542 C-1S9F5-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01407; dilution_factorAcq=7.035; Order=211; Injection=44; RAW_FILE_NAME=GD_B3_044_19S065UR0542_RPN PT_B3_044_19S065UR0542_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0545 C-1S9J6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01755; dilution_factorAcq=8.775; Order=212; Injection=45; RAW_FILE_NAME=GD_B3_045_19S065UR0545_RPN PT_B3_045_19S065UR0545_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0547 C-1S9L2-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01693; dilution_factorAcq=8.465; Order=215; Injection=48; RAW_FILE_NAME=GD_B3_048_19S065UR0547_RPN PT_B3_048_19S065UR0547_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0558 C-1S9X5-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00571; dilution_factorAcq=2.855; Order=216; Injection=49; RAW_FILE_NAME=GD_B3_049_19S065UR0558_RPN PT_B3_049_19S065UR0558_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0562 C-1SA21-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00328; dilution_factorAcq=1.64; Order=217; Injection=50; RAW_FILE_NAME=GD_B3_050_19S065UR0562_RPN PT_B3_050_19S065UR0562_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0568 C-1SA88-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00568; dilution_factorAcq=2.84; Order=218; Injection=51; RAW_FILE_NAME=GD_B3_051_19S065UR0568_RPN PT_B3_051_19S065UR0568_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0592 C-1SB04-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00605; dilution_factorAcq=3.025; Order=219; Injection=52; RAW_FILE_NAME=GD_B3_052_19S065UR0592_RPN PT_B3_052_19S065UR0592_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0595 C-1SB38-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00591; dilution_factorAcq=2.955; Order=220; Injection=53; RAW_FILE_NAME=GD_B3_053_19S065UR0595_RPN PT_B3_053_19S065UR0595_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0602 C-1SBA7-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02022; dilution_factorAcq=10.11; Order=373; Injection=28; RAW_FILE_NAME=GD_B5_028_19S065UR0602_RPN PT_B5_028_19S065UR0602_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0603 C-1SBB5-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02752; dilution_factorAcq=13.76; Order=221; Injection=54; RAW_FILE_NAME=GD_B3_054_19S065UR0603_RPN PT_B3_054_19S065UR0603_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0605 C-1SBD0-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01221; dilution_factorAcq=6.105; Order=222; Injection=55; RAW_FILE_NAME=GD_B3_055_19S065UR0605_RPN PT_B3_055_19S065UR0605_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0606 C-1SBE8-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.0172; dilution_factorAcq=8.6; Order=223; Injection=56; RAW_FILE_NAME=GD_B3_056_19S065UR0606_RPN PT_B3_056_19S065UR0606_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0610 C-1SBJ7-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02457; dilution_factorAcq=12.285; Order=224; Injection=57; RAW_FILE_NAME=GD_B3_057_19S065UR0610_RPN PT_B3_057_19S065UR0610_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0612 C-1SBL3-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00439; dilution_factorAcq=2.195; Order=226; Injection=59; RAW_FILE_NAME=GD_B3_059_19S065UR0612_RPN PT_B3_059_19S065UR0612_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0614 C-1SBN8-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02455; dilution_factorAcq=12.275; Order=227; Injection=60; RAW_FILE_NAME=GD_B3_060_19S065UR0614_RPN PT_B3_060_19S065UR0614_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0615 C-1SBP4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02186; dilution_factorAcq=10.93; Order=228; Injection=61; RAW_FILE_NAME=GD_B3_061_19S065UR0615_RPN PT_B3_061_19S065UR0615_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0616 C-1SBQ2-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01; dilution_factorAcq=5; Order=229; Injection=62; RAW_FILE_NAME=GD_B3_062_19S065UR0616_RPN PT_B3_062_19S065UR0616_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0617 C-1SBR0-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01033; dilution_factorAcq=5.165; Order=230; Injection=63; RAW_FILE_NAME=GD_B3_063_19S065UR0617_RPN PT_B3_063_19S065UR0617_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0620 C-1SBU3-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02212; dilution_factorAcq=11.06; Order=231; Injection=64; RAW_FILE_NAME=GD_B3_064_19S065UR0620_RPN PT_B3_064_19S065UR0620_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0623 C-1SBX6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01203; dilution_factorAcq=6.015; Order=232; Injection=65; RAW_FILE_NAME=GD_B3_065_19S065UR0623_RPN PT_B3_065_19S065UR0623_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0624 C-1SBY4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00857; dilution_factorAcq=4.285; Order=233; Injection=66; RAW_FILE_NAME=GD_B3_066_19S065UR0624_RPN PT_B3_066_19S065UR0624_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0629 C-1SC45-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00492; dilution_factorAcq=2.46; Order=234; Injection=67; RAW_FILE_NAME=GD_B3_067_19S065UR0629_RPN PT_B3_067_19S065UR0629_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0630 C-1SC52-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01145; dilution_factorAcq=5.725; Order=374; Injection=29; RAW_FILE_NAME=GD_B5_029_19S065UR0630_RPN PT_B5_029_19S065UR0630_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0631 C-1SC60-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01502; dilution_factorAcq=7.51; Order=235; Injection=68; RAW_FILE_NAME=GD_B3_068_19S065UR0631_RPN PT_B3_068_19S065UR0631_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0634 C-1SC94-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01564; dilution_factorAcq=7.82; Order=238; Injection=71; RAW_FILE_NAME=GD_B3_071_19S065UR0634_RPN PT_B3_071_19S065UR0634_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0635 C-1SCA6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00581; dilution_factorAcq=2.905; Order=239; Injection=72; RAW_FILE_NAME=GD_B3_072_19S065UR0635_RPN PT_B3_072_19S065UR0635_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0636 C-1SCB4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02976; dilution_factorAcq=14.88; Order=240; Injection=73; RAW_FILE_NAME=GD_B3_073_19S065UR0636_RPN PT_B3_073_19S065UR0636_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0638 C-1SCD9-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.0132; dilution_factorAcq=6.6; Order=241; Injection=74; RAW_FILE_NAME=GD_B3_074_19S065UR0638_RPN PT_B3_074_19S065UR0638_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0643 C-1SCJ6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.0192; dilution_factorAcq=9.6; Order=242; Injection=75; RAW_FILE_NAME=GD_B3_075_19S065UR0643_RPN PT_B3_075_19S065UR0643_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0644 C-1SCK4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02499; dilution_factorAcq=12.495; Order=243; Injection=76; RAW_FILE_NAME=GD_B3_076_19S065UR0644_RPN PT_B3_076_19S065UR0644_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0645 C-1SCL2-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01957; dilution_factorAcq=9.785; Order=244; Injection=77; RAW_FILE_NAME=GD_B3_077_19S065UR0645_RPN PT_B3_077_19S065UR0645_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0647 C-1SCN7-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02208; dilution_factorAcq=11.04; Order=375; Injection=30; RAW_FILE_NAME=GD_B5_030_19S065UR0647_RPN PT_B5_030_19S065UR0647_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0652 C-1SCT4-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01786; dilution_factorAcq=8.93; Order=376; Injection=31; RAW_FILE_NAME=GD_B5_031_19S065UR0652_RPN PT_B5_031_19S065UR0652_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0658 C-1SD02-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01549; dilution_factorAcq=7.745; Order=245; Injection=78; RAW_FILE_NAME=GD_B3_078_19S065UR0658_RPN PT_B3_078_19S065UR0658_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0661 C-1SD44-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.0091; dilution_factorAcq=4.55; Order=377; Injection=32; RAW_FILE_NAME=GD_B5_032_19S065UR0661_RPN PT_B5_032_19S065UR0661_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0662 C-1SD51-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01338; dilution_factorAcq=6.69; Order=246; Injection=79; RAW_FILE_NAME=GD_B3_079_19S065UR0662_RPN PT_B3_079_19S065UR0662_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0671 C-1SDE6-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.0136; dilution_factorAcq=6.8; Order=247; Injection=80; RAW_FILE_NAME=GD_B3_080_19S065UR0671_RPN PT_B3_080_19S065UR0671_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0673 C-1SDG2-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01365; dilution_factorAcq=6.825; Order=378; Injection=33; RAW_FILE_NAME=GD_B5_033_19S065UR0673_RPN PT_B5_033_19S065UR0673_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0687 C-1SDW7-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02339; dilution_factorAcq=11.695; Order=249; Injection=82; RAW_FILE_NAME=GD_B3_082_19S065UR0687_RPN PT_B3_082_19S065UR0687_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0689 C-1SDY2-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01346; dilution_factorAcq=6.73; Order=250; Injection=83; RAW_FILE_NAME=GD_B3_083_19S065UR0689_RPN PT_B3_083_19S065UR0689_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0693 C-1SE35-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01333; dilution_factorAcq=6.665; Order=251; Injection=84; RAW_FILE_NAME=GD_B3_084_19S065UR0693_RPN PT_B3_084_19S065UR0693_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0698 C-1SE84-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01429; dilution_factorAcq=7.145; Order=252; Injection=85; RAW_FILE_NAME=GD_B3_085_19S065UR0698_RPN PT_B3_085_19S065UR0698_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0704 C-1SEE5-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01609; dilution_factorAcq=8.045; Order=281; Injection=25; RAW_FILE_NAME=GD_B4_025_19S065UR0704_RPN PT_B4_025_19S065UR0704_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0706 C-1SEG1-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02112; dilution_factorAcq=10.56; Order=253; Injection=86; RAW_FILE_NAME=GD_B3_086_19S065UR0706_RPN PT_B3_086_19S065UR0706_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0707 C-1SEH9-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01526; dilution_factorAcq=7.63; Order=254; Injection=87; RAW_FILE_NAME=GD_B3_087_19S065UR0707_RPN PT_B3_087_19S065UR0707_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0715 C-1SES4-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01472; dilution_factorAcq=7.36; Order=255; Injection=88; RAW_FILE_NAME=GD_B3_088_19S065UR0715_RPN PT_B3_088_19S065UR0715_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0716 C-1SET2-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02516; dilution_factorAcq=12.58; Order=282; Injection=26; RAW_FILE_NAME=GD_B4_026_19S065UR0716_RPN PT_B4_026_19S065UR0716_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0724 C-1SF26-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01653; dilution_factorAcq=8.265; Order=283; Injection=27; RAW_FILE_NAME=GD_B4_027_19S065UR0724_RPN PT_B4_027_19S065UR0724_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0730 C-1SF83-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02132; dilution_factorAcq=10.66; Order=284; Injection=28; RAW_FILE_NAME=GD_B4_028_19S065UR0730_RPN PT_B4_028_19S065UR0730_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0735 C-1SFD6-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01996; dilution_factorAcq=9.98; Order=285; Injection=29; RAW_FILE_NAME=GD_B4_029_19S065UR0735_RPN PT_B4_029_19S065UR0735_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0738 C-1SFG0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02431; dilution_factorAcq=12.155; Order=286; Injection=30; RAW_FILE_NAME=GD_B4_030_19S065UR0738_RPN PT_B4_030_19S065UR0738_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0741 C-1SFK1-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00953; dilution_factorAcq=4.765; Order=287; Injection=31; RAW_FILE_NAME=GD_B4_031_19S065UR0741_RPN PT_B4_031_19S065UR0741_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0742 C-1SFL9-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0063; dilution_factorAcq=3.15; Order=288; Injection=32; RAW_FILE_NAME=GD_B4_032_19S065UR0742_RPN PT_B4_032_19S065UR0742_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0743 C-1SFM7-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02328; dilution_factorAcq=11.64; Order=256; Injection=89; RAW_FILE_NAME=GD_B3_089_19S065UR0743_RPN PT_B3_089_19S065UR0743_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0745 C-1SFP0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01424; dilution_factorAcq=7.12; Order=289; Injection=33; RAW_FILE_NAME=GD_B4_033_19S065UR0745_RPN PT_B4_033_19S065UR0745_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0746 C-1SFQ8-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02493; dilution_factorAcq=12.465; Order=257; Injection=90; RAW_FILE_NAME=GD_B3_090_19S065UR0746_RPN PT_B3_090_19S065UR0746_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0749 C-1SFT1-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00864; dilution_factorAcq=4.32; Order=258; Injection=91; RAW_FILE_NAME=GD_B3_091_19S065UR0749_RPN PT_B3_091_19S065UR0749_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0754 C-1SFY0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01065; dilution_factorAcq=5.325; Order=290; Injection=34; RAW_FILE_NAME=GD_B4_034_19S065UR0754_RPN PT_B4_034_19S065UR0754_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0761 C-1SG66-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02107; dilution_factorAcq=10.535; Order=292; Injection=36; RAW_FILE_NAME=GD_B4_036_19S065UR0761_RPN PT_B4_036_19S065UR0761_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0762 C-1SG74-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01881; dilution_factorAcq=9.405; Order=293; Injection=37; RAW_FILE_NAME=GD_B4_037_19S065UR0762_RPN PT_B4_037_19S065UR0762_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0772 C-1SGH7-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01678; dilution_factorAcq=8.39; Order=294; Injection=38; RAW_FILE_NAME=GD_B4_038_19S065UR0772_RPN PT_B4_038_19S065UR0772_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0774 C-1SGK0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02635; dilution_factorAcq=13.175; Order=295; Injection=39; RAW_FILE_NAME=GD_B4_039_19S065UR0774_RPN PT_B4_039_19S065UR0774_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0775 C-1SGL8-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.03236; dilution_factorAcq=16.18; Order=296; Injection=40; RAW_FILE_NAME=GD_B4_040_19S065UR0775_RPN PT_B4_040_19S065UR0775_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0782 C-1SGT0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01342; dilution_factorAcq=6.71; Order=297; Injection=41; RAW_FILE_NAME=GD_B4_041_19S065UR0782_RPN PT_B4_041_19S065UR0782_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0794 C-1SH65-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02317; dilution_factorAcq=11.585; Order=298; Injection=42; RAW_FILE_NAME=GD_B4_042_19S065UR0794_RPN PT_B4_042_19S065UR0794_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0799 C-1SHB9-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00671; dilution_factorAcq=3.355; Order=299; Injection=43; RAW_FILE_NAME=GD_B4_043_19S065UR0799_RPN PT_B4_043_19S065UR0799_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0804 C-1SHG8-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01946; dilution_factorAcq=9.73; Order=300; Injection=44; RAW_FILE_NAME=GD_B4_044_19S065UR0804_RPN PT_B4_044_19S065UR0804_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0813 C-1SHR4-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01206; dilution_factorAcq=6.03; Order=301; Injection=45; RAW_FILE_NAME=GD_B4_045_19S065UR0813_RPN PT_B4_045_19S065UR0813_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0817 C-1SHV5-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02427; dilution_factorAcq=12.135; Order=304; Injection=48; RAW_FILE_NAME=GD_B4_048_19S065UR0817_RPN PT_B4_048_19S065UR0817_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0819 C-1SHX0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01081; dilution_factorAcq=5.405; Order=305; Injection=49; RAW_FILE_NAME=GD_B4_049_19S065UR0819_RPN PT_B4_049_19S065UR0819_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0820 C-1SHY8-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01483; dilution_factorAcq=7.415; Order=306; Injection=50; RAW_FILE_NAME=GD_B4_050_19S065UR0820_RPN PT_B4_050_19S065UR0820_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0826 C-1SJ55-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02647; dilution_factorAcq=13.235; Order=307; Injection=51; RAW_FILE_NAME=GD_B4_051_19S065UR0826_RPN PT_B4_051_19S065UR0826_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0827 C-1SJ63-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0179; dilution_factorAcq=8.95; Order=308; Injection=52; RAW_FILE_NAME=GD_B4_052_19S065UR0827_RPN PT_B4_052_19S065UR0827_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0838 C-1SJH4-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02731; dilution_factorAcq=13.655; Order=309; Injection=53; RAW_FILE_NAME=GD_B4_053_19S065UR0838_RPN PT_B4_053_19S065UR0838_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0842 C-1SJM3-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00461; dilution_factorAcq=2.305; Order=310; Injection=54; RAW_FILE_NAME=GD_B4_054_19S065UR0842_RPN PT_B4_054_19S065UR0842_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0848 C-1SJT7-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01765; dilution_factorAcq=8.825; Order=311; Injection=55; RAW_FILE_NAME=GD_B4_055_19S065UR0848_RPN PT_B4_055_19S065UR0848_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0851 C-1SJW1-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02108; dilution_factorAcq=10.54; Order=312; Injection=56; RAW_FILE_NAME=GD_B4_056_19S065UR0851_RPN PT_B4_056_19S065UR0851_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0857 C-1SK39-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00827; dilution_factorAcq=4.135; Order=313; Injection=57; RAW_FILE_NAME=GD_B4_057_19S065UR0857_RPN PT_B4_057_19S065UR0857_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0868 C-1SKE9-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00386; dilution_factorAcq=1.93; Order=315; Injection=59; RAW_FILE_NAME=GD_B4_059_19S065UR0868_RPN PT_B4_059_19S065UR0868_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0870 C-1SKG5-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02246; dilution_factorAcq=11.23; Order=316; Injection=60; RAW_FILE_NAME=GD_B4_060_19S065UR0870_RPN PT_B4_060_19S065UR0870_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0872 C-1SKJ8-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0174; dilution_factorAcq=8.7; Order=317; Injection=61; RAW_FILE_NAME=GD_B4_061_19S065UR0872_RPN PT_B4_061_19S065UR0872_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0878 C-1SKQ3-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0102; dilution_factorAcq=5.1; Order=318; Injection=62; RAW_FILE_NAME=GD_B4_062_19S065UR0878_RPN PT_B4_062_19S065UR0878_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0884 C-1SKW0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01308; dilution_factorAcq=6.54; Order=319; Injection=63; RAW_FILE_NAME=GD_B4_063_19S065UR0884_RPN PT_B4_063_19S065UR0884_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0888 C-1SL12-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02078; dilution_factorAcq=10.39; Order=320; Injection=64; RAW_FILE_NAME=GD_B4_064_19S065UR0888_RPN PT_B4_064_19S065UR0888_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0890 C-1SL38-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01428; dilution_factorAcq=7.14; Order=321; Injection=65; RAW_FILE_NAME=GD_B4_065_19S065UR0890_RPN PT_B4_065_19S065UR0890_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0891 C-1SL46-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02044; dilution_factorAcq=10.22; Order=322; Injection=66; RAW_FILE_NAME=GD_B4_066_19S065UR0891_RPN PT_B4_066_19S065UR0891_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0893 C-1SL61-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01901; dilution_factorAcq=9.505; Order=323; Injection=67; RAW_FILE_NAME=GD_B4_067_19S065UR0893_RPN PT_B4_067_19S065UR0893_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0897 C-1SLA7-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01877; dilution_factorAcq=9.385; Order=324; Injection=68; RAW_FILE_NAME=GD_B4_068_19S065UR0897_RPN PT_B4_068_19S065UR0897_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0898 C-1SLB5-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00402; dilution_factorAcq=2.01; Order=327; Injection=71; RAW_FILE_NAME=GD_B4_071_19S065UR0898_RPN PT_B4_071_19S065UR0898_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0899 C-1SLC3-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01561; dilution_factorAcq=7.805; Order=328; Injection=72; RAW_FILE_NAME=GD_B4_072_19S065UR0899_RPN PT_B4_072_19S065UR0899_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0900 C-1SLD0-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01637; dilution_factorAcq=8.185; Order=329; Injection=73; RAW_FILE_NAME=GD_B4_073_19S065UR0900_RPN PT_B4_073_19S065UR0900_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0907 C-1SLL3-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01579; dilution_factorAcq=7.895; Order=330; Injection=74; RAW_FILE_NAME=GD_B4_074_19S065UR0907_RPN PT_B4_074_19S065UR0907_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0908 C-1SLM1-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01777; dilution_factorAcq=8.885; Order=331; Injection=75; RAW_FILE_NAME=GD_B4_075_19S065UR0908_RPN PT_B4_075_19S065UR0908_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0909 C-1SLN8-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02093; dilution_factorAcq=10.465; Order=332; Injection=76; RAW_FILE_NAME=GD_B4_076_19S065UR0909_RPN PT_B4_076_19S065UR0909_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0911 C-1SLQ2-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01501; dilution_factorAcq=7.505; Order=333; Injection=77; RAW_FILE_NAME=GD_B4_077_19S065UR0911_RPN PT_B4_077_19S065UR0911_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0914 C-1SLT5-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00887; dilution_factorAcq=4.435; Order=334; Injection=78; RAW_FILE_NAME=GD_B4_078_19S065UR0914_RPN PT_B4_078_19S065UR0914_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0922 C-1SM29-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00827; dilution_factorAcq=4.135; Order=335; Injection=79; RAW_FILE_NAME=GD_B4_079_19S065UR0922_RPN PT_B4_079_19S065UR0922_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0923 C-1SM37-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01412; dilution_factorAcq=7.06; Order=336; Injection=80; RAW_FILE_NAME=GD_B4_080_19S065UR0923_RPN PT_B4_080_19S065UR0923_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0926 C-1SM60-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00736; dilution_factorAcq=3.68; Order=338; Injection=82; RAW_FILE_NAME=GD_B4_082_19S065UR0926_RPN PT_B4_082_19S065UR0926_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0928 C-1SM86-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02692; dilution_factorAcq=13.46; Order=339; Injection=83; RAW_FILE_NAME=GD_B4_083_19S065UR0928_RPN PT_B4_083_19S065UR0928_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0932 C-1SMC2-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00929; dilution_factorAcq=4.645; Order=340; Injection=84; RAW_FILE_NAME=GD_B4_084_19S065UR0932_RPN PT_B4_084_19S065UR0932_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0935 C-1SMF5-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.01198; dilution_factorAcq=5.99; Order=341; Injection=85; RAW_FILE_NAME=GD_B4_085_19S065UR0935_RPN PT_B4_085_19S065UR0935_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0937 C-1SMH1-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02607; dilution_factorAcq=13.035; Order=342; Injection=86; RAW_FILE_NAME=GD_B4_086_19S065UR0937_RPN PT_B4_086_19S065UR0937_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0938 C-1SMJ6-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00743; dilution_factorAcq=3.715; Order=343; Injection=87; RAW_FILE_NAME=GD_B4_087_19S065UR0938_RPN PT_B4_087_19S065UR0938_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0939 C-1SMK4-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.00478; dilution_factorAcq=2.39; Order=344; Injection=88; RAW_FILE_NAME=GD_B4_088_19S065UR0939_RPN PT_B4_088_19S065UR0939_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0942 C-1SMN7-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0175; dilution_factorAcq=8.75; Order=345; Injection=89; RAW_FILE_NAME=GD_B4_089_19S065UR0942_RPN PT_B4_089_19S065UR0942_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0943 C-1SMP3-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0104; dilution_factorAcq=5.2; Order=346; Injection=90; RAW_FILE_NAME=GD_B4_090_19S065UR0943_RPN PT_B4_090_19S065UR0943_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0944 C-1SMQ1-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.02012; dilution_factorAcq=10.06; Order=347; Injection=91; RAW_FILE_NAME=GD_B4_091_19S065UR0944_RPN PT_B4_091_19S065UR0944_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0946 C-1SMS6-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0079; dilution_factorAcq=3.95; Order=350; Injection=94; RAW_FILE_NAME=GD_B4_094_19S065UR0946_RPN PT_B4_094_19S065UR0946_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0947 C-1SMT4-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0207; dilution_factorAcq=10.35; Order=351; Injection=95; RAW_FILE_NAME=GD_B4_095_19S065UR0947_RPN PT_B4_095_19S065UR0947_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0948 C-1SMU2-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0195; dilution_factorAcq=9.75; Order=352; Injection=96; RAW_FILE_NAME=GD_B4_096_19S065UR0948_RPN PT_B4_096_19S065UR0948_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0950 C-1SMW8-U-00 Factor:sample Sample_Data:Batch=B4; SPG_inSample=1.0257; dilution_factorAcq=12.85; Order=353; Injection=97; RAW_FILE_NAME=GD_B4_097_19S065UR0950_RPN PT_B4_097_19S065UR0950_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0960 C-1SN77-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00855; dilution_factorAcq=4.275; Order=379; Injection=34; RAW_FILE_NAME=GD_B5_034_19S065UR0960_RPN PT_B5_034_19S065UR0960_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0967 C-1SNE6-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01095; dilution_factorAcq=5.475; Order=381; Injection=36; RAW_FILE_NAME=GD_B5_036_19S065UR0967_RPN PT_B5_036_19S065UR0967_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0968 C-1SNF4-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01619; dilution_factorAcq=8.095; Order=382; Injection=37; RAW_FILE_NAME=GD_B5_037_19S065UR0968_RPN PT_B5_037_19S065UR0968_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0969 C-1SNG2-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02673; dilution_factorAcq=13.365; Order=383; Injection=38; RAW_FILE_NAME=GD_B5_038_19S065UR0969_RPN PT_B5_038_19S065UR0969_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0971 C-1SNJ5-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.015; dilution_factorAcq=7.5; Order=384; Injection=39; RAW_FILE_NAME=GD_B5_039_19S065UR0971_RPN PT_B5_039_19S065UR0971_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0976 C-1SNP2-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00958; dilution_factorAcq=4.79; Order=385; Injection=40; RAW_FILE_NAME=GD_B5_040_19S065UR0976_RPN PT_B5_040_19S065UR0976_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0987 C-1SP18-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01949; dilution_factorAcq=9.745; Order=386; Injection=41; RAW_FILE_NAME=GD_B5_041_19S065UR0987_RPN PT_B5_041_19S065UR0987_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0993 C-1SP75-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02443; dilution_factorAcq=12.215; Order=387; Injection=42; RAW_FILE_NAME=GD_B5_042_19S065UR0993_RPN PT_B5_042_19S065UR0993_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR0999 C-1SPE4-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.03447; dilution_factorAcq=17.235; Order=388; Injection=43; RAW_FILE_NAME=GD_B5_043_19S065UR0999_RPN PT_B5_043_19S065UR0999_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1014 C-1SPV7-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02713; dilution_factorAcq=13.565; Order=389; Injection=44; RAW_FILE_NAME=GD_B5_044_19S065UR1014_RPN PT_B5_044_19S065UR1014_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1018 C-1SQ09-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01665; dilution_factorAcq=8.325; Order=390; Injection=45; RAW_FILE_NAME=GD_B5_045_19S065UR1018_RPN PT_B5_045_19S065UR1018_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1026 C-1SQ82-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01209; dilution_factorAcq=6.045; Order=393; Injection=48; RAW_FILE_NAME=GD_B5_048_19S065UR1026_RPN PT_B5_048_19S065UR1026_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1027 C-1SQ90-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.00972; dilution_factorAcq=4.86; Order=261; Injection=94; RAW_FILE_NAME=GD_B3_094_19S065UR1027_RPN PT_B3_094_19S065UR1027_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1028 C-1SQA2-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01703; dilution_factorAcq=8.515; Order=394; Injection=49; RAW_FILE_NAME=GD_B5_049_19S065UR1028_RPN PT_B5_049_19S065UR1028_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1030 C-1SQC8-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01736; dilution_factorAcq=8.68; Order=262; Injection=95; RAW_FILE_NAME=GD_B3_095_19S065UR1030_RPN PT_B3_095_19S065UR1030_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1031 C-1SQD5-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.01799; dilution_factorAcq=8.995; Order=263; Injection=96; RAW_FILE_NAME=GD_B3_096_19S065UR1031_RPN PT_B3_096_19S065UR1031_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1032 C-1SQE3-U-00 Factor:sample Sample_Data:Batch=B3; SPG_inSample=1.02212; dilution_factorAcq=11.06; Order=264; Injection=97; RAW_FILE_NAME=GD_B3_097_19S065UR1032_RPN PT_B3_097_19S065UR1032_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1033 C-1SQF1-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00407; dilution_factorAcq=2.035; Order=395; Injection=50; RAW_FILE_NAME=GD_B5_050_19S065UR1033_RPN PT_B5_050_19S065UR1033_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1038 C-1SQL8-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01771; dilution_factorAcq=8.855; Order=396; Injection=51; RAW_FILE_NAME=GD_B5_051_19S065UR1038_RPN PT_B5_051_19S065UR1038_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1041 C-1SQP9-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00454; dilution_factorAcq=2.27; Order=397; Injection=52; RAW_FILE_NAME=GD_B5_052_19S065UR1041_RPN PT_B5_052_19S065UR1041_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1043 C-1SQR5-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01083; dilution_factorAcq=5.415; Order=398; Injection=53; RAW_FILE_NAME=GD_B5_053_19S065UR1043_RPN PT_B5_053_19S065UR1043_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1044 C-1SQS2-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01792; dilution_factorAcq=8.96; Order=399; Injection=54; RAW_FILE_NAME=GD_B5_054_19S065UR1044_RPN PT_B5_054_19S065UR1044_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1052 C-1SR16-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.0063; dilution_factorAcq=3.15; Order=400; Injection=55; RAW_FILE_NAME=GD_B5_055_19S065UR1052_RPN PT_B5_055_19S065UR1052_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1055 C-1SR40-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02933; dilution_factorAcq=14.665; Order=401; Injection=56; RAW_FILE_NAME=GD_B5_056_19S065UR1055_RPN PT_B5_056_19S065UR1055_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1066 C-1SRF0-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01365; dilution_factorAcq=6.825; Order=402; Injection=57; RAW_FILE_NAME=GD_B5_057_19S065UR1066_RPN PT_B5_057_19S065UR1066_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1070 C-1SRK9-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01459; dilution_factorAcq=7.295; Order=404; Injection=59; RAW_FILE_NAME=GD_B5_059_19S065UR1070_RPN PT_B5_059_19S065UR1070_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1074 C-1SRP8-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02119; dilution_factorAcq=10.595; Order=405; Injection=60; RAW_FILE_NAME=GD_B5_060_19S065UR1074_RPN PT_B5_060_19S065UR1074_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1077 C-1SRS1-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00988; dilution_factorAcq=4.94; Order=406; Injection=61; RAW_FILE_NAME=GD_B5_061_19S065UR1077_RPN PT_B5_061_19S065UR1077_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1087 C-1SS31-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02448; dilution_factorAcq=12.24; Order=407; Injection=62; RAW_FILE_NAME=GD_B5_062_19S065UR1087_RPN PT_B5_062_19S065UR1087_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1088 C-1SS49-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00556; dilution_factorAcq=2.78; Order=408; Injection=63; RAW_FILE_NAME=GD_B5_063_19S065UR1088_RPN PT_B5_063_19S065UR1088_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1089 C-1SS56-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01597; dilution_factorAcq=7.985; Order=409; Injection=64; RAW_FILE_NAME=GD_B5_064_19S065UR1089_RPN PT_B5_064_19S065UR1089_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1091 C-1SS72-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02459; dilution_factorAcq=12.295; Order=410; Injection=65; RAW_FILE_NAME=GD_B5_065_19S065UR1091_RPN PT_B5_065_19S065UR1091_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1097 C-1SSD3-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01297; dilution_factorAcq=6.485; Order=411; Injection=66; RAW_FILE_NAME=GD_B5_066_19S065UR1097_RPN PT_B5_066_19S065UR1097_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1098 C-1SSE1-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00387; dilution_factorAcq=1.935; Order=412; Injection=67; RAW_FILE_NAME=GD_B5_067_19S065UR1098_RPN PT_B5_067_19S065UR1098_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1101 C-1SSH5-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01468; dilution_factorAcq=7.34; Order=413; Injection=68; RAW_FILE_NAME=GD_B5_068_19S065UR1101_RPN PT_B5_068_19S065UR1101_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1103 C-1SSK8-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00609; dilution_factorAcq=3.045; Order=416; Injection=71; RAW_FILE_NAME=GD_B5_071_19S065UR1103_RPN PT_B5_071_19S065UR1103_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1104 C-1SSL6-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00538; dilution_factorAcq=2.69; Order=82; Injection=95; RAW_FILE_NAME=GD_B1_095_19S065UR1104_RPN PT_B1_095_19S065UR1104_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1105 C-1SSM4-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01491; dilution_factorAcq=7.455; Order=417; Injection=72; RAW_FILE_NAME=GD_B5_072_19S065UR1105_RPN PT_B5_072_19S065UR1105_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1106 C-1SSN1-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00618; dilution_factorAcq=3.09; Order=83; Injection=96; RAW_FILE_NAME=GD_B1_096_19S065UR1106_RPN PT_B1_096_19S065UR1106_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1108 C-1SSQ5-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00295; dilution_factorAcq=1.475; Order=418; Injection=73; RAW_FILE_NAME=GD_B5_073_19S065UR1108_RPN PT_B5_073_19S065UR1108_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1109 C-1SSR3-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.0105; dilution_factorAcq=5.25; Order=419; Injection=74; RAW_FILE_NAME=GD_B5_074_19S065UR1109_RPN PT_B5_074_19S065UR1109_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1111 C-1SST8-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.0139; dilution_factorAcq=6.95; Order=420; Injection=75; RAW_FILE_NAME=GD_B5_075_19S065UR1111_RPN PT_B5_075_19S065UR1111_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1122 C-1ST63-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01991; dilution_factorAcq=9.955; Order=421; Injection=76; RAW_FILE_NAME=GD_B5_076_19S065UR1122_RPN PT_B5_076_19S065UR1122_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1123 C-1ST71-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02038; dilution_factorAcq=10.19; Order=422; Injection=77; RAW_FILE_NAME=GD_B5_077_19S065UR1123_RPN PT_B5_077_19S065UR1123_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1126 C-1STA9-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.00566; dilution_factorAcq=2.83; Order=84; Injection=97; RAW_FILE_NAME=GD_B1_097_19S065UR1126_RPN PT_B1_097_19S065UR1126_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1130 C-1STE0-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02596; dilution_factorAcq=12.98; Order=423; Injection=78; RAW_FILE_NAME=GD_B5_078_19S065UR1130_RPN PT_B5_078_19S065UR1130_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1135 C-1STK7-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01173; dilution_factorAcq=5.865; Order=424; Injection=79; RAW_FILE_NAME=GD_B5_079_19S065UR1135_RPN PT_B5_079_19S065UR1135_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1136 C-1STL5-U-00 Factor:sample Sample_Data:Batch=B1; SPG_inSample=1.01628; dilution_factorAcq=8.14; Order=85; Injection=98; RAW_FILE_NAME=GD_B1_098_19S065UR1136_RPN PT_B1_098_19S065UR1136_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1137 C-1STM3-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00602; dilution_factorAcq=3.01; Order=425; Injection=80; RAW_FILE_NAME=GD_B5_080_19S065UR1137_RPN PT_B5_080_19S065UR1137_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1148 C-1STY6-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02058; dilution_factorAcq=10.29; Order=427; Injection=82; RAW_FILE_NAME=GD_B5_082_19S065UR1148_RPN PT_B5_082_19S065UR1148_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1151 C-1SU21-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02165; dilution_factorAcq=10.825; Order=428; Injection=83; RAW_FILE_NAME=GD_B5_083_19S065UR1151_RPN PT_B5_083_19S065UR1151_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1155 C-1SU62-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.01795; dilution_factorAcq=8.975; Order=429; Injection=84; RAW_FILE_NAME=GD_B5_084_19S065UR1155_RPN PT_B5_084_19S065UR1155_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1159 C-1SUA8-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02262; dilution_factorAcq=11.31; Order=430; Injection=85; RAW_FILE_NAME=GD_B5_085_19S065UR1159_RPN PT_B5_085_19S065UR1159_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1160 C-1SUB6-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00719; dilution_factorAcq=3.595; Order=431; Injection=86; RAW_FILE_NAME=GD_B5_086_19S065UR1160_RPN PT_B5_086_19S065UR1160_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1163 C-1SUE9-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.02315; dilution_factorAcq=11.575; Order=432; Injection=87; RAW_FILE_NAME=GD_B5_087_19S065UR1163_RPN PT_B5_087_19S065UR1163_ZHP SUBJECT_SAMPLE_FACTORS 19S065UR1172 C-1SUP5-U-00 Factor:sample Sample_Data:Batch=B5; SPG_inSample=1.00515; dilution_factorAcq=2.575; Order=433; Injection=88; RAW_FILE_NAME=GD_B5_088_19S065UR1172_RPN PT_B5_088_19S065UR1172_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_1 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=7; Injection=20; RAW_FILE_NAME=GD_B1_020_UT_19S065_RPN PT_B1_020_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_10 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=99; Injection=22; RAW_FILE_NAME=GD_B2_022_UT_19S065_RPN PT_B2_022_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_11 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=123; Injection=46; RAW_FILE_NAME=GD_B2_046_UT_19S065_RPN PT_B2_046_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_12 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=146; Injection=69; RAW_FILE_NAME=GD_B2_069_UT_19S065_RPN PT_B2_069_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_13 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=169; Injection=92; RAW_FILE_NAME=GD_B2_092_UT_19S065_RPN PT_B2_092_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_14 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=177; Injection=100; RAW_FILE_NAME=GD_B2_100_UT_19S065_RPN PT_B2_100_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_15 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=187; Injection=20; RAW_FILE_NAME=GD_B3_020_UT_19S065_RPN PT_B3_020_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_16 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=188; Injection=21; RAW_FILE_NAME=GD_B3_021_UT_19S065_RPN PT_B3_021_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_17 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=189; Injection=22; RAW_FILE_NAME=GD_B3_022_UT_19S065_RPN PT_B3_022_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_18 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=213; Injection=46; RAW_FILE_NAME=GD_B3_046_UT_19S065_RPN PT_B3_046_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_19 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=236; Injection=69; RAW_FILE_NAME=GD_B3_069_UT_19S065_RPN PT_B3_069_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_2 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=8; Injection=21; RAW_FILE_NAME=GD_B1_021_UT_19S065_RPN PT_B1_021_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_20 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=259; Injection=92; RAW_FILE_NAME=GD_B3_092_UT_19S065_RPN PT_B3_092_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_21 Factor:UT Pool Sample_Data:Batch=B3; SPG_inSample=-; dilution_factorAcq=-; Order=266; Injection=99; RAW_FILE_NAME=GD_B3_099_UT_19S065_RPN PT_B3_099_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_22 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=276; Injection=20; RAW_FILE_NAME=GD_B4_020_UT_19S065_RPN PT_B4_020_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_23 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=277; Injection=21; RAW_FILE_NAME=GD_B4_021_UT_19S065_RPN PT_B4_021_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_24 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=278; Injection=22; RAW_FILE_NAME=GD_B4_022_UT_19S065_RPN PT_B4_022_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_25 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=302; Injection=46; RAW_FILE_NAME=GD_B4_046_UT_19S065_RPN PT_B4_046_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_26 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=325; Injection=69; RAW_FILE_NAME=GD_B4_069_UT_19S065_RPN PT_B4_069_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_27 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=348; Injection=92; RAW_FILE_NAME=GD_B4_092_UT_19S065_RPN PT_B4_092_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_28 Factor:UT Pool Sample_Data:Batch=B4; SPG_inSample=-; dilution_factorAcq=-; Order=355; Injection=99; RAW_FILE_NAME=GD_B4_099_UT_19S065_RPN PT_B4_099_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_29 Factor:UT Pool Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=365; Injection=20; RAW_FILE_NAME=GD_B5_020_UT_19S065_RPN PT_B5_020_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_3 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=9; Injection=22; RAW_FILE_NAME=GD_B1_022_UT_19S065_RPN PT_B1_022_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_30 Factor:UT Pool Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=366; Injection=21; RAW_FILE_NAME=GD_B5_021_UT_19S065_RPN PT_B5_021_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_31 Factor:UT Pool Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=367; Injection=22; RAW_FILE_NAME=GD_B5_022_UT_19S065_RPN PT_B5_022_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_32 Factor:UT Pool Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=391; Injection=46; RAW_FILE_NAME=GD_B5_046_UT_19S065_RPN PT_B5_046_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_33 Factor:UT Pool Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=414; Injection=69; RAW_FILE_NAME=GD_B5_069_UT_19S065_RPN PT_B5_069_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_34 Factor:UT Pool Sample_Data:Batch=B5; SPG_inSample=-; dilution_factorAcq=-; Order=435; Injection=90; RAW_FILE_NAME=GD_B5_090_UT_19S065_RPN PT_B5_090_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_4 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=33; Injection=46; RAW_FILE_NAME=GD_B1_046_UT_19S065_RPN PT_B1_046_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_5 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=56; Injection=69; RAW_FILE_NAME=GD_B1_069_UT_19S065_RPN PT_B1_069_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_6 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=79; Injection=92; RAW_FILE_NAME=GD_B1_092_UT_19S065_RPN PT_B1_092_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_7 Factor:UT Pool Sample_Data:Batch=B1; SPG_inSample=-; dilution_factorAcq=-; Order=87; Injection=100; RAW_FILE_NAME=GD_B1_100_UT_19S065_RPN PT_B1_100_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_8 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=97; Injection=20; RAW_FILE_NAME=GD_B2_020_UT_19S065_RPN PT_B2_020_UT_19S065_ZHP SUBJECT_SAMPLE_FACTORS UT_19S065 UT_19S065_9 Factor:UT Pool Sample_Data:Batch=B2; SPG_inSample=-; dilution_factorAcq=-; Order=98; Injection=21; RAW_FILE_NAME=GD_B2_021_UT_19S065_RPN PT_B2_021_UT_19S065_ZHP #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #COLLECTION CO:COLLECTION_SUMMARY Samples were received and stored at -80°C until processing. In total, 315 CO:COLLECTION_SUMMARY samples had sufficient sample volume for metabolomics analysis. CO:COLLECTION_PROTOCOL_FILENAME Report_Michels__2017_1977.docx CO:SAMPLE_TYPE Urine CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY See report TR:TREATMENT_PROTOCOL_FILENAME Report_Michels__2017_1977.docx #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Aliquoting was initially performed for all CHEAR assays, and included an aliquot SP:SAMPLEPREP_SUMMARY of each sample for metabolomics and specific gravity measurements. Specific SP:SAMPLEPREP_SUMMARY gravity measurements were made first, to determine dilution factors required for SP:SAMPLEPREP_SUMMARY pre-acquisition normalization. Specific gravity and dilution factors are SP:SAMPLEPREP_SUMMARY included in the “Meta_2019_Michels2017_1977.csv” Urine samples were thawed SP:SAMPLEPREP_SUMMARY on ice in batches of approximately 65 samples, and vortexed. The sample was SP:SAMPLEPREP_SUMMARY diluted with water down to a specific gravity of 1.002 for pre-acquisition SP:SAMPLEPREP_SUMMARY normalization. A 20 L aliquot of the diluted sample was prepared for SP:SAMPLEPREP_SUMMARY metabolomics analysis. In addition, a 20 L aliquot from each diluted sample SP:SAMPLEPREP_SUMMARY was combined for use as a pooled quality control sample and re-aliquoted into SP:SAMPLEPREP_SUMMARY 20L samples. Samples were then returned to -80°C until analysis. Extraction SP:SAMPLEPREP_SUMMARY was performed in batches of approximately 65 samples, immediately prior to SP:SAMPLEPREP_SUMMARY LC-HRMS analysis. All samples in a batch were thawed on ice, combined with SP:SAMPLEPREP_SUMMARY 180L of acetonitrile containing internal standards, and vortexed for 30sec. SP:SAMPLEPREP_SUMMARY Samples were then centrifuged (13000 g, 15 min, °C), and 60 L of supernatant SP:SAMPLEPREP_SUMMARY transferred to two LC vials for RP and HILIC analysis. Extract remainder was SP:SAMPLEPREP_SUMMARY returned to -80°C. Following the same protocol 20 L aliquots each of a SP:SAMPLEPREP_SUMMARY matrix blank (replacing the urine with H2O, “matrix”), a CHEAR Reference SP:SAMPLEPREP_SUMMARY urine sample (global quality control, “UT”), a NIST 3672 sample (global SP:SAMPLEPREP_SUMMARY quality control, “NIST”), and multiple pooledQC samples (local quality SP:SAMPLEPREP_SUMMARY control, “LQC”) were extracted. SP:SAMPLEPREP_PROTOCOL_FILENAME Report_Michels_ 2017_1977.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Reverse Phase Gradient separation CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent ZORBAX RRHD Eclipse Plus C18 (50 x 2.1 mm,1.8 µm) CH:COLUMN_TEMPERATURE 25°C CH:FLOW_RATE 0.4 mL/min CH:SAMPLE_INJECTION 2uL CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_DISPLAY Reversed phase NEGATIVE ION MODE AN:NUM_FACTORS 5 AN:NUM_METABOLITES 96 AN:HAS_MZ 1 AN:HAS_RT 1 AN:RT_UNITS Seconds AN:UNITS area #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS Database dependent targeted identification: Metabolites were identified based MS:MS_COMMENTS upon in-house database matching considering retention time, accurate mass, and MS:MS_COMMENTS MSMS matching (when available) matching with pure standards analyzed under the MS:MS_COMMENTS same conditions. Untargeted metabolomics analysis: Parameters for peak picking MS:MS_COMMENTS grouping, and alignment with ‘XCMS’ included centwave feature detection, MS:MS_COMMENTS orbiwarp retention time correction, minimum fraction of samples in one group to MS:MS_COMMENTS be a valid group = 0.25, isotopic ppm error = 10. Width of overlapping m/z MS:MS_COMMENTS slices (mzwid) = 0.003 or 0.015, and retention time window (bw) = 12.4 s and 22 MS:MS_COMMENTS s for ZHP and RPN, respectively. Minimum and maximum peak width were 5 and 20 s MS:MS_COMMENTS for reverse phase and 10 and 60 s for HILIC. The resulting peak table of MS:MS_COMMENTS retention times, m/z values, and peak areas was exported for data processing. MS:MS_COMMENTS Annotation of the untargeted data was facilitated by xMSannotator using the MS:MS_COMMENTS annotation scheme of Schymanski et al. (Environmental Science & Technology, MS:MS_COMMENTS 2014). Level 1 and 2 annotations were those that were confirmed with database MS:MS_COMMENTS dependent annotation. Lower confidence annotations (level 4) are those from the MS:MS_COMMENTS HMDB and T3DB online databases that were highly ranking by xMSannotator. Level 5 MS:MS_COMMENTS annotations were named by “mz_rt”. Metadata for the analysis including the MS:MS_COMMENTS batch and run order of each injection are provided in the Metafile, MS:MS_COMMENTS “Meta_2019_Michels2017_1977.csv”. We also included the Specific gravity MS:MS_COMMENTS measurements and dilution factor performed for each sample prior to data MS:MS_COMMENTS acquisition. MS:ION_MODE NEGATIVE #MS_ALL_DATA MS_ALL_DATA:UNITS area MS_ALL_DATA_START metabolite_name matrix_19S065_1 matrix_19S065_2 matrix_19S065_3 NIST3672_1 NIST3672_2 NIST3672_3 UT_19S065_1 UT_19S065_2 UT_19S065_3 LQC_19S065_1 LQC_19S065_2 C-1RTA2-U-00 C-1RTB0-U-00 C-1RTD5-U-00 C-1RTJ2-U-00 C-1RTX1-U-00 C-1RTY9-U-00 C-1RU24-U-00 C-1RU32-U-00 C-1RU40-U-00 C-1RU65-U-00 LQC_19S065_3 C-1RUE2-U-00 C-1RUF0-U-00 C-1RUG8-U-00 C-1RUL7-U-00 C-1RUM5-U-00 C-1RUT9-U-00 C-1RV07-U-00 C-1RV15-U-00 C-1RV49-U-00 C-1RV98-U-00 UT_19S065_4 LQC_19S065_4 C-1RVA0-U-00 C-1RVB8-U-00 C-1RVG7-U-00 C-1RVN1-U-00 C-1RW06-U-00 C-1RW30-U-00 C-1RW71-U-00 C-1RW97-U-00 C-1RWA9-U-00 C-1RWD2-U-00 LQC_19S065_5 C-1RWF8-U-00 C-1RWJ9-U-00 C-1RWM3-U-00 C-1RWN0-U-00 C-1RWQ4-U-00 C-1RWU5-U-00 C-1RWW1-U-00 C-1RX96-U-00 C-1RXC4-U-00 C-1RXG5-U-00 UT_19S065_5 LQC_19S065_6 C-1RXR1-U-00 C-1RXS8-U-00 C-1RXT6-U-00 C-1RXW0-U-00 C-1RY61-U-00 C-1RY79-U-00 C-1RY87-U-00 C-1RY95-U-00 C-1RYH2-U-00 C-1RYL3-U-00 LQC_19S065_7 C-1RYN8-U-00 C-1RYQ2-U-00 C-1RZ86-U-00 C-1RZA6-U-00 C-1RZB4-U-00 C-1RZN7-U-00 C-1RZV0-U-00 C-1S028-U-00 C-1S036-U-00 C-1S044-U-00 UT_19S065_6 LQC_19S065_8 C-1S0F4-U-00 C-1SSL6-U-00 C-1SSN1-U-00 C-1STA9-U-00 C-1STL5-U-00 LQC_19S065_9 UT_19S065_7 matrix_19S065_4 matrix_19S065_5 matrix_19S065_6 matrix_19S065_7 matrix_19S065_8 matrix_19S065_9 NIST3672_4 NIST3672_5 NIST3672_6 UT_19S065_8 UT_19S065_9 UT_19S065_10 LQC_19S065_10 LQC_19S065_11 C-1RZ45-U-00 C-1RZ52-U-00 C-1RZ60-U-00 C-1RZD9-U-00 C-1RZE7-U-00 C-1RZJ6-U-00 C-1RZK4-U-00 C-1RZP3-U-00 C-1RZU2-U-00 C-1RZW8-U-00 LQC_19S065_12 C-1S077-U-00 C-1S0C1-U-00 C-1S0K3-U-00 C-1S0V9-U-00 C-1S0W7-U-00 C-1S0Y2-U-00 C-1S168-U-00 C-1S184-U-00 C-1S1A4-U-00 C-1S1B2-U-00 UT_19S065_11 LQC_19S065_13 C-1S1K2-U-00 C-1S1T2-U-00 C-1S1U0-U-00 C-1S200-U-00 C-1S226-U-00 C-1S234-U-00 C-1S259-U-00 C-1S275-U-00 C-1S2F2-U-00 C-1S2H8-U-00 LQC_19S065_14 C-1S2M7-U-00 C-1S2Q8-U-00 C-1S2X2-U-00 C-1S2Y0-U-00 C-1S325-U-00 C-1S341-U-00 C-1S382-U-00 C-1S3D5-U-00 C-1S3J2-U-00 C-1S3M6-U-00 UT_19S065_12 LQC_19S065_15 C-1S3W4-U-00 C-1S408-U-00 C-1S440-U-00 C-1S465-U-00 C-1S473-U-00 C-1S481-U-00 C-1S4B9-U-00 C-1S4M5-U-00 C-1S4P8-U-00 C-1S4S1-U-00 LQC_19S065_16 C-1S4U7-U-00 C-1S4V5-U-00 C-1S507-U-00 C-1S515-U-00 C-1S523-U-00 C-1S549-U-00 C-1S564-U-00 C-1S598-U-00 C-1S5H5-U-00 C-1S5X9-U-00 UT_19S065_13 LQC_19S065_17 C-1S655-U-00 C-1S697-U-00 C-1S6D2-U-00 C-1S6E0-U-00 C-1S6P6-U-00 LQC_19S065_18 UT_19S065_14 matrix_19S065_10 matrix_19S065_11 matrix_19S065_12 matrix_19S065_13 matrix_19S065_14 matrix_19S065_15 NIST3672_7 NIST3672_8 NIST3672_9 UT_19S065_15 UT_19S065_16 UT_19S065_17 LQC_19S065_19 LQC_19S065_20 C-1S5B8-U-00 C-1S5C6-U-00 C-1S5Q5-U-00 C-1S6H4-U-00 C-1S6K7-U-00 C-1S6Q4-U-00 C-1S6S9-U-00 C-1S6U5-U-00 C-1S6X8-U-00 C-1S7W0-U-00 LQC_19S065_21 C-1S846-U-00 C-1S8P4-U-00 C-1S8R0-U-00 C-1S8U3-U-00 C-1S8V1-U-00 C-1S978-U-00 C-1S9A6-U-00 C-1S9D9-U-00 C-1S9F5-U-00 C-1S9J6-U-00 UT_19S065_18 LQC_19S065_22 C-1S9L2-U-00 C-1S9X5-U-00 C-1SA21-U-00 C-1SA88-U-00 C-1SB04-U-00 C-1SB38-U-00 C-1SBB5-U-00 C-1SBD0-U-00 C-1SBE8-U-00 C-1SBJ7-U-00 LQC_19S065_23 C-1SBL3-U-00 C-1SBN8-U-00 C-1SBP4-U-00 C-1SBQ2-U-00 C-1SBR0-U-00 C-1SBU3-U-00 C-1SBX6-U-00 C-1SBY4-U-00 C-1SC45-U-00 C-1SC60-U-00 UT_19S065_19 LQC_19S065_24 C-1SC94-U-00 C-1SCA6-U-00 C-1SCB4-U-00 C-1SCD9-U-00 C-1SCJ6-U-00 C-1SCK4-U-00 C-1SCL2-U-00 C-1SD02-U-00 C-1SD51-U-00 C-1SDE6-U-00 LQC_19S065_25 C-1SDW7-U-00 C-1SDY2-U-00 C-1SE35-U-00 C-1SE84-U-00 C-1SEG1-U-00 C-1SEH9-U-00 C-1SES4-U-00 C-1SFM7-U-00 C-1SFQ8-U-00 C-1SFT1-U-00 UT_19S065_20 LQC_19S065_26 C-1SQ90-U-00 C-1SQC8-U-00 C-1SQD5-U-00 C-1SQE3-U-00 LQC_19S065_27 UT_19S065_21 matrix_19S065_16 matrix_19S065_17 matrix_19S065_18 matrix_19S065_19 matrix_19S065_20 matrix_19S065_21 NIST3672_10 NIST3672_11 NIST3672_12 UT_19S065_22 UT_19S065_23 UT_19S065_24 LQC_19S065_28 LQC_19S065_29 C-1SEE5-U-00 C-1SET2-U-00 C-1SF26-U-00 C-1SF83-U-00 C-1SFD6-U-00 C-1SFG0-U-00 C-1SFK1-U-00 C-1SFL9-U-00 C-1SFP0-U-00 C-1SFY0-U-00 LQC_19S065_30 C-1SG66-U-00 C-1SG74-U-00 C-1SGH7-U-00 C-1SGK0-U-00 C-1SGL8-U-00 C-1SGT0-U-00 C-1SH65-U-00 C-1SHB9-U-00 C-1SHG8-U-00 C-1SHR4-U-00 UT_19S065_25 LQC_19S065_31 C-1SHV5-U-00 C-1SHX0-U-00 C-1SHY8-U-00 C-1SJ55-U-00 C-1SJ63-U-00 C-1SJH4-U-00 C-1SJM3-U-00 C-1SJT7-U-00 C-1SJW1-U-00 C-1SK39-U-00 LQC_19S065_32 C-1SKE9-U-00 C-1SKG5-U-00 C-1SKJ8-U-00 C-1SKQ3-U-00 C-1SKW0-U-00 C-1SL12-U-00 C-1SL38-U-00 C-1SL46-U-00 C-1SL61-U-00 C-1SLA7-U-00 UT_19S065_26 LQC_19S065_33 C-1SLB5-U-00 C-1SLC3-U-00 C-1SLD0-U-00 C-1SLL3-U-00 C-1SLM1-U-00 C-1SLN8-U-00 C-1SLQ2-U-00 C-1SLT5-U-00 C-1SM29-U-00 C-1SM37-U-00 LQC_19S065_34 C-1SM60-U-00 C-1SM86-U-00 C-1SMC2-U-00 C-1SMF5-U-00 C-1SMH1-U-00 C-1SMJ6-U-00 C-1SMK4-U-00 C-1SMN7-U-00 C-1SMP3-U-00 C-1SMQ1-U-00 UT_19S065_27 LQC_19S065_35 C-1SMS6-U-00 C-1SMT4-U-00 C-1SMU2-U-00 C-1SMW8-U-00 LQC_19S065_36 UT_19S065_28 matrix_19S065_22 matrix_19S065_23 matrix_19S065_24 matrix_19S065_25 matrix_19S065_26 matrix_19S065_27 NIST3672_13 NIST3672_14 NIST3672_15 UT_19S065_29 UT_19S065_30 UT_19S065_31 LQC_19S065_37 LQC_19S065_38 C-1RWT7-U-00 C-1RX62-U-00 C-1RXE9-U-00 C-1SBA7-U-00 C-1SC52-U-00 C-1SCN7-U-00 C-1SCT4-U-00 C-1SD44-U-00 C-1SDG2-U-00 C-1SN77-U-00 LQC_19S065_39 C-1SNE6-U-00 C-1SNF4-U-00 C-1SNG2-U-00 C-1SNJ5-U-00 C-1SNP2-U-00 C-1SP18-U-00 C-1SP75-U-00 C-1SPE4-U-00 C-1SPV7-U-00 C-1SQ09-U-00 UT_19S065_32 LQC_19S065_40 C-1SQ82-U-00 C-1SQA2-U-00 C-1SQF1-U-00 C-1SQL8-U-00 C-1SQP9-U-00 C-1SQR5-U-00 C-1SQS2-U-00 C-1SR16-U-00 C-1SR40-U-00 C-1SRF0-U-00 LQC_19S065_41 C-1SRK9-U-00 C-1SRP8-U-00 C-1SRS1-U-00 C-1SS31-U-00 C-1SS49-U-00 C-1SS56-U-00 C-1SS72-U-00 C-1SSD3-U-00 C-1SSE1-U-00 C-1SSH5-U-00 UT_19S065_33 LQC_19S065_42 C-1SSK8-U-00 C-1SSM4-U-00 C-1SSQ5-U-00 C-1SSR3-U-00 C-1SST8-U-00 C-1ST63-U-00 C-1ST71-U-00 C-1STE0-U-00 C-1STK7-U-00 C-1STM3-U-00 LQC_19S065_43 C-1STY6-U-00 C-1SU21-U-00 C-1SU62-U-00 C-1SUA8-U-00 C-1SUB6-U-00 C-1SUE9-U-00 C-1SUP5-U-00 LQC_19S065_44 UT_19S065_34 matrix_19S065_28 matrix_19S065_29 matrix_19S065_30 Ethyl sulfate 0 0 0 232363.6562 246953.2585 252542.3319 352130.5179 354200.5634 346425.1841 184761.2887 176822.2997 202213.4024 117106.4604 100130.669 102359.9632 113465.8638 120732.514 151592.9382 258954.6449 250170.1269 114910.2275 156946.0535 88425.4441 197300.4606 98771.93755 122182.0307 232620.9997 380896.4752 52674.79483 202428.0209 264348.4405 89100.36153 298104.2412 151825.9827 234448.0435 339114.7117 84453.28401 225298.3452 172749.0411 52973.62001 106624.7442 73573.94692 152518.8917 105541.1237 138174.9401 116045.878 76003.62967 335112.395 300830.8825 116439.9568 134866.2675 272485.8345 128954.2924 213666.3795 62561.68405 275828.0939 133063.2622 109337.0592 292529.6836 325271.4788 238909.1065 208080.5908 171686.1545 96275.9025 252750.6754 152873.2835 58792.10605 104749.5666 90127.35678 80291.57644 112954.7215 84276.97104 50938.16583 92530.1664 88957.44942 152445.5125 72401.87363 61240.3569 267995.9647 125299.7618 190144.5513 121651.4084 100691.1228 121268.9607 105125.4632 125143.7487 256209.027 0 0 0 3318.899161 4799.582795 4185.791813 199487.6467 202902.8799 203478.9985 257314.7457 253646.8956 256005.3009 136963.8985 135687.447 115888.9361 146294.7249 82627.51553 92283.87101 172976.9955 359762.3827 107147.6555 137713.9789 97799.8348 108080.2191 127103.042 123295.6809 305472.4858 79659.12324 191515.6212 147706.6877 75763.59672 284561.5642 182825.4388 80118.12448 85585.37766 219386.8306 114991.9371 76448.27836 204416.9329 131810.4666 77385.40299 118843.3526 98522.85951 66358.17239 105346.4636 135449.4359 140836.6472 104645.7866 153910.9903 87253.30094 174031.1727 91943.41373 106681.4639 90293.49587 107481.9924 66093.89902 81066.95934 123038.926 224399.2756 104903.0068 145140.3591 139468.609 98475.3902 293835.018 118385.2683 288041.3051 144035.0563 82792.2069 160337.4141 79062.27628 130732.9518 43025.8612 99350.99942 89811.84342 218425.8976 239912.6351 310740.5938 87758.8826 84139.74826 244999.5596 223354.9287 216823.1889 114967.0079 335617.8231 93728.88968 167522.2735 153749.9783 134256.539 117189.1533 200493.4685 1974.955136 0 0 3748.272834 2578.266104 4320.64703 188545.6525 194230.1494 181243.6658 232564.5147 237067.3137 237123.9195 113421.3817 115066.6495 101244.5299 106149.2066 132736.8972 201796.1522 122396.3843 214627.6111 94101.30648 185693.6988 94054.31672 153814.4569 110015.0922 40048.95259 399508.2164 58951.43715 128215.8853 54051.78554 62732.41287 129995.7793 65090.49549 67380.29485 102209.6182 185339.1313 99630.74718 56995.00371 68723.6003 63235.41645 70784.22796 51287.62683 52089.5079 120473.5552 130779.0139 40596.02868 289147.3834 107596.8685 55747.39728 173868.0992 218260.0938 62156.50717 102880.3347 139965.4495 79693.22622 130351.6557 53648.22405 89095.42016 234937.2766 118087.3142 76548.33609 50317.60851 236695.7613 70019.75851 85179.64232 318383.7994 122440.6073 162144.7076 61748.51643 140321.3032 106466.1951 274003.2701 106322.4406 70566.51886 63702.42426 432837.5428 162178.3054 94191.32678 287147.4901 146661.9358 82234.58822 213893.5283 99947.69838 171855.7646 119229.8921 126886.3519 227424.8895 101221.6566 191007.9825 3011.038652 2995.076318 3119.184168 1479.561023 3690.009744 1871.754526 158551.5804 156621.5738 155379.3464 222033.4551 199034.1538 189858.4045 91829.03523 99426.16245 49716.68876 152433.6407 60091.20848 101662.2478 82334.36428 370356.5503 59605.70491 40934.06472 127366.3405 103553.1068 95719.1353 88034.87481 80127.50915 129348.3848 159750.0839 367652.9398 90616.45457 115054.1959 82521.61457 66527.99837 58543.4415 166651.0271 92193.70364 226868.4259 53606.84946 68997.11597 87112.03377 209172.7719 192770.9801 84909.20037 137444.976 266170.3739 70381.31655 112766.4112 104547.2115 236170.028 70995.40948 108120.6694 439791.8258 64430.18294 156245.3753 70511.88337 64755.71098 225235.5865 225879.9552 114937.3753 138441.1932 105064.1122 132889.796 176156.7071 94619.75893 55528.46803 76257.88678 203687.1711 158927.7321 92529.35932 111250.9282 64239.62008 293520.0858 72968.00348 92148.85407 82478.9029 180299.4359 102299.1626 106340.7512 88499.39199 109787.4759 211388.6233 117833.5367 118929.1359 111454.8909 112171.9136 255704.8178 104305.7605 212136.0316 1350.916346 1811.324881 0 0 0 0 222243.1238 226903.3663 213942.0638 296641.5335 279344.7128 269496.8035 138153.4161 141340.8801 221773.0149 92740.06052 78752.04835 193742.9958 71725.02505 145677.8315 147621.2936 96453.4255 88224.82705 123477.8733 165146.9991 154927.5683 61076.87691 179215.0009 123238.3356 77487.47054 121403.1943 85914.59597 346130.9581 295994.2888 87168.09406 252264.9618 146469.2424 105914.6674 113197.0494 79843.30111 127327.7469 58537.41086 80052.6299 150882.9113 55023.03627 254017.8975 283207.2636 143809.328 74318.31862 182228.8034 112371.6093 244232.3813 86542.86049 203068.7044 119644.5844 59561.51799 81331.28888 174030.4076 229323.6201 144332.81 226794.0582 137605.9811 132068.691 109737.0518 86649.74676 174401.8659 104473.0518 285259.9972 81846.16993 108376.1476 118978.0881 111848.0314 93726.98981 159591.1159 191322.8911 68157.04726 194448.5845 84771.75248 130410.5954 202406.9537 0 0 0 Oxoadipate 0 0 0 64418.71008 74491.76004 68399.09984 61662.24027 68988.26042 64072.94855 34162.06621 29507.03267 50083.36497 17942.76577 18797.65545 35844.12622 28044.859 32416.99601 18841.29406 52805.19041 57866.60099 25348.63351 27448.87781 11196.16933 45795.34304 27973.66501 33270.84835 23000.78002 43834.55383 6575.608525 24331.88043 55605.44384 16592.61789 59645.65341 25388.88705 82944.44409 109660.997 16847.72153 24739.29097 47609.21338 12998.64746 38646.28753 18466.45113 19014.26684 19763.37116 25186.91128 12489.76272 13178.29762 95773.04856 28378.27476 18911.49276 36936.98674 21651.62003 19276.00564 53796.59423 16046.45527 46676.9803 21937.09952 12199.39084 66081.14802 67948.80831 22303.1765 57522.89065 27840.02671 37523.3865 51307.07614 49041.7536 10802.34959 15601.57095 11028.13109 17502.56443 22125.75896 18033.60199 11207.16254 5441.78599 24095.04353 45207.09407 6901.56969 15269.65573 46591.79976 16083.02328 32305.03029 6309.88773 13339.28742 7422.529474 30460.42631 17967.01733 42617.92296 0 0 0 0 0 0 46380.32831 47220.43976 47425.00457 39261.93806 39309.77792 36920.37642 16431.36607 19123.44606 13405.12317 26688.12603 16790.36348 25176.7522 31840.26233 102449.3732 7449.337713 36599.81069 8573.242977 9999.299835 21125.45839 27777.91721 89282.08972 11726.89572 53661.94941 43968.86868 11146.18775 32512.86809 27343.45493 10972.24385 9557.255163 34189.68947 13522.30044 7277.39199 54003.77573 24119.91405 19561.88052 24937.52542 6278.486467 10026.81733 18673.98512 34604.85517 24824.07339 13340.34366 15431.47668 35750.37824 59746.66978 36574.86544 7680.528584 7985.546704 19171.57136 13762.41766 11688.40407 23997.07174 27720.9888 11134.08472 17751.00772 32676.05707 11489.75879 110939.9812 18971.18299 43027.90579 23943.6602 21630.22605 18288.54464 9919.504155 20460.91027 11159.63663 9101.303475 25969.82372 56069.30852 23355.85323 48168.85142 11068.13806 11562.93992 35113.2535 61242.07631 32711.47996 14572.24953 47083.18368 14424.58682 41875.22535 14418.25516 6983.766329 15794.31989 26901.30396 0 0 0 0 0 0 42401.6712 40886.01879 40156.41734 31831.34279 36151.06083 35947.25967 12640.48752 9736.29968 18586.1663 21367.76811 7863.746926 46188.8381 8028.042186 13379.57651 10382.79406 18041.37687 12713.38385 50197.68145 10927.73216 6090.727251 56198.50927 11871.35495 20144.41749 3834.376312 9277.859614 15699.33166 11971.22539 11846.79748 12172.68389 26185.36182 14007.48497 6489.314461 5977.175719 7070.621256 3801.222073 5094.641089 6924.165434 15888.56383 6565.524181 8834.982439 45256.84381 14626.36963 6534.378575 33081.30799 55422.92302 11353.65096 13802.73257 8111.985029 11373.61128 7880.035477 8721.666513 18266.85406 36964.18183 13264.94797 5361.613334 8314.30044 46374.94461 6940.368485 13874.93223 64771.56872 22412.95633 19000.65251 5660.685532 11325.0805 14250.83038 59913.27573 14302.09562 10121.21058 8885.457577 72353.57872 8784.30739 16813.16194 66979.6543 31608 11686.81553 22704.25982 14578.13664 49062.26215 16016.41873 18895.12984 56359.46682 9933.433911 27445.48007 0 0 0 0 0 0 35912.59773 34426.85427 34492.85146 30633.08273 24484.89801 23528.00882 8543.819407 9277.370136 8877.755063 53729.03323 18171.81556 12301.06453 15071.07735 92504.04886 5995.756674 6374.565784 13673.65694 10996.89907 9234.332352 26215.94033 17148.86949 22785.91944 11294.39922 79386.30395 15150.83681 24837.07264 12758.20395 4242.000766 7618.514193 20167.73957 9874.273984 52890.32463 3200.010479 11397.90943 17295.55557 39697.89283 27276.68322 17826.831 14891.89553 49693.5209 23800.01322 16359.48474 11529.07893 69398.78495 19319.80558 17591.20144 73059.02932 5903.039111 18757.50129 24704.27056 15410.63179 48125.30077 38111.86468 16925.35224 13794.05752 5329.314904 32538.68374 30633.78638 7221.36843 14908.24645 13971.17907 20166.35834 16242.18494 25702.48525 16443.52363 5863.543158 53248.92699 9865.343749 10958.00865 18673.14031 21083.31284 8581.904286 14350.25311 13613.02991 29178.68872 30995.86852 16202.10025 18642.79556 15234.32505 22155.18407 42312.67763 15139.17839 30518.39053 0 0 0 0 0 0 49727.79003 46893.52646 50596.61068 39733.44559 34642.76735 35004.61876 18457.81327 17057.16424 34366.33684 15393.16453 11412.44655 44453.26163 9343.142811 26948.84638 20302.24248 15755.47624 18568.91679 18506.09268 18825.22213 30157.31465 6552.630369 35686.46224 8075.03183 5546.629018 24322.72253 28075.99008 70404.94751 68663.01551 11666.8269 28148.70005 24369.20797 17592.07541 14198.07356 18325.53637 45237.54474 9382.423571 19849.69041 16614.64859 8426.909473 43545.17129 63466.47228 17360.70214 13925.57945 41151.3998 10531.40121 63644.72838 7822.509217 16036.28179 21355.81618 11860.00615 9172.280799 29334.0469 25008.79068 17219.13033 26657.73865 20544.71451 19439.99445 14242.06419 15503.09047 41957.42053 28008.42596 47819.29898 12767.60738 12275.9519 13129.44304 29313.34924 13214.62603 26204.45003 37743.77262 16852.11637 39975.39356 9253.301899 11889.69589 23472.66107 0 0 0 Ethyl glucuronide 0 0 0 90047.85447 93594.06106 99115.73092 172790.3551 159128.7968 161329.1862 29099.74671 31193.18532 47512.60494 20240.92769 17480.48926 11064.11961 37337.79219 19591.83464 116922.7426 46508.99074 29873.01964 15654.71863 22120.73132 15402.64568 28759.30222 19299.49996 18399.68464 25377.13216 44269.18965 13071.51696 23004.73924 35678.61578 15759.05536 122424.8077 18864.88794 47583.86599 39652.48788 16904.87974 27969.92164 41482.71419 7681.994101 16216.56201 11782.72946 19555.98883 15191.76717 21230.11537 21446.7279 10910.5737 22657.65626 60652.12407 19346.82485 16661.19331 34439.5825 14232.85194 22310.54686 11992.01472 133976.1441 18398.65879 13959.77527 35251.40032 44242.81967 27798.92835 17841.1678 23823.66379 15982.41321 23377.48325 15053.31146 9442.874128 14740.64427 15098.84185 12711.67406 10560.7621 11217.79578 8765.192236 10180.9802 16306.82781 12446.50248 6759.21351 10685.11626 119349.2224 14940.24653 18016.0746 18900.82752 11976.62077 20144.79401 13176.51454 16618.21987 109885.6715 0 0 0 0 0 0 82973.06643 86102.10984 88332.30063 132719.2338 123784.8998 125821.3503 26691.58879 25304.48428 21862.37567 27193.91193 14682.11208 25355.82616 36757.70781 54782.52561 22213.69556 27595.87427 20032.11497 13749.39539 24946.86769 24981.19321 51522.2812 16267.69963 26057.62914 20995.691 11394.11526 42817.49655 25311.74468 10941.618 17440.11005 118077.3462 19391.75441 18466.17593 29200.75257 22548.45126 20172.50625 48985.8296 20330.03319 14277.79706 19058.33367 22922.4478 25891.34562 18957.42726 22675.43599 24376.25864 31749.82691 22468.6203 15424.99597 16208.94669 18011.41124 19538.52017 15896.17005 30854.25155 109177.8011 18947.2632 17369.55129 26533.4381 20560.66178 29990.09556 14873.76853 29937.93923 31018.97358 23544.98989 29895.38702 13708.02976 20402.15165 11237.54525 15514.63624 13721.53682 31534.14243 40845.51492 30312.11995 14695.64645 12687.15277 33158.69408 18364.36644 111038.621 20914.13415 40171.43847 11009.21388 30674.03776 29222.47645 21593.25166 20885.54254 104540.0491 0 0 0 0 0 0 75486.23852 70053.17965 73621.76919 124740.9515 126576.0362 111163.6321 16292.29975 13977.61144 15417.13128 15504.54909 18987.46057 39802.23917 16687.1376 35706.99038 17316.1596 31124.79535 13525.9312 38887.97424 14583.08071 9959.311222 60691.81374 9361.687843 17085.6843 11536.87466 9119.492473 16444.54861 11344.20058 12371.35637 18841.45281 101049.0986 16694.24562 8051.824391 11209.30607 13434.36541 13799.07958 7783.925276 9230.210901 14411.02997 21623.21925 12541.47035 44344.36316 15405.94539 10115.23612 32076.03042 29510.22591 32929.18122 14365.48125 23615.54059 12452.0118 16533.16425 12445.54025 12609.15191 113501.3009 15848.06429 17358.52869 7072.750418 24672.09276 10048.52102 12445.29195 38152.58299 15132.03965 22753.97384 6765.834778 16981.96856 17933.77227 28077.07532 17492.4509 11647.70885 10418.5033 48956.78472 29359.39177 18590.14704 48085.4452 31700.21057 12035.39959 97613.49706 13903.03156 23630.83126 38730.81511 39280.74077 36514.65493 15616.80482 89887.39386 0 0 0 0 0 0 69063.16401 60969.48237 63741.65427 104310.4885 103995.5532 103294.5942 22127.35796 23168.36366 8270.295167 28307.17227 13988.25273 24267.00075 18337.59519 86010.5108 10972.31823 9171.094014 21114.21565 19674.78221 20004.16102 12345.9526 14175.30768 19959.27349 33828.57337 52973.48587 15334.42632 31127.7449 13050.91763 17933.98021 14189.32171 107870.312 15817.03986 34273.65116 14183.02017 11656.94613 30130.18845 25560.87827 35742.33986 22066.3499 29052.93948 33246.21046 19583.95107 20156.39432 19062.54826 27579.64996 11308.21121 17666.82198 31477.62865 9843.685767 28424.69417 11063.12731 11427.68033 44372.82359 101578.1664 14989.88658 20587.32783 11421.21292 19375.58368 27768.27422 11368.72058 10008.04587 9541.561223 24793.9608 24207.372 16248.19328 15187.91819 9456.993504 27417.11001 14256.33198 10665.06311 15492.66684 18552.8516 11268.74198 11465.1577 15469.1939 13958.44139 99830.31101 16154.8983 15051.89519 13914.33761 17791.43619 36669.4955 15365.59154 106720.1801 0 0 0 0 0 0 94167.82794 90420.45845 93401.15551 143411.4056 136077.2601 134009.4285 22985.41873 23105.84729 35875.85553 20959.62401 13653.44571 33593.52653 10943.54797 16593.27082 27129.7586 13571.92893 12290.51881 15416.74365 18954.98286 14161.82065 8855.14665 21483.60608 15379.26309 11838.12449 18356.70153 13624.07013 47536.6641 27211.26428 12910.46535 116486.9085 22092.11422 19653.91296 13435.81396 17182.36333 15759.80859 10732.62305 14178.19836 19547.7669 7645.761721 44793.99043 20472.48069 21682.15218 9847.705084 30684.20652 18799.29725 34008.16531 13786.77617 43816.24212 17792.13721 7227.746599 12694.68829 22501.09173 110829.0259 18730.87356 31890.90751 35362.39601 25053.48901 13949.88179 15744.12479 27163.18093 15938.82957 28444.58917 13864.17023 14320.56055 14942.43176 17081.00006 16310.81477 20481.01115 27427.56011 9040.267393 27595.52067 11867.57345 17034.17767 94263.90145 0 0 0 Maleate 944.3008807 0 0 129858.4158 136213.6396 142333.3594 52577.08824 47139.24044 49225.23651 42676.27485 44117.14227 55155.08226 15724.62547 19258.65412 18643.56995 21668.31248 12093.31855 24100.67516 22684.39095 176750.5304 10962.26048 37461.82091 6974.887196 17912.76608 11961.42931 16774.65003 12028.80257 22915.18074 6234.855934 14781.6355 18937.064 7811.278242 42628.04471 35985.13678 44377.26446 23389.28058 9093.322104 16560.56507 388199.9126 17225.35453 14988.6948 10569.63035 18921.1144 12002.82946 32651.07727 9144.841425 9904.632935 358659.2344 15529.96185 61235.27814 13506.03078 13298.43687 14714.24883 13456.81798 7043.770961 38484.79107 27168.59724 9887.857535 22234.23443 32126.97474 12705.57728 53456.89861 12793.35387 361330.9197 16455.08266 13503.17118 7889.166623 22996.87453 7244.861157 8224.619469 8801.722765 9909.978282 8168.327841 8240.628002 14035.34411 16160.11943 6316.807008 8237.084642 35494.04761 24660.9891 36193.64167 8245.691596 9734.023018 7213.038333 91360.73997 24026.11468 32699.11573 0 0 0 0 0 0 102330.5433 98197.86427 96193.70903 35619.57248 34480.44708 33744.95885 27686.46171 26843.21312 7374.100232 16767.65967 8714.023545 16683.98948 15507.63165 27607.66183 6370.53884 16282.2413 5726.265713 8116.939278 26925.84398 12353.33152 25213.00394 5505.879537 32490.90411 14667.41008 7806.249527 16513.60522 11854.40661 5935.310209 5458.772556 28140.50944 18970.63196 5771.846279 32318.9233 16114.67913 10260.09068 14654.09708 6806.992133 4523.206876 14929.51358 16950.69571 29571.81862 19466.15933 10453.04498 29204.07474 27143.57928 28095.85051 6997.177865 5857.818892 11283.32655 7895.071317 10574.01854 10583.81762 23795.88686 13967.2293 11122.31574 16448.97997 7143.734823 111211.4308 8778.325139 13361.63651 9727.010653 7994.704718 6470.230505 5984.165306 25569.90335 5244.946156 7358.463195 9476.241373 41010.16078 13977.40469 13461.47511 6210.010065 5920.003103 13014.54555 11486.32977 27154.75141 22948.18253 17020.79741 9420.476447 33494.63269 8177.046589 5748.231095 23980.20123 27233.99519 0 0 0 0 2531.104773 0 83427.12992 85835.1524 85382.60823 29638.60044 28296.55503 29053.15487 14170.33816 13446.5882 8134.105792 8275.976747 6422.765618 29356.79859 5322.326937 7618.369313 6849.478404 10275.0718 6225.133475 38631.18154 13313.73921 4839.849442 24763.74609 7952.209366 9962.527203 3658.721457 5115.70644 8199.425387 19377.03613 22829.51401 4167.914078 23445.20762 14519.53524 4384.418399 4266.127644 5400.123645 4531.995466 3796.208129 3397.314458 8626.591658 6847.274637 12418.78429 16241.51222 13465.65928 4419.961118 12831.46095 14992.92124 6385.440769 5611.673358 6110.360286 5767.557752 8687.278341 7915.637597 9068.297242 27892.19936 15688.91435 4470.364738 15152.56968 15827.40931 7584.372582 7541.323968 18509.64301 9984.432356 6535.208043 2632.930787 6758.455675 17444.02936 15735.84316 6138.921865 4765.802363 5369.821561 21896.20452 5999.723218 8255.026147 638724.3771 29849.27369 5842.361859 23670.37699 11965.24816 17558.0502 7470.980854 7512.448466 26563.12866 15138.63634 21365.21727 0 0 0 2764.118956 1829.901176 0 64938.81976 63376.00955 60126.0509 24177.07569 23945.55326 23321.8724 9671.375971 11853.66981 4987.316315 14536.22005 7844.562244 5243.844792 6492.94489 29685.40831 2675.926505 2431.53589 10062.07208 8475.746987 11075.92698 11962.89532 8541.131605 7281.638531 9453.524565 140531.597 9089.298142 13124.4051 8730.447749 4015.19022 3445.45698 17064.12563 6545.074577 16171.4747 2082.127281 4751.955169 13472.17744 13201.03424 13126.30102 11618.08564 7881.905604 19412.08524 15610.03818 16232.59607 5863.653707 18352.61897 12842.53698 6849.313349 24283.81502 4622.633996 11900.01919 13140.87765 6709.936524 18300.07007 28658.2454 20706.57081 6772.889316 5422.415996 11760.04023 11897.51069 4970.761361 22797.68627 7100.549949 10093.80121 6530.312291 10489.98669 19707.40899 4459.112143 18050.78535 5225.127066 3935.818077 12874.58772 12677.15103 5695.073318 4975.74792 9267.060754 18970.98626 25876.95487 19258.08694 12306.01864 7805.457416 8709.050074 16419.62755 17079.67352 23392.95169 0 0 0 0 0 0 131922.8349 122748.9509 128380.82 39908.54108 38197.35486 37570.725 27742.5344 29342.88417 14456.5871 16731.71316 8770.331951 36745.43827 6562.200187 46950.61169 9683.816442 6613.655067 8112.371075 11370.26317 31774.2693 13771.55273 6897.389698 14582.60075 9770.753881 5109.252711 12987.16333 21436.99942 19996.38738 254135.5327 7466.948387 29924.83932 30934.32053 7531.932498 4971.041297 8048.765872 42156.8093 5115.57437 7171.545417 8116.142028 5137.484244 18541.00954 171168.4168 26232.46804 5690.950205 13603.86346 8943.883162 18048.17017 4489.428358 9740.886943 11332.28735 7796.902352 6641.112611 11224.17325 25035.08887 23381.70282 13242.07428 9967.430952 12429.38901 8235.318438 8960.31725 11983.00665 13733.80956 30793.07808 7626.90646 7667.95413 18563.56574 12122.99624 5873.445682 9101.074173 19190.09143 7722.086241 13804.84962 5104.580475 20826.98784 20650.38234 0 0 0 Oxoglutarate 0 0 0 1993357.841 1950378.753 1962197.55 1118225.719 1110217.874 1123806.902 838482.0073 800180.2101 1748218.928 173795.5117 550445.2653 857609.4742 421264.8279 942288.7912 570204.4143 1874706.736 1613631.579 479275.8114 528929.5136 179535.969 1075026.423 399378.3265 975730.8022 411676.5101 1743060.397 75293.03634 22834.83637 1769865.57 313031.0216 880896.3633 662060.2392 2180121.501 2587140.235 268357.1474 58668.25174 1839968.523 194687.7826 553233.8784 514176.3022 271641.1809 402693.9641 564934.4308 39478.43579 186625.7275 1536360.822 952347.6681 177148.2145 441210.2025 183052.1878 561074.8925 1134537.049 250927.4639 673576.0168 492552.5162 49108.50135 1330526.636 2159865.14 541629.7858 1818345.179 709338.4363 1154063.504 930833.4731 1080016.832 230615.5372 455076.0884 95997.53997 288668.6829 366421.1912 428345.1089 167130.6417 15119.33195 408367.6362 917559.4897 54073.86685 181376.2328 575743.2534 293618.4038 939077.6519 22945.6151 364200.5993 16566.05038 754783.7801 322340.8683 562045.012 0 0 0 0 0 0 1057597.344 1099779.129 1075232.165 425060.2364 423401.9111 398523.2749 369938.2009 359259.1978 71170.68629 421830.1279 219815.1507 505572.089 481687.6274 5977719.425 44796.19533 633510.3195 95287.28612 58385.72516 412844.0712 421270.3402 4649306.145 135108.3145 2210080.201 1247133.927 181536.7895 1034227.341 471743.7068 125055.5686 86019.50526 335785.3568 223956.1491 34419.06957 2285760.046 737594.661 438449.4891 514167.3262 72015.30701 35631.97983 457896.4238 1229257.796 333612.0178 332808.0934 254270.5812 554370.8237 2198864.311 653532.5372 69171.4206 69508.13402 413474.4069 177301.5458 294099.3029 288597.3279 296092.7286 212694.0415 398489.5822 757585.7118 34508.81826 3646213.05 414050.5268 876108.0187 446530.3805 311052.2065 135410.8721 198827.3357 418239.0686 113106.618 30139.83626 493491.0474 1167925.246 871207.133 1094707.226 135705.3686 153938.7451 956732.2852 1284566.151 344340.0487 393648.4536 2449135.776 302991.0624 1184371.469 34313.77673 9429.606342 355951.6329 314340.5499 0 0 0 0 0 0 955122.954 1046047.685 997114.0033 408529.6412 387190.1215 375879.8272 135143.0381 127006.0477 152346.8854 131014.0726 18984.86467 648387.5483 12729.61394 47761.15467 56260.21235 178596.2733 107390.7868 1998028.441 139617.5923 22068.96105 1617588.586 339950.7793 274680.4773 20881.53567 186999.8824 227284.5527 74171.95483 79367.42932 98889.87395 250635.4632 220690.8091 66873.87009 28314.57453 66436.28668 30572.0172 35643.72063 43855.43226 181994.1972 15304.67746 121746.2795 985987.8424 182960.9428 58079.28164 523130.2779 1495809.871 112367.0806 141466.3017 14900.42063 134777.4553 127604.28 85348.95559 290033.6049 287355.1948 189739.0343 6727.557357 108411.3521 1243273.602 37256.92248 183755.1595 2254026.548 374978.3465 298957.359 60790.69499 147071.8145 302654.6939 1834699.757 108013.3354 98226.51138 76102.18569 766264.1742 33386.83665 349322.2721 1762171.634 146205.0932 208305.7779 261610.8491 172186.6784 1450284.983 219708.4408 280506.2427 1775045.554 211585.8962 233575.0169 0 0 0 0 0 0 797751.425 842291.0568 846725.8229 372624.2814 359063.8682 340690.1598 151441.8846 160365.3294 102189.0293 704440.4725 281665.9868 122817.8808 192118.5789 2759662.718 43930.52705 81574.8676 161068.7569 234614.7511 197605.2082 611688.2323 294156.1074 588282.9392 192085.7457 3386216.881 325900.0029 451327.2465 281393.9412 9099.13065 19612.10471 226213.2816 114812.0621 1423832.731 25720.47995 100427.0627 655896.116 894586.0099 729175.6512 391819.8488 100041.2058 1438992.281 647028.4759 204855.9732 117118.4883 2270636.856 479987.8411 229169.3837 1538276.386 11347.84105 488314.0034 567660.3232 216496.6749 550267.6859 344639.6989 350344.9768 49880.85255 8445.866205 893795.646 701293.6662 46162.68066 413896.3841 214444.927 465276.5605 77270.88205 609375.4659 306594.8437 66666.72381 1296109.444 87285.77404 90361.58814 373148.9828 574792.1341 23136.56727 127180.5815 303811.0594 381771.2432 329089.886 310124.0257 483505.176 433489.1091 648633.8041 1294631.652 281510.0225 295768.6234 0 0 0 0 0 0 1044212.64 1092827.674 1083184.393 291641.7727 272742.3235 267536.4774 238188.8294 221018.2314 575503.2775 239310.0977 30294.04015 1031665.382 93136.98493 429431.1646 352995.123 123174.0831 227347.3261 315745.6338 385144.5288 426547.1198 6523.511894 1114888.057 91475.07919 5335.55074 473755.6032 737016.42 2270805.232 3410137.652 60215.7742 218079.3709 418548.2053 361295.8348 90240.87516 249457.1896 1203595.801 71594.77426 544522.2405 273689.2597 106219.7979 2558954.795 4064841.954 218654.2611 129813.2332 1039383.357 42984.61768 3705623.454 62062.01292 101886.098 560587.8481 139265.4857 155379.1987 640921.5454 176803.8783 236013.8828 628376.6546 125521.0848 367297.7575 213650.8359 96405.11171 598501.9583 387033.3665 1599603.614 178089.8056 113849.1368 215850.507 863325.552 70911.08016 412412.7731 812269.3967 197865.5431 987909.1684 61165.96073 227368.3871 138162.4812 0 0 0 2-Methylmaleate / Itaconate 3164.622669 4514.777312 2178.764446 123274.1888 123736.1378 123384.0887 92473.12194 83566.78876 95521.33619 67967.49237 56968.80201 69059.11042 25158.29887 52552.42052 70747.29117 26965.33481 56087.2706 48928.58224 77704.39511 88111.8555 39437.40825 47608.36228 19842.26747 70774.61398 32436.41749 55681.97962 25375.53088 73391.85537 9850.464952 16646.61787 49056.82617 29636.81129 73522.82359 55101.02407 98047.42662 78113.04739 26205.90828 14972.32433 70627.55343 22836.68899 49842.701 28417.26553 20059.63554 34435.35727 42097.97862 10826.1317 19025.01308 87384.49606 79627.96887 24654.99949 34438.68895 35433.75777 42361.45001 69096.7963 19149.42491 77335.22778 46097.18443 12336.41801 75619.55494 100536.9123 56060.52619 50707.33758 71483.56042 50849.67559 84542.9705 37098.84846 27600.91052 39609.0557 26077.12178 24801.59701 31557.18241 31527.14997 36151.60974 8942.823283 49724.07815 47540.29059 12214.26756 27683.28285 70944.08093 39933.35445 47128.97723 9960.081394 36980.43714 12098.90223 49340.71719 41341.16193 72829.2575 1619.309834 2101.13211 2767.391322 2662.79652 2081.682683 2091.750283 124379.0432 107929.0602 114555.6123 75093.73624 64732.83286 78533.91143 53217.64992 54333.15132 22327.99895 64751.92059 38211.79084 33280.69995 37646.81067 124618.5858 15188.37411 74230.51555 18677.61241 15373.67787 41638.51168 48922.13202 95429.01252 22590.94443 46524.44157 66490.04152 21498.22567 95879.05554 39575.17376 25263.12476 25843.43188 66502.94477 45423.59969 10622.90871 71147.54682 41538.11291 31225.14801 58850.20555 20310.82835 8340.735374 37018.02137 70608.55764 47946.07664 40512.24136 34127.35973 47502.65575 45776.20206 56827.58516 14383.85817 19719.44525 37425.76128 36191.47397 38008.6592 34397.42893 68212.80209 40336.837 55635.54341 72643.60286 8453.149905 64858.58034 48187.49933 43950.70974 64763.31603 38710.17842 46418.32681 35861.75562 52904.76132 24002.15688 7604.91631 32022.39129 60902.83666 71009.10009 57344.13039 34309.44135 24423.48797 42299.52471 50209.01826 63403.56471 41611.6515 74421.77488 23995.83986 57004.00292 7356.163232 5658.490806 40623.53328 62311.75742 1837.955461 1755.394968 1915.241029 1901.850752 2777.070605 2998.072099 106028.801 125442.2783 115981.286 78088.10206 75161.35028 76089.65224 40659.97089 41208.48586 43903.74642 47795.77863 12249.18299 56265.78081 5991.409384 24302.05904 62469.85959 62094.38498 27643.52215 101765.7983 49512.88614 10638.98688 80050.51201 45515.91313 58409.26791 10876.16638 27360.6943 26350.46651 14515.06658 14283.26149 29715.22794 65186.97009 39822.96488 16409.86486 7768.688767 31378.51368 11338.92709 10768.82068 15376.73685 61336.77376 10543.88019 16268.51111 91074.14512 38436.09633 17820.38541 54621.36228 71854.42457 29274.12953 36364.06241 9135.555555 31207.00487 29736.34834 35330.96783 42953.49607 62448.65709 37870.00676 7013.650618 25262.09071 81514.64881 12183.03671 21948.92665 72023.99151 33138.03634 63057.11052 16081.04147 32035.51165 36587.01947 65887.94877 24669.05013 19999.04156 19533.49478 84632.08373 39961.487 38199.01517 110789.8053 31698.48872 37153.18091 63025.06901 48075.38228 111032.4868 102978.5245 92270.82088 87863.86544 39072.76986 60682.97626 1652.759913 2739.514872 1813.354043 2043.585017 1951.576048 1571.638465 109097.3972 115168.9458 111913.5399 73204.8407 69928.30567 65247.68632 40451.67674 37177.99885 19464.97452 71842.96488 29360.07411 20236.0413 38121.94033 57724.96646 12408.73301 26687.4361 26813.24247 39425.70632 37982.1874 48533.46335 35652.08891 67038.6575 26263.81888 69187.53374 50723.16547 88079.81069 50341.06496 4755.57687 9163.328212 59635.40065 39863.80127 120735.346 6970.253752 23747.82849 57446.08715 96637.34471 85708.44115 49166.91553 34082.51934 79339.68148 42316.17642 46384.24903 37346.04845 89595.16742 57755.23889 43721.07279 90196.01811 7620.7381 55373.83377 56586.7524 25680.30432 74294.92733 68988.14566 48507.79799 20602.28985 11261.82159 81892.48154 84882.32514 20374.95785 36681.355 40051.88501 49865.56409 29007.78912 65676.18794 50980.19824 15338.04572 78162.40726 17480.96926 26237.47981 40049.74681 64851.83558 12126.00109 21862.19625 28333.10783 40614.52382 66657.21441 47535.96553 78467.58028 70090.48162 62320.8919 87654.90534 45816.88651 60028.64496 1949.913787 1509.74787 1521.459169 2359.430239 2960.2693 2263.71381 138605.4207 130599.0736 122786.8994 64814.41209 62864.20956 68918.66634 39039.74077 44583.51237 68574.1216 27811.77314 9807.977189 108648.7421 12383.93536 47161.64773 46665.11182 25427.57035 44425.59817 52480.86056 60012.13786 61815.90865 7465.154099 93056.43363 19884.20393 5605.508834 50742.39426 43181.04025 101228.6922 98681.48735 15853.83744 71848.4466 53104.04784 50233.29367 24423.6846 36936.07039 85364.42479 15929.70646 37227.34619 43338.75574 13831.09983 137725.2603 76926.90998 45758.74648 33859.79374 98464.27135 11311.81438 100631.4609 17481.9219 42297.5943 51134.70309 18648.44933 37653.96874 50790.71157 61773.4843 42002.47491 75163.80539 31949.78803 53424.5676 27085.78548 44508.76055 40628.44383 43615.81662 82528.35514 39603.84407 27571.37364 43948.6794 62089.24495 10665.11464 54711.82971 60328.12314 29232.90578 95042.14967 20259.20046 46155.25869 58619.68941 2400.554649 1860.655726 2770.261349 3-Methoxy-4-Hydroxymandelate 0 0 0 34464.22899 34952.14635 32074.82879 30481.77644 33750.51811 28641.0737 40719.72193 42172.00807 42575.84144 46766.59533 41226.83388 50020.85587 32564.59443 25849.69265 24433.3372 39469.10133 48732.64695 36069.8374 38043.02814 34424.31318 55296.78244 34591.21351 32577.34204 43247.09013 35013.90913 10416.57141 79066.33266 37995.4756 24612.99263 30702.50889 43437.55566 44381.31619 37731.09909 26310.24272 67003.77336 35750.62288 17711.43391 43068.83325 24194.7845 37050.36641 31172.38921 39027.69309 33891.79813 22232.28249 45035.68144 32083.0079 29417.0869 26834.86419 49896.10397 27044.59629 27635.97112 22391.58279 27033.41527 33876.90449 28058.67194 32685.98709 60427.67921 36192.72447 23941.06919 33060.01873 17859.6933 49917.54006 20587.82006 18649.16069 32382.4635 35957.32795 19895.72957 21065.95944 27990.21297 21986.9176 23763.83842 29798.67101 35820.96136 19931.25309 19926.72304 23462.88577 29268.60563 29823.41105 32599.43345 20236.17488 33216.5254 24051.97577 32024.52062 26935.08951 0 0 0 0 0 0 29263.41499 31437.8162 32605.24761 29017.12541 28788.53807 26743.2324 35113.2883 32880.22207 23782.08712 21035.65467 27664.06094 33351.96659 32350.85782 53313.95054 36701.31871 46059.58556 32458.87486 32115.16514 32214.76944 31823.92307 50106.07528 19980.79592 42773.45106 44235.62439 24010.26505 62685.54422 44423.12884 30584.7858 20697.68348 25424.08725 32933.60285 24557.25008 42281.50225 27092.37632 16745.83175 25973.06122 25537.75558 19923.39565 31057.27563 26071.68163 26055.84806 30933.02247 35166.11985 24494.55133 44775.95579 23210.91827 33675.17 28159.24367 40842.18641 22390.92736 23528.15785 27315.19911 28008.55426 29679.63118 23451.20302 31014.86833 30476.46365 26792.55479 27012.89418 30665.64517 49376.48386 25787.66382 37504.41661 27088.37016 33542.90426 17373.93539 35074.43273 18254.52527 27906.54519 36339.15563 27647.05743 31446.28256 28833.13252 45125.9341 26913.58195 23488.86158 33804.09175 61389.81921 17870.41983 40256.85441 47470.23805 33622.2186 29049.38675 22540.62502 0 0 0 0 0 0 34677.76202 34013.5012 31476.71644 28285.22687 30312.75561 29208.10539 35442.66651 36022.48641 27184.28893 31138.99415 37705.17853 56042.12709 32333.79309 49923.32176 25463.3581 43879.25804 35428.95992 43604.80721 32861.80299 15757.19795 58954.64489 22366.1208 31474.95911 21988.84642 21810.56918 22603.77036 22513.45691 26668.37006 32886.84421 24298.62688 33287.48173 21379.15221 20585.96838 15722.81867 18656.4141 17942.99054 17759.72809 27075.20802 28669.97257 19008.69393 51203.55683 34408.6719 18502.40991 58648.19357 28534.5363 23583.14562 33547.42912 31675.93574 26067.38028 30708.53961 14369.75059 26931.41545 28443.09424 28829.52878 23502.37381 19315.13767 30575.59406 20749.18502 20448.71746 39602.84851 33117.37001 29777.98655 21175.69972 27354.44667 28812.6064 32544.15246 26580.47444 20918.65382 23353.87946 74865.41478 24803.47349 23946.67034 41415.43035 32585.98572 25789.76394 24380.92356 25283.83154 35681.16371 13132.80662 12683.54042 30267.84647 30136.78664 22600.38282 0 0 0 0 0 0 24614.36249 28481.95363 26901.88004 26113.34003 23874.05029 24068.76838 27845.97455 32040.09363 16545.29582 26822.66786 19073.37615 35587.4556 31297.65739 44422.25603 14562.35407 16663.56749 45936.03612 26220.05561 30186.57854 25112.44294 15178.62945 42624.57665 23828.062 42857.41923 24093.79108 28810.05075 19707.93156 24132.34288 21004.71638 24562.79932 27670.90437 32541.54974 20938.07971 28024.73232 25834.54488 33513.33423 48527.02444 25478.82351 35680.54899 33621.56827 23705.94383 33066.82855 27637.48561 34016.16231 26520.9296 28286.35095 37599.84488 24393.68757 33752.48979 19093.41186 21373.13964 34704.64993 26323.09079 28653.45512 29998.23008 21608.11412 33131.19508 45279.29 34295.46406 19056.88543 25204.54647 34810.46625 37667.99621 23001.06663 26730.5709 17698.2472 30277.50692 22595.08284 26872.01729 23918.46011 38659.70837 25558.14903 21216.87623 26291.4722 27714.28773 23782.03622 29148.66262 17377.44901 21177.00673 32451.9453 38202.30633 29267.58276 26552.09434 0 0 0 0 0 0 29728.38683 34811.5503 31420.81705 27035.82465 26696.72804 25784.99459 33392.53574 32882.64863 29320.55803 28098.40259 23757.93452 41953.38629 22683.84132 42152.20641 41504.05139 26805.61858 29510.81985 23562.19063 39290.80785 34653.27897 20139.76815 28303.7087 29026.40825 22426.51806 32587.13153 22433.88869 24425.20884 36552.55693 24796.69684 29808.86794 36088.63883 33288.26938 35516.5911 29988.4675 23065.59999 22863.56367 30090.42488 39815.9684 20129.46241 44628.01931 28675.29655 36150.55512 28170.94508 32470.24709 28978.25947 28228.04596 22287.75688 38568.8331 27420.97189 26140.5898 24157.45791 46785.19368 24102.48207 36437.71025 47258.59975 28702.10709 23106.32492 22134.39378 21187.11466 38170.67394 29241.15355 24297.85134 21743.45802 26465.8617 31545.87659 34025.18329 29853.41621 39434.88287 35725.16025 25499.24087 41755.89727 29529.00382 35932.13922 26541.94537 0 0 0 4-Quinolinecarboxylate 0 0 0 12675.28576 12225.41979 12208.48703 19235.36418 18579.31971 19887.75812 5529.615443 4211.481862 0 3180.910225 13415.43565 0 1122.31489 668.3806477 1477.723864 17114.85309 3035.136848 1430.347071 4426.856398 1077.43205 1635.643649 1055.587569 24156.33574 0 4154.445633 789.1097518 1423.849471 0 618.2862495 17337.39874 4533.260516 57426.45992 2358.36706 14938.55891 0 0 2105.81594 4507.922078 4404.568562 2295.186002 409.8648281 4945.44652 1631.76494 792.3409745 2143.767079 7853.897118 1596.90201 2382.472166 7019.121088 3597.725697 830.4356598 3491.044572 15182.52209 4101.145317 641.2123355 1559.020471 2169.590132 1770.122347 864.4061733 1269.070012 996.2815644 14977.78342 7126.206981 2433.162607 3768.096535 7792.179905 486.4540133 2619.663499 828.6994324 1614.837785 1330.120257 21320.58795 5434.37473 4157.085454 4529.357258 13260.98164 4110.168058 4061.604585 2518.635613 1762.03613 1716.553998 1404.483774 3805.630352 15645.80093 0 0 0 0 0 0 11440.7773 9663.204821 10479.5344 15120.77054 15374.60479 15032.66514 4827.558108 4919.865594 2598.046221 2474.041321 5519.026569 3473.489692 2530.438912 1568.695841 3334.357859 10831.99083 698.8634059 1087.550349 4002.993494 597.0892086 1068.694092 943.697225 8843.026984 10774.20853 1826.247547 1216.364086 5858.929208 1126.946582 1860.864774 14076.35254 3854.802058 3024.7904 8802.492221 2793.694132 6270.540741 8572.305409 2267.661441 1534.765247 8030.081432 27338.62178 2883.566511 3477.366297 911.3910649 10953.79484 767.7145695 7920.434016 4792.857598 766.5675368 17450.87398 781.6548313 5184.72951 2303.945619 13377.08708 3578.967521 8603.418679 588.6043619 2412.587277 1112.743999 475.0594852 2418.214174 7740.980741 13894.24116 4466.034882 0 4507.657303 3829.905111 4214.452811 2083.16822 3311.94595 844.8089471 2082.46931 10919.66193 1110.740436 11946.98766 4655.497897 14359.98397 3814.403817 6510.101108 3501.478861 4473.919339 847.0733619 2871.615343 4921.680896 13848.2479 0 0 0 0 0 0 8308.782831 11084.70277 8422.97812 15554.90219 15449.16447 14923.49664 2748.86148 2757.793242 38703.60603 41735.26645 10004.77366 2171.541165 9862.887968 1054.373885 1356.888755 0 900.2531647 2256.587869 4114.469475 4564.09819 3111.222483 1771.112856 6358.320173 2229.454278 1455.900964 6753.245155 1362.522389 1537.367862 6192.855608 13217.33533 4187.097098 2461.006527 2455.344506 1017.574296 2088.589211 782.3747999 837.1320385 1079.141175 1368.953927 20409.45535 2000.978067 3790.264948 933.496059 17327.59354 6315.928815 0 3570.93285 825.5114559 641.1740665 1876.514158 5928.700626 2568.521331 13531.59419 3017.11518 1912.457851 4260.263468 2384.225091 1015.408245 3170.239873 1419.356462 14764.80357 1204.384913 660.5860596 1309.428914 3610.020788 7362.667298 839.7198958 1026.155958 1142.451475 4999.556959 1015.18745 2876.944738 1077.924213 8719.960276 938.8597744 12454.48665 2914.806227 1680.886683 15542.06592 13720.91828 19524.53018 3486.361769 11355.75723 0 0 0 0 0 0 7374.818808 8641.095789 7505.205652 15314.83724 13495.07049 13102.94538 4137.763953 5007.448808 792.167828 2328.523093 3127.17584 0 2802.125038 2045.692026 664.3270171 2652.933373 1230.665844 1140.23657 3283.737234 3513.753256 7338.069071 2150.904375 2096.771156 5244.221478 5056.103573 1073.502422 7155.326457 8378.786917 2395.778971 12138.48584 3362.398447 14561.39309 1432.176167 451.6819232 1304.974248 12574.20667 0 2551.37259 2141.616873 636.830059 4148.334982 5685.263727 854.6389847 2251.936596 1371.72308 532.3455805 5130.539416 3356.173938 4925.877823 853.5735451 959.6147818 319.4499717 14328.76368 3460.986391 1186.94638 2353.224221 4073.453206 2470.192748 789.8920861 776.1692695 7897.388174 257.0906659 22991.49983 1233.994218 3306.28807 493.0547472 0 1405.097824 2481.067737 1844.601919 3296.704215 2240.631673 9170.965756 770.5926338 874.9047726 13073.95455 3864.934511 9011.975443 1043.346089 367.3654102 3463.00712 3817.40519 13920.51098 0 0 0 0 0 0 11468.94399 12651.43882 10495.63023 15161.43523 14043.6417 14693.3185 3918.702698 4542.196718 7860.627233 744.6916507 0 2052.943108 972.7812102 2896.820211 958.5381295 1507.152673 1228.462812 693.3073775 4850.493229 25291.76477 532.9045331 7061.402325 2394.112312 1103.02146 0 2003.091236 10048.5637 725.7075861 6854.897491 12320.78375 4755.033238 732.8150785 1394.585483 1516.951223 1357.693675 2457.457493 2956.713857 1252.244633 1405.190052 1773.971448 2690.454139 3731.888193 764.0618346 1836.709804 0 4017.721234 701.6271507 1962.223562 1546.318265 12497.67467 3519.660247 1092.658816 14021.64689 3943.982784 1632.39486 1572.638024 2554.798869 1164.339394 878.9114345 1861.011503 5679.97849 3824.038015 0 1419.682612 4168.312448 1072.086614 730.7383871 5545.97589 1252.614002 6003.214394 1639.380118 742.4727263 4141.710982 12315.52725 0 0 0 Homogentisate 0 0 0 7144.165156 8540.186432 0 6471.875381 10985.92554 11004.17075 11027.28044 0 0 0 0 12374.34971 0 5792.987503 5597.611752 10209.8203 26149.69144 5280.501259 0 0 16895.57824 0 11334.66323 9920.711496 208433.5819 0 16801.11633 0 0 10179.19866 6507.276058 16235.8332 0 6638.213398 30619.63678 0 0 14721.17143 4311.33848 0 8106.633352 0 0 5487.085427 11619.32992 6733.770223 66478.16662 7259.244803 11140.20128 5604.597544 8355.114146 3613.148799 11163.93635 0 5463.802581 7964.616046 14385.25177 8665.509694 9243.220719 11401.19354 0 0 61763.31139 0 0 0 4603.138338 0 6470.747564 0 3584.86244 6162.127554 104887.4574 0 0 9716.317612 8708.757639 7316.005984 0 0 0 0 4585.042706 9871.750987 0 0 0 0 0 0 5481.756075 0 0 6045.376808 5784.273694 10898.84572 0 0 0 0 8647.543545 0 0 14733.65968 4262.792012 0 0 5491.844069 0 0 11293.77119 0 11437.61143 10622.61796 5333.588497 50508.48411 8909.696013 7630.48358 0 0 0 0 17303.07487 9335.584396 0 0 0 0 18228.39029 0 14351.12991 0 15896.40387 14470.73206 16068.27398 11270.89896 0 0 9290.31209 5753.892709 0 10273.26377 5136.445567 0 7202.98527 5319.245466 12559.83571 16674.97263 9993.094828 0 18954.73828 5309.401419 7314.002559 6543.330551 0 0 4660.133746 3571.309671 8357.019862 88661.04488 8264.247941 0 0 114491.7249 5959.573525 9876.790217 0 23361.60744 0 12778.1157 6946.815753 0 0 6833.222511 0 0 0 0 0 0 6018.258876 6452.853275 5573.563219 6698.487019 10130.39856 7062.942826 0 0 0 0 0 10410.11289 0 0 0 8649.309361 0 0 4034.760584 0 26316.85783 0 11711.36645 3861.560383 0 0 12319.6813 7530.156526 9107.338839 10271.73424 0 0 0 0 0 0 0 0 5247.257213 25041.29383 13884.38387 0 0 0 12445.22889 17426.4549 13688.05267 11962.61417 0 0 0 14688.84887 13756.21113 0 4396.612366 0 12736.4717 0 3563.735695 13128.73893 19914.54043 5514.872028 0 0 0 11835.90641 30490.09647 0 0 0 0 51895.24003 0 17595.30498 0 9265.573299 0 15417.89855 0 6570.692746 0 0 8665.492208 0 0 0 0 0 0 5300.337252 9043.258979 4152.94482 9283.493654 9584.672764 5423.58759 789.9812747 0 3511.384003 7469.333097 6662.970083 6970.517922 8680.419798 107061.2224 0 0 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50680.69788 55254.04247 51645.8124 60744.6744 62831.45827 109314.8996 66976.72269 107039.0249 54725.17503 36565.9799 51370.22323 66004.18635 56458.89876 57381.15545 56662.89349 54325.05243 29086.57976 61333.74643 41729.93797 52274.46049 56122.44615 62781.45633 28439.90493 75860.55393 55685.66061 37891.73552 54427.59968 59391.89164 44312.71102 65352.82483 41775.20108 73783.45629 52957.64029 28000.52189 57865.0104 30391.42461 47437.09351 38480.76469 51618.59848 36271.8305 36666.34557 62409.98554 80344.39601 34810.49368 54062.21412 57187.59349 45737.01645 47907.54301 34613.53469 61696.97731 47355.30373 66857.35231 66432.60503 49441.51052 65102.20482 48857.20959 41535.61272 39487.89382 69658.05791 53441.01843 59646.74521 55298.60212 34833.00161 36332.23591 34492.43297 37300.27179 23982.47445 26001.01534 40443.56906 55307.42898 28259.46639 28792.12481 55637.75718 49451.64731 36029.22418 53404.84193 41440.0343 51534.86084 36389.53813 48622.93135 51316.56246 2941.963011 3117.887861 2598.729864 4124.079892 4335.434777 3988.179443 61125.59231 72371.31286 74399.92685 56943.9585 59264.81591 60060.86073 53940.13596 56614.39165 41871.06799 50691.08793 45906.72802 41289.44679 47685.91884 79370.24281 35317.47592 65416.2646 47609.91893 40533.17944 52715.86311 48589.37379 71726.35107 39419.45606 53528.03819 53110.69998 34363.43438 87393.12472 47487.28286 41348.31616 30986.29809 61282.30778 50937.64173 41430.82214 61079.28285 43177.94434 41405.09763 65488.756 37878.06913 36478.62546 55318.30724 46094.30814 43140.14914 56884.29034 40250.3059 46271.4577 44913.0695 39296.98301 66351.34527 44625.3771 48637.95103 53785.16159 39690.30223 50817.48618 62476.59083 47695.4166 65966.15057 45846.65422 45252.18422 64097.75181 62274.55027 55323.92489 77482.17163 40172.19649 40164.65665 49795.82944 46570.2012 25427.58059 44234.23026 37642.8994 60719.41345 58889.40641 53923.29198 36804.44464 52486.81688 49719.33169 47767.33869 49934.68533 48467.46129 53086.40228 46591.3923 60239.00686 48727.27398 42822.47666 52516.63188 56247.11322 2755.379195 2485.828436 1688.443322 5006.557382 4140.338184 3008.901597 64851.44478 71196.07457 59410.06609 62532.19343 63578.21271 62332.5699 50387.95602 50669.30668 43285.97823 49587.75938 49813.40192 61601.03311 45715.97223 58941.18268 45541.43865 54866.37292 52535.20134 86313.69151 51327.51366 38602.32887 50451.22341 64408.39538 55197.43437 28628.63539 31773.14696 47932.54653 43597.24935 50277.5261 55581.388 60571.03179 55549.03118 37459.0591 31224.68991 40960.54152 37266.72323 26867.99753 25871.95742 77633.90449 72434.88865 26893.31136 87283.94917 46639.95617 35790.35612 71318.45632 70849.22115 39896.89332 55410.4783 51481.58189 45045.0819 40386.74746 42249.56814 54005.73376 68238.3989 52213.68602 35496.73591 43055.30386 67165.98272 32941.08198 43453.03249 34124.71016 62269.48959 53824.54544 28972.42601 47645.2859 47714.08928 66866.26988 23072.06527 30401.30901 30154.53198 74595.22254 25054.05812 43343.99003 68943.5373 44253.65535 49927.42006 60131.61854 50011.52938 87824.28565 24936.0931 25392.63653 54522.44869 50693.16389 55802.13133 3541.123421 2161.063479 3743.0423 4207.554964 2838.790758 3032.837274 65903.45921 62204.58282 58093.68848 56461.16014 55018.40454 65866.98335 54951.34952 48093.12398 30005.12365 62270.14133 37631.95193 47705.41793 45301.92106 53357.01789 30068.32723 23396.05237 84969.45645 43938.25693 51337.52026 62392.46239 39691.54871 55711.07773 49531.55073 68485.97788 75752.20139 61794.17574 58826.48811 41752.95281 43813.28328 60292.94485 46577.3607 104744.5837 31412.22491 56740.13647 65053.10194 101934.8888 136547.9777 74780.71258 53667.29246 55870.88495 54278.84777 48179.78397 47393.96728 58495.85728 75330.50696 38800.3395 63299.35326 40066.47038 75502.80674 26599.52251 31606.71951 62280.82924 56069.62724 47920.74096 46078.25239 50494.20125 71459.88194 67668.93723 38480.7651 32838.44829 45285.75818 43438.22694 33498.72602 43038.35832 47999.48557 29829.54026 61638.40981 31844.72514 32829.1425 40763.08969 46020.44389 32089.7775 27647.93391 42205.08609 47100.84679 56192.44785 48204.94913 31488.67069 67157.49254 60480.34937 55027.94552 49077.03952 58753.29989 2795.550493 2314.312709 2211.931432 2143.971022 2452.67163 2935.452904 75892.32581 67421.71985 67189.94815 63994.12067 61055.86294 58546.74889 50980.70645 51800.14248 60354.77953 39458.31245 25975.15914 63279.80912 31987.57707 49111.95002 53674.70143 37463.75629 53835.94895 41494.85925 53343.7189 52914.55921 27775.24647 62048.10577 39396.74745 34249.51535 48876.04336 28856.76791 42984.64699 65152.80475 33373.66221 62062.26047 53915.12145 42122.51313 40263.53979 38614.96188 43692.33321 25834.6855 36154.15183 49402.69072 20887.80606 75762.13012 43024.68667 56697.39488 38254.53188 81704.77862 43220.16138 50682.10309 43960.40018 64109.15436 58635.44989 31640.55605 41154.88835 53736.09856 53856.22217 49444.97256 65258.91586 36493.47621 42999.09079 41328.22717 39105.37345 32730.53939 58485.16849 26016.9023 48883.9085 41273.93389 45644.24158 65171.18457 44606.86889 58321.36557 70922.56621 42401.27943 83196.46809 45024.66619 50695.23891 59638.4825 3322.761008 3341.401222 3074.971551 4-methylcatechol 0 0 0 3255.132896 2769.814663 2603.766117 3219.599133 2238.593084 2952.668867 2730.516381 3413.46353 7382.266027 2201.62983 1046.108859 4249.074948 2988.656521 1020.27384 901.0860311 6306.202965 3499.992803 2692.773875 3733.419533 1446.409028 4681.380797 4241.261358 3790.656649 2427.27179 6806.034848 1068.83854 3319.298811 6319.615322 1538.996678 2110.883448 2844.205521 3724.012508 6253.909035 2169.495935 3890.121705 3715.977473 1606.605318 3214.190446 1030.060309 1183.940441 1189.804492 3966.941966 1851.165939 3626.221139 3683.812688 1436.338816 4009.849006 2253.008287 2210.018492 2410.60598 4103.508925 803.0829543 2396.256533 3819.807424 2282.418006 3130.422079 4130.014633 1812.805494 3450.630921 1665.900584 2113.438822 5709.009117 2363.506121 1301.336635 1566.378302 2484.995418 1012.975721 1939.994444 1304.160571 2621.713155 1715.388493 2457.409029 2805.139254 1334.126296 1230.058841 2309.587428 2557.75893 2166.087093 2723.634456 1977.942593 2354.876627 4295.105663 2076.525531 3046.137857 0 0 0 0 0 0 2101.139428 1525.174926 1375.258247 1930.812498 2130.908503 2717.669009 3925.455303 2564.708429 3129.102403 3308.385265 1545.572688 3346.936842 3164.810832 7968.105146 2426.194045 2585.845435 1562.858175 945.0021811 2242.862226 3559.62191 6663.645705 1998.766021 2647.314238 2830.748348 3149.48996 5459.548087 2900.839851 2944.398593 3520.920343 2410.916935 2516.802934 2073.066329 2797.417983 3596.782098 1531.225031 3058.308315 3080.025792 1420.995833 2022.434013 3987.958612 17169.62732 2737.326933 4461.564316 1749.871165 1789.204218 2215.234745 3107.451266 2813.448342 2490.947579 2515.110684 2200.169335 2730.331647 2898.969668 2893.696743 4280.699621 2060.092203 2584.143596 4614.435601 3357.008718 9355.113699 4900.985082 2115.048227 2371.770907 1850.498359 1923.475146 720.6772797 792.788638 1118.470162 3029.501402 4186.688696 8719.716532 3052.290757 927.9102183 4223.472397 3263.967831 2130.914109 1847.887731 7422.351306 2177.665055 2947.575631 3007.005558 3544.318622 2119.580631 1769.694696 0 0 0 0 0 0 1192.753581 1884.369636 2526.732328 2310.356313 2237.032865 1941.815489 2386.923543 1788.16466 4448.620062 2799.287981 8050.064568 5449.718875 5722.252996 1873.090077 1837.827865 2723.231296 3460.045041 4093.454559 3623.308199 1398.028295 5571.840407 2014.246172 3070.921428 940.0540973 788.9507028 1155.040461 4342.509182 2234.140257 3073.386791 2386.085487 3094.003672 1874.211569 1056.254157 1674.692238 1689.125237 1956.772745 1333.188401 2152.237698 4856.280613 1915.875191 3119.944299 2179.140968 491.0945587 5791.782738 2726.998299 3503.860204 1925.451283 1771.172756 1599.68926 2735.533424 2307.098412 2353.069731 1875.08245 2213.326218 2398.950744 1567.210207 3861.467184 1958.218599 713.8176526 4305.594391 5169.391661 2631.514823 973.1438248 2592.528587 2990.751142 4360.988695 2406.518624 2385.336109 382.2040873 11838.43977 1248.573635 3868.346304 5549.129264 3155.214296 1083.714194 2033.962129 1349.219058 3283.290712 1634.676938 1349.219478 4365.667071 2516.219191 2378.060838 0 0 0 0 0 0 1909.100057 1711.700907 2079.182354 1829.845976 2343.604055 1616.91563 2636.503916 2169.613663 1300.987534 2947.23911 1254.10715 1267.370355 3974.962332 14903.92325 1351.78019 1370.699339 1243.674713 2004.881227 2332.096593 1447.008991 1422.088084 2916.19586 1839.431971 7880.588774 2738.836149 2592.645847 3729.814388 780.4551121 2123.568375 2974.015572 2147.849427 3916.737655 1444.93583 2302.85952 12109.37168 1566.333598 5143.222511 2240.645595 1824.143514 2915.863412 2091.661553 3044.233029 566.6349373 2094.029464 1052.874889 761.2871659 4121.495791 831.4852249 4974.43907 3371.751296 1726.783521 3968.883353 1340.874069 2278.967988 1434.806676 1074.449576 2095.867182 1879.056766 2433.441112 1772.249726 1742.237135 2906.014132 1360.185764 1928.472326 1050.755126 1096.186337 15085.50563 996.6116795 1158.178954 2779.415308 4518.471318 1354.798492 2341.202973 2864.371817 2601.730847 773.6264523 2524.483315 1300.066657 2569.737456 2373.36064 2906.195353 2047.99354 1403.675363 0 0 0 0 0 0 678.5066716 3088.543996 1581.239128 2542.72098 2195.636578 2618.399277 2521.152507 2927.384625 12870.83645 1144.571294 1140.154036 5561.57065 1375.307248 2303.109306 2365.794069 2198.617933 658.6715248 2483.982053 1072.318753 3560.195683 1375.21208 2123.666266 3264.220586 1285.971884 4688.504867 3767.358355 1399.770884 2862.917746 3230.626919 2509.289511 2720.089812 1801.286681 2599.311877 3308.730241 1468.924707 1498.495933 2190.34923 2194.745543 1613.034817 2618.193803 2396.928576 2936.181092 6566.503914 3192.654371 3441.336601 2654.056547 1675.870061 1934.053154 2996.616175 1189.385249 1424.003795 1965.201195 1481.188978 3424.485931 2493.877016 4222.0485 6336.660569 2898.967818 3093.757034 1691.494371 1323.237157 1497.319691 1563.954808 1223.108899 3048.023121 2224.803638 2364.664064 2376.759366 2738.389016 2594.149262 3396.562879 3272.165029 2012.294622 1975.728923 0 0 0 trans,trans -Muconic acid 0 0 0 24037.70893 25683.03573 28759.10938 24826.11774 24949.05904 26839.38456 15238.25364 12423.59097 11036.14499 5647.82738 9898.175065 13754.16272 5899.043194 7889.847049 7219.917886 11690.26313 30332.69511 6345.653942 11158.42799 5393.389661 12837.36653 8785.590983 15094.46949 7325.254719 18345.44555 4988.365288 9167.388024 22922.17638 7891.869102 20668.76435 14101.87884 49078.06552 19084.77231 6770.518949 6615.602457 27396.33814 7372.863342 9507.45111 13871.15164 9953.031931 10659.06582 11657.04024 3624.353036 8287.902879 34383.79989 8726.253099 8968.158272 7760.069383 6825.249109 6520.681436 12264.46424 11457.32601 18008.7623 12319.35585 5113.694008 29404.25589 36894.58706 7691.844253 12177.94873 10333.19637 11744.14669 17166.98289 14206.47954 3305.269976 10430.99649 7761.205427 5274.307868 5229.874255 5008.87012 5409.332261 2314.704121 9516.776931 19618.07497 4682.578024 5556.04115 21102.47165 9838.278533 9217.624002 2647.087461 6696.546726 4117.107465 10706.4273 7192.160085 20471.97094 0 0 0 0 0 0 21671.5863 25037.37129 21694.28387 17358.64721 18087.53694 16192.89094 11526.60937 10693.51061 6024.426094 11646.71045 7705.112378 18381.71517 12781.00636 21828.57432 4636.726989 11735.60345 4336.015961 5023.654452 9326.341619 12024.58391 18740.51565 8028.912885 20630.21016 13913.80365 5475.215047 7963.480457 15738.76708 7906.277456 4950.704429 17679.25499 8471.41605 3839.085577 27068.92548 7894.305981 4326.215056 5150.744299 5679.452869 7215.718854 8006.26746 8875.51156 14871.43299 8629.89381 10833.04389 17365.69418 24109.37292 16542.45275 4475.034293 4401.407409 10556.51044 7608.076038 6966.346287 10333.0455 18024.44943 8140.321589 14619.47674 14592.32804 9559.337656 24603.51682 7462.595803 21099.61273 8590.923416 14448.09648 19553.20749 7096.903542 9779.270804 11408.73932 3371.463367 13576.69922 20303.97925 9659.283828 20767.64264 5217.740956 7288.726647 9371.636953 7135.689951 14030.50501 11144.30149 19350.82696 4673.042729 18844.9795 5391.862903 3251.463412 7316.973604 14832.98845 0 0 0 0 0 0 22177.75303 27508.43476 25560.50865 18181.20053 18363.76491 18963.65375 8865.297559 6663.475263 14576.95736 16196.82596 6697.101477 21645.97467 5355.142245 5271.7514 6614.847911 10980.95633 11666.17399 21838.11287 8665.541645 3998.557177 22744.322 4954.645987 13431.1308 2360.765407 3851.298009 13186.80294 6221.353176 6666.403885 7480.956531 13153.47889 10420.43432 6623.220516 4204.107459 8476.782896 4143.065195 5110.075158 5518.893211 8732.625365 3001.232085 5972.571807 15087.21922 9547.668785 8060.820027 11996.2256 10138.61926 7752.916955 7285.339979 3820.508743 6228.751796 5269.790017 13870.02236 10089.55464 16329.65343 9750.061425 3678.393366 3401.338143 10199.11377 5709.057719 7676.580669 17477.3559 14410.98475 7767.62897 3609.683109 8933.698635 7775.445994 15312.01281 7603.813539 6411.48374 6845.97874 42773.80224 4386.597537 14385.80249 39296.32837 11001.38905 5388.579447 15836.88776 7642.031144 18831.93026 15405.94037 10250.45659 24672.57183 8770.966136 16661.45706 0 0 0 0 0 0 18372.41357 23118.79184 20302.18325 14757.93016 15186.27091 14891.89653 7414.22895 7487.121402 4674.345635 19424.69254 9514.987652 6439.052446 8891.935088 33146.57248 5587.160431 4203.388487 10825.47092 8769.268986 8223.191748 6700.406862 8306.435393 10060.31407 5753.323849 29037.52563 10719.26639 28852.3209 8025.789028 2195.275316 9072.225183 12278.04777 7300.890845 11681.02592 2715.429076 7617.105526 10813.64001 10077.47153 16293.22983 10668.07115 16103.21708 13136.8024 10606.5096 9092.512597 10963.13134 18877.77989 9788.615584 6007.40488 14197.54291 2467.439706 11919.66671 11673.89994 8638.61574 15210.59817 16607.27377 8963.147378 4873.294994 6151.332152 9281.500849 12196.0497 3088.734869 7169.174635 7932.121167 7511.090151 6030.650255 10285.29818 10435.69733 3571.157938 13455.97471 4430.408608 5551.893602 12109.38214 12056.92468 5432.296364 3874.175804 7717.10912 9178.774201 13880.94733 7983.344919 10650.70314 6571.557181 7431.324243 12275.30706 10917.74574 16898.47445 0 0 0 0 0 0 24058.35834 23818.01818 30455.61712 14795.72418 16777.19945 19400.04838 10132.12819 13107.80222 13307.09375 12576.79413 6702.4101 17028.21651 6616.516622 16757.94718 11421.21703 4940.587626 6547.80119 11002.25113 11255.33341 20583.78322 5597.221124 17173.79887 5994.756206 6233.825223 17390.53684 10849.24248 22731.69554 14502.18079 5570.074926 19932.32013 10182.24131 9974.472683 7408.234263 6577.367818 11297.59467 5388.894771 7766.214364 10983.64981 3853.881945 13996.49958 16296.02011 11820.33159 7985.796483 17017.45938 4277.164394 11277.79535 5929.208686 9299.431939 16637.78245 3943.814282 6222.122765 9450.882338 18408.8419 11187.03323 14092.78408 12778.74797 9312.493146 16466.11838 16344.29269 13829.64651 9517.92907 13068.67751 8389.281113 7987.741781 11252.69777 12385.28446 8221.650334 14856.92217 8426.897618 7100.831116 12664.45667 6546.361193 9945.486572 15776.35662 0 0 0 3,4-Dihydrox benzoic acid 0 0 0 3572.78607 4750.374911 3394.917426 4915.489933 4392.402474 6169.662146 6376.179593 5313.006081 4341.932393 7093.625675 5123.85868 4763.284565 9331.813194 5681.605915 4514.221211 9013.370856 4397.86237 7026.720561 6517.638783 1630.655796 6845.990723 1748.477344 6459.005553 8688.498371 5367.99323 3605.875098 10641.44674 32440.16735 5513.223686 4907.974687 4772.698302 4583.359512 11101.72927 1721.465174 9450.216834 18278.45161 2176.797746 7144.048159 5699.311189 6385.766986 16134.92457 5751.038327 6377.66107 2903.596863 13402.86647 3452.036486 2453.693709 3108.463154 6861.530857 6545.089334 5103.289349 5377.383514 5008.159397 6823.686823 3984.87996 28695.27045 10388.19019 3202.936947 4643.43314 8184.168342 3400.057615 16959.55919 5037.038532 4692.114925 6678.80297 5820.715603 3061.055947 8349.528414 3011.064181 5298.166649 2259.566916 11001.73918 12927.90189 2925.097792 5534.185967 4673.439706 6667.624496 2487.1926 1657.869748 4833.591826 2384.790746 6051.437772 6945.065721 3522.806536 0 0 0 0 0 0 2207.243105 2574.194883 3504.504507 1958.232979 2830.018915 5288.029488 5628.015811 7718.591624 3883.559717 12526.38664 9612.087929 5146.654547 4645.437144 7612.248839 3752.354524 6639.832076 4503.014582 15050.76536 6148.980896 10974.81654 5105.066579 3763.349647 24687.70917 6481.67302 6845.325495 8166.300847 6592.800622 6936.446405 4368.49322 3128.611031 7952.071917 8142.208893 29184.11686 4061.610046 5240.654067 5031.298265 4586.950242 7178.20016 2858.640799 6956.964867 6358.123002 4947.567061 5883.401073 8173.424752 4607.745905 9046.702007 4322.289891 5375.904101 7581.378547 3670.889325 3705.887074 4293.945238 4537.45776 5425.522463 3389.912425 10740.26646 7289.169898 6932.352314 4839.944944 2121.152755 4602.758949 4210.843414 9855.442441 5297.72988 7440.143215 5923.431491 7841.552623 4354.576953 9036.552888 9017.169237 3097.291026 6469.584536 10574.62176 4537.601689 2243.001579 2626.151355 4413.207723 8433.235199 1523.856686 7093.115769 7232.984237 1699.496702 7963.041722 1890.244174 0 0 0 0 0 0 2373.56157 2188.212396 2101.602405 3376.504499 4910.029999 4732.846099 7159.63667 4427.308603 4214.573453 8348.693754 10804.8315 10511.55801 6458.5401 7009.502709 14873.52009 8058.249345 4242.44996 3568.098144 6158.585726 3566.697546 8007.849696 3041.528941 7657.238925 4653.450954 2999.735499 3322.899058 3456.955774 6207.825945 5452.736077 3909.094451 5568.729305 6707.228549 4559.275051 3890.259622 7402.649325 4092.711834 5397.480303 4041.564938 2750.167398 4877.606566 7277.622331 5343.582077 5065.747985 6637.407361 5179.560283 3605.570163 3158.788045 2377.026551 6223.108772 3594.927404 4490.642218 5751.174625 3557.645567 5392.406999 2749.147423 3350.279872 4138.960289 7186.510641 5338.247394 5406.641795 8965.842542 6692.182519 4652.232309 5281.914851 5465.761872 5213.715316 6556.596288 2967.523203 4147.829935 7983.051116 4201.337903 3646.436231 12862.40241 4753.826713 2807.396743 4610.833411 4950.291375 6935.518978 8811.10988 6182.131464 1778.508529 5246.618195 3289.638467 0 0 0 0 0 0 2108.108893 2317.984809 2988.198284 1290.283155 4148.03784 2844.286013 7128.83053 5851.6787 4189.921692 4027.14801 6667.455124 12358.60571 6449.891193 8490.694407 7520.837007 5504.345642 5115.202683 4876.091038 5130.494941 4899.261435 11620.23909 4579.940206 1955.650499 9276.639596 3805.982074 4777.020506 5321.726873 2563.076769 2693.710896 2686.17997 9106.69798 9602.195643 2954.940166 5948.107091 5964.365574 8023.322557 5122.480971 4135.655399 5810.556457 4598.485381 5921.432954 5264.378005 13523.32463 6138.644603 5350.239368 5493.221423 6398.291067 2047.968036 12427.86325 6184.699965 11399.79978 7079.37167 3952.041152 4825.636043 2248.393363 4134.584768 3585.717671 5645.60502 5167.229609 3491.759029 7314.574857 8616.590646 2275.868184 4169.817771 5395.93257 5385.38468 3320.375935 5208.824188 2855.796254 4519.391198 3299.388471 4730.596415 2534.451484 4609.341045 7744.697058 2878.964654 4767.065455 6801.305814 2440.721808 4022.598071 5974.443291 5631.694197 3566.300164 0 0 0 0 0 0 3357.712845 5113.85868 1877.768417 4309.728223 4992.506269 2795.948579 7547.104665 9521.868149 10736.78701 25688.08771 4808.102121 8332.941148 3670.54008 4020.28397 2976.28901 3868.321611 2125.540638 2011.259385 7613.705234 4780.422908 3036.439706 5125.840549 3464.537018 1447.407137 7374.325078 4115.712817 5996.754406 7368.309464 9867.665453 3619.561021 6242.055596 7085.552638 2172.194866 3805.313819 17504.43037 5096.584242 6429.516782 5570.12568 7619.586737 13819.97665 6619.274354 5095.232055 6165.171478 8783.213762 4179.74779 7654.390017 6971.949054 15631.07055 4972.259121 1439.060204 6168.92554 4493.293145 6462.110639 4319.518385 4317.219778 4365.17002 7313.800905 5263.369701 3833.881255 14649.15812 7394.426426 7211.326589 2907.310009 6401.493531 8697.985659 8443.637495 3320.161993 6167.035752 2055.069654 4508.431979 5109.144162 5073.772048 7136.623728 4530.913796 0 0 0 Ethylmalonate 0 0 0 30511.59018 31383.33521 28983.79725 18711.52573 16156.6824 15691.43972 21140.14339 18821.56172 11081.55577 13526.6895 11939.87955 12983.23861 27911.51864 12921.89137 7174.677841 16689.38428 32767.60401 12020.71588 17281.55707 22073.60967 50492.57666 9418.262249 9923.51782 19197.06018 34757.72576 4081.460391 8235.038983 26988.34339 5479.818388 14086.1197 13576.62228 21571.18707 13641.1829 8185.660607 18323.87086 15646.63446 4219.452983 16100.99765 11583.14154 16871.98927 19000.78033 15570.89829 9140.068539 7310.541989 15732.44628 10438.6231 12646.59945 8448.764426 24157.8183 5343.78621 8290.217198 10515.22911 18685.35213 13009.23049 16874.73666 33691.98198 37220.4391 44824.45383 7891.018217 16520.5886 11731.15696 20125.09846 13806.65689 13789.11733 13392.08138 9938.601103 11344.45258 6710.488683 10211.85111 10547.71928 4204.022837 23777.07982 18949.66503 4845.556951 4711.805228 11475.9165 12207.66863 7756.803645 7434.00963 8314.909031 13024.06713 9465.373357 13160.65738 12042.63146 0 0 0 0 0 0 23111.26454 29372.74266 27116.54265 9753.682775 10200.49811 15945.55801 18893.55777 14658.65531 11127.34147 15298.59605 7277.201707 8246.991447 15722.11428 30002.1298 7555.920705 12763.08016 9641.960948 9396.474267 15239.73029 11069.29849 20557.37961 7575.574039 12500.03491 18792.84853 7850.298766 32590.01344 18615.40972 6450.427969 9626.180155 11557.00493 10911.12022 7250.151585 15548.69958 7625.944106 9996.55692 13398.46814 7673.311886 6839.838184 28701.48609 22515.99322 15485.46356 14298.99178 11454.01358 10184.86858 18736.95597 9181.785679 11203.61958 8425.407332 28725.73625 14264.83071 24534.06037 12848.71329 12802.38378 11955.14355 33409.23192 7727.796823 10827.61782 20258.21801 15656.61963 27506.68677 28709.37854 6757.674223 6406.669565 8616.884659 12161.83703 6425.401776 6869.849987 11628.64363 13186.59937 17329.54511 24961.13384 6541.536023 2724.894721 18470.4106 11589.76116 10322.65127 15662.44836 16391.54908 6308.455384 15909.42464 7785.709299 2692.860677 12621.00995 8587.837738 0 0 0 0 0 0 16756.38346 20897.20797 26156.50718 9272.460476 11059.32614 11186.93597 11264.15577 7728.966933 9622.065888 9015.493527 11972.95672 17824.37186 8362.090876 11333.98751 10053.74876 20235.90555 7948.905386 28206.32972 14481.4666 8075.600836 87183.34028 12567.7555 16455.91558 8647.485317 6241.503415 12507.79198 6779.825406 8987.618589 13106.44642 10081.80775 12732.08861 8734.641769 6138.100214 4458.818612 6829.260518 10096.68237 6199.325256 12830.27928 10109.36899 7228.821815 36036.04394 11391.36539 3454.097409 24580.83649 17211.87568 6473.194852 30453.28954 16338.09955 8427.752847 15469.52916 10278.80022 8713.169162 9923.71302 14218.41275 6307.387136 5069.825099 21489.42466 5174.238774 7541.258577 32907.47444 15972.10452 8424.504884 5150.692442 6884.349095 14271.68335 17142.29517 8960.999712 7153.669975 7479.598691 32448.505 8288.87286 14887.42595 25300.64752 15513.25152 9096.386925 10383.21152 10963.1413 25944.91893 7914.98093 8449.068868 20610.35288 9045.191728 10393.58232 0 0 0 0 0 0 19735.47158 23696.14393 22716.56715 13001.64559 8063.212959 9750.934938 11347.53488 12244.55215 2835.173647 37598.43091 9377.489917 52484.23436 9451.803782 59433.19963 14166.43131 3692.823011 24937.62015 13856.27205 12641.59732 11134.07626 7426.698387 31685.90302 9930.059875 17434.97332 10204.03584 18913.62842 10991.12608 5503.194768 5267.573829 5399.20171 8425.882244 15157.40787 5221.737128 9042.08347 21571.00777 12523.77993 28261.74347 15025.40015 12117.72007 20043.20497 9308.047025 10372.71624 15841.43349 11383.37894 9062.469696 10472.17001 24787.42629 4482.696082 16003.77388 12404.32217 8856.05172 13606.77868 9901.257187 13655.17206 12671.0576 5303.488306 14060.09081 16415.88026 5485.5822 11851.34135 8232.136328 11733.41925 6864.746724 8948.321473 13041.39161 7161.241304 29774.52263 5742.066474 5766.912843 10113.06839 20439.40264 8609.141717 5881.686896 10586.53226 12419.46574 9340.523932 13082.80154 11009.10571 11888.8783 21527.03086 13757.7524 10040.08748 9324.407721 0 0 0 0 0 0 21733.79975 25501.89953 31598.57713 13985.43398 12333.50274 7951.34493 12354.59528 17711.46033 20049.7917 9008.152549 5316.881975 14552.57019 4805.545111 9398.17815 13954.09485 5956.521997 6858.229308 23040.38318 14520.34367 7448.047895 4055.304596 9608.138238 35547.40246 4407.626783 15381.64006 10199.91299 17005.32609 13950.99047 8831.360054 13609.99466 13600.85631 7929.663166 8985.251655 5756.096887 9141.037776 6908.479187 7876.916747 10226.22565 4962.013404 18614.50749 33307.8719 12303.80402 7645.152718 25483.00903 14410.70454 20675.25875 4977.104064 20801.68439 14950.27711 5580.311595 7001.83026 13626.05866 13006.67732 10989.95855 17461.87914 14418.15412 12307.95893 7728.616241 10904.93224 22318.6966 11504.8187 23520.21936 11506.49475 8297.424995 12068.34806 8873.326455 11063.47059 12394.14672 15464.52937 7576.438383 14547.1773 9763.950028 13535.22883 9496.056531 0 0 0 Adipate / 3-Methylglutarate 2850.962483 1615.833323 3254.243599 36042.15555 36836.91688 32345.62609 82261.96486 78356.29026 84142.85281 39803.17207 39663.75826 57996.85881 50438.7759 24960.20717 45552.58071 26153.17408 42603.87522 63663.807 33010.25151 53099.44278 26098.21358 37982.31589 36045.98271 32281.90653 28554.04152 48522.29768 22589.62097 29159.6998 9291.612738 12381.6364 26657.78282 11220.5024 82888.49424 35717.89994 60693.95704 24183.57271 54961.34118 54960.88183 76295.00931 7869.991105 27906.97481 15356.75205 38692.51244 18222.56115 31255.6282 20229.4341 22197.61546 55361.54423 84296.1159 22239.09267 9336.390402 59747.68044 25581.68257 28718.16145 14510.75293 74002.3492 32042.56563 18893.12872 39499.97317 22171.81856 40265.87937 20171.23958 28145.52742 12197.55136 55950.80774 18396.94612 22998.58473 35136.54368 12757.36388 13559.05957 12241.4484 15845.43642 15889.39694 6707.030992 25324.77202 24095.45834 10750.44002 13457.20461 69632.53229 32884.05087 11690.22966 23743.84535 19016.55623 19153.68533 16883.98981 28122.1321 63787.08539 3585.197839 3052.491604 2893.654347 2231.224224 3099.671843 3649.475477 37135.76479 31839.70424 30319.82564 67191.22113 70843.47687 69384.2738 33108.63265 34162.13878 18752.58571 35386.71527 15921.3632 49037.25737 24703.23973 26391.2062 47016.7721 34601.5791 26040.35853 22675.6249 32338.59906 14417.12212 22308.4541 17182.81424 22213.27985 44353.99892 15130.90923 51734.9448 25527.70873 16835.19841 23864.05302 71803.6762 30992.25621 15677.25806 22617.11403 28756.0134 39002.02373 32826.62211 15695.43818 18266.63178 27317.04514 68256.682 18614.2518 31786.39237 19666.17192 22353.99269 21695.78 21125.45916 24960.38112 26792.58589 15313.34111 39874.2046 21347.73888 34845.95864 65907.19037 30531.72306 27253.79761 31946.26966 32694.7093 37472.86437 20355.52099 13079.72032 48116.66774 22602.50736 24544.8965 17250.66769 28831.44724 34148.49992 15108.07386 15347.14434 25800.41038 30966.80891 16930.8968 17643.15647 14100.54166 20102.02098 25960.09497 65312.91886 30799.57416 28870.89676 11943.39271 37497.04445 9781.363715 15515.93842 27822.17819 61756.29826 2030.301595 2362.349985 2944.481293 4963.604457 5983.969302 5128.875284 31461.29255 39003.57176 33074.51761 78825.56 74204.66642 69986.93949 35927.94318 33538.10713 24155.61028 25491.72272 29145.09122 46782.29252 16657.57581 11460.04104 14911.43376 22152.09872 25811.89992 51785.097 28401.63461 18044.3432 61155.38488 21782.81067 30904.78533 12168.56958 21531.84188 27581.56939 20151.59693 18008.70417 13175.29307 61215.00443 36714.43271 21314.48991 8529.992038 17173.53178 6249.741914 12483.03844 10648.62587 29735.53292 19227.99828 13697.61997 39287.09621 28794.04988 11604.37971 46143.3164 47850.75212 18396.3185 35315.70565 23034.69366 26106.19592 13398.81793 63563.74724 20489.09267 62683.85437 33105.34621 8747.922163 19658.96718 51034.97258 8766.87199 13385.37796 31848.78302 27769.82057 19757.65934 21128.91523 16147.48314 31707.37335 45868.08908 16887.29229 10218.83019 8695.982856 390286.0087 47340.41373 28484.12159 38285.06575 71037.16455 13893.75561 60796.7561 28575.90415 38542.81623 19601.52786 16589.76151 38665.54875 31852.05316 63391.9302 3701.769822 3673.464285 3239.496456 2868.334662 3472.892748 2192.240711 31610.85856 30015.78394 26381.53563 64727.74637 64018.86598 65648.94474 27382.64118 27650.27101 6656.395744 22354.89935 30819.15764 20873.12643 31122.83223 70477.66261 10175.95144 23317.03169 49418.65799 15894.58674 31435.32172 14615.16001 10853.27692 36835.15989 34352.72314 64706.80003 22340.0114 47922.45755 24745.02758 13874.41623 13324.44028 56272.78196 29737.84161 22199.48622 5148.558104 18454.81569 13289.3912 19506.87898 52970.76863 28494.54661 15089.20384 42647.31592 33319.11876 24977.35241 26744.62124 46558.35751 25741.11836 34593.80322 54801.27024 19946.42765 30915.1702 28138.49221 19196.8905 55807.03587 60718.03109 29424.24317 21901.5253 11641.01474 62058.36385 44700.02311 28569.04235 13598.05635 20958.35385 15784.22728 28463.45419 36439.97609 24774.38877 6052.586629 181033.0042 15483.0342 5916.321657 16849.71222 21185.86139 12378.42167 17658.67872 20420.08768 17320.32528 59320.37019 25454.25299 20705.55384 37830.1766 17281.1946 18870.61447 28898.09862 58648.47347 1533.055475 2111.096617 2533.208965 1993.066151 2780.978769 1059.501857 31010.82662 39320.22066 31874.0457 69550.59113 63581.53374 70786.3815 27567.80612 30642.86095 43866.53982 22072.92638 23602.92412 26257.06118 14284.04391 29835.20068 46514.82089 16973.48692 19451.13253 28496.72442 40667.19482 37057.80179 8526.221357 47173.67684 34171.24003 10797.87346 45115.66383 40837.38059 76516.84347 21651.19469 27812.87483 65655.41841 37721.21886 43788.76186 23809.82331 21228.46934 17807.62736 9836.930729 14262.86303 18171.15894 10879.71376 30307.85765 20422.67318 32851.97598 37587.01287 38991.88401 13405.74342 24612.05979 15079.83805 35252.63438 29704.6776 21223.16137 10841.25157 21955.57609 67121.49947 32725.88059 41368.60391 21531.41465 20969.36986 25984.65634 32374.84514 19840.61614 31466.2171 20859.77178 27040.9794 37362.21066 27377.58493 39773.08996 19032.26803 50872.2022 50958.82907 27443.65755 40641.52156 39039.58333 29117.65063 62929.48992 2543.399806 2294.370847 2883.229864 Phenylglyoxylic acid / 2-Hydroxy-4-(Methylthio)Butanoate 0 0 0 9902.845297 8343.77878 9500.961946 6914.797664 6795.710941 5040.561913 3315.184212 3450.858621 2409.163602 2558.269876 2508.319632 4081.519587 2737.999026 3540.890369 1962.927047 3988.551897 3549.513446 3070.951559 4082.781898 1561.198662 4665.531028 2643.105446 4367.42935 2858.992312 3373.397655 649.7320617 2800.830762 2028.340729 2843.911034 6505.952435 4445.984256 6913.636484 4240.902976 1697.973826 2397.374172 4743.078695 2052.834387 3264.589077 1482.982198 2105.330232 1550.816943 2969.405913 670.7341287 1765.129189 2831.844895 2407.462737 2773.863896 2641.967361 1335.952988 1346.902544 2992.008772 1662.423963 4221.975102 2875.884241 1273.337353 3583.369512 5561.363789 3857.637047 3027.158563 2634.515762 2120.067806 9196.467082 3386.39573 3324.27551 2846.334306 2780.951263 1902.647396 2504.182743 2461.65602 1758.933828 634.9215672 3107.657976 3044.740675 1548.304291 813.1887982 6817.183495 3133.720759 3072.575903 889.1467439 1301.393476 683.4315536 2771.004998 2400.064709 5413.684992 0 0 0 0 0 0 8684.79415 8870.601188 6036.81834 5406.126423 6503.735598 6214.03326 4133.656991 3990.112028 2080.2085 2133.186403 2469.221813 4599.229241 4334.05326 5373.52288 1925.756186 3120.203798 1200.143215 1719.63236 4688.192198 2435.65469 4672.468532 2056.215457 3322.462571 1699.068042 2954.890033 3374.635475 2541.275747 2394.652723 3280.191726 6683.275409 3433.106941 1074.26061 4624.055654 1981.695937 1641.149861 3417.562085 2486.245533 2127.486412 1733.805399 1530.573989 1343.098138 3745.321529 3109.729937 2901.476661 5256.238678 2981.950285 1702.251472 2062.896529 3065.769928 3607.758919 1493.326287 2011.702066 6322.257114 3830.528878 5802.096041 3170.48639 1575.413926 3992.304236 2661.877469 4031.26288 4779.670735 1769.242694 2367.94184 2963.142383 3750.808594 1837.26756 1305.768139 2137.952053 2246.825135 3186.221512 4691.767819 1814.686695 2362.121262 2275.932591 2475.121033 5428.956355 3420.870495 3557.971008 1914.56724 4241.239247 2677.085315 2164.887513 2641.099907 4607.677685 0 0 0 0 0 0 8250.556112 7168.59448 7637.937232 5722.129907 5299.256364 6600.309299 2924.20881 3925.524699 2966.345728 3284.56381 1266.077647 3877.178306 942.0181223 1749.966486 1414.681741 5557.976358 2731.940971 4481.550778 3929.494011 1474.266612 5379.796887 1416.134715 3853.160351 964.5535517 913.4555941 2042.570336 2075.539126 2708.354105 3027.528019 6146.493351 3492.794928 2540.818597 873.4445826 1553.68032 1672.421535 2375.53982 1680.632269 2219.308983 815.3988509 2998.376123 3669.821625 3902.356217 1751.278911 4370.730215 2905.088344 1513.596375 2516.058265 1281.58109 2827.92494 588.5115986 2371.073857 2246.319633 5770.218376 2908.694935 405.8919265 1475.181803 4399.381833 2342.831702 2970.52514 2873.028682 3668.825211 2512.705939 1836.333275 2530.96527 3386.890436 2174.372872 1572.291934 2795.654717 1999.788557 8944.941872 1580.717814 2261.94496 5672.523814 3032.261086 4365.382753 6269.491102 2694.174074 2344.799561 2697.920971 3351.301831 2260.814437 2503.981204 7114.923027 0 0 0 0 0 0 6562.170899 6635.956059 5067.253694 5957.282689 5904.435713 4940.479992 2904.938315 3293.593301 2253.525804 2292.273398 2049.548444 2192.684575 4087.006269 9918.181969 1449.270093 1362.041365 4387.165465 3625.393516 4041.689839 2102.387808 2179.688369 3206.340877 3922.172317 4163.820098 2306.18332 4048.771064 2277.838951 563.995541 1125.496164 4443.143806 2395.896473 3605.999881 1546.071929 3032.681244 4049.591094 3530.682406 4742.300744 3347.34018 1704.964591 3753.398545 2480.420472 3972.161321 2234.089329 2640.028303 2801.511177 2145.097556 2813.338563 1138.891979 2573.801975 3138.079016 1753.473186 3776.113168 5046.01409 2124.195213 1093.481569 1017.546949 3960.050391 2549.22764 2355.345225 3724.773124 1872.038326 3122.232956 2177.52617 2834.303444 3073.320888 2284.314146 2770.256382 2035.660662 978.5913238 2442.6223 2667.295361 753.0290286 1426.618468 2072.804375 554.0869845 4890.194468 3408.305724 2461.163547 2270.339382 3135.222141 3165.265199 3215.023867 5637.701409 0 0 0 0 0 0 9102.586331 6460.403666 7609.04905 5086.692776 6014.00159 6340.494512 3237.237036 3457.205098 3651.114917 2243.330385 1360.068232 2985.056482 2113.795789 3406.303211 3151.580616 2323.337648 1281.270707 1869.874051 3759.213129 2256.146803 1319.655816 3314.971633 2230.237347 677.874539 2678.993441 2830.840717 4750.743063 2796.280259 1586.859088 4193.773163 4637.232124 2550.575345 2286.88753 3238.888335 1886.101504 896.1361005 2435.76602 3761.43176 2110.978503 4623.024379 4906.916173 2042.36634 1918.977136 4058.415808 648.402757 2046.611275 599.6214567 3388.956613 3037.798508 2211.542118 1473.934628 3670.819603 4841.336151 4222.537631 5077.317216 1293.419543 3642.111239 2688.606902 2688.43543 2826.380583 3181.112226 5505.833229 1661.848629 2464.033368 3277.896454 2547.21834 2858.770691 2453.948083 3112.544794 1455.044933 2881.154734 733.9103994 3299.350895 4891.096884 0 0 0 3-hydroxyanthranilic acid 0 0 0 3403.472804 2889.707316 3484.033583 2280.857438 1961.579953 1978.94382 1323.321473 1383.783465 2016.451495 1518.767105 1232.558513 2511.301979 2596.653626 1316.606883 977.2276787 2485.958201 3054.370792 1846.203083 1829.445393 243.0225348 3469.839535 1692.684787 2684.666078 0 1858.57704 453.2875564 1382.158083 0 1467.560619 2360.2383 1735.66476 2493.369956 2626.1945 889.1812387 1476.420912 3398.876967 1616.47794 0 1960.75572 2434.348043 1422.003992 1403.110216 468.974109 2133.045199 4099.618213 1387.162972 5375.326752 1465.258225 963.9277386 1292.249855 2752.73091 2173.8177 2203.271469 1733.512529 699.3417243 3003.8271 2236.512995 2358.899617 0 1800.053022 2824.322465 1460.772308 1979.255662 929.8679112 1445.560102 880.4495628 800.3899794 1297.549124 322.1617029 801.6485247 563.8586622 792.7151678 3108.760174 2365.644832 861.8434529 2445.636315 1664.17056 2510.413835 797.4395905 1977.585216 986.9977086 1663.956793 1482.4783 1850.199472 0 0 0 0 0 0 2745.257403 1424.909929 3896.692433 1342.927686 1680.311464 2035.936653 1926.004855 1410.502829 1447.962444 2851.101825 2554.176801 1750.430822 2208.060591 1804.874995 822.7196339 1911.784213 739.2191866 0 1841.873971 3569.137394 2489.914449 1370.275276 2404.645946 1927.508609 2192.255894 1784.478906 734.798248 821.9713013 0 1921.830147 2411.954847 1318.800194 2196.786423 1082.753491 845.6394109 0 659.8597253 0 1719.192152 2461.123483 0 1779.886529 0 0 2287.850641 1336.270541 1128.027344 1223.819048 1112.950776 1859.986731 2032.969981 2718.860031 2883.147563 860.9831747 2500.751387 1339.791914 1709.637612 3405.290556 1164.890115 2204.912187 2353.567068 2215.08403 1043.309495 1897.763265 1170.397681 837.2465567 341.1026168 1807.734535 1345.845579 1940.011512 2086.270113 949.3749269 1300.105843 1322.299708 2281.216141 1925.314506 1328.50601 1052.771358 1842.940317 3529.273416 487.5929594 0 1379.544569 2688.039437 0 0 0 0 0 0 1977.841521 0 2115.23967 1869.408071 2222.760358 1381.540391 2258.50982 1500.858125 2855.644941 2516.159803 829.8395993 5999.131868 924.339952 935.5984114 1333.057354 708.9357597 3222.961585 3427.422716 2198.815189 1818.002654 3073.814837 2184.412076 983.9174142 0 1085.655986 1609.743843 2333.831313 2469.659496 1133.841188 1358.147628 2139.894163 1912.506082 721.8409416 1847.15064 1476.623349 2345.756492 1720.772733 1639.875909 0 1826.577777 1893.557054 1409.166685 1567.675659 1449.788787 1479.219449 1075.797781 0 836.4093279 743.8724766 1163.604348 980.0565891 1891.049805 2645.26903 1379.546615 577.8136774 2198.111104 3521.79234 542.3067044 1108.40102 0 2810.402091 1240.395762 2157.381246 916.1323323 2029.554706 3669.38451 1434.916594 732.2837273 585.4663315 0 1696.583436 1340.562292 2225.09413 5467.297892 924.3122746 1222.622899 1452.789072 2142.33966 1737.706764 1736.440268 2716.546232 1630.72814 1900.24463 0 0 0 0 0 0 2299.218377 2591.748034 2949.97461 2022.784267 2341.949066 2078.596116 1453.62804 1167.430759 1966.548395 2692.640844 1011.872968 1158.08414 976.6319274 2203.57807 1663.096329 717.9620092 2458.864363 1536.021282 1627.743514 1583.662257 1782.784822 2433.672844 679.8858211 4896.24627 1967.834176 1196.477277 1181.483784 701.7329229 854.4277349 2081.127878 1368.078737 1437.800345 755.2532278 1636.663226 2747.022893 1856.131603 2108.996684 1082.563434 1065.626865 1286.234392 2101.204184 1750.804708 1839.702496 2622.156154 1713.893732 1282.809812 1247.08284 392.2839175 1540.81239 1761.81304 1275.541338 1402.783124 2829.192456 2193.252244 317.5773425 307.4867924 864.1628275 1800.00799 899.4839222 1008.099217 1009.273103 1281.822596 1199.269647 1320.401111 1906.442466 318.1208269 1173.063072 368.4169947 1158.119125 3658.889736 1399.174153 597.836309 1433.336266 1533.914236 1399.363656 1757.041607 1994.577719 2062.993105 784.2769856 0 1782.002011 1165.922451 1927.116514 0 0 0 0 0 0 4225.635213 4246.830766 2936.375027 2053.829736 1677.626819 2847.121929 1842.99104 1616.260006 0 2424.3847 1020.30733 3475.34287 0 4662.349445 1161.149151 1390.156939 1015.419655 1431.749685 2672.852032 2084.192418 0 2815.337919 0 722.5044405 2323.317769 2832.942017 2025.892952 2674.304495 1497.104877 1751.210539 1846.921975 2054.629399 610.0137163 1149.444761 1894.335835 557.4288164 1652.432139 1445.354966 1528.648628 0 2638.428406 1930.663802 1916.629299 2544.717564 0 2441.50529 646.4006631 2159.76275 1362.849625 2303.613261 1306.550241 3087.25866 1478.457059 1896.057704 2467.15439 2041.110269 0 837.9726654 1287.072224 2536.823414 1825.438557 1466.263643 1523.492737 1613.693977 1072.66302 1518.401137 3388.390503 1707.144231 1123.129025 2677.811179 1154.64449 1682.452796 1418.640872 1586.58998 0 0 0 2-Methylglutarate 1422.524166 2153.681517 1976.876291 15229.90017 7879.523849 9936.685369 15229.98948 10077.0539 14390.87271 13221.12333 11173.6393 14208.24732 14879.39096 12943.49991 14046.66623 13586.14828 10692.38752 13878.69177 11817.86681 12398.04401 7389.976003 13816.56233 14540.14363 25426.88031 24760.47895 9844.325752 14330.52527 16506.5233 8534.280674 12674.31424 12701.78699 4312.534551 15502.92282 16623.85474 47754.17916 20754.31969 8489.849024 41727.72479 12298.73928 9170.522737 11201.42461 7123.555941 32535.51053 13217.28487 8860.42027 13107.79614 16016.85166 8815.276952 12218.35359 4897.524907 7932.438225 47074.88841 6317.385201 6416.317934 8663.15205 13318.18328 13801.08345 4301.785633 7497.659919 7473.074647 12054.41724 8029.545376 4635.4814 3985.807099 26143.56841 3642.759861 4440.131422 12684.28261 9467.471261 6992.254606 6976.455076 10709.54833 3832.643986 4944.087032 5568.542052 14885.2292 5102.342349 6620.596814 14977.43415 12926.4801 6363.283345 12833.53242 13199.11954 12647.22637 8351.105981 10473.13369 10482.62391 1188.13763 1603.178497 1631.885667 1249.213995 1471.777684 1624.931391 8515.96284 15552.57442 7521.69783 13460.32986 12161.25676 12063.19075 10367.42525 11775.07075 16205.92964 7371.359485 3640.790117 14802.90721 5961.577159 24666.81332 11252.90222 11826.9287 3483.516751 8407.062942 12660.97116 4800.139139 8687.449679 10308.08204 13294.72165 59491.23935 8081.726137 57917.42554 24824.24526 8987.69636 7469.603593 12830.50148 8855.028363 5020.346532 11688.8424 5102.192058 8901.471542 12717.71278 6494.897363 2736.127768 6153.685599 12950.66726 8145.957467 14838.35766 7243.40518 3366.415887 10201.08603 4113.606667 6407.295929 6993.102913 11812.561 4718.487252 5181.432476 10486.94186 16771.34911 10587.18263 10689.1548 14410.50462 7956.330399 14881.1353 12496.3683 10805.32856 14774.73527 12935.6496 10302.0064 7472.442382 12072.08861 7666.078715 6106.71819 4969.278177 9868.195464 4400.640561 9688.700319 10757.87356 6863.586773 11878.47253 5633.156322 12650.21921 8825.266697 11852.51966 7346.386475 9157.611877 5210.326182 5849.868246 8306.683792 14421.11331 981.698887 814.271215 1270.353075 1501.466068 1491.547598 1656.411648 9715.799371 9785.830727 7723.73314 14990.41921 12795.38765 14277.36711 16379.58139 16155.97272 13601.70765 13465.96142 14912.96742 19535.22388 10866.03872 9966.524749 5418.022948 7465.185657 6378.048289 8818.889014 11806.01237 7101.428743 10251.31917 5674.468646 11610.86897 4077.7059 5497.702213 9708.974286 8336.789504 5159.418747 5167.901708 16228.15773 7027.016607 8042.82399 5705.646145 11796.21929 7449.131444 9428.436504 9553.651467 10551.01424 9484.378752 3960.939362 13848.39604 18155.91523 5900.044003 16177.1993 13637.78031 10347.30967 12627.12928 13576.21598 8537.310398 11643.4694 6514.636957 11019.75537 16465.04363 12027.35767 4608.423756 8967.985881 6911.338632 4049.876726 6924.637939 18717.93318 8875.034725 24684.88275 5041.572744 12667.89597 14545.54325 15798.83548 4959.018366 5929.179618 5592.919944 35492.97964 8201.859905 3069.4712 5979.757673 10630.38849 4050.650252 12466.19871 12030.20682 9541.224814 4225.058825 4322.746752 8208.405775 7896.568418 14118.9278 1071.908225 1617.636969 1816.865316 1076.377017 1055.709885 1043.235694 9926.435645 10823.62893 7405.011364 16134.55541 17560.18848 11590.00244 13527.19213 12419.76664 3890.957207 6636.654691 5497.797542 16876.96236 17651.25434 16523.19036 5593.925897 6749.824626 16338.71082 4779.314832 13816.16971 8870.73348 4858.174419 5642.067974 9200.366325 12645.96892 6982.250709 8940.81071 8715.209476 5298.680757 7751.5731 14361.88839 15294.27662 13216.46086 4511.96021 8561.905829 9431.619128 13406.64079 19428.93583 10554.3293 7372.390389 11167.49373 26821.45318 10316.61405 7927.547408 31591.26355 14513.35501 11615.2547 9072.998207 10905.69945 22640.19927 6853.967247 10466.51638 11447.23746 14562.41364 11201.47495 11613.22501 13459.28703 8444.423651 9805.153725 5516.750415 7912.189112 4176.54839 3391.853638 12076.0773 6024.080438 6528.995471 2017.930612 21742.0807 8084.036359 3439.192373 6802.181966 7154.423337 4101.4095 5750.617317 7479.625127 3917.726358 14457.95285 13482.11001 6274.78006 6920.067269 3943.111314 5469.740936 10190.30003 15644.316 1074.28578 907.5346348 782.3553213 1372.888745 1527.376874 986.664119 11384.47494 12798.24499 7395.66953 14271.12722 8997.005855 12118.00497 14076.79436 16035.84454 21582.38835 31172.60563 10852.7923 12545.31476 15934.0401 21967.25161 12875.35583 8393.942517 5640.786415 12362.08375 16590.56798 14845.75308 4805.527659 8353.816246 13852.47166 5585.200574 20927.24367 6626.927728 11752.5352 9484.881335 11452.24324 13819.67554 13020.64778 11462.49619 25334.4848 12399.76307 11607.73427 4855.42919 5513.347011 15637.49507 4586.624971 9003.033244 24981.4254 9332.016762 10570.48084 13076.26275 13491.86396 14337.4568 6447.372245 9650.484917 5530.06346 8982.884641 2864.585457 17220.19564 17140.20173 9084.784004 8813.39197 9236.638612 9238.944997 6546.240477 5004.709891 9090.157737 9197.100606 13963.07449 5725.845201 10127.52827 8902.576331 6901.023875 9404.048692 7825.183151 9893.266333 6539.275637 8551.051621 9475.282968 8169.758697 11207.58502 1490.987288 1595.215788 1586.886782 Hydroxyphenyllactate/ Phenylacetate 0 0 0 183723.0156 190080.7779 202694.5134 229184.596 232224.9531 229222.1446 193019.6433 195985.0975 64949.94624 83117.35822 208609.0843 240127.2455 108738.0438 37352.50545 58566.99002 691416.6518 59097.38038 69338.84522 172944.2129 47093.79278 1230848.03 191285.4375 235316.914 236519.7397 150972.6888 159829.671 195128.5879 508763.0276 46265.86699 197204.8112 173620.4878 219971.1182 83272.22353 133150.4268 306638.5061 85773.69085 68653.58566 142900.5857 167259.8858 361137.6141 454498.9784 155041.7413 219047.1809 257338.547 62583.79093 34436.57944 102563.8395 278273.2577 73473.88793 76843.4074 61445.64586 150542.0581 206789.3647 155898.9645 59298.28508 209262.525 123861.5612 55669.17407 94505.99649 69871.404 39568.22619 746154.1703 55730.96881 91408.66267 140558.6465 97576.50457 18705.8758 65322.63308 61276.8603 259258.7416 147420.942 509895.6769 90285.60228 23669.10155 75007.51446 200431.1342 153716.6953 55906.14431 201844.9841 57511.77795 215071.5999 39177.22913 153557.0388 189129.2789 0 0 0 0 0 0 185102.1949 201506.5514 176245.7123 196059.0302 199974.6051 199349.8702 187466.6842 190391.072 107967.3502 29363.97053 125551.2235 114498.3097 45825.58589 280377.078 187017.3889 179031.5775 171424.1094 89999.32286 171096.1368 199461.9233 239153.0101 34936.69558 229094.557 99034.43154 155501.6275 154030.5716 66062.19501 133659.2432 682963.5352 186204.0021 159467.3181 135333.9072 279324.1185 129269.5671 80796.31719 57673.52141 36540.94818 223488.4748 68527.99402 45359.51081 140719.4589 154776.8412 104152.8679 64406.18748 75983.06621 55654.85909 85636.68714 47566.57585 66782.12088 227066.8904 52981.06237 123160.3158 180162.5137 152273.4816 417648.6148 68391.00772 140838.0776 100598.123 155859.1392 176321.2544 151358.3435 39556.05181 68800.0782 65949.62862 146713.6849 42888.16288 63400.17992 39278.02106 201380.9174 87351.71911 168640.5566 198910.5953 124217.7269 64197.36455 29718.73651 160532.6883 145199.4991 205106.482 108617.4818 144232.9776 255405.1327 193491.62 149550.4584 173307.6111 0 0 0 0 0 0 164227.1206 163937.4685 180156.1286 192715.6281 188953.7127 186688.861 144318.6707 144838.1802 112233.2672 123303.4314 227778.9936 154291.5154 208410.7066 49084.20651 121709.3494 122746.167 206076.9387 82852.90069 164776.3737 67940.52805 172860.8538 37576.8297 61979.92847 251332.8702 38235.05084 36337.34908 76604.08044 85773.15515 236961.9094 170585.5068 153528.9193 82885.88625 33918.06317 44434.62457 39837.18764 50564.223 57879.3068 133489.3337 448696.4693 83830.43677 173619.3578 156669.0315 71070.12896 393948.7421 84221.20037 211241.7412 280634.4999 304944.1621 110574.2469 125914.5367 114929.5277 67056.17265 198405.5177 160084.5381 170412.8663 58244.96153 85383.10962 256409.5298 48772.25666 140668.1966 558207.7535 39631.63551 34803.64153 28586.12396 152941.9862 32986.50053 69206.6248 112452.8114 107979.2482 249841.189 58806.04942 78865.17635 86330.0574 247811.7358 116092.6845 164911.5487 133048.3791 100820.7154 71199.44583 65949.32451 42294.89362 133335.3044 161277.3455 0 0 0 0 0 0 154240.9636 152866.8494 151301.8409 176262.6266 167091.6912 162983.9489 150832.0011 163236.8636 152434.5121 38358.81255 178006.956 63154.47568 177823.9637 1566881.088 26523.24249 126196.8473 265016.49 30027.1483 147322.0886 142990.0592 139168.4902 42646.83948 91778.39264 86499.06475 639052.1776 190741.6985 68932.53804 188249.6508 89789.24643 178167.8964 144289.7376 129118.1543 63011.86659 39757.04272 118978.1412 121031.0905 75406.01021 179068.6384 132175.9055 136892.4002 59987.96602 149926.6076 212674.0842 35780.50452 59340.21856 70641.71979 59873.40064 24833.12558 91096.93212 55124.08941 252201.5216 144647.1975 177793.1003 151186.3297 225834.6729 42320.40002 43573.06685 84267.7523 54430.50292 30694.1995 129410.953 115106.8389 48937.54576 104037.3733 147190.2095 20382.74962 788649.7262 33404.077 280350.6134 48177.00018 84772.37336 277072.9698 37109.82985 25983.37164 363341.975 160877.7079 151748.5801 50931.34348 50365.35994 71516.00783 164209.1409 134473.5876 160725.1626 0 0 0 0 0 0 186806.2513 180547.427 186566.1946 204962.8661 203591.6654 194326.9538 164289.0341 172920.0761 285906.6447 96717.31654 115268.346 77651.78018 30158.24636 104051.679 55743.46617 84136.47587 30676.28045 55158.686 179897.3215 339710.0623 63610.51633 341718.4679 1487207.264 51123.13745 201412.3375 150832.6538 167048.2663 65005.37268 102416.5172 165148.9337 156754.9738 73778.50135 143678.2946 246860.4103 51606.91311 115393.9774 83086.07047 283034.4902 21203.43632 248720.3074 159824.0434 159158.8441 122839.2353 223200.7243 213838.6452 62452.24965 139426.5453 214720.738 248090.4089 20655.90727 60016.0557 31381.56983 167720.1638 172339.5269 100893.3826 113399.5462 87494.34709 287079.683 379513.576 231923.1996 23891.31096 381726.3056 66792.59154 42771.17384 136166.2255 55142.14236 42299.41022 64034.26124 68866.31243 138756.7306 38339.0886 483123.3515 152479.0745 171713.6312 0 0 0 Indoxyl Sulfate 13262.2222 0 0 3910306.02 3993220.186 4084556.644 4506105.84 4464390.332 4235871.984 4721998.604 4705842.024 1506186.965 4285668.28 3174247.318 3450790.94 1928433.669 4860307.909 4258438.055 5463939.286 9480834.607 4982348.02 3856950.466 1328893.269 1410546.99 3414035.324 2914689.731 2636081.828 5792679.739 1552474.734 6056901.703 2388525.517 1230633.654 3533295.452 4151925.808 5199156.245 4169663.982 1632201.774 5837158.663 2680912.719 1775756.319 2428072.168 2260044.193 8072334.872 3343547.829 4066743.285 3592869.695 4739344.896 8236772.104 5246720.815 4958058.896 7358894.35 5054854.477 5430523.071 7212678.806 2113317.377 3488597.181 3687846.578 4963842.672 6191016.185 8074912.471 6570755.786 3446742.238 3652479.509 4952027.669 8143122.175 3076817.166 4644162.528 3426627.832 3670832.308 2170009.112 2333416.353 3844483.922 1448511.886 2328533.415 6003271.308 6296810.592 1178369.068 3854099.212 3679270.461 3690112.603 3296534.338 3682198.705 2977078.607 3820319.746 2200175.016 3516419.621 3477318.282 9452.592818 0 0 16478.97935 0 0 3730361.307 3693047.027 3667305.719 3872578.482 3789840.563 3785326.386 4451144.912 4543769.918 3239901.85 6501608.106 3923106.344 2166380.367 2807595.218 5846030.87 2938277.035 2186442.852 2697274.425 2430001.547 4467305.964 6059417.645 5485823.596 2237140.746 3872862.99 3117549.108 2848055.458 5204482.351 2518095.168 4301810.904 5764607.307 3569921.303 4062258.447 4175406.194 4400102.109 3781551.407 1703749.368 3216368 5102094.651 998141.3107 2325207.049 2379063.369 2143983.136 4164188.522 3744482.549 2085283.153 3587437.224 1898067.713 2732719.615 6969541.363 3245054.77 1508911.81 1751349.704 1349841.057 3155284.251 3477319.02 3539461.343 2714181.499 1110619.847 2365567.589 2979817.199 7997943.681 4195434.959 2426287.611 2424515.809 585891.6122 3767987.011 440142.278 5677338.321 2779246.883 1709154.569 3059461.671 7996653.1 2888323.119 3676338.57 3302900.816 4683582.001 3125652.986 3704751.377 3687168.46 4630693.631 8071993.438 4942983.123 3215522.785 3675148.778 3272130.387 7414.430642 0 0 12392.70387 0 0 3594470.962 3763195.977 3621701.177 3904629.608 3899597.118 3898746.577 3963629.306 3759179.004 892900.181 987691.3575 773986.4897 2444553.924 644200.4564 3294112.553 2269941.116 2962682.537 10364828.13 2558809.537 3924292.036 1992318.786 9959795.703 1634906.545 1104685.966 1510793.905 1115945.751 3333862.916 4614756.154 5166205.391 2278438.631 3424413.77 4103434.876 1355656.25 3356459.174 4958758.281 3714229.201 2367440.509 2669783.927 1938816.797 3890834.598 2576591.112 6907376.091 4279147.738 1242818.291 12322353.18 8812794.593 1272973.311 5581991.059 4016068.673 1517324.364 2110033.179 3885601.568 2389683.244 3401764.401 3833556.817 3464423.362 1157219.635 4701193.021 1060684.213 5699956.157 7561315.328 5833604.887 4483653.79 1842212.687 8507909.019 3866967.187 9548607.863 2257827.002 2752032.368 2641046.943 18122703.58 3274491.903 3160452.005 4863969.01 5142637.712 8751645.255 3156432.066 3295624.05 2626424.59 3260494.003 3045805.371 8081952.865 3371904.951 3088579.207 7299.560836 0 0 10090.5605 0 0 2746406.696 2638378.191 2658113.55 3268677.585 3216831.185 3283018.758 3650031.836 3862398.781 4029632.735 3116232.513 3468798.267 4406632.058 1664335.124 18794822.3 2148862.637 588032.7549 9630624.662 2403189.231 3807973.001 6645666.951 5812038.316 5570124.277 6175768.242 8408685.641 10600209.9 6550960.103 4133373.62 4018571.722 2561990.347 3369042.072 3645937.271 2127091.747 4047577.568 2672965.193 8441039.052 2115367.659 6680084.521 6219257.961 4660118.49 6804850.529 4813420.975 3807267.563 2051598.171 2568080.988 2194875.003 4609050.102 6767483.818 1719669.598 823157.3497 7193403.045 2170651.647 4556820.666 3057117.401 3243908.292 2967735.088 873065.3813 12997805.83 8938589.499 4170327.637 6422783.458 4129840.168 6526500.236 2996411.512 2565739.371 3393450.826 5077072.46 4206313.11 2287495.858 4715191.766 2983255.707 2531681.83 1012898.242 2161422.551 3308005.117 2329558.633 2637553.467 3237664.086 1828263.209 4260231.379 6321396.126 5654705.104 3488526.18 3071782.723 7993.737886 0 0 10039.48178 0 0 3854707.992 3829459.422 3762417.241 3858938.087 3731245.353 3785666.187 4305868.273 4332959.152 2768967.19 3170183.002 3535701.872 1239278.493 1373248.161 1236273.949 1918041.77 2085291.774 2515189.103 5321970.468 4421790.078 1487941.629 706387.7235 3619992.56 1115704.556 3758916.195 2654994.286 1712029.231 3990395.635 4288292.502 2313182.831 3459284.611 4441612.613 3190783.162 1821605.614 3045927.076 3092725.844 1312013.388 3629619.709 2200248.471 1618221.717 2182415.995 2151129.977 3957735.414 1896527.302 3927893.97 2973544.695 3083143.876 6972021.036 5712729.411 3328487.331 1592107.575 2190877.405 3106589.96 2869742.87 4234183.978 3508991.501 2539013.813 5551707.148 4532125.539 5914821.908 5202820.249 7059505.47 5687721.581 3543909.694 4065682.444 3546244.43 1913000.826 8110156.117 3781713.888 7774225.138 1923806.693 12306905.11 2920718.657 3697565.791 3101645.867 7345.027538 2667.961531 0 3-Methyl-2-Oxindole 0 0 0 6389.676143 6435.767595 6340.303573 6526.503093 6961.764874 5521.53332 8529.680101 8238.149343 7814.312567 9202.002654 8302.273482 7540.11833 6735.725341 6203.128307 6020.063063 8757.746589 9298.994241 7220.327606 7725.313842 4805.801795 9140.901039 6802.479758 6268.847565 10005.22643 13483.9577 1436.603684 13245.70979 11784.22699 5081.101212 6367.806867 8126.348086 7987.416585 7161.057411 4733.511639 11078.22278 8967.639372 3037.671328 8853.094395 6055.214536 7837.031261 7485.551009 7119.303535 4383.829499 4008.061623 15583.55644 6264.499551 7314.256756 5591.21551 10334.37676 3868.592043 8172.637793 6115.281904 4612.85642 5374.781702 4969.730423 7546.038593 10408.46485 5926.402502 5994.75637 6860.682009 4006.465896 16021.51474 5558.40215 4050.255107 5574.090086 5616.220875 3527.278508 6003.83903 4345.180046 3875.99452 2348.310403 6634.046102 9452.311412 4189.959826 4862.267459 4935.400117 6532.869463 5428.26445 5232.417628 3226.663497 4145.344795 5188.756442 5755.994638 5355.880663 0 0 0 0 0 0 5866.852136 5788.992497 6700.406076 6552.158562 5814.556735 5497.457943 8788.035263 6647.037801 7559.58372 6309.340948 5878.990268 5868.982885 10091.49678 12219.14682 7567.542854 8341.125025 8117.600273 8889.232895 6259.540536 7856.143307 9100.035562 6299.504859 8817.798489 6244.141318 5335.645457 9152.946769 8679.347559 6908.315607 7147.855472 5747.13288 6687.764824 4801.084375 8487.277122 6124.423405 3389.773127 7285.542303 5527.147674 3626.657986 7468.942321 6721.271254 7454.581521 6231.645497 9687.324206 5349.181283 6452.596381 4503.975294 9038.20533 5814.101561 16081.77344 6489.018948 7259.342458 6295.569029 4305.44748 6983.22832 7473.431986 6538.243956 7195.473471 6481.271547 7014.287672 9874.054885 11399.11281 5578.869964 7777.103501 5042.805872 6540.418414 3596.374185 7035.960403 5560.30598 6900.68886 8543.041311 8045.657522 4195.555621 4750.536459 8721.660357 5518.977117 4283.427134 5876.062376 9992.607902 4214.01409 10570.4431 5021.582643 2713.548357 6295.61454 4442.449054 0 0 0 0 0 0 4463.000484 5757.35773 4215.745491 5309.964765 6280.522604 5275.09881 5844.914101 7027.675453 4811.850823 5120.376551 3258.559332 11566.75391 2526.249527 6901.985732 8441.340923 10478.87057 7681.889525 9901.903811 8041.506075 3185.657739 13209.33307 4778.607191 8695.854712 5164.582929 4057.501451 6433.568869 5603.700553 5549.948026 6085.898843 5719.825661 5686.600786 4332.672076 4392.921859 3905.437924 4550.964274 4506.174216 4075.618447 6559.126908 5830.559527 4677.466981 12281.3237 5512.365781 3190.074147 11472.55468 6522.532522 3313.108151 5668.771487 4686.405286 5740.202185 6513.901105 3304.971222 5110.794584 4708.850216 6483.32419 2189.06586 4767.871783 15481.85112 6109.148636 4535.826556 9884.764486 9816.204492 6057.514129 3801.642968 5820.026575 4944.15059 8833.102684 5836.410313 4668.454525 4311.258041 20383.48863 7025.100187 7126.70184 10189.4573 9427.817264 5804.373987 4702.356015 5603.775369 8824.99855 8414.651967 6440.603687 5648.993125 5951.288306 4679.904562 0 0 0 0 0 0 4519.909153 5254.674582 0 4850.121873 5088.176472 3995.322946 5957.20463 6044.616712 5285.373091 6546.012336 7382.053661 5899.16549 7546.437246 14192.94919 2530.582221 3644.384599 16234.57392 5301.051113 5651.996909 4708.013562 3455.589281 8382.292134 4065.156222 5572.40699 6403.48479 8727.719441 3729.392667 3642.496938 5324.5302 5289.868616 5774.622717 8008.46205 3171.06228 6102.912407 6430.190657 7702.910851 13210.77871 5125.560741 8094.603949 7825.449448 4257.53557 6286.075338 4993.248436 6045.004198 6532.584566 6646.945565 9505.289961 1452.130718 8759.165814 5918.441858 3520.460763 9496.477755 5472.703449 6366.55837 4493.406305 3743.15272 6887.112665 9991.544805 6044.056819 4010.859354 3866.968252 8646.54346 5985.826661 4904.127048 6814.052108 4023.051103 28999.26354 4133.244815 4176.935365 3971.596595 7536.97725 4379.172011 5540.398211 4350.44551 5664.339296 4380.091261 5810.531628 4410.305811 4096.63369 4880.680255 7299.428711 5657.98116 4561.188512 0 0 0 0 0 0 5062.698012 5127.991313 4208.528676 5149.760655 5276.747308 4535.615347 6363.261838 7128.776606 21997.74402 6002.666512 5909.765029 6565.567977 3002.53778 7835.560821 6571.946002 5751.097321 5162.881966 4593.753244 6319.844573 6751.337034 1468.372192 6550.601963 5589.782143 2428.246998 9004.568698 4892.386788 8906.596762 8717.273464 4651.470367 5397.359572 6082.481883 5414.708418 6060.58044 4782.356933 4407.863677 4444.208732 5158.416364 7550.605546 3584.865927 9672.673864 7533.1115 5452.893238 4868.317766 7600.732614 6162.911268 5898.074681 4798.291804 10880.28375 6668.190399 4351.666658 4530.744147 7851.560392 4095.57213 8015.314175 7185.382054 8273.545047 1990.815755 4973.3237 5638.684512 5903.966968 5139.393859 7581.532315 3717.483949 4833.08358 5528.476739 5022.399468 5490.838442 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4402502.174 6023981.84 4521167.238 6862268.684 4111412.288 6753840.353 12957386.92 7732417.458 5936339.672 10664.85956 4135.441553 3729.240937 Sorbate 0 0 0 16239.04325 15887.72795 17327.35419 12403.37583 14546.79496 10847.13031 13824.47095 12843.31893 16381.18293 13228.9203 14668.33918 19879.46866 11656.20367 7653.530199 10524.64845 19519.7015 16901.2761 11587.3637 11848.59094 8627.101162 18610.08946 11940.01912 12443.90351 14608.63884 13229.44027 7046.872652 16076.37218 16309.44834 14772.23763 10781.19595 10828.1804 15610.08194 9955.400595 11700.69864 17542.72965 12193.11807 6095.714772 13048.64154 14851.19464 10320.04893 8913.679078 10469.41878 10996.51137 11221.95734 15084.2016 8663.066427 12905.19343 10578.36125 17692.64434 13316.5575 12196.22392 13007.88728 10570.96936 14247.7851 10520.08061 12098.33448 13370.02744 7422.682153 7502.280788 14456.57807 6550.525693 17984.87811 11859.97447 6893.607334 10494.53866 8883.165752 6202.83599 6230.385377 7970.53762 12985.05113 8361.109774 10696.09383 11581.83669 8752.756544 7683.382596 13999.43922 13166.19796 11537.5801 12775.20109 9587.364858 14669.48826 16347.26208 10510.18591 15357.16173 0 0 0 0 0 0 14368.53842 13730.4634 15915.85969 14567.46808 11447.39464 13474.84308 12056.64093 13295.84512 12191.21605 13085.61003 14067.8525 12612.38756 11711.30356 16084.82333 13259.55248 11260.43065 13990.29423 11702.1493 10602.05779 15326.49016 11653.97475 10809.48567 10328.0704 7350.402376 9384.14613 15283.75022 11560.97268 8455.252992 16946.57749 13492.09437 12043.70538 10197.50037 11127.42596 11220.09429 13485.3787 8575.840823 9951.118548 8277.401105 8531.534877 9822.518302 17071.27859 11182.80418 10877.96449 10372.75062 11103.27263 9977.297048 12892.48086 9467.449106 12742.22721 13845.06251 7408.244781 11013.15919 12083.8844 12377.48864 11824.98742 9176.931221 14771.39675 15793.85232 8652.74673 14414.34805 15217.8898 8769.025659 14777.60877 9256.793646 11372.65118 6269.119587 11609.38801 8618.676254 15803.78866 11128.40902 13642.53265 13960.63613 7003.029167 9150.947393 10648.53414 9996.222698 10785.83321 12944.13386 7159.779932 8839.266993 11723.94411 10918.15509 8818.480179 11558.23721 0 0 0 0 0 0 11289.17549 16608.421 11656.61032 11969.53876 10745.39529 13800.42983 13081.69592 11962.97847 9558.981381 12629.19773 16988.70552 14004.98803 16636.69935 14634.65793 12094.50868 10633.5741 15987.89324 15531.39497 9670.808757 8268.678931 11610.15842 9200.598415 9954.232069 12078.33411 8405.745522 14797.5857 11932.77518 13444.53203 16632.55413 14459.48801 10460.65064 10643.54052 10272.08569 10036.03939 10820.22813 9029.265251 6465.172089 10219.24058 15595.77702 7827.171033 12920.26994 9587.644518 9115.129619 23237.15788 13741.39804 13156.53843 12804.43947 13928.19812 9064.572668 15790.24385 11253.00844 16074.67919 12873.18522 12079.84466 12927.46785 8795.640067 12501.84506 7846.541701 7700.0889 11509.05528 8132.51756 10208.42998 11222.32986 8707.451021 10119.01599 6636.229481 11999.17714 10900.82236 9620.198659 22117.27294 10536.82175 10946.07012 17255.12282 42933.80383 10414.16424 13057.3886 9293.191922 17657.16406 9904.12679 8295.40009 8596.76122 9618.775908 10862.0268 0 0 0 0 0 0 13708.05796 12690.42665 11789.67234 12140.54432 12318.47041 11452.73683 9930.309186 9426.691773 7724.887749 15269.7469 8832.025752 9627.833225 10010.67773 27314.98718 5302.982536 7584.869301 16787.95593 11521.89931 11848.22297 6954.216965 6356.362217 13156.10612 7570.410293 8325.30895 11363.67244 13905.99626 10800.8299 10692.93475 7301.655097 14186.95254 10252.31094 17073.51659 8674.9832 9522.42112 8111.666875 16637.08945 10486.81163 12857.8732 14078.68488 9901.278107 7499.878945 8860.432151 9181.1187 7602.235649 11979.97953 7441.968978 7832.184533 10085.50731 14909.80976 10150.42955 12572.75163 12029.33556 10769.71326 10912.10276 10381.44228 10658.03294 8834.293288 18049.15071 13533.36393 6828.774315 6497.52159 9667.451084 10278.80038 10106.90591 9592.56783 4999.355896 17830.03869 9208.692351 7008.558816 8274.188002 14169.71893 9006.537603 13203.18271 8358.598447 12675.3025 8539.191234 10715.68556 8039.245961 10391.73357 13925.07927 16640.18953 10342.04206 10640.66657 0 0 0 0 0 0 12049.88272 14003.69569 13796.10077 11169.1932 14126.23261 12714.44894 10012.85773 10548.79557 8937.599486 9563.39571 9981.450857 9959.64896 6271.633529 11669.17263 13419.70995 9904.808572 9845.332174 8130.161359 14586.36773 11918.06693 27283.5751 8779.703639 14903.17849 10400.30877 8419.668893 13863.2334 11283.74219 9256.976912 12552.05984 10119.49756 11252.8719 10126.45509 10717.09685 27307.11607 14646.59135 6689.832609 10420.57506 14403.35935 8615.89006 11255.44789 10861.76485 10156.75702 24287.03306 15098.12511 13564.75967 7795.210178 9578.729124 21209.34824 14013.93252 6870.082704 14910.09643 8098.774644 10533.84556 10935.76302 17743.27821 22386.29861 30322.00629 8284.456044 18027.75579 10873.02768 9646.744673 16933.19389 9437.764845 12829.74512 8623.646236 7231.891816 10416.69042 7782.632362 14021.6075 10339.24717 11551.58457 15080.16301 11259.89008 11105.06139 0 0 0 2-Hydroxyphenylacetate / P-Hydroxyphenylacetate 0 0 0 22250.41945 19992.80667 18373.89513 21015.75832 20385.49535 21130.98537 14259.3564 14774.66618 17449.33853 21833.7767 12297.48051 25397.18621 16240.24093 10966.64711 17127.52027 25034.61493 17079.75788 10798.14321 13342.25 8976.274571 11962.90973 12154.17379 10687.68707 15751.34264 23157.13856 7326.011702 22066.87948 23192.34346 13110.1917 20935.89598 15529.04973 16106.25033 17624.39369 9367.07035 14871.5646 21667.05046 7713.139226 9973.772983 11008.57292 14300.25122 15007.51036 16062.20593 13754.53851 11601.11847 25625.4376 12119.84529 13191.22326 15696.50433 16760.20566 8507.816261 10670.81387 11360.41657 22619.73148 14217.35946 21100.28502 15429.88141 14589.05103 11849.5803 16389.62516 7493.547467 9622.699768 30115.85194 9574.389401 9898.527348 12867.10797 8667.963827 6767.164693 10689.2731 9203.074799 15033.94929 8435.261362 16826.50759 13123.02539 7170.079251 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4279711.062 18530761.8 8368215.176 7148567.306 4780099.327 7753.486076 3053.229734 4120.647244 4-Hydroxybenzoate 0 0 0 19406.01231 15424.66838 17645.53846 17260.09406 12542.22924 13689.49294 19469.67722 15343.98036 15076.39802 25438.03031 19707.98998 14127.41513 19884.98225 19091.04717 24085.50972 19085.196 34431.00654 18174.35553 17343.60893 15143.64233 19302.97241 15351.43464 11838.3621 17892.00226 21154.51885 15299.59389 28746.45386 19307.36794 13442.90856 13007.04687 17812.62487 15400.41568 20696.9047 10634.96029 25825.56289 16783.98637 9087.199829 9641.986123 10509.84226 16336.12494 10835.16288 16666.28113 30246.62199 11778.92691 22736.09588 9008.577865 8912.464214 19279.96659 31500.81127 10725.56588 16897.15972 11582.89892 15880.60982 14625.72758 19985.74135 12530.01888 8971.939422 11388.15288 9151.83992 13367.52237 10937.73322 17393.11878 9784.075925 11601.46414 18938.01113 13054.08107 9362.843192 8748.681079 12071.52754 8088.313282 17438.96879 12199.78807 9039.968733 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11813.25333 13168.69598 9712.848284 9151.073799 14173.13674 17502.10974 13871.68196 0 0 0 3-Methyl-2-Oxovalerate 0 0 0 40713.59382 39712.10197 37197.83555 46601.76944 56163.3279 48639.01553 15004.92209 9081.994406 29904.10159 8494.727346 41569.38287 80078.8236 12440.81747 6041.894427 4577.827959 14370.61642 20335.29265 9810.170792 11453.24179 5279.403699 12817.09765 11666.75705 10694.00634 7332.72764 8927.954555 2869.98257 5870.226412 23346.47151 4638.735328 43421.25277 15442.51777 101597.9687 30915.6211 7189.933796 14814.06502 25714.5564 6592.200413 9358.310334 8467.687019 12834.66129 6429.722528 15181.18084 4780.947564 5374.451883 51142.00577 4110.63949 12055.99651 4419.796818 17279.40801 4626.580969 51859.7713 6110.920489 35173.56851 12482.97679 8240.411605 13151.41555 32946.0023 6910.01856 23222.40156 12729.86824 6712.730333 14446.22197 5928.522217 6820.567724 7951.779344 6863.330476 4147.576158 4480.319355 5911.218003 9173.732677 4791.289185 23415.01935 16390.6265 6606.906552 4191.467129 36262.68003 7598.892736 8617.047925 3198.781204 4113.850505 3190.142665 20613.45661 9317.349896 29469.23444 0 0 0 0 0 0 34246.8003 36060.95735 35439.33312 34506.82595 28748.04526 31997.83346 11778.67221 10258.16505 17491.50859 12948.11315 7678.005398 8520.139503 11813.65895 12012.49346 5239.746226 7662.626441 5959.193108 6795.884735 11808.01526 15069.56252 12265.42933 11517.03079 10447.34302 9140.496617 8522.367587 5949.910959 10371.90532 4510.136945 4365.910536 28696.37736 7948.647712 5387.577412 12485.64821 6773.556644 11114.78575 12475.07777 5027.589663 6817.012151 8939.314501 16309.59257 41777.69229 7208.490716 22939.35572 28959.25952 15116.20901 25980.67744 5752.844024 6309.217049 6574.909497 6855.42054 7991.222584 37796.80403 26888.8572 8204.809242 13347.08216 19096.61358 6246.658351 32511.40374 8946.081042 13411.74738 18854.58445 16827.71094 35219.00408 7426.275343 4585.550075 4630.657177 5260.324712 10093.48215 14980.89943 11956.69002 9126.203662 4840.773457 7555.287701 8081.844709 10071.79465 23079.69531 5175.223371 12723.84635 5072.368218 98881.25731 5608.966785 3437.074264 10602.99024 23023.73873 0 0 0 0 0 0 32789.39774 35517.6229 30688.04202 29509.23694 38952.03454 33765.46563 9158.916054 5667.830896 27086.18862 32282.5361 9842.171195 19165.65853 7882.852615 7259.623809 10250.70239 10268.25214 8933.563592 37756.93291 7594.845676 7582.904164 17310.72864 15983.62484 10040.99483 3025.526198 5616.620029 5739.120379 14716.89181 14355.0759 9182.574957 25648.30458 7296.196929 7317.336898 3817.402969 10112.16341 3745.825426 8983.523021 7373.119595 9520.719129 6016.667434 9844.418864 47913.61183 8793.190074 5958.559579 8692.240039 9488.554844 7665.76345 8426.501567 3402.048877 6012.255579 4141.440373 25571.91355 10412.14053 26074.2868 3792.637191 4861.04712 5902.359259 30491.40364 3596.253527 5336.927672 11153.2286 12343.65385 5807.478415 6433.468848 6772.687828 10591.2929 13105.24839 146361.101 9467.267255 8758.172261 173400.1013 15638.29452 19448.46673 76793.96171 46586.65135 6062.162068 27067.79256 5167.167592 33305.88709 14237.44353 15823.26676 15826.0295 6942.332447 29441.77733 0 0 0 0 0 0 25689.57805 26685.54668 28500.61408 34569.37962 29475.1439 26336.7163 6254.154069 6933.374266 7561.920861 18272.4946 9746.217381 9413.878138 10730.6197 54115.68158 4764.465679 6869.816593 13472.35188 6527.264883 10071.85285 12091.68272 21184.34847 43787.0598 6173.513729 37365.95594 43174.71683 13965.04989 12159.29178 2429.446231 4627.514608 26155.03529 9207.652173 30344.98319 3242.877227 8839.878957 12780.78385 23017.83439 9692.817406 15045.77945 6673.084769 7313.15943 8159.154485 6261.851505 8989.41844 34191.92712 28937.64529 7960.988658 16367.05217 3450.355577 29115.98411 10672.14246 9401.946016 62474.77782 22792.6654 7436.889462 6804.512496 3772.848338 18569.57958 8839.623916 4329.308342 10533.19078 10582.9142 9159.165828 10212.49959 11962.594 6433.989365 5984.315563 119508.2506 5003.635614 6070.036266 15295.32965 16351.08174 3596.372121 11139.22159 9278.656843 7189.961126 26643.45282 5805.033153 8426.138324 7315.13463 5772.599673 7541.922996 3578.309257 18257.33186 0 0 0 0 0 0 32066.57268 31659.70404 23647.06124 21743.74399 20103.35548 25664.06524 4653.114262 7119.717041 284466.2696 10373.49434 5641.932835 9896.614273 5415.725583 12102.49331 8274.623213 6540.98501 8541.058899 35195.19544 5324.432122 17648.97737 2946.187368 15995.00751 8129.604313 3515.981697 22327.97643 18018.76178 41937.10569 10247.35549 10412.7876 20993.66152 7138.5636 8481.243493 3906.63705 8278.434879 10564.04302 5689.563145 9339.973288 6545.474903 6220.055748 11613.61687 17350.93403 3490.149368 12509.42595 26257.25356 4296.683797 15719.7864 4581.978953 10734.35276 8878.940368 15564.47314 13414.74759 7095.25606 17953.38798 7057.186209 17785.65257 18230.75105 12365.60331 10108.36846 6721.906783 5815.064777 7766.796416 8311.464312 5566.113679 8134.398029 5850.267478 12454.87606 9791.77251 6302.780751 6465.084524 4748.849285 9183.982305 6467.097427 7058.236684 20178.50468 0 0 0 Phthalic acid 0 3950.460813 3575.053218 8651.386307 10004.56598 7181.441164 11218.123 10909.10067 11042.21423 6181.298732 9839.896295 6605.369457 34141.90825 6809.793185 5937.797456 7417.196753 5583.546393 4732.902229 4226.383709 30966.3586 5942.519309 5287.265372 4152.763148 5206.448763 7463.755417 5523.938811 2623.128508 4221.887921 5615.145128 3873.925058 6421.210059 3128.917937 7913.154905 4919.837111 6847.414885 6508.17963 5512.977081 9603.021507 4452.162229 3754.921298 9119.280718 4034.591216 6803.027936 3603.429407 6507.632205 4853.516009 3514.193694 6498.445553 4476.338534 4549.627886 3381.041931 8521.644744 4962.479236 8831.359209 4309.786637 6357.134726 7956.293823 3792.238541 7336.584987 5695.037554 3135.822157 9391.678385 7740.311939 10193.65347 14025.24674 3989.582378 4436.426139 5911.26203 3212.057696 2769.456674 3645.683592 3026.338028 2971.619815 6146.564926 3485.580849 5764.182134 5285.814682 3957.188325 6802.074287 8909.368108 4469.661982 4600.005951 3984.713782 5965.933693 9172.580843 7448.526553 6850.520366 0 0 0 3818.610775 4807.967496 3604.689904 10245.01048 8460.997335 10842.17261 8825.818923 5980.592643 7873.548434 6940.108296 5070.058922 7569.778769 21633.79266 4691.979995 6428.995491 8335.894403 11216.97182 6244.039396 6384.593078 14462.63896 5024.552048 7794.457793 9942.93677 4434.683708 4386.725961 8308.524591 5218.317419 4874.729794 7948.210932 4787.195928 5025.6822 4525.261235 7379.120066 5796.94295 5957.813329 6332.309007 4170.857312 4796.218068 5582.601195 4470.563033 6110.366964 7194.103804 7978.085453 6722.868592 7171.259304 4439.399933 4992.82463 6012.456523 5830.994545 4442.711031 4803.15119 5529.727525 8903.248866 7340.401739 4196.54821 7364.18224 6654.844158 16703.27768 5853.343445 3894.213859 8966.830206 4923.524897 16359.23121 3406.857558 7453.915274 7789.182374 4095.352185 5000.376897 4352.828301 2410.135921 4150.276859 7533.348953 7520.69084 12299.17166 5816.405616 6608.579443 5097.104704 5995.414802 5891.837753 4090.726781 5897.93674 7174.236511 4457.943539 4420.916234 3568.935714 4865.394864 6163.380251 0 0 0 0 0 0 9572.701977 7599.24568 5468.034706 6000.027511 6889.307563 6388.097335 6641.431598 4608.428669 6421.277465 11833.28629 7805.394026 11789.84189 6820.626601 3469.695174 4042.961645 5992.659735 14169.55977 7338.853435 6468.737251 5328.424295 9259.245415 8225.183165 4527.170373 3985.18138 4021.608301 6744.489401 3829.057726 3175.824754 5892.306752 7203.869457 6010.578162 4611.842545 4406.361912 4925.764364 4431.654346 3264.384789 4296.300618 6784.512555 4016.847021 3984.46213 9935.054364 6643.145536 4302.521713 7821.016534 5331.57355 6472.367407 5299.583733 5374.705613 3177.61793 9257.655211 4601.195666 6654.202719 6671.417953 7955.082306 3634.700193 6563.696785 13400.76881 3240.936051 3989.818292 7251.695303 2943.416445 5266.696655 3676.343196 5260.907141 4969.483978 4831.442301 7384.862784 3138.766393 4007.434927 11381.06924 4443.504594 3547.211634 8353.659827 7091.190674 3192.726076 9047.638693 7269.62473 9984.355461 4803.615313 5664.19232 6041.543709 8090.305033 6767.305907 0 0 0 0 0 0 6883.077817 6681.368611 7817.211573 7152.629789 7811.574839 7372.179905 4219.143169 7039.360227 4563.94919 10787.95922 5253.271548 7593.606893 5734.753174 9730.225501 6093.157907 4539.30368 10261.38013 5980.380072 3829.465347 5904.158257 4562.725688 4474.74728 5865.856977 9188.18732 5274.954857 5355.111789 6023.78149 2833.985647 4507.933537 6563.383065 5723.935757 6890.993895 6406.814319 6505.320283 5049.198554 6051.933362 6530.879231 6236.211032 3046.342033 4834.129182 4968.491704 4191.587773 7099.591443 16093.56991 6682.508275 6047.759194 5107.651688 3421.529041 5569.308923 3615.316273 4044.826032 6264.359661 5455.808353 6997.271112 5978.485839 4680.170141 4306.706846 4160.526434 3600.742325 3823.265956 6501.626555 6072.0762 5514.844333 4280.317887 5642.987496 4675.964824 6265.231483 3845.43824 3401.859072 5720.025179 3519.274079 4419.066564 4215.776697 6508.741364 6105.347473 5590.953647 6575.05034 4682.049584 8440.150579 5609.669521 10012.15097 3711.913046 4454.941138 0 0 0 2566.917214 0 0 10281.02389 6748.291589 7936.637419 5114.778881 6477.940745 7091.057441 8041.751436 8017.759943 6960.423371 12013.93285 5172.299392 8924.91495 3493.938242 5989.005485 5274.24923 5273.195496 11225.94817 8252.453983 6469.365763 6861.533701 4967.466515 7033.380889 4129.269732 4276.485703 4107.647184 5890.759008 13618.41081 6112.831306 5864.359338 5995.62092 5279.110826 6222.599836 5580.082339 4741.418036 6061.239858 5584.823065 4857.373768 5386.375763 3089.01546 6299.966516 7247.000578 6030.483176 7492.899945 8628.331195 5169.831847 12838.7306 5276.730018 4831.628936 7616.756928 6288.849009 5844.906594 7498.991545 4450.003366 5453.534528 5429.610031 6683.373583 6146.100165 3629.086343 4737.919749 5204.956994 7139.949667 4815.563146 3546.842342 12323.0866 4285.186799 6174.097876 3753.127937 4321.371841 6166.450556 6298.327686 8886.972394 4939.083187 5383.49215 4709.69061 0 0 0 Homovanillate 0 0 0 9463.323288 11360.73991 12093.11613 12476.94365 13925.50557 13054.82247 16696.23242 15219.14664 15067.42156 15785.79096 13331.53 14209.36566 18965.97522 9477.834989 9638.895942 17384.15539 13786.55066 10064.77439 14152.83174 11844.93456 21544.87913 15545.20006 14040.8767 15562.41962 17811.22694 6217.46398 29083.20718 27792.48289 7236.387854 9641.183714 15633.77489 14613.15451 13105.99046 9606.923285 22475.48418 12238.51844 6031.116266 8953.378457 8680.689214 13660.27787 8205.239212 11917.11995 12471.73898 12557.40927 19321.3183 10171.53917 13331.10522 8488.630489 16769.40976 8444.801825 12263.01972 9448.188194 8332.2358 12637.84111 9849.604367 11581.96949 16110.4888 10865.28915 7561.222633 12316.68078 4877.692139 22570.78854 9243.136482 6982.143334 12130.57627 10238.60606 6374.664934 8185.661586 7819.608434 10505.80149 11542.23652 11306.31277 14077.71656 7065.95281 6893.806591 11663.32696 12113.67261 9032.039327 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12896.49596 6587.380678 13959.98425 14726.10773 13832.66217 11615.19769 8982.92975 0 0 0 0 0 0 12412.08859 9534.860416 10038.80371 9573.13423 11371.44334 10091.80436 13031.89029 11892.07892 12074.40299 14301.87459 42051.03162 26874.71638 35703.4739 20387.17174 13106.03115 18567.01455 15282.27548 15463.55053 12652.05117 8005.66962 18474.86592 8215.675509 13178.20609 7890.727972 9588.092939 10018.29016 9292.972208 9841.027411 11798.03932 6954.704394 12208.18634 7684.188721 8371.832025 7238.903982 8844.249627 8897.389007 8006.128254 11635.0636 14325.08363 8530.744723 21387.35616 14044.96861 10439.59488 15262.78835 10275.35905 9507.125901 9843.52236 16783.58983 9304.245381 24371.4234 7630.418508 9462.738303 9104.632457 13201.52638 14086.20806 8181.072658 15660.97472 19035.3785 9335.956794 15031.70544 13341.96315 12860.86878 7118.235049 15690.65882 12704.21222 10962.12556 8953.425189 8914.493839 8433.098518 37495.97178 14834.14339 13615.88202 20229.58451 13166.83648 10198.02406 9157.215215 12357.39334 12633.69133 9931.069184 12933.30385 10912.70548 12449.41283 8381.386784 0 0 0 0 0 0 9875.821132 11653.90222 7232.483082 8338.245846 10682.34188 9984.086019 11871.64964 14552.33819 6750.718777 10937.06688 8093.091128 11160.5252 8689.272032 16485.34347 5415.810442 8744.815681 20584.40955 10507.85801 14067.48422 8649.153893 7331.23639 20244.40089 9147.338071 17471.96311 12893.24514 10881.50258 9833.422792 9035.296921 10487.75118 9455.341836 9833.274822 14020.01513 10166.5729 11207.48111 10648.00262 12382.48382 17458.71663 11278.84963 16376.00286 8771.00236 7841.706411 12996.84763 13146.3476 9919.678669 6738.557023 10791.39181 11336.68107 12129.31052 20736.21346 7625.309528 6773.547388 12775.0129 10626.16681 11536.61128 24833.25595 8378.256397 10292.02153 12126.62793 13674.56754 4648.326529 9235.746548 15279.44215 12117.47259 7851.696355 13642.20564 7132.298392 28139.51792 8951.024999 10790.19001 9798.00359 17551.65769 14655.23444 11002.17721 9999.418148 9657.345385 9569.253018 12082.45242 7977.63431 7098.575588 8899.827078 11527.41605 10700.60603 9834.829589 0 0 0 0 0 0 13501.32089 10543.7783 8013.835815 10727.23338 11140.36079 11438.16506 14331.49658 15452.98019 22200.91926 9549.113979 11477.05904 12980.82304 6242.064536 12400.87903 13631.7966 10872.35113 7740.238276 8950.984856 14447.01827 11632.5574 6572.459838 10946.83498 14918.54726 9828.76822 12679.87021 9140.923504 17832.00463 11128.78272 8519.01574 8840.480991 15030.76132 10912.09003 15222.18811 9193.454774 9146.61644 7724.008381 8323.920437 13160.12567 7760.691716 17091.94406 10470.71098 14191.64859 25704.5802 13171.6316 10719.82707 7587.057933 11761.11562 19970.22069 12825.92652 6990.822842 9815.861123 14053.64428 8729.163898 14957.44813 12257.24002 13474.95661 7999.513419 11366.63168 9352.590479 11371.31479 8532.057313 13214.98233 6972.577803 11071.18883 12357.84753 6627.347688 9721.007472 10689.05938 10561.2297 9141.973425 11742.61767 9265.6809 15080.35153 9746.172553 0 0 0 6-Carboxyhexanoate 0 0 0 71099.35779 76720.45333 74514.85503 71087.51613 68543.00038 66649.12702 78429.84576 84719.3686 58412.87837 68878.73378 44899.5499 62478.75781 64680.55607 59184.19648 62648.33426 65114.08103 115744.8019 49757.79843 68840.36901 41660.66627 75498.56248 56462.49469 52068.01161 64339.507 90716.85787 21752.27369 24273.93391 71376.81349 28595.04643 59180.45766 71341.39718 114165.1605 88344.33977 110156.8118 114171.7557 64223.84097 37484.37425 73305.19709 57174.37279 78911.46257 49438.57655 71063.93261 57975.46654 118714.6976 122725.3893 76397.64482 56102.49757 40522.02653 82712.93183 41195.58556 66994.87836 51441.14665 59075.6124 64179.21807 41287.01054 65784.29263 112735.2355 48228.51033 46781.25327 47693.8204 23480.56584 216162.7269 44838.72021 24295.8544 57997.65112 93636.16525 38890.01122 37155.14063 45410.19982 83481.70676 29055.76012 67012.08205 75402.98437 23980.73106 30825.38616 61752.07563 68784.4642 47576.29383 38040.8092 37178.08829 39578.58833 44797.20128 63284.9574 59267.63104 0 0 0 0 0 0 73742.86992 73813.99134 71353.2089 64502.45587 71119.63171 59907.79032 77607.67839 79110.96365 89926.37707 116193.6402 68626.10307 64186.92047 41194.89224 105073.7782 120399.1838 68763.27413 51564.84591 60170.06845 81415.58798 111544.0576 91840.14074 74843.52687 54369.07648 53679.84869 47319.82647 83101.34447 53669.8334 63942.82284 50506.65244 58155.77642 74252.83178 37169.84262 74235.71048 56705.70816 87081.73248 110264.0297 36994.90812 29313.76019 62759.54295 97981.42513 82279.75259 72655.27521 73043.77612 57912.55263 45448.39795 46347.59775 71832.66781 49417.86653 74981.10263 62666.62131 42029.27032 65512.5624 55385.86252 64643.4782 69193.91251 52893.02245 69188.52634 99706.19291 63561.47467 84685.48141 61856.1532 48821.23225 82154.07377 34859.06151 63953.7876 36788.13242 54319.75155 30970.07667 68127.77556 52959.72691 80263.89547 39560.58787 29066.08095 46842.78543 82367.72914 49731.66767 63978.527 77315.35451 27979.80435 62753.80374 34752.23255 44389.14172 61697.64181 55028.30026 0 0 0 0 0 2072.596748 65306.24023 70292.66675 69223.33584 63787.40141 62390.65774 61461.63128 66707.6441 64443.50583 48661.89396 54661.241 60329.61296 114549.0459 45819.15807 58448.49622 48338.14308 70779.64692 53471.26872 113372.3345 71168.11652 31273.63314 100084.6128 39571.31041 70528.29093 50660.92908 33251.23213 56947.54537 52805.12684 58061.39977 54684.69288 55609.89068 67705.0765 55809.33168 53169.72347 30331.67813 62730.25986 36553.35051 37993.58149 100856.186 61552.64256 30442.04659 148390.2016 75358.12916 44507.10697 119716.6682 62994.87216 41158.39652 86067.43247 73745.86856 58964.44514 41951.3661 47863.98355 52885.76052 56070.14579 68492.08605 28353.95004 45434.8765 155052.4121 26061.54102 32031.47152 75975.41199 109357.3002 32547.61088 32931.50054 50135.79652 68293.57501 42654.25001 46574.98251 35351.79769 31821.64504 356520.0716 82403.32099 60535.02834 123691.8766 214444.295 41493.10939 50218.59613 53757.73535 62685.90046 51926.6304 47509.37548 59269.53205 56633.70705 49886.12781 0 0 0 0 0 0 53745.07731 53020.0424 53323.28081 53891.58601 49719.03535 51305.69195 65729.31661 67899.02621 31421.49987 82872.39421 46487.29791 76211.01075 60237.34874 513756.9487 25438.95411 53076.69156 158123.7445 51070.11005 65525.23976 55636.86751 33461.02835 74265.19713 82837.82681 149053.3745 63864.6967 87068.27704 52817.45509 40770.9747 54688.4008 59000.26749 64674.62551 97655.88751 29555.73891 87076.35804 50094.09734 80594.24492 131966.3815 102646.7998 59617.68053 59618.16218 44278.92212 60586.01992 96154.24466 68996.02713 41832.10588 46546.38996 93571.01828 31332.41601 61784.11174 46095.94014 37600.54657 63243.41072 51810.75677 57651.39193 47010.30501 35085.22656 72527.86581 148389.7014 42617.77065 19302.69317 46784.16126 44722.34975 73062.30435 56607.25275 61634.63398 22144.52717 197044.3032 33156.11071 23222.88666 25878.78457 62519.02135 28328.5939 80268.3239 44970.60446 57444.87205 49270.74442 55942.31022 26562.81663 69667.6859 44798.26359 53577.67139 56393.0098 49754.85816 0 0 0 0 0 0 77296.71963 69632.08749 74976.64298 64618.8562 61312.2625 59415.84341 70164.52288 77070.97596 65234.51572 39443.20402 63120.88998 78910.11393 28560.05872 70448.50557 56087.40579 34808.28037 32117.24292 37117.75486 68439.80152 55366.49845 21720.75732 70829.11401 62035.18535 37192.14082 30860.55053 62431.21842 83640.33504 45068.75329 34272.70583 52075.84947 71165.12873 59326.90324 73917.53625 47437.42033 56424.97337 33723.19047 32669.95009 51668.55247 29410.17568 83096.77174 89106.90091 69532.38687 92220.58853 70458.15346 49894.26426 56746.71855 70921.44371 49748.92714 55172.94662 31863.80665 34816.25529 38039.93472 44286.67305 66781.32214 69557.62968 69941.22115 31808.16667 121965.7607 64454.64996 95236.73503 55634.99516 102244.9155 53890.28769 44723.23454 56197.7308 39788.51343 30074.10049 55299.78903 62253.16938 35783.05397 68622.61446 69742.57508 60029.44065 48857.9661 0 0 0 3-Hydroxyphenylacetate 0 0 0 9869.27438 11561.65342 13152.40179 10402.35026 10398.80393 9945.800391 8555.258799 9935.35318 5009.720078 11063.44268 3793.094718 4259.94722 9558.702855 5216.492261 8101.23749 7025.402109 5139.890977 4770.797616 7033.472399 3238.62752 4618.875826 5331.794052 3988.392872 6980.325103 7839.630412 4372.125091 5957.839549 6462.89038 3659.180167 7965.471788 8421.228489 3818.231339 4358.701259 2550.902799 9010.712326 4579.437704 2311.661058 5753.540995 6611.239763 3140.870532 6440.89704 8186.696158 2989.89198 3154.569188 4029.43349 4685.524629 10535.96259 2839.961831 3069.166886 1805.885455 4299.057273 5658.364426 8248.331247 5765.86718 2798.433373 4632.158979 5710.364183 3347.859482 4165.780266 4367.883258 2784.851929 9237.083599 3957.388332 1643.041038 8750.617838 3349.474183 3564.230755 2365.749649 3283.720199 2903.170126 3563.802532 3445.03977 9460.191521 3039.434621 2865.413518 7760.071808 8496.606113 5156.086229 3407.021973 1816.902176 3342.905395 3195.212399 6628.113743 7620.712426 0 0 0 0 0 0 9175.03579 10837.43229 7892.51283 10106.91289 8408.523961 7985.912641 6275.986444 6934.889682 3637.90241 3596.060958 3856.864254 4113.80368 3919.743051 5194.836383 5801.908827 4493.922736 4337.932265 3149.56565 8215.202173 7341.162812 7182.292185 3416.169094 4063.895233 13169.58855 2300.499613 4054.779391 3924.403125 5267.310916 5695.749676 7007.701829 5936.785456 4608.724079 7027.701447 3611.759213 4935.490409 6790.291849 5461.560124 2558.232239 2206.901223 2657.491174 9033.966876 5805.838862 7836.791081 6627.856177 4199.818896 5386.16565 6147.017541 3116.325404 4254.75106 3083.514473 1755.483279 4199.806218 6057.518683 7250.45032 9291.224703 4705.625277 7086.067475 3549.882526 2350.051915 4771.988354 14337.98687 3467.039952 5489.417811 2791.040091 6838.373584 3963.403731 9867.708999 3648.466245 5964.986455 3088.594928 4190.84405 8064.612397 3191.533651 6952.856292 2071.074588 6936.081577 6722.329474 4039.375336 2691.923419 4716.964684 3993.76096 3966.688239 6839.417174 6736.958228 0 0 0 0 0 0 12649.67845 9997.192683 10915.76901 7369.676175 5628.097174 9367.610514 6849.08945 7599.928091 4753.142697 5882.349514 7127.30957 3933.934452 7855.184857 6675.265739 7053.755777 5363.6542 4949.690239 3299.833846 8186.254401 3469.0858 6525.562804 3183.254566 5540.839386 9000.311484 3588.543171 3727.956722 5047.035327 5154.977583 5460.676503 7460.808873 7317.040385 4045.555183 3560.113934 2726.172606 4718.584612 4682.590811 6498.410523 3691.605417 8400.10256 1861.535328 6351.571199 5762.031075 3880.405275 5317.216103 7979.324452 3998.785106 4151.754636 4300.799754 4513.763702 11681.37684 3533.960278 4515.958356 5652.689758 7365.038284 10478.28718 2956.432476 10183.67829 3389.959541 4549.222656 5739.482716 4350.649308 7221.723838 2344.288368 5558.993471 6170.506919 4800.956634 1954.433572 3833.491937 2745.789289 20743.05269 5845.041469 7577.85907 8979.098826 6841.40383 4294.121457 7178.381471 7064.151967 3844.836159 3329.752965 3655.418843 4688.096186 6041.879104 7750.045038 0 0 0 0 0 0 8569.665831 5741.803184 8306.037018 7296.471878 6552.057076 7114.730727 6126.518456 8433.00337 1777.818006 3818.331168 4295.272948 4922.085744 4492.348111 6075.058345 2253.022309 3084.349017 7272.59263 4428.332688 8878.174525 4068.663478 3807.475348 5778.392873 3554.658882 4941.975033 6789.34583 1911.416524 6100.436182 2375.185145 6017.354052 5958.686505 6544.524099 5415.628281 3191.622892 3183.325486 10089.66099 3767.253449 3664.965507 2565.874608 5565.291706 3152.804538 3208.263061 5438.46355 4195.793533 2819.45291 2286.324137 5061.36199 5212.488692 7167.500308 20849.61443 3749.999313 1798.799662 3883.757146 6005.973937 5229.693458 8010.733141 3653.520387 4115.545978 4251.497731 3415.0154 2856.267902 3968.600382 4351.049201 6107.768254 2216.303221 5808.429487 2300.382718 6724.740974 4996.235855 3179.479174 6796.51706 9609.181691 4111.04351 2014.238271 3470.209393 4813.771288 6676.261923 7002.186839 4850.672173 2983.686716 4214.989953 3283.434491 6723.820056 5902.011278 0 0 0 0 0 0 10199.2231 8043.91691 13440.69782 8368.72282 7089.013024 7446.947696 7673.04677 5372.560054 7356.535437 6062.705352 5101.049256 5683.141691 4186.20599 4279.48094 3284.419715 3965.699078 3099.193686 4153.004899 6243.04507 5174.886415 2761.757007 3818.676535 4342.755872 3148.539025 5389.11843 4183.260167 8176.642435 5249.454171 3524.267307 6337.661776 8661.076265 3699.876389 7287.147797 7050.335717 7409.300065 1434.966271 3803.704077 5423.494469 2848.610364 5725.906651 4952.690653 7768.53993 6027.384098 7684.039309 4143.581023 2978.360081 4401.353736 8609.670591 6210.23047 3328.501351 5641.182907 2964.092665 4693.162559 8937.673611 3065.221565 5435.835607 2188.494732 4272.101221 8358.131991 5657.469912 4628.436659 7288.12259 2885.602044 3385.067307 7634.786685 3079.219505 3700.026055 7560.800481 3982.106579 6618.283982 3191.825765 7460.493298 9008.167766 6793.923861 0 0 0 2,3-Dihydroxybenzoate 0 0 0 8410.012156 8086.904808 9077.578462 9717.926278 7932.604164 8086.549529 4335.732574 4319.535826 3651.734414 4914.112977 3036.131505 3556.416594 4697.314987 1742.243635 3496.509508 4307.13557 2650.1677 2351.439831 3560.777286 1399.372424 3372.076532 2888.285886 2989.493232 2714.952196 3741.758426 1696.281881 7837.620862 3567.779072 2308.360942 6309.533443 3380.724494 4695.599369 3297.116848 2247.366436 6236.815038 3402.067174 989.8533545 2499.461644 2240.809645 3355.086347 3099.17807 3002.822727 2514.727909 3189.163719 10944.72207 2012.287586 4122.033845 1444.564112 6390.593863 2038.894165 4098.188129 1778.900577 6537.066808 2864.622644 2445.604866 3923.731143 3141.433519 2526.48523 2248.51788 1760.063811 2259.539483 2629.909823 2048.115526 2167.829154 3083.544095 3373.109545 1172.636511 1881.329732 1487.861079 581.9189441 2709.767824 2630.838045 3072.640696 1741.773671 1938.765358 7174.141393 3973.656888 2678.296317 2120.51184 1695.653237 1287.114555 2947.636607 3177.339696 5994.96117 0 0 0 0 0 0 5982.79027 4672.87931 4993.042004 5379.68869 5200.280018 6863.929017 2818.475296 3225.330731 4253.702933 2276.692813 1852.691807 2734.174066 1830.817587 2960.801912 1883.78545 3741.659505 2659.921203 2419.3252 3904.156944 3011.316608 3837.775793 2945.277477 3085.933475 3325.49807 1746.314404 3269.310857 1667.428634 3525.581862 2043.611804 6376.761416 2885.539858 1993.844076 3759.53273 3037.812964 2256.421751 3293.235309 2405.505389 2346.606823 2170.39454 1580.183885 5928.896048 3943.192779 3259.781299 8104.055916 4043.006671 8125.76535 4385.556347 3239.661417 2679.708589 5218.358118 1450.562973 2589.787428 5699.656032 3529.140412 10183.68425 2366.101996 2907.699605 7191.297444 805.3366157 6776.816509 3363.932355 2796.918297 2150.310352 1557.59421 3361.35462 880.7841346 3658.886093 2167.146935 3305.082065 4132.938302 7595.416024 2421.357449 2205.958142 1425.782 1213.893958 4943.339739 2871.425616 3205.62898 799.8963941 4312.390176 4662.966805 2160.455538 2932.693574 4795.443333 0 0 0 0 0 0 3136.865393 5597.981399 3855.981334 4810.111213 4771.398027 6409.607445 3354.017518 2663.691511 2365.406868 2078.033378 2891.217464 4240.893973 2871.268641 5438.369604 4758.879736 6319.839922 3501.152732 2747.184001 2952.566996 1981.118047 4048.055605 2582.450273 2032.799046 1596.218207 1478.135464 2470.549354 3284.861298 2406.287184 2518.675748 4457.582359 2612.712524 3749.228905 1744.085084 3577.008861 2775.59398 1521.60198 2745.737234 2514.202301 2297.768662 1960.764719 2270.615165 3457.238165 4140.08548 2619.877454 2817.079487 1706.907905 2331.680483 2954.022247 2695.140992 2954.783157 2740.188135 2406.458465 6333.503688 3238.716219 2089.23381 681.8925235 4508.604778 1650.391254 1600.184413 2060.801028 3903.780358 2313.881514 1446.413202 2168.61995 2718.071071 2008.374612 1374.746465 2572.811084 2692.37973 15898.15837 2351.690956 3791.387449 5995.229195 2932.268157 2064.016808 4613.214917 2513.231758 2471.099111 2641.118645 3663.20992 1260.322424 2891.881763 4120.456374 0 0 0 0 0 0 4150.167204 4548.047355 4928.50783 5677.834449 4154.276483 3453.140556 3433.951476 3785.385179 1667.274838 2689.743281 1689.292135 2378.911381 2985.823999 3271.379661 1339.112706 1954.987744 4673.103762 2103.191017 2662.521583 2054.665749 2178.487052 2768.275066 2300.798561 4545.681892 2988.482287 2971.831081 1423.702907 2736.741827 3626.418088 5057.441585 2448.56245 2884.845162 2025.834761 2281.435727 3208.885436 1885.558923 3459.571511 2424.181416 3312.941619 3034.958076 2715.148598 3218.245712 2238.768857 2905.841743 1912.010652 2840.438324 2471.918799 1548.278475 7246.150736 2355.793594 1822.609737 2098.285768 6522.622308 3517.352971 1899.256324 1993.271768 3149.9657 2851.316545 1948.128322 2036.125489 1431.383431 3287.949129 1135.646335 1844.070769 3096.802156 1190.791772 3242.731352 1901.70766 966.708272 1623.85488 2389.917743 2993.483346 1312.188356 2547.412701 1214.233223 4057.598931 2595.379377 2648.956299 1051.794099 2661.011103 2117.887504 2733.702369 3249.017808 0 0 0 0 0 0 7332.739965 6143.84591 5228.179729 7363.288965 5624.219265 5827.322359 3369.491493 3839.900731 3657.672533 3949.195367 3031.177004 4647.537134 1908.890513 3382.483691 3068.237978 2590.053136 2254.356948 2559.832471 4830.812145 5266.398037 2184.99509 3275.583702 1389.364654 1671.821618 2451.040993 3773.821208 4099.935122 1992.196687 2658.085389 4218.769361 4011.873012 2664.115028 1990.979461 3048.781159 1542.851703 1931.78346 2583.722161 1890.050011 1990.061184 1654.342864 4558.400989 3369.033624 2596.953598 4005.044622 2425.243304 1807.557563 2236.502613 5460.121281 5359.584861 1729.291866 1164.970396 3466.114583 4553.592936 3619.946377 3146.448507 2509.322329 3390.179532 3768.907433 3095.949932 3859.764038 1796.790919 2452.796317 1514.081536 3063.494474 2375.173413 2077.760171 1960.979852 2097.949006 1464.432969 2880.852137 1487.867477 1724.348461 4040.07931 3833.069508 0 0 0 Riboflavin 0 0 0 6262.989103 6445.953898 7696.332051 10790.57359 9523.386287 9749.264052 11390.59084 10433.00412 43888.08413 13005.41938 11755.3664 9108.625236 7962.369232 10222.09736 10793.79154 7573.403193 11208.01095 2985.104544 11900.28401 7266.611533 2844.322435 6683.249422 6274.345968 15083.06388 19041.58326 4443.79846 13613.876 4607.552666 7510.035519 7293.50422 11553.47123 3369.143893 5243.249595 2906.099602 6871.023057 4453.00362 4410.676706 8269.882226 3122.49358 7802.919728 4861.109096 11052.9722 7449.024285 1750.112228 6065.630313 3309.588913 14934.13957 4231.862655 14174.21176 7639.064542 7083.88082 3086.623303 9772.006075 11430.42145 8116.964602 4930.697969 9737.076448 2859.738267 5850.235283 7353.641419 3818.522498 10421.35129 7169.265369 7279.014949 11019.65534 4704.645711 0 14948.13642 2953.901866 21822.78985 3824.842546 6172.432733 4657.458534 6417.299868 5257.133834 7308.285709 11432.69662 2834.989829 4895.658814 38705.68607 4662.076942 8209.171192 8090.926706 9811.062166 0 0 0 0 0 0 5779.402761 4541.281512 5519.287184 8742.943444 8191.391765 8540.740168 9148.993055 12271.90886 3366.715892 3876.882188 0 2732.794725 7191.291701 12494.06694 5535.528558 6053.876115 8588.832691 16544.51806 9445.002508 3867.313144 19065.7299 5085.342644 15488.82486 3295.512657 4217.59248 4726.574188 8225.5069 8289.621435 6620.682063 9047.097319 10136.13917 10477.84563 14802.31685 4650.565553 3597.849419 6785.314184 4461.571083 4984.084679 4040.938839 6223.506069 18461.80627 11251.87183 7800.831576 8192.909756 3386.0607 5437.393493 19902.42077 5971.981942 6749.874085 5235.394838 3358.845613 6341.918647 9913.107534 7957.253446 10281.99159 2407.314376 11538.3067 0 5515.12907 7289.077473 8886.876188 2017.274447 6477.652923 9743.748283 9686.247094 6725.863366 16893.08167 2616.209858 11133.49266 14641.86402 6031.945288 12020.85478 12212.97604 8457.003848 8016.401884 8390.575375 8744.121783 16011.07646 3161.903585 3888.217628 23759.15402 15678.6076 8912.76785 9245.051471 0 0 0 0 0 0 5068.18189 4873.025528 5956.582082 7227.37934 10750.90689 9781.850623 9170.452059 11510.83215 3646.807898 6783.473462 14944.87657 18278.14774 7725.219681 24281.39996 11311.05134 10397.72501 5092.208744 5934.510854 11018.35442 5408.050623 19005.3699 14516.49391 6246.866488 12772.95246 10438.5607 9071.875172 12443.03696 12578.16802 5964.990965 9712.037584 8502.013285 16839.79251 6864.88248 6299.193161 5708.739532 4074.701081 3763.961509 2361.825809 28049.48967 5605.196721 11262.14328 11429.40859 25964.20702 5466.779574 3514.890069 4205.220048 4881.161132 16749.36043 7717.866323 13523.3481 13975.05622 4222.731566 7566.346635 12133.08828 8921.560662 9134.618234 14260.58245 13691.48747 6158.552252 5912.541844 4627.014228 5846.592654 4334.752131 9441.232515 11475.87004 0 14648.77912 3990.165628 3300.756667 11747.42605 17783.05098 3788.518017 13447.89063 8794.635493 7026.8793 8076.508343 9875.345704 10854.02607 7170.07746 8008.431595 8071.433631 8605.16875 7655.879185 0 0 0 0 0 0 5246.504634 5754.808437 4699.965458 9505.228908 9967.123524 8143.013331 10932.9121 9450.769461 4178.274553 3427.35508 2436.635648 1488.291755 2111.768794 11433.92306 2870.761732 7317.176516 12234.32027 5791.249867 10717.26159 6149.618159 13790.44138 3969.049961 7092.331908 17766.38669 10845.62265 5429.286684 10264.63035 4833.435239 4873.558787 9470.832079 9679.183258 6319.375929 8741.204756 3600.079218 19293.58743 5410.20606 6737.398645 6170.790948 22199.45543 2688.706929 2599.242816 8928.096131 15050.6892 3047.043709 4890.324963 9480.89224 9209.524007 2609.844174 20274.35498 8721.503847 9710.790156 12815.24093 8466.981245 8602.213575 36837.49952 12530.94597 42027.42865 1426.690632 6996.909166 5093.959271 6191.81047 3652.544021 12958.88882 4077.39323 8301.111275 3235.122145 25507.51092 8449.257796 1083.057519 2527.551392 17269.27081 16395.41125 9686.703192 6714.386361 7660.879281 7719.516598 8947.337063 0 2171.752165 10040.87174 1224.285967 9399.456463 7833.494201 0 0 0 0 0 0 4723.065672 7682.88328 4298.95839 7608.039892 8283.725976 7096.979889 7921.696364 11085.21875 3823.467823 4939.000556 5990.36254 9744.584652 4681.005011 6718.988749 7473.323991 4409.484267 4953.279545 6061.436437 11914.71702 83093.18408 4004.340618 20733.22522 3068.327694 4532.619948 14480.71545 8191.448857 12663.96903 7908.558654 5375.402232 7888.843811 11064.70148 4319.27464 21710.21821 8198.556892 11917.82754 12892.95703 15151.10821 23399.21254 6826.165633 4389.919862 10934.76516 11197.08172 6258.650034 27866.57953 14089.69243 10895.53767 4052.158292 11970.06573 8429.897695 4214.405658 21597.54831 10401.2926 8365.791771 11922.67185 16482.12743 13865.10396 32728.10617 13174.19661 14309.10752 8758.210037 2304.452082 9408.877032 3195.559989 11378.70036 9468.005852 2667.533345 4662.708266 4507.632585 9426.247408 3745.708387 3682.593329 29296.8447 10164.46215 8923.26538 0 0 0 3-Hydroxybenzoate 0 0 0 22430.85451 22352.33308 23491.32179 20088.86522 19595.03884 22047.09179 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2119.36425 0 0 0 0 0 0 19123.34015 0 3115.165402 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15385.94223 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16323.57856 0 0 0 0 0 0 0 14295.32728 0 0 0 0 0 0 19467.84269 23554.16748 20146.88709 17870.15238 15870.21436 14148.98227 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3061.886221 0 0 0 0 0 15889.33804 0 0 0 0 2951.818911 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17532.11335 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13656.35387 0 0 0 0 0 0 0 15087.82331 0 0 0 0 0 0 21570.92766 19451.93626 20760.72655 17343.43161 18585.28396 18003.82954 0 0 0 0 0 0 0 0 0 0 0 4327.125129 0 0 0 0 0 0 0 0 0 2312.719343 0 15262.76966 0 0 0 16188.98795 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14067.44093 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16031.65494 0 0 0 0 0 0 17408.11413 0 0 0 0 0 0 18286.04927 17928.94191 17647.90529 14162.63603 18310.77114 15226.35943 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16970.13218 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14546.89719 0 0 0 0 0 0 0 0 0 0 3912.642652 0 0 0 0 0 0 0 0 0 1598.441998 0 13557.10105 0 0 0 0 0 0 15594.96972 0 0 0 0 0 0 21631.75743 22073.5189 22887.6338 15716.78396 18158.84271 14994.60634 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14370.06309 0 3502.794038 0 0 0 0 0 0 0 0 0 0 1998.511311 4104.193585 0 0 0 0 0 0 0 0 14445.13189 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12812.2078 0 0 0 N-Acety-L-Leucine 0 0 0 5723.324548 5322.776051 5305.86692 6690.649057 6739.68033 5486.136417 7715.450422 7329.897567 9955.613107 7020.57188 16074.30831 25283.78413 6604.710183 3296.334488 5461.189986 5355.280928 5291.456818 5039.644227 7338.282105 1467.197192 4697.44657 4184.111204 3703.061038 4214.586267 6758.525247 3468.153036 30019.12842 4531.910233 2156.237204 5662.998029 6572.436705 12523.08132 19277.17066 1521.050383 10841.29017 11538.35128 3220.484425 4656.331961 2756.955978 8976.597368 2046.41444 5643.666786 3763.251335 2824.981201 14694.20261 2262.033375 3720.412106 2271.832439 12254.88486 2093.285726 11841.44018 2636.568899 5497.685816 5606.493654 9183.172781 12520.08141 7835.825626 7700.728386 3271.305298 6661.393304 5275.630018 6331.205682 6793.257627 7438.750314 5390.088725 3677.208747 2704.972371 3303.710676 1320.131432 1264.139625 2353.687563 2014.040108 26244.27137 4105.626914 5400.721605 4419.386154 5663.047719 3312.57167 2814.997904 3672.53491 2789.985363 4945.426186 4782.892879 5364.187673 0 0 0 0 0 0 5517.016114 5521.260369 4837.720941 6074.092254 6603.746572 5323.131388 7212.465543 6324.024919 3620.717725 3578.71574 9459.526294 2598.924461 1987.338319 15477.05455 1876.114701 5317.875044 1869.196406 2837.569248 7587.928807 6720.040444 10410.62957 2793.763587 6496.290272 3945.020911 3580.603453 5010.991608 2291.577228 4386.737727 2477.01279 4537.553021 6233.800801 2817.476402 7945.594025 4162.650506 3874.37432 4474.396275 1607.590306 3495.399728 4394.258723 2161.401006 9663.838296 5943.100983 4107.838608 7944.498988 11615.63336 6248.370696 3568.938459 5603.878754 1845.288439 4140.036562 3295.143215 10848.26401 6081.951524 6541.937224 9278.497666 3474.89257 7976.614911 6212.890498 7155.954609 6047.815752 8230.488116 6094.594629 3469.529619 6752.375513 4442.472913 3641.19185 6301.736063 4537.694773 4751.567229 10677.12311 4521.76481 9204.973658 3545.111704 5089.686288 5992.586072 3872.791769 5128.125888 7356.475968 3700.483554 6823.337951 10508.54685 3275.901623 4930.603173 4584.683335 0 0 0 0 0 0 5221.317037 5728.564133 6223.94575 5571.812759 5197.991889 4782.233857 5379.544982 6066.738134 9160.618441 10754.99882 7208.917547 6466.875981 6516.729603 9953.216518 10413.83581 9940.510717 4282.336468 6524.246598 5606.247365 3572.967452 3365.316061 6512.850388 2443.550594 1689.111859 2029.446152 2009.686603 2429.848919 2733.810877 2639.264707 5056.234987 6159.627111 2703.163678 4281.899258 10447.03043 6594.794528 8512.273323 7407.12845 6689.433026 1757.311321 4933.460682 14405.88705 6257.967274 2153.950931 7714.995391 2622.719339 2218.766203 6458.526645 7333.440966 4180.168958 3836.709406 2123.960065 4273.946771 5638.138813 5649.561468 2230.647752 3883.223742 4896.005696 1835.260294 1281.367017 6375.86466 3110.933763 11383.79137 3680.048675 3639.017186 5963.910494 27912.36869 3688.94554 4941.568987 4793.409545 5261.250779 2142.855867 1631.82251 4600.354056 2579.060323 2042.329819 4750.670772 4348.645417 20557.98844 7253.560742 7575.045321 21597.06798 4338.328893 4255.075877 0 0 0 0 0 0 5628.786155 5203.100617 4233.744075 4907.233213 4556.434559 5434.250181 5897.186554 6126.217993 3279.444293 15210.20005 21093.9375 14563.17708 17917.85017 5577.993833 11366.60336 5745.094975 14837.22376 4854.296587 7559.674579 19005.05964 8395.653046 13651.79806 8318.970068 11376.44546 27536.56116 9075.367064 7837.648504 4343.68853 4496.771801 6327.305692 5543.581006 10644.98296 3651.83941 4297.244478 11494.89442 8250.80133 9465.028478 9649.725301 2499.138766 3975.04655 4681.554415 5216.274142 2385.579288 6386.164729 5253.23172 4414.806069 4979.925327 4069.06087 5729.686983 6588.96529 2231.4014 2766.128766 3993.075752 4877.321845 1757.39743 2985.367857 5715.804638 2177.774319 2024.826067 4619.819647 3983.526279 1864.71339 2741.464539 2415.487531 6495.483461 1743.775437 3950.516281 2008.172129 4930.05736 7032.846035 3050.730794 4879.542498 5358.806772 1794.237543 4693.453097 3907.112988 4336.48468 7638.756481 1722.345919 2799.029493 2832.933531 5260.044335 4923.798305 0 0 0 0 0 0 6092.124698 4425.280909 5036.090535 3969.314705 5451.934995 4765.726282 5660.255527 5260.840245 7069.413369 4126.563232 2087.641645 4152.747054 1272.172871 3657.676608 2352.249076 1786.294937 1931.348018 9110.467803 6110.784944 5010.009388 7019.378963 2828.794458 3246.005447 4465.562083 10588.41073 10597.45799 3175.927195 9189.145527 8686.196514 4690.425097 5781.727303 2462.95375 2449.225264 8518.748269 8666.948085 1571.674731 3691.846865 4125.570837 2736.24819 3050.714337 2815.347019 5908.800313 1748.953755 4519.277519 673.6394631 1497.583461 1406.28761 2771.798485 2886.696782 4061.86252 4106.50892 3178.844268 4090.227716 6410.00516 7575.809356 5508.925649 5005.180449 3036.351906 1357.980827 1581.618357 4336.497258 3927.311401 3115.550072 2471.94368 4155.494987 6762.950539 3350.686655 5043.817962 2430.531097 4762.417465 2766.022061 2489.907756 4534.709043 4383.467684 0 0 0 N-Acetylphenylalanine / Indole-3-Ethanol 0 0 0 5964.888463 4914.473298 5361.71168 7054.075121 6894.635841 6252.647142 7232.625293 7186.510212 4764.543616 5158.158066 7387.900312 11864.4003 5151.758234 3241.553769 3673.664614 6821.897742 4335.142773 4612.256632 6816.65491 3526.52937 5736.976798 3418.549716 5691.674526 6043.992373 8654.398649 3488.75959 13817.91815 5592.905219 4323.211815 6148.024847 7252.993636 7242.742464 6809.123629 3240.380898 9501.926833 5051.633437 2371.782107 3958.527195 3421.442527 6049.030781 2969.241689 5386.534154 3057.528948 3087.481621 10302.20459 1877.88475 3279.242641 3295.356168 11538.17103 2380.326009 6465.788815 4107.178544 5648.629056 6521.899706 5124.440604 4968.75248 6982.595779 10555.9585 3772.948811 4647.18817 2361.512126 8439.567401 3076.907081 5866.723377 5570.370604 3078.828594 2176.463338 2906.277642 1989.669565 2668.333434 2099.587858 3206.220339 8805.504878 2029.973582 3501.786016 4938.572946 5039.315321 2673.250158 4440.141561 3006.953027 5587.413974 3063.701503 5581.352639 4748.554021 0 0 0 0 0 0 5779.863091 5943.315435 5841.145028 6015.674086 6660.067719 5705.535934 7731.152474 7112.96304 3297.022104 2984.807172 4589.73463 2173.897445 2565.664859 9598.645798 3694.955784 3543.658789 2444.564328 2121.103099 7796.259885 4912.934875 9007.460061 2915.387848 2651.343709 3991.006969 3356.801739 4664.743707 3985.658537 2699.444167 4710.897315 5497.074879 5757.129482 3093.31349 2928.512439 2275.263465 3560.362524 3233.678137 3662.104606 1534.437409 3910.369615 2601.976254 7118.905659 6028.069379 4755.616928 6750.449997 9246.330299 6503.578484 2330.351228 7190.188725 3600.86645 2863.569957 3386.135506 3570.109789 5461.911745 6061.107271 6891.850856 2936.833084 5665.593614 4604.546908 4446.858173 9611.209629 5613.134177 3084.914574 3269.548462 3480.791397 5504.566505 2357.573431 4492.673618 3442.11684 4771.298232 5743.513096 7543.526268 6350.303864 3120.68372 5196.593223 4175.164802 3623.64533 5237.826229 5346.489812 3137.56633 4124.554393 8581.496828 2905.741141 4707.183417 4398.868374 0 0 0 0 0 0 6035.955977 6217.0466 5631.162385 5788.835269 4330.778029 5699.737344 5795.898482 7059.59928 6018.772872 7023.611065 6760.083785 8048.241824 6479.02721 7214.268251 8982.586698 5203.537153 4021.508315 6497.871255 6463.125375 2397.283783 4891.687709 4287.42102 3044.862574 2967.75769 1801.421212 1478.658791 2302.468161 1712.288754 4404.011549 4511.860121 6110.298183 2488.092054 4087.065527 5217.648896 5365.802218 4695.980444 4904.798429 3148.33525 2782.734816 3504.984795 10769.61341 5431.476289 1989.37471 80985.00581 3451.896885 3101.815796 51738.92125 59424.12613 2182.772637 6385.856378 3810.576381 4237.927972 5083.43523 5439.580284 2577.785942 1634.088386 6807.710028 2422.268372 1250.309418 5669.890865 2407.643366 6962.253935 2236.222831 6434.152123 4825.073277 13026.62356 5132.117428 2907.66563 3910.157164 8124.984453 3883.751881 2293.92121 5219.815778 3664.885339 1566.948213 3350.180302 4775.353944 9367.512048 4461.053732 4453.630976 8128.873623 4589.443799 4913.313802 0 0 0 0 0 0 5660.714502 6510.802444 4343.286953 5982.308079 5636.674648 6312.507836 4886.754342 5344.472852 2478.694024 6825.912713 14851.27366 6223.899328 11391.92623 8433.239262 2814.42897 5268.945635 12266.92705 6519.6913 7857.999702 9749.534106 6466.443234 8945.711816 3631.599362 5995.867467 15590.32372 7580.22185 7178.668945 2997.161747 3844.670283 5738.897536 4423.214247 10033.11967 3165.653617 3756.428718 9670.409267 9300.049329 7661.858357 7601.90755 4689.593539 3097.741936 4764.883943 6626.348145 7423.325397 2652.347983 4887.173964 2642.816786 6625.676864 2927.803544 8701.464906 6167.067734 5923.264477 6569.237173 5975.053744 5258.689809 3062.740619 2420.154978 5308.398705 6498.852633 3337.988676 4453.396096 3105.220969 2530.291289 2838.612896 2242.059247 6755.14998 2097.893631 4215.456077 2949.471287 4341.075718 7426.652767 3410.748768 5761.19732 2146.935081 4787.940521 5127.764931 5059.578566 5888.519759 1683.723234 1371.216197 2789.020135 1774.995402 6711.265208 5648.548509 0 0 0 0 0 0 5709.061046 5431.206937 6216.282264 5846.656777 6292.454037 5030.74337 5285.447341 7808.83972 7264.498908 5153.912594 3409.440185 6352.299121 3523.396724 7448.859022 3969.269145 2606.330254 2694.111239 5342.41312 7129.073925 2747.056333 10454.30471 4115.267158 3199.354958 3918.539618 9783.625844 6328.17025 3597.549548 5234.981946 4770.998447 5672.294316 6096.224072 3275.421529 3389.382236 9611.908003 4492.676939 2186.158697 8580.274646 7721.618886 1778.876457 4498.986795 4316.683142 5482.908428 3844.966637 6383.461746 3824.919195 2889.879831 2414.498428 8899.40215 4804.879086 2111.350194 4011.529231 3034.976061 5260.767776 8819.197811 5474.026564 5499.974721 7190.773317 3275.108962 5101.414128 4251.296837 5562.730728 4703.738384 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86703.60114 6042.193068 4461.006855 9380.391838 10539.41265 17842.83313 8392.602829 4679.963068 7397.855035 8336.687399 10591.90293 3909.312989 6349.679548 10552.0014 16608.83017 14762.10235 12207.95324 9314.400214 0 0 0 0 0 0 9437.853637 8447.971453 8747.4107 10023.7448 11909.95348 12859.40274 15243.49266 11623.15801 6063.615272 6540.409591 9115.957934 12529.18739 8711.184992 19260.45865 19479.06242 20274.2125 19632.43582 8102.50757 15269.13784 20158.51948 16343.03641 9144.014298 7729.847873 9684.85278 5683.351902 16608.82514 14945.31118 15459.77652 5615.184625 9688.036549 15555.00463 7225.053201 9836.050077 9584.353468 12387.6653 8957.571768 10508.93354 9288.912897 22544.99948 7294.801259 16793.82154 16823.84897 5608.562905 12313.66715 7760.182058 6382.51727 12330.14405 20303.14315 8473.791229 10039.49689 13590.6602 8314.510366 10002.72922 13823.39926 29737.81541 4605.965313 21870.79683 5575.216403 11187.45976 6768.926394 20046.16348 6531.381775 6775.746129 10479.08155 12354.75565 11469.4328 8115.878035 17300.42923 17660.3386 26434.09305 10691.34099 7583.733078 8945.23185 11547.31983 12466.48981 8263.357625 10801.82494 8513.7343 11481.49696 10704.45376 12448.41614 11884.00518 9861.028485 0 0 0 0 0 0 8036.941038 7981.224804 6565.604458 10771.49555 10717.70378 11172.5631 13497.39715 13198.18711 11759.67459 8999.119452 5042.253145 13362.89405 5488.012889 15010.80235 9013.114542 5864.688225 29874.82282 8511.016262 13775.56736 9915.586249 12519.38092 19083.09324 17848.88865 12475.77858 22463.45896 15034.78194 9021.703496 52719.86915 15767.64336 11370.22532 14570.47692 9589.478059 20609.16441 8817.758184 11033.16363 8183.388482 10774.36396 19388.83879 19108.41753 7611.920006 7324.152336 13570.82679 9508.026621 4868.86685 6452.572986 9740.218147 9043.482696 8994.032563 9281.139299 9612.633329 6634.059521 7989.161644 8610.97652 12626.26069 21179.07065 8360.583018 16582.80214 13163.93578 14180.42151 9455.500586 6098.028884 13027.44968 7988.754133 5463.038205 13651.10784 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4415.23395 12264.47132 6575.418801 8580.13343 7182.165807 12963.42412 9036.596395 13841.1391 9124.69468 0 0 0 Ferulate 0 0 0 8734.835169 6661.53275 6829.602107 3681.506905 3360.961279 3194.212249 0 0 1501.445375 3027.497 1323.422144 1338.884578 1288.034252 1300.58048 1341.898038 1810.622933 3322.103528 1127.948278 0 1049.70455 1908.763868 966.4358526 1262.90007 1650.136225 1532.284526 1231.664758 2072.897265 2714.250152 1911.525418 2420.147334 0 2485.358299 2571.317163 1451.020805 2285.012284 2574.810455 1100.053565 1366.36188 985.7260518 1467.838108 1629.56015 0 988.7007581 1668.445625 1744.471555 1338.922005 712.2853825 948.507098 1657.704372 2112.883546 1981.12513 1513.89682 3290.42243 0 1193.452677 2394.471412 1502.528813 1151.432399 982.3033092 1806.982253 807.2194845 2732.109458 1134.280062 1245.435664 0 780.1977829 740.0982374 1659.232352 512.1265194 1982.592771 1776.778413 1166.879591 816.7171109 1060.857764 1225.386917 4903.418793 0 1729.534914 2205.20434 627.7647634 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5538.826002 3746.411503 3408.611859 3027.284914 0 0 1450.250146 4062.198969 1755.098422 3741.678565 1362.475473 1187.388957 1524.03005 1377.006416 1922.008988 2514.655932 0 1381.782508 746.0951429 1137.213716 991.9455385 985.4790388 1656.730233 1183.881638 1527.355132 1436.548587 2222.956835 2235.136172 0 1556.181218 844.7304366 1451.951426 1214.95296 1483.049605 1451.0743 1284.293122 3735.687155 767.6431616 2379.073865 0 1092.768579 1763.51091 2165.098154 1275.874176 862.3199831 745.1738277 1704.375296 856.8241956 1675.530495 1769.693889 3241.275398 0 1564.409958 843.5284368 2121.565888 1040.953752 1076.144662 1146.334939 1621.434031 1619.724418 426.6496583 891.4180454 0 1002.293618 1770.400248 1201.824473 1453.846758 5816.048259 1338.736359 992.4150898 2879.214916 2337.449811 904.3795267 3285.727851 0 2976.771691 1639.106531 773.8647651 1048.827511 0 4297.102715 0 0 0 0 0 0 6422.254337 6348.254365 4959.978845 2468.822367 4220.232892 3628.579839 0 0 1168.732325 4035.987412 1683.526088 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3148.797902 1612.340938 2797.664055 1873.436946 1453.155047 1492.414643 1413.997301 2166.670224 2252.183743 1439.298123 4320.416126 0 1312.314268 2263.524194 2835.265982 2115.972311 1179.410378 1645.389765 1867.518208 1153.840159 1731.63013 1954.012754 0 2047.665977 2494.596327 2430.787289 2012.80595 1632.992686 1314.234604 1626.780929 1706.77009 1621.22451 1422.910989 3928.562502 0 1932.484066 3024.930682 1984.422657 2073.970657 4293.065488 1804.354799 1932.026471 1353.076424 1298.328704 1764.789832 0 2543.108485 1379.048373 2104.004623 1176.501292 1389.007017 1867.160415 1681.364798 0 2746.510411 0 0 0 Suberate 6090.848651 6045.236923 5785.143323 136366.4112 125336.6978 123662.0256 94019.40247 91912.88692 88458.97261 87232.65062 80977.15993 53918.05939 118728.7794 62025.1094 82685.47467 54464.70269 93596.69078 91424.8542 46691.38129 98739.62872 37713.42144 71359.87339 65735.58456 60429.06167 38569.55534 102561.8426 66536.27572 95522.20757 22663.34133 48125.99417 71695.34321 25799.13253 90985.02126 75597.51365 140486.6896 108132.2062 145988.1986 201263.4974 113751.0593 25359.00824 41970.15666 35051.03899 55365.69022 32882.28306 67175.92276 42356.10918 59356.99079 170470.876 137818.9522 53621.99426 29527.49463 93696.01264 47581.50832 72379.51486 35259.89726 85840.31912 73669.82815 48111.73933 83601.14174 80934.34964 94294.16472 40876.35878 74773.43121 27679.80926 132578.5253 32975.65885 36898.45609 68207.3795 49353.24581 38998.23721 28216.31553 34894.0253 26863.26715 20076.53016 43677.01043 52619.5548 14561.08134 22926.57915 82405.98592 61401.15727 28735.8933 33508.21983 29597.5325 39232.88378 45510.19534 56947.63442 74946.28089 4885.713163 6079.810422 4614.019494 7715.256513 9736.604665 9664.284123 127939.69 120319.2329 115419.0524 82319.67663 83030.49667 83079.98605 75648.383 78420.53426 59907.66408 112309.1479 39768.92872 82688.05699 68068.8283 103385.2548 146745.536 60486.93701 60490.01533 65113.68402 76825.78224 65744.2553 90807.74627 69723.98018 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48830.38108 158092.2419 68868.38794 44455.84099 181333.3049 61131.13054 39731.42171 31898.87825 46675.95127 45397.68788 29278.67134 27790.77667 35592.37553 81599.38664 72580.9638 38977.02761 22260.65285 25952.56205 22943.37349 30569.5518 30769.90281 75478.42062 41754.58356 39600.64828 151980.7384 66241.44367 34393.29422 60520.50022 131240.7886 38884.77152 70363.06569 53327.7912 58822.93238 29888.46968 128962.8612 41228.48152 74781.62637 66615.57049 32245.04493 34239.005 109627.698 22580.58781 38827.51554 92378.8854 52165.86971 33363.95596 36166.40885 28912.74143 61664.02738 87340.752 42745.95461 32086.23761 26564.18616 782330.7338 131257.6064 63323.51933 222178.3182 369541.0622 38746.93872 76862.07281 58472.01184 87742.14294 56114.97809 48693.46302 114054.4864 58213.52685 67263.8447 6740.614466 8637.139364 9244.980352 6333.413642 6803.530224 5109.704005 102518.8159 96761.36805 106869.3459 71836.69128 76627.09493 68958.54415 60391.93784 54390.42486 23488.50126 80340.43534 44686.35234 46434.19782 54319.71806 756981.2328 26517.63023 44333.05775 147129.2783 37532.45335 63523.9041 41970.04991 27775.2199 61948.35946 73321.12569 133547.0098 66034.99477 61028.53158 37955.42226 44467.24464 34770.013 72670.7196 50443.16203 119956.6192 33761.85012 48415.0654 71573.05225 101988.4097 110556.4816 57758.29423 41875.94396 52063.55652 37478.59219 54397.30813 37148.24769 50189.71875 32671.77178 42638.07835 94471.98336 31625.67932 37264.13557 52823.18268 33387.43101 80997.05026 63176.51678 55299.70824 59474.14638 22127.79932 79637.75073 74247.75297 52877.50886 25366.69846 29902.25812 37984.68358 126630.9832 85505.45204 53088.97413 15537.31048 144381.85 28686.92027 17620.72685 31217.82856 43424.88803 23434.21706 146575.9469 33936.71343 20991.90392 64791.74093 56545.65758 30115.88126 97625.73939 27655.18922 42206.35662 51944.36889 64416.23186 4115.624493 3636.00515 3247.451083 3269.629331 3479.106869 3558.636005 119483.2159 112944.0298 122025.4889 82759.21324 79311.61301 76374.4364 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3065.166936 1892.387486 2998.434461 1853.188294 6287.227681 4730.68875 3961.194034 8492.785201 3222.232552 6309.958195 1662.910036 6392.232695 1863.340514 4388.704094 2225.964983 5167.560687 5127.706419 17888.75679 4968.615524 1029.070365 2427.018479 1653.179312 4493.667585 1706.034273 3585.697974 2382.22193 6951.618814 5433.249505 1911.798268 1104.441855 1091.070991 1808.583616 1377.583822 9434.665999 1971.18628 2091.610639 3324.841348 1060.745281 4151.139339 4208.292132 1005.157909 7542.852269 1192.075438 8708.026672 453.3621557 4475.919132 4766.740382 0 0 0 0 0 0 4494.525649 4300.428243 2891.40987 4694.9684 4818.787467 4968.019143 5603.641536 5293.835459 5481.145643 2796.92527 1995.717896 659.6136639 1756.038548 2945.838571 5880.244637 3051.587619 4828.717063 7020.988781 5808.209549 2691.426778 4047.992088 2838.252836 0 889.6915375 3226.769593 3654.871161 2317.453847 1893.49501 5353.832374 5253.024844 5344.44924 10889.64776 963.0639006 1207.506195 2400.308751 3175.04285 3253.664157 3172.815547 8109.342668 4211.248015 17714.12807 4974.52164 3242.958739 1576.66398 1338.235638 2066.920376 5447.844888 9684.644309 2600.154699 1611.833607 6074.318574 2316.162002 5691.364552 4445.028914 2892.354398 2800.050733 19698.43901 1456.35942 1117.177235 4553.496189 10603.56528 3173.260263 1985.59225 1103.889722 5104.84898 474.7398779 19827.76596 930.5067974 2594.757458 29611.47711 3924.982347 5579.238075 2763.882818 740.357317 3035.847402 5656.793626 4660.309014 2487.37662 1312.874493 3224.384181 21975.47554 13250.81929 4600.366509 4340.651636 0 0 0 0 0 0 4545.539597 4546.547099 4130.332175 6957.384909 6020.705842 5599.596795 6231.827202 6411.001418 27304.74672 31096.03523 31399.99769 38284.22924 30569.05782 13950.12777 5479.458704 8963.384895 7530.746697 2108.112343 5609.75415 5747.68861 3669.905619 4266.401066 2041.804595 3825.268478 1358.045953 3622.60092 6821.096485 6836.554329 1687.994827 4864.281384 6114.333075 3967.281776 4947.826996 1916.698532 5156.144122 4305.365394 4854.16153 1862.225087 12870.57588 1709.481419 6798.457802 5061.626129 4089.514464 3033.88936 7437.584296 1682.405719 5065.603803 27167.57359 2812.781517 6915.185288 4867.211078 2171.549552 5308.707564 5378.249546 11529.59151 2612.565474 3032.110758 1671.183892 1740.524207 3789.402265 1108.37309 11516.79174 4505.448453 9383.848811 5001.289302 11377.76507 4318.754463 9002.995365 9462.285023 10079.40044 4817.92259 2922.723619 6138.077502 8718.410188 5657.743603 5126.714388 6016.001058 2730.539594 1942.257378 1669.213566 1070.312309 5675.504526 3833.760251 0 0 0 0 0 0 3597.817208 3246.557041 3693.073687 4880.889105 4981.163769 4481.868813 4271.166997 5094.006572 1072.802603 1968.578796 4955.88542 2249.83654 4792.264753 2147.882261 861.7033593 3677.47542 11867.10393 2675.611581 4955.632075 1277.217995 1872.712596 3391.414486 11132.88855 3904.558883 2652.312414 4906.780196 1940.641646 13621.74291 6044.729902 5338.917487 5798.689809 4167.668384 5721.349552 3056.10315 1961.964401 3440.590748 7510.416212 2923.457795 8060.197591 3873.809243 1423.421803 4416.967573 3813.884732 2581.992938 3211.546661 4324.750579 7783.684969 14227.05868 4197.962122 1888.194965 1975.006795 11313.05195 4224.708745 4869.170483 9850.477974 11816.81064 2736.453695 3900.030136 5252.852324 2684.000735 906.8683632 3576.551996 3397.844361 2742.580759 4571.754698 4589.02431 3489.220751 1810.1843 732.9597202 1641.135484 1707.430485 5166.844953 3398.821296 2145.666988 1765.552063 3169.585529 4018.602114 528.2717276 1152.787609 3523.788687 1645.226524 5183.184683 4442.285818 0 0 0 0 0 0 3304.210802 3528.719043 3997.817947 4419.904742 5076.179379 3773.147605 4793.172666 5712.356854 8398.603777 2421.441091 51793.79134 650.1616068 6742.354444 2121.373515 22281.77299 5760.982244 2732.472266 13731.7154 6623.45216 3657.546704 6840.774935 10987.27016 8571.704649 10906.53949 1494.129921 3824.613172 3220.532799 2105.887623 5700.123386 4843.831163 5551.6631 3831.080315 0 2067.101263 1428.308897 1204.602772 3602.713981 1510.654939 1491.523105 4457.624259 3090.220771 5471.355796 7615.049409 2184.511578 13632.50604 2487.339916 2405.834581 7662.365177 1175.473924 2991.918659 1865.710103 2074.515495 5022.196214 5100.390168 6117.502586 4529.145117 4284.34967 4003.067984 3233.672652 3893.554421 2379.938055 1662.068179 2502.193908 3450.593673 5246.45792 1798.257056 8166.770915 4041.414171 2772.855051 3263.842629 6091.145965 5967.867095 4887.446182 4434.394383 0 0 0 2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate) 0 0 0 4470.129146 2850.730696 3623.221314 3265.831803 4333.16517 4337.49614 5583.571351 4731.735452 7085.165044 5911.750654 2843.527922 5152.33538 6576.021269 5114.436554 6028.854228 3489.525854 10193.56378 2883.934835 4247.000121 5620.110251 5599.074278 3384.318416 4717.55633 7648.050009 7329.929343 1556.1634 9605.145455 5584.95392 2532.05302 3687.125924 4590.970154 3631.468416 4273.941644 3423.520319 12850.0357 4263.459719 2549.075364 5688.566573 5207.382446 2793.653501 5463.539799 5149.661876 2493.56781 5827.661404 22356.63118 6501.73846 4140.619322 2254.975353 4349.232194 3425.971172 3389.39033 4357.685183 4513.219279 4310.236032 4733.906131 11759.39577 4467.909439 5021.461328 1959.553547 2818.373431 2896.279039 5189.158382 4789.365007 2700.500457 2659.086339 2238.002683 3858.722959 2275.833859 5692.594478 1854.645884 3737.902093 1887.298434 3727.147881 2384.951882 1343.097465 4044.748698 4813.879699 4923.245428 1531.604795 1057.441616 1440.283199 2786.80465 3765.162869 4337.415839 0 0 0 0 0 0 4685.019913 4212.692779 3304.157806 3225.669038 5380.569279 4711.22588 4719.48419 5956.154386 3693.729506 2676.610786 2437.749549 1626.101255 2875.798676 7996.139819 2647.934759 2052.861013 5115.466025 3492.758249 5281.243398 2500.867127 6309.009343 3512.843658 2597.755411 1846.381888 1897.634191 3127.787368 2468.316088 5819.491857 2449.052403 4294.225931 4052.143923 1963.858472 3447.612083 2770.277591 2803.594861 3417.703133 2353.453024 1665.782042 4949.307313 1862.827416 5990.190613 3401.130142 5560.487439 2635.974715 5414.631559 2095.495682 4777.313221 5835.21334 5678.705755 10011.33552 4309.184308 5209.61389 3446.216367 3578.254516 2985.900913 4560.329995 3664.236722 4363.669245 3499.190105 12039.05654 10930.97636 1798.632495 2783.220887 3233.274889 4028.937094 1447.166313 3465.497607 1579.293603 1298.374102 3222.423526 11575.42052 6951.334204 1945.221541 5470.945613 2427.133575 3414.754259 3861.050092 5680.849627 1943.593727 5036.460415 7769.52957 9009.463185 3667.63398 3230.703929 0 0 0 0 0 0 3638.382865 4245.000852 3335.333466 3901.87094 3890.07511 3624.545367 3510.893227 4122.557856 3624.046273 2717.076577 4344.202403 5211.068705 2968.240171 6921.273993 6227.974583 7313.022474 7091.489653 11274.72371 4325.86849 2751.065049 6056.766258 2307.488486 3305.148565 2334.016218 1601.781947 5651.179692 4395.982414 4519.138556 2423.354827 3864.073245 3704.060439 2072.403053 1280.68707 1426.825188 1617.312075 2143.577523 2198.627734 8419.933102 2007.183815 981.5327334 3230.93262 3970.327399 2118.131073 4502.996806 2452.541396 1956.795621 4225.49027 4343.28325 5259.695821 1821.960497 1389.30409 6070.643029 4787.774975 4964.258141 3333.976247 5331.567025 3793.34265 1006.6853 1230.580711 4029.630742 2229.398923 4311.686865 4008.227491 3021.245003 3911.422203 2866.849936 1641.736361 3664.020776 4092.60333 5187.700495 2482.62247 2339.972127 2346.439621 2812.301228 2863.88586 3837.271978 4234.193385 997.5357526 1242.086998 1625.655099 1950.326656 4118.860578 3364.238597 0 0 0 0 0 0 5028.387885 4028.160026 3213.955798 4814.953811 6172.069751 4475.922848 4271.286904 6123.345875 3876.165672 8051.877014 3628.837277 8054.640825 3885.992103 6509.318828 3351.798233 1894.093195 32137.10845 4425.893891 5719.403541 5245.069207 2692.833806 8413.455524 6102.148834 7016.59453 4986.878464 3400.698327 1430.463448 2759.576543 2953.828609 3990.001874 4917.684478 3003.267198 2238.637851 12462.53436 1786.276719 3224.609623 21234.90882 2169.538682 3095.780847 11134.57881 2975.528779 5527.161058 2742.701865 2158.915752 5223.863588 5319.745687 17422.14905 3636.948188 7364.204821 4476.073341 1624.210862 4387.143689 4404.404472 5138.539405 8429.988266 6664.516997 6381.844677 11180.64877 6174.959649 2320.861804 2051.030603 4758.881075 4415.373685 5120.626796 4595.583305 3069.003445 5293.880388 4560.396501 1968.497325 2509.868159 5873.994106 4217.138337 2299.597194 4839.555764 1464.602512 5116.742531 4828.260762 3138.289349 5147.708138 9686.583749 3374.202313 5719.08395 3486.951748 0 0 0 0 0 0 6012.706647 4923.006231 4607.251694 5635.684332 4786.846172 5266.827665 5167.764141 5870.308953 2161.825351 3858.993857 3112.256444 4705.51635 2502.384458 7328.564156 10742.62995 5744.18424 6058.81409 5372.757583 8788.888052 2948.156969 4218.497607 4627.422426 9067.314808 4012.270698 3643.140497 3282.215611 2452.507466 2977.708415 7802.130476 6065.068867 7248.694767 8744.980712 8224.447591 5030.855577 4651.821363 4077.090029 3718.826516 5913.683717 2985.075765 3994.98922 7832.923924 7203.394058 3984.481507 3425.508345 4916.334777 3347.04832 2422.691676 4033.99295 1566.05493 3856.295469 2618.098627 6917.033128 4971.266555 6228.894076 10417.80682 3582.29167 6003.961161 4379.485394 6752.314484 3983.409371 3366.230749 8487.559565 4669.169706 5344.020719 6201.889754 7313.384151 7861.698926 16013.64557 9306.975554 8208.222162 9311.51326 7916.726275 6348.280354 4968.545198 0 0 0 Methyl Paraben 0 0 0 0 0 0 2595.297759 2234.765581 2515.623388 2071.510668 1944.474858 1662.078583 938.9018839 538.6389143 1438.491252 2164.145621 1024.731105 1885.148097 2284.879899 2059.316022 2077.872546 2388.321296 1478.130333 1208.091929 2502.789108 2069.132061 4634.533624 3194.956887 1127.942409 1263.699809 2006.921368 1514.213529 2892.545286 3520.083488 2723.271262 918.0017391 1652.701815 1425.706971 972.2863381 1855.851476 1810.665618 1560.334096 1785.667508 1209.925651 2007.963519 5133.209648 2371.550867 1478.700477 1869.712647 1435.140914 1145.851491 4734.66343 3266.572412 2397.267759 1670.813542 3312.142773 2320.287089 2363.623719 2440.665306 2316.827709 2452.191692 2293.086167 957.2635938 1473.500203 2381.757911 1461.773338 2206.003803 2262.05382 2501.813925 1260.202878 1593.47174 1700.531237 1373.457963 1121.818078 859.646788 1778.74031 2670.447394 1551.356828 1912.655545 2180.522049 2627.817424 2988.578527 1955.374696 1902.34962 2168.254307 1638.542216 3292.192625 0 0 0 0 0 0 0 0 0 2676.822308 4637.87228 2960.092616 1641.459037 1258.945481 1516.574538 1096.688968 1962.754862 809.5959729 795.9416479 1092.807992 1190.24955 3083.633749 1501.852661 2382.802927 2247.842522 2611.952622 2996.162149 1876.550427 1318.444663 2338.438076 1792.405268 1653.14828 1515.156613 1252.674549 3315.390664 2321.720756 1784.839897 3971.516749 1410.38773 1070.602046 907.0644049 621.819016 1300.355241 1937.992248 2461.668373 2618.399213 1868.426442 1785.845549 1196.434057 1522.952486 1153.620127 1589.673775 1432.540678 1566.798381 1148.663365 1196.143776 1556.849925 1645.249289 4184.545983 2016.401659 1373.371615 1870.10375 2659.813733 1201.168744 877.1474828 1936.273872 1419.653417 1186.28048 2683.619023 1585.686276 3823.727537 1855.33509 2169.799833 1971.554983 1471.597464 1103.768624 1086.139587 1818.021692 1785.088461 2219.785927 1971.700215 2218.434537 2787.52344 2600.289586 822.3641043 1780.211009 1511.293338 1340.216886 1150.902179 4089.838265 0 0 0 0 0 0 0 0 0 2550.902776 2151.164663 3046.65573 1939.750558 2439.056955 2430.957318 2003.851755 4972.854821 1568.710827 5088.299136 2418.180584 1563.548981 2039.851973 1855.29726 1209.962412 2311.10356 1756.249681 1488.829377 2030.084296 992.1789203 3683.433949 1696.048784 1671.720557 1222.429272 2160.568748 1437.986429 2267.200891 3103.445652 1686.358644 2435.251923 1905.741056 2391.301224 1599.140232 2709.206706 1980.599884 1432.276574 2656.170499 1510.024747 1487.395065 2614.881465 2495.426524 2534.804588 738.6830049 1220.407146 1721.272477 1833.976577 1566.996794 1056.370461 1757.940022 2532.701898 3448.738748 1197.497946 1568.916444 2159.991555 1555.418421 1691.425211 1283.354914 2017.607571 3272.609148 2030.290685 2278.982829 2052.618375 1207.939258 4121.920857 1270.300959 1821.527611 1570.847572 2393.946854 1111.670948 1583.044607 3277.731827 2271.248365 2883.414067 1972.511259 1344.142696 1782.818954 1370.210632 1312.984586 1722.275108 2583.984661 0 0 0 0 0 0 0 0 0 3696.311645 2849.582639 2294.668426 2730.190001 1761.473421 1643.822692 2008.423066 1432.367665 1376.607178 1381.27636 1888.620198 1454.278628 1849.332793 1982.279566 1469.192799 1232.622617 1615.264736 1515.90124 1312.91378 948.8499429 1299.50268 2183.203375 1234.026538 1666.87875 1851.063211 2973.605481 2601.061097 3264.804533 1611.76702 2150.831541 2404.969408 2289.676024 2166.235852 1073.804308 1711.23017 6227.333935 1771.089654 2199.534626 1213.754541 2036.674776 1830.584863 1513.476857 1415.751403 1427.62621 1426.899057 1318.048947 1262.192714 1284.168536 1412.070285 2958.117262 1258.021969 1954.946059 2005.198742 1280.127408 1075.886518 1111.616832 1632.308002 745.4662708 1863.888478 1151.994122 1358.387759 1830.046008 1056.289082 1375.99669 2338.669363 1485.964218 1576.102105 1690.636756 1618.751744 2059.317765 1948.15982 1440.414423 2584.488149 1949.040108 2108.816648 1982.810965 1490.716118 1448.044366 1792.854186 3081.924975 0 0 0 0 0 0 0 0 0 2313.316115 2254.267237 4219.62369 1939.904879 3020.355924 1387.301346 1432.207535 2903.063415 1862.773318 1935.195425 1872.647506 3591.291642 2145.909708 2224.543751 1146.979757 2459.229424 1516.63083 4160.467705 1456.956098 1485.745836 1406.645078 1118.802964 1979.440895 2653.09983 2334.967289 3014.77102 5025.127747 3112.685781 1253.019491 2876.996757 2083.828669 1457.946925 1666.825784 2285.718223 3219.298329 2225.669333 3232.141532 1337.107203 1273.987517 1668.426435 2405.393246 2174.352738 1149.592696 1872.349932 9437.101039 2041.104789 1073.574049 1377.994132 2215.127969 2291.000314 3197.547984 1813.863885 1313.878044 2224.814493 2136.536536 1689.134813 1775.646806 1961.325248 1102.862013 1181.760307 1066.41208 1890.075956 1763.320501 2137.664912 2154.979317 917.3218587 2260.404865 1935.398965 2511.448277 1818.32723 3356.430942 0 0 0 Bisphenol S 0 382.7807218 412.6865075 0 0 0 0 0 0 958.5961921 503.1058667 323.3706009 640.6902852 0 0 0 0 364.0536924 0 432.7203257 457.0905509 0 0 391.2009342 6512.451266 0 0 143.7483784 569.0549907 886.8303017 741.1473896 0 0 521.6040904 0 605.3050474 0 426.7008822 0 482.5784338 0 0 496.6784081 0 245.8945695 622.275751 684.2815484 0 261.3456783 348.4939471 673.3997584 0 555.7382503 621.7449136 0 0 0 761.7265515 0 1458.296139 0 337.0744446 163.6870811 491.6297604 0 295.7241679 503.2304745 0 702.1610836 0 496.8848588 491.613064 448.3315175 0 0 0 0 606.5474528 0 567.3814759 0 416.7263093 213.3075505 728.5412411 727.9254265 0 0 0 0 0 216.6554981 0 0 0 0 0 0 0 0 707.5093332 0 719.7027899 0 0 353.6453569 0 960.5315104 0 553.8656645 0 253.9930882 617.5457301 833.715952 1250.724661 414.5362536 0 343.0465583 342.4893579 659.1048061 0 301.9022264 211.402838 0 408.2404318 0 0 742.552813 500.7716021 0 0 0 451.1012089 0 558.2799673 665.9271664 0 849.6524951 750.8767668 485.4147104 0 0 633.7956046 322.11831 0 331.8183085 0 0 0 0 304.1854411 0 196.093773 908.1527583 0 0 630.6567626 0 677.55062 60.42168278 0 254.3433194 0 686.9155351 594.8773696 0 566.2657631 0 627.2742183 0 866.3434066 945.8369222 418.933049 938.7966935 855.2626853 0 0 0 742.9344045 0 408.7427529 0 0 0 0 0 0 0 0 0 1132.619715 289.2091067 0 590.516962 526.1309097 0 400.9990472 547.3770307 463.9726765 738.9645565 0 0 0 0 0 73.84408716 451.954803 616.478299 3165.764115 3704.937634 7396.244312 7575.068621 11065.747 0 23254.23636 27055.27743 24708.3091 30945.78045 39327.75409 37109.45598 46756.3756 43992.11155 58794.28293 59197.08848 63920.66283 71621.13044 75315.06254 49395.54591 47949.58047 55402.57022 54118.59049 55249.69328 56930.19447 54828.52141 54074.41414 54539.76926 0 55948.27983 56711.79497 58550.69664 54149.75585 54335.88993 57739.83494 52556.25383 51798.30314 53502.48642 56168.90189 50782.32296 52593.09509 52666.78487 52943.15433 56312.20618 53526.36337 47057.73487 51872.27138 51294.99317 51532.68664 52656.80109 50342.80082 0 53164.41752 58189.52076 55364.53614 55592.08979 52487.22386 51866.97801 0 65777.77085 66922.34978 67893.80404 64356.55773 62410.6932 56863.36309 0 0 0 0 0 0 53937.31457 54971.12416 57508.59332 54307.23946 58021.2803 55344.55259 54819.52856 42759.60621 54022.94526 56327.9995 41236.58157 50079.23187 46390.9834 52033.17994 54113.45979 49910.1026 52447.28427 54072.10343 51240.05454 50699.19739 46738.43397 50711.05343 53109.03927 0 47969.1858 43017.03248 48961.59511 46986.90547 47139.66868 45287.54552 41269.56283 49757.63988 12750.12843 12666.21325 13054.35728 16542.19422 11562.98324 10970.33822 9697.744482 16039.00866 13587.16652 9839.515011 12964.21105 15438.66574 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10422.67114 40679.0163 14157.01636 11177.40269 9664.839799 7738.719892 6116.803079 7553.353629 14096.64708 10032.45081 8055.428494 6361.498572 8543.67264 10581.20879 8629.216977 5577.324434 3542.826752 7566.059636 6270.920963 6974.049875 7520.84212 9015.417688 15300.33165 6629.061408 30688.9199 9379.35066 7019.154907 7917.754996 5123.111982 10310.96458 13402.32213 11076.7807 34840.0275 10436.80939 8404.28002 10486.55208 10384.76799 9256.868145 9510.208697 71653.30052 64292.50998 67741.68455 42211.40147 41806.36918 41556.21934 13358.32869 13996.95664 11197.67291 8792.726214 7992.523331 11770.52197 7131.284195 10548.86198 11786.65398 7935.850358 8218.656052 12017.32667 16048.72631 9924.971164 9921.895386 7010.563858 10024.54355 8806.840445 8729.730478 8382.767782 8844.969021 9682.787674 11418.16313 40766.75153 17578.93603 7278.258273 8782.44055 10856.35421 12835.60051 11100.59753 9909.756329 13938.18987 12846.56503 9174.77423 18168.63909 19478.83823 11597.16173 11420.16676 12337.45514 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10219.27584 16580.20515 19545.67343 13235.61924 8164.335491 7726.52743 11855.01727 6972.316756 14144.78298 7858.091476 9728.015874 12044.94883 7847.251435 37505.70297 9996.351528 11398.31732 6211.658722 7819.979887 7280.696549 8395.571428 8504.95119 6231.994343 6545.880162 6767.812398 7994.120174 11837.78404 7948.004776 10295.95368 16331.37249 17330.41698 16310.29656 11919.06702 7792.000989 12087.36629 40756.40944 7254.872002 44008.47648 14471.68149 9225.709008 12881.23064 8893.580223 7760.593948 13210.95105 39880.18076 13350.08472 11998.57369 11319.97529 9265.920303 7644.790848 11010.4022 64967.6684 56726.51149 57872.33466 42333.59126 39214.36311 43867.20578 11592.44271 13672.61404 9796.57663 6614.365554 9227.472787 6378.310339 7447.11103 10636.38575 6201.312909 12077.49226 14033.51845 9621.793419 17320.71333 8514.7257 9839.620541 10401.83942 11630.45796 10886.23853 11729.29754 11197.64257 11641.30132 29839.87154 14955.35585 41975.96772 15014.23656 10909.64127 11622.63167 7300.435877 18252.01998 11807.19471 11363.51629 12760.37296 5371.252 7947.16682 4249.521146 7973.599441 6333.21798 7209.656047 10607.80852 6323.19039 4151.425824 10700.03948 9994.27887 6914.467397 7494.739196 6259.363468 38099.93001 12668.20393 7897.099062 17829.17596 5275.013801 4423.055996 7458.055581 5428.961017 5254.693161 6050.295188 11693.00884 8170.432953 10216.95222 3781.694744 4677.787244 4853.70266 4137.53807 5706.748669 4707.244699 6827.409671 5493.72827 2903.715366 4486.161223 35102.53122 10014.15375 5512.249439 2782.415933 3987.811244 5801.689803 9364.272944 31264.19327 8226.908808 7310.922006 8923.264379 12007.60724 14455.43848 8560.170243 85284.4406 92534.60595 86822.23346 36680.26816 42136.85747 39609.13718 9148.238789 11067.47582 5676.040739 7229.985059 6101.256564 3191.826629 6718.758572 6257.087233 8355.720783 5011.145636 7278.755723 3434.486186 9131.714478 12418.89023 7128.28378 5040.088903 8999.723494 9552.485481 6563.612243 8122.428399 5640.126858 7973.866672 11140.74903 39244.7698 10439.17865 5786.274614 5337.945476 8196.594915 5118.051507 6404.949851 5556.869133 7360.57726 6147.414551 7526.706752 5103.903105 12894.33656 3829.999765 9454.930071 6431.544198 5495.790587 6629.804119 7428.798912 6510.819576 7577.19876 6416.328829 6525.13174 31430.99126 8214.825942 5479.687388 10978.64174 9187.41778 7645.054092 7261.328015 6996.805492 6599.023556 7285.197446 5551.783944 5528.261465 11073.85209 5404.289229 9532.37896 5898.486495 9086.941664 6113.168352 6792.720094 5089.542901 12700.03674 35234.84518 12719.95387 12534.11561 14063.00701 MEP (Mono-ethyl phthalate) 24355.31575 23266.4169 23359.9593 26025.22598 27712.66965 22623.69369 35668.57816 34715.24172 30688.24563 65813.32232 65779.99933 1580.264313 4116.459996 8604.715106 4682.352834 4410.846485 6108.095781 28975.51405 9099.806334 10480.05744 5029.457332 14685.46725 3183.319726 11483.65005 5370.401665 15041.94452 5203.893707 3563.354583 5237.936827 6873.53913 32832.97436 5076.378331 30701.68284 35983.46828 23997.27181 6192.293043 5146.310053 21986.85167 6406.239043 2963.653044 4517.370813 3508.34718 10001.30102 4688.273322 33315.4596 3609.630651 10754.25035 6266.814533 2861.428205 9046.267068 5937.066634 13132.30564 2464.590175 13707.11134 3418.128371 26187.64915 18307.39489 5019.990387 4933.604399 6960.227017 15571.26276 4935.001281 6937.130682 2173.634797 29082.86789 4445.930391 3082.178652 31760.78941 7182.383479 3454.930674 3347.866718 3891.840375 3029.136995 14967.1028 2074.186393 10940.01329 3583.855109 3903.952181 28556.3964 28797.30274 5660.379948 16474.44979 7261.361781 17262.93699 10139.83432 31423.35924 27885.34013 17505.82539 17167.22766 21056.36642 1285.633794 1312.28619 1639.301189 4731.826763 8534.236569 6724.025824 8044.642864 11112.00907 11226.87857 12190.77122 7912.459743 5169.19077 5794.488287 12248.33143 4453.392778 4028.16938 4566.4525 33946.09648 5825.004698 5996.618067 5788.176962 12952.34819 4364.735667 5978.824839 5247.576911 4756.497253 2872.614365 18318.72761 6214.095225 5834.960644 3001.931574 9292.897228 9515.916537 9733.62127 4047.419035 4326.634926 3952.686093 3795.498507 5565.938384 6809.602169 2298.372353 2494.516353 4199.553888 6524.570891 8921.354986 6520.264336 4399.048295 3996.868948 2729.01663 5579.105273 3304.0496 5128.107867 7924.683834 1935.762855 3635.196382 7844.354336 8972.580706 68687.46764 2814.11234 3920.935944 10948.34059 3177.458778 28397.62283 3676.555946 3522.484436 4013.344086 3990.431143 8456.494182 2473.979023 4917.29353 6844.069423 11400.90326 6618.510624 23943.01993 10856.65541 5658.86473 2950.555605 3622.846233 6301.464594 6643.433329 3894.308168 9837.605597 17343.12895 5720.583755 12905.04664 7606.285145 6532.268612 1231.403428 1782.131001 1314.85314 1862.47122 1485.787125 1936.043114 7746.278018 9292.055697 11291.30088 8630.708705 9026.761626 9048.352333 14066.27952 8766.178491 4959.057328 4886.832238 23531.15146 25975.13205 23953.37185 4853.825661 4950.47254 4031.722921 9854.52371 6618.926687 13727.17422 5985.058299 12575.29386 5556.451067 6330.896027 2115.096878 3491.133235 7034.27139 3396.260279 5095.158343 3860.223775 7787.119778 9183.761357 2987.655455 11792.94549 5683.575673 13076.06753 5317.588472 6017.739846 5569.735925 10986.98024 4387.781046 7863.105607 8520.773999 3176.213109 6046.117938 5184.569908 17109.21486 2271.76468 4847.839369 4126.572948 6852.947896 13834.85232 15765.18024 5610.893461 9759.519267 5072.471221 5481.866761 94238.77394 4312.67067 4571.073109 5351.551471 3192.947525 1278.813781 4966.104356 2973.293502 9324.835751 8596.603147 7505.356262 4879.738231 6577.994338 7040.727614 6211.860626 2298.897305 3865.877648 13105.23009 4778.853297 6828.351116 11015.83745 5089.136169 5534.150788 7785.072552 11915.71839 9818.348087 9886.777737 1336.349976 2090.110298 1354.650762 1507.632417 2230.60283 1089.826604 5187.274693 5275.044448 6460.323414 7968.485593 7038.115906 9254.669208 11092.77454 9000.447111 1734.682704 4977.605397 2919.12585 96992.82115 3380.814528 48028.89216 1824.171662 6684.29546 16467.28965 4637.671306 9274.738056 4868.107121 8006.407038 7675.522334 4747.847867 6451.879081 4055.16281 3234.040722 4099.322093 4106.996672 1989.09585 6104.130557 6050.552527 6380.727707 6300.569478 24981.25911 2960.9108 5058.242746 6152.070893 4190.256825 7026.817751 3277.281036 3472.327646 8685.533389 5743.677549 30831.48733 3456.135208 20014.09615 2636.59615 3250.268765 6846.003044 9342.299945 3712.305356 3813.149543 5421.541064 7920.312816 13328.35869 12869.15779 4572.188976 2634.455289 3939.834369 5314.827617 4469.551992 17294.48064 2964.983826 3656.020926 7081.450013 2060.711958 9310.003085 8192.0225 2819.666291 3552.068011 3089.53375 3213.833184 2191.283847 3158.035315 4303.972522 6312.555088 5736.727579 2694.537188 5470.319913 2760.276918 37204.80972 8296.087119 7662.883503 1804.070853 1140.55427 1182.760098 11729.44635 12729.65379 10028.35702 31252.36562 31625.83464 31509.47962 9658.786229 9047.103631 11628.47303 41951.47934 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254631.8115 235743.0358 124924.1205 346732.9094 194656.5981 159979.5995 177053.3218 258513.4567 273888.1374 401344.9967 302023.7205 128849.6683 86932.04639 225748.1255 494348.9568 149962.9831 263981.6985 294095.1145 305467.0727 225305.9037 328772.2683 176860.3344 278731.1474 355043.9458 193759.0505 402721.8582 328840.7668 254601.0396 379114.4593 260541.2088 0 0 0 Cortisone 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11692.26821 0 0 0 0 13063.0493 0 0 4232.694751 13005.95274 0 0 0 0 0 18609.70081 0 0 0 0 0 0 0 0 0 3697.523359 5658.20569 0 13239.30096 0 0 0 4775.901038 0 1206.357354 0 4704.417768 0 0 0 0 0 0 0 0 0 5849.829709 0 0 0 0 0 7290.879633 0 0 0 3760.473256 0 0 3932.819082 0 0 4924.498149 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8384.987224 0 0 0 8231.055404 10680.01277 0 0 0 0 0 0 10078.46903 0 0 9821.890823 6060.100399 0 0 9522.181701 0 0 0 0 0 6999.929006 9915.285413 0 0 0 7691.609406 0 0 0 8069.317718 7228.592787 9084.522853 0 6273.556858 0 0 0 7471.132243 0 5751.311134 0 0 0 0 0 0 5620.300411 0 0 6628.297814 6032.238395 0 0 0 0 5628.649296 5722.455471 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15674.07995 0 0 0 10779.79524 11479.53733 0 0 0 8338.176761 9906.477559 0 6693.260274 5491.61627 0 11198.90027 5929.26785 6808.539144 0 0 0 5723.1711 9062.303392 8865.92028 5931.279056 7862.921791 6032.665077 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5440.549358 0 6040.238192 5721.739288 0 7101.18198 0 4445.032607 0 0 12585.86147 0 0 7536.950098 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4825.887477 0 0 0 0 0 0 0 0 0 0 0 0 10799.69781 0 0 12667.56382 0 0 0 5724.221329 0 0 0 0 8749.604485 0 0 0 7960.136064 0 0 5199.643227 0 0 0 8040.382859 0 0 0 11183.42057 0 0 0 0 0 0 0 4928.058222 0 4100.910541 0 0 7365.782391 0 0 0 3665.263145 0 0 7024.948723 7402.232979 4388.983741 4365.117139 0 4502.344213 0 0 0 9506.008316 0 5538.317847 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10631.88189 0 0 5473.486347 0 0 0 0 0 0 0 4879.757291 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6355.683934 0 0 0 0 0 4114.910775 0 0 0 0 7365.167343 6401.405715 0 0 0 8922.649013 0 11458.82335 0 0 8184.039446 9688.36539 0 4884.2061 12260.07825 0 0 4646.854543 0 6691.602592 12743.19794 0 7352.105221 0 0 0 0 0 Cortisol 0 0 0 0 0 0 0 0 0 0 0 22531.42318 0 0 0 0 0 0 0 10396.35256 5844.142822 0 1522.481498 9919.050681 0 0 0 0 0 0 0 0 0 0 4415.179492 0 0 0 0 0 10991.80684 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4460.494576 0 0 0 0 0 0 0 0 0 0 0 4523.298066 9915.973087 0 0 10016.27512 4029.396283 0 0 0 0 0 0 2619.423121 0 0 0 0 0 0 0 0 0 0 0 0 0 3118.100497 0 0 0 0 7593.843275 0 2311.151276 13930.79629 0 5582.033897 5451.661222 5245.426998 0 0 11359.16534 0 5292.540931 0 8434.232499 0 0 6315.652078 0 1767.413738 0 4932.142324 8348.589532 0 0 0 0 5690.371547 7885.295916 0 0 3903.132338 2397.490148 0 0 0 0 3000.332316 0 0 6661.028458 1464.413474 0 0 5373.430984 0 0 0 0 9685.489149 0 0 0 0 0 3704.224539 6768.207921 4514.501434 0 0 6975.056464 0 0 0 0 0 0 0 0 10428.90974 0 0 3206.918692 0 0 0 0 0 0 0 0 0 0 0 0 0 899.7632693 0 0 0 0 0 0 0 0 8064.960107 0 0 0 0 0 4292.805187 0 0 4518.452657 0 5185.756729 6125.871417 4173.810152 0 0 2852.464645 0 0 0 3154.486555 0 0 4056.027543 8817.914822 0 3386.799384 1538.512714 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2679.177906 4310.233678 0 3535.606194 0 0 0 0 10620.21729 0 7025.603048 5743.531569 0 0 0 0 0 2072.356726 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4710.301867 0 0 0 2862.717341 0 0 0 5500.738011 0 0 0 4392.426502 4263.546365 2304.100911 0 4884.145512 0 8719.301484 0 0 0 0 0 0 11264.24914 0 0 0 9865.656695 0 0 0 0 0 3338.38774 5556.304322 0 8689.661994 0 0 0 16685.8016 3367.939461 8615.93917 1631.455411 0 4094.231381 0 0 0 0 0 0 0 6675.713914 0 0 0 0 0 0 7655.793192 5903.661099 0 0 0 1823.014716 0 0 0 5834.369514 1425.837922 4133.455078 0 0 0 0 0 0 0 0 0 1671.443896 0 0 0 0 0 0 0 1257.57637 6844.186327 0 7088.874787 0 4621.144011 0 4765.692235 0 0 0 0 3680.592856 0 0 0 0 2940.818617 0 0 0 0 0 2322.025601 2458.927445 5090.326571 8204.368533 0 0 5256.84846 0 0 0 4001.308651 3756.962421 0 0 0 0 0 12765.2334 3688.659773 2617.381543 0 0 0 0 0 0 0 0 5147.833423 4749.194157 4647.20906 3890.713653 5738.391564 0 1904.481237 4977.714909 0 0 5132.381027 0 0 0 0 0 0 0 Sebacic acid 36264.58377 28152.11676 34245.17595 88022.35731 78008.53883 78586.9258 47462.25654 51001.59416 44705.64436 48063.00631 41799.11448 30751.11035 90223.27369 56811.90967 61248.26947 75776.3088 31706.88942 125931.136 34408.85739 54943.49823 33544.1954 45004.92792 48986.76137 58415.75167 44554.25929 57532.58906 47463.18315 58925.00969 29552.3119 74081.82255 30171.4979 30164.72665 47972.14819 43022.10398 61849.01767 55608.56751 46417.97975 196112.2587 88910.8233 29566.03313 24256.19696 27571.0452 36338.13933 34592.65592 52487.5749 40724.34564 59146.39766 78331.22358 34590.98225 63806.36693 31476.91507 59026.10585 30704.32395 47880.73716 35161.33149 52120.27088 48429.45209 81321.10167 47829.50072 54306.67663 45641.40384 28413.38705 42595.91404 24515.73179 47975.27738 28187.53907 45977.26028 42311.54797 30133.85311 23804.03053 23426.55607 26547.70844 22503.80259 41276.81657 26738.66453 37148.78411 23538.73475 27492.36471 39284.02057 35327.23286 31212.09685 53354.52146 27993.17199 50841.29703 33285.7492 37343.64242 40014.50978 31459.05475 27172.87072 31796.77392 41328.11237 36716.56514 34785.58736 86143.46123 82779.92649 79996.91208 55699.4065 53883.91941 49418.48889 48831.51126 53571.3712 59536.56916 56375.99664 38219.63975 41179.25077 57607.24697 37265.49425 101057.5962 56704.16485 53052.42128 59055.03121 50499.30813 49202.20607 35841.90546 72830.06861 40339.17659 34642.04023 44197.41551 55696.69313 47560.18939 39547.31838 36308.46703 56299.81716 45662.83787 45729.84564 43368.31617 41629.85172 63865.80593 48822.30953 39849.69571 52930.15211 39715.85058 52085.09945 68531.10092 50593.5083 55806.93702 44926.95099 49970.8774 38630.49109 70955.75262 73718.50941 40732.67583 47483.0352 31485.58171 54934.21878 53030.33362 49386.03411 61075.95338 46492.60819 76932.44565 43114.71368 31371.67209 42034.55772 112250.2119 46930.54474 46870.42706 46071.60008 38784.61298 35847.15673 50019.15266 29706.08328 31288.74799 49335.24579 33069.82029 47837.82521 26569.90435 23894.99225 56582.60798 42313.3951 42509.87349 23058.51635 28675.85333 42547.97621 91130.93699 122907.7656 41230.15694 44612.52053 30852.95648 27792.56479 31548.30371 41868.2468 39599.95529 35791.10535 84458.9445 84143.23328 83835.92375 56411.03311 60745.7687 54872.06714 47243.42363 51146.38745 51125.00816 59846.89837 61265.02668 60392.65472 56005.34968 68071.38127 81260.6454 80174.16858 46562.51705 41048.51058 41647.8558 41590.22904 82409.9021 67606.49073 37919.15765 33673.32435 45436.67389 40992.43448 42554.65031 43816.75233 31211.66982 54672.56315 49127.55987 45992.92736 34467.08758 28858.61409 36984.78559 44491.59578 41151.15658 60585.27622 88122.49448 46470.25865 104690.1819 51829.11972 57447.20725 35921.08387 50142.38431 39190.82867 52845.75289 62755.877 58211.58465 43927.44543 100279.6478 34926.03243 46503.19021 46535.92996 42141.2178 27292.11033 50738.82011 23877.38464 26801.93757 35685.17293 32622.37573 26885.04011 49139.56309 23409.69076 41600.77672 45660.13811 31022.47419 36363.84089 32338.77297 158493.4393 116419.7501 41952.87933 81457.55922 126315.4692 41446.95243 44037.19435 42021.45953 35990.17357 37397.79291 34051.65148 49049.51281 39512.31427 41937.39542 29523.48509 33528.88714 35130.70145 23703.77069 25043.11343 24687.73414 65739.32858 58749.35316 57517.72737 45633.10279 39333.21772 38488.19378 37035.06848 40392.95913 24622.0999 36945.83913 21895.02981 30360.1956 31864.1345 108833.0994 25000.29136 36752.10729 104205.3282 35779.93284 42019.51768 28726.73326 27610.54767 35720.05477 95642.70817 69601.72288 49748.21909 46943.04156 32627.97408 59662.71413 55793.9545 45726.32224 40860.59708 33933.54972 37720.44609 38168.39935 40945.3904 31986.38103 55313.63602 39790.17802 44491.79802 26056.08382 21291.23413 32417.62631 27489.26901 25581.54495 21723.43785 37763.31528 37488.29387 44406.21178 30639.2248 28957.26621 18704.53416 33592.45121 31116.24742 32869.32539 55035.02753 30649.89282 42584.2428 32055.81298 49452.57046 19919.31867 20001.60407 22368.87968 36060.64915 26670.15119 33255.78993 16712.21584 36395.07891 20765.98282 19382.82503 22985.12672 29044.14147 33558.80057 41385.93248 25960.13176 17122.16239 29049.34854 33067.95175 25026.85339 27203.57431 25514.08393 23740.15969 34731.25588 33300.16601 22621.10412 25266.5889 23724.5512 34902.63715 39191.56916 34105.70058 66603.74912 69060.4193 66595.39934 45961.03966 41892.04296 41749.24994 34348.13817 45250.42696 31300.27767 29131.47384 32810.2639 45169.06879 34282.28121 45938.47935 65607.22266 22489.19879 34331.28842 45466.08446 49626.75273 41299.22672 30180.22351 55102.92173 32695.2112 42401.28163 27879.7271 38852.32053 49423.75737 19748.36455 49046.77106 45104.30685 36314.45894 33334.17336 28324.3836 49778.46722 24148.24718 21397.85954 24477.30578 24381.38269 20992.37241 41888.47603 60488.97348 34438.45686 42718.33337 40415.55531 34644.76197 48495.0568 34539.78635 45816.0226 24816.11765 32498.87905 23129.51525 31644.53974 39195.81058 43906.0378 53041.40243 77447.45345 30653.84516 48478.26376 42467.28406 39935.47863 25498.94346 23433.32494 42485.17946 26210.5065 35548.22621 29161.73266 43433.51955 28760.25325 29275.97487 32584.26353 35001.90147 45136.38061 36617.25724 36886.03362 35204.89303 40594.71704 38058.58942 10-Hydroxydecanoate 0 0 3574.589851 6750.788622 7385.46628 5681.512852 4889.582677 9017.408747 7084.892637 7203.910182 8060.999966 6410.826529 7978.011536 7398.627976 10169.00936 6398.635489 4985.23323 8430.33697 5592.876403 5540.592134 4575.00085 8014.743604 4729.009565 4395.83879 8723.036256 4491.781325 10074.71618 7783.20674 3388.237553 7851.544818 5637.403384 6014.531884 7385.55404 7132.391054 5122.08388 6324.955079 5322.74953 6996.410192 4666.47127 5906.731077 5229.957579 5096.291495 7437.159899 4709.899742 7713.79393 4298.674166 8554.043615 11860.4141 7986.289328 5451.129529 6876.801654 10553.48158 3907.185924 9362.735757 5159.385433 9099.670708 7141.933981 4387.421148 6379.819125 6114.131485 8148.585877 5359.109711 6343.251767 6295.003869 7598.776753 5872.528299 3732.871876 6973.921977 5719.9818 7076.898726 4159.900626 4781.649749 3615.161753 5398.275808 3054.126034 5211.983807 4782.842985 3866.326329 5516.743779 6967.562748 5057.398041 6325.785314 5107.404786 6014.393492 5405.742542 7755.404148 7791.473487 0 0 0 0 0 0 8648.13731 9727.014846 10106.53255 7696.448774 7600.328456 7100.337151 6721.351272 7039.945057 5398.702332 9377.071745 10650.31896 5857.194 7143.423232 9676.576438 14023.83969 3364.632408 6512.087554 12101.88458 8269.388197 8618.266777 10871.66464 5263.161968 5270.597447 4632.167271 5298.954329 8697.70286 7084.088378 7893.895578 10420.22168 6309.773107 8308.320314 5347.873118 6190.239773 8051.343814 6375.490171 8946.300527 9547.185661 5411.64482 6545.234654 7120.837208 8751.414093 7439.910554 8591.442527 6916.552863 8075.988711 4623.065476 11047.50363 8120.710954 7675.293809 5460.544636 6104.089634 11335.20757 7318.213925 7873.743974 6977.731117 5204.299795 6888.955857 5492.693343 9680.316943 8066.302856 8392.491608 4392.111557 6878.354676 4754.762046 6065.505351 4371.694172 5733.56641 3625.094477 5678.68877 5489.384572 7981.102459 4936.92118 2897.931284 5312.944126 6662.843683 6452.240223 5416.7995 5047.56651 5374.963362 9249.380113 8018.674773 9370.816531 7532.484018 5509.022999 0 0 0 0 0 0 9915.721385 10699.49583 7414.372913 7918.49381 6993.571052 9587.841886 7010.116474 8713.572831 7457.741007 6158.203274 8156.367743 6232.552737 7713.576637 7664.38309 5227.605061 6844.227366 7701.322486 9739.039239 9951.321723 6477.100791 7305.878628 6157.863282 5457.159094 6522.161296 6768.88906 9062.493052 5236.145584 4364.876678 6572.068806 5767.621408 8722.662215 6808.572836 4599.994142 3840.663581 7005.021906 6216.442443 7483.801159 8204.825375 3545.597416 5927.803478 9374.060087 7638.057034 6226.896275 5480.382079 10323.76891 3011.522549 5162.278032 6877.840772 4976.413114 5347.35988 2896.205796 7018.879994 5246.180244 7906.811528 6895.707355 7047.964792 7933.993315 4817.800178 6900.422956 3756.529886 3969.833832 6547.924847 4386.917081 6193.813057 7944.011748 7100.059051 5331.006731 4469.64778 4434.964553 11649.33865 6912.937807 6402.437835 7960.918483 6914.63149 5368.583969 7986.51655 6715.786209 6578.966149 5085.68646 6059.059914 5189.088511 8488.521051 4072.948241 0 0 0 0 0 0 6729.748302 6418.920736 5940.198274 5191.189414 5276.776411 6916.885179 6910.207536 8655.512166 5616.560462 6227.554085 4443.603518 8034.229986 5794.297116 8851.960997 4024.523478 4952.226598 19645.25747 5384.452664 6317.183633 7917.202148 4058.525123 6352.582872 12152.10888 8151.203955 3765.850376 4218.425886 4184.548258 8268.724006 6700.774073 6690.806345 6353.227263 8586.972682 4484.530273 9476.527825 5325.283236 5040.037808 12989.02974 5934.526878 6316.55923 3538.131335 3849.283965 6273.131519 3406.306809 4676.60821 3665.69647 6234.280113 5211.937941 6609.234402 5012.041078 4848.081099 3821.509085 4159.153619 6190.403112 5416.743991 4381.280163 7702.393965 7676.775966 3589.809512 5655.176663 3740.483952 3622.921639 4631.898303 5503.200193 2577.723044 6573.484406 2719.650589 5601.494142 3779.84765 4191.647882 2709.970882 6590.676233 4354.051027 6904.046802 4487.163063 2288.5205 5759.580178 6077.722844 5491.126931 3478.761422 5472.742002 4938.227707 5979.964255 3860.780622 0 0 0 0 0 0 8042.18838 7326.671161 9221.906513 8396.616697 6981.026997 8834.454094 7024.182041 8451.503219 3959.407592 3075.323674 4546.451951 6698.584732 7340.036331 10493.52018 7603.170612 6779.989485 5768.689111 5688.787624 7089.292685 4774.249839 7221.151877 6332.141842 4987.388221 7393.318449 4298.417893 8164.595458 4316.505641 7952.923044 7251.150414 7944.64422 8599.967369 5683.970004 4778.014365 5720.013594 5344.810482 4023.454684 5659.464575 5186.654996 4517.950579 10398.69684 8992.98455 7484.903361 7090.3782 6438.680505 6212.662944 3943.308025 7588.599301 6147.588741 3427.225624 6494.558381 6504.16163 4237.082322 6747.048392 7606.329822 6067.217926 7966.421057 3380.617389 5205.975674 10831.81478 5977.23796 5206.207277 7794.804554 4194.789025 4453.312808 8078.687821 3356.593103 4935.152819 7777.920437 8884.041719 6105.911238 6521.912847 4996.214843 7521.975787 7175.406976 0 0 0 Dehydroepiandrosterone Sulfate 0 0 0 172923.9486 177035.8817 173701.9356 290691.0678 284517.8764 278416.4235 30906.00666 30086.89173 43196.3733 6615.207016 7580.704866 171007.364 40851.36356 3055.063959 17900.96305 2719.536201 11425.46517 10147.00257 28287.29797 6703.137007 55715.70238 0 21298.10115 15699.98789 20213.906 8060.158767 82240.24869 24981.97378 7524.43369 252284.9747 29505.60071 6702.398193 183377.9428 12452.11043 6719.261714 7629.117605 197387.7208 6935.396817 6754.382867 21039.27504 0 25987.3264 5506.989903 21121.5475 5471.307997 2833.326071 28732.21455 8602.338741 9809.600102 10882.8415 7389.069215 0 238877.4952 27638.46618 37468.56735 16828.91945 19633.88947 20928.1204 157688.7506 10173.31744 5421.270168 89124.25562 38474.44651 59687.26029 21574.39539 2328.785652 3631.735664 33742.29959 2552.024983 2403.29752 2364.788806 6680.700696 711434.1186 10653.63395 135360.1144 243605.304 26389.84827 9037.755698 7297.394299 12657.00951 7190.391702 22638.46288 27158.38402 242355.5137 0 0 0 0 0 0 183677.6902 179869.9073 178801.2906 292581.3825 294283.2843 291799.2346 34603.82156 34089.36444 195437.6062 7696.258806 23110.22315 19893.20983 2902.323678 6759.481894 0 30691.38312 0 0 34426.49574 9601.693495 10631.81177 55423.95998 9313.162676 5442.529837 25656.75489 0 5592.304696 0 0 268033.2321 31106.16787 13068.01635 11368.72062 3591.365428 0 6456.195933 7090.743273 8259.998909 5254.432928 10691.06609 6777.294985 28328.85751 3742.666948 24229.00072 57929.65735 18492.62455 6713.692438 11538.97257 3646.678195 5528.128808 4812.197361 10337.16699 254041.6061 26198.59833 34251.43864 0 41458.81535 40673.46126 17718.01408 14515.29499 19467.47461 2950.540761 0 10321.25506 28743.65179 4095.074371 3017.459016 92409.43646 10255.99558 7987.120886 12974.90617 84983.55892 5196.275217 5590.833141 0 242605.0416 28181.47551 15423.87339 26513.38889 185486.2974 65194.57783 8579.971521 25648.87099 242910.9382 0 0 0 0 0 0 192111.0562 202547.0249 189576.4901 321491.5196 314900.3423 313669.3963 30476.73089 30506.13394 6536.169635 8669.013181 16693.69213 196411.2877 14982.92414 17904.84694 41511.36762 50327.27768 15712.85198 277974.8089 32442.81184 27691.85953 10250.42699 28222.92753 7481.039003 3136.58738 10473.44084 7648.102562 16677.00316 19045.90659 4574.097281 276096.3001 32066.05782 4673.822328 9200.975122 54525.72925 12606.25674 18009.3852 20646.39092 6325.613318 8593.570561 14533.36934 8431.047315 30674.35631 8931.582141 37631.96094 51377.36932 3257.813973 130183.7485 92729.33829 3833.275938 0 94998.33185 11264.73803 277861.7333 27666.46759 1642.039235 4885.720229 397182.0526 2029.56534 81354.02226 8232.649007 72892.93938 9183.254684 8854.586897 4356.746908 27849.56107 11258.40358 0 14259.09538 14979.37927 0 5402.157113 5450.894659 0 12593.13758 6890.73407 263705.0651 30772.34437 0 5075.913432 4172.711414 4299.09219 26968.80407 246427.5938 0 0 0 0 0 0 118395.6775 114463.1 117198.4166 213346.0339 203521.3856 199302.8694 20623.31362 20678.98436 15385.7955 64433.90947 3054.573086 0 3633.523281 32914.91942 30454.24486 0 141350.7315 3286.923769 22953.09338 34251.63412 13108.85797 7631.056077 12420.66768 32835.21466 51676.98273 10845.78932 3612.218732 18446.11208 4469.536444 196418.1551 20938.73895 364557.5675 14239.54395 11851.21265 218639.0318 343977.1406 40142.89204 4067.823646 1539.522638 4587.988151 0 20422.34411 4280.172681 0 4070.979312 4030.682347 2546.848905 1111.606992 3481.803999 116768.3668 3987.58819 2201.316017 181390.8349 21056.04467 0 2081.555072 10499.98654 6210.165453 0 12316.87654 2401.529435 0 0 5786.775781 18121.90462 1741.191479 0 644.1244254 1636.100333 5096.969859 2575.553022 5487.901439 0 1899.223206 0 183120.4079 20000.45808 8917.693107 0 9597.512738 3597.075604 21287.57893 176395.9466 0 0 0 0 0 0 151257.5023 154817.9644 141907.1575 230659.1188 228645.8093 229798.3111 24762.42895 23955.63995 6760.547384 93395.58657 5163.05767 16505.69548 0 56621.98925 14755.97812 2886.515046 5078.110911 3031.510375 26716.48344 5413.279571 7660.259894 7553.382047 0 12576.70576 2282.008657 18155.80678 3076.253262 7670.899067 4269.817746 227943.0272 28864.59033 3827.768099 0 4390.185843 139105.1822 2127.242202 7794.681683 4728.000199 2333.798351 4369.131009 13228.5551 25516.20437 8737.406713 10750.62284 2797.139834 5550.590789 1940.400638 0 8969.919945 3472.847479 3762.965974 4835.237008 223232.4229 24394.99069 43825.69245 0 52363.13828 13899.38954 4339.934976 3385.117803 5860.040794 18941.765 3493.314433 13651.67765 22271.34695 17725.57165 9609.224635 3798.008609 4458.70134 7116.198823 6546.762805 3791.79248 25164.94881 222842.4756 0 0 0 MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) 0 0 0 6019.451016 6113.955733 6534.290724 3319.881136 2555.775644 3194.183078 4384.634706 3214.803129 6300.326049 6070.121063 5126.41722 4181.558511 2805.327226 3489.279702 2890.408703 4097.876897 5615.873172 3630.519043 2454.935014 4019.647313 6338.489538 8282.982187 2886.911888 2581.801182 3231.413917 1134.376762 4226.62561 5824.716771 2200.831768 2819.838111 3071.387905 6495.052668 4604.065764 3573.19368 6170.502138 4548.392156 1594.834014 2183.292024 2448.213792 3584.513658 3019.949828 3199.814939 3041.190924 3327.396684 6898.400433 1485.24345 1897.486001 2200.495286 6370.590825 1652.903171 10341.52983 3597.179219 3088.539901 2761.911097 3435.673016 5074.157887 5822.520604 2472.627454 3492.851289 4586.426915 2918.704649 11147.48554 3253.282489 1983.712557 2582.14934 2175.869651 2346.194251 1467.572905 1655.276079 2304.016738 2374.848703 4049.53356 2962.092926 2614.399377 2350.406662 2725.260361 1915.868363 1917.11251 4649.057997 3234.414477 5195.844459 7974.622418 3152.816788 2467.331146 0 0 0 0 0 0 5559.487654 6319.752508 5117.410786 2188.742863 3041.016272 2266.269401 3266.575725 3485.32563 3150.162845 8722.073706 1798.656829 3119.827484 2971.052815 4806.433365 5309.8999 3721.953886 4882.585545 3349.921082 2507.818309 3378.677108 3469.599561 2770.144352 3121.109708 3869.666397 2252.674559 3678.847403 3117.251821 2858.929346 3382.972597 2631.588391 3308.497301 3152.743203 3489.477625 2511.493826 3559.462189 1913.152639 2728.366 2655.192831 2738.129594 2247.75774 5460.685033 2614.602239 3721.166123 2888.745695 3334.057416 2571.278594 4781.96122 3240.693687 5358.134764 3087.952555 1957.052299 4276.230926 1430.638939 2134.83288 5020.353341 6620.871746 2526.21583 5439.629124 2612.796555 7601.246935 3164.126266 2423.741036 3799.762097 2426.66504 3200.757208 2366.055047 3607.059542 1920.568996 3322.362125 3423.989145 6665.245824 3223.273151 1590.779334 3437.333553 2706.097638 1990.90646 2297.512028 5135.176815 943.9410405 5131.273035 4951.385202 2372.768504 2871.360968 2440.588312 0 0 0 0 0 0 6525.735294 5496.511353 6147.35023 2680.093413 2767.153984 2557.811679 2929.486285 3444.353127 4857.408861 5495.610463 8809.658033 3660.242558 4022.858899 3663.921895 3472.366388 4245.16649 7321.004276 3870.8739 3706.686304 1546.476331 3823.925119 2170.660518 2870.969105 2595.716254 911.868548 2358.453637 2208.405591 1886.032302 1693.037027 2328.631189 3823.1956 1820.723922 1534.841725 2209.293519 1756.542692 2476.516365 2497.964785 1604.955214 3295.152707 4643.03157 9399.923646 3018.233549 1468.539979 7153.861331 4504.114302 2892.063755 3439.584486 4924.053886 2059.132714 3781.35884 3796.596276 6755.594531 2131.696222 3390.62702 3446.244652 2132.939478 12700.27213 1077.569867 2169.688555 5225.390815 5493.733595 2371.481989 1800.655528 2784.683858 3086.4619 2503.30151 4258.521273 4902.734581 3875.004921 13531.54907 4300.591245 1841.229097 8042.546588 6529.929799 2384.246928 2101.099709 2515.452682 5487.951062 3141.530366 3059.744065 3526.147523 3238.129239 2117.945307 0 0 0 0 0 0 4111.834965 4536.262255 5122.777969 2188.452651 2147.646507 2068.957471 2496.110478 3197.76781 1946.766527 5652.203359 2671.709219 1779.110612 2123.993869 6027.793422 1563.472111 2410.34069 5261.269001 2150.369659 3194.691565 3718.542781 2611.266948 3990.667787 2850.186437 4638.315297 3612.075825 6491.042949 1266.088365 2002.310705 2704.849162 2391.688117 2606.483061 4104.512569 2706.681327 9825.783743 2706.005682 3691.644813 6684.834375 2387.983199 3551.366447 1795.026588 1991.391995 2103.12434 3788.942231 2612.763714 3244.31144 2494.799496 2760.034134 2684.949185 4455.916457 2345.471138 2725.116603 2308.732938 1771.190567 3048.17658 7508.146938 1870.483437 3649.302348 2598.084067 2856.856324 3624.228363 1165.102532 3740.396633 1694.899771 2544.549077 2435.927075 761.7806563 4334.027656 0 2058.323416 1763.926344 1899.579677 2653.374894 2263.83863 1612.797144 1433.34967 1370.653557 2323.791393 1631.49614 3710.838391 3395.631333 3653.239872 2808.14261 2162.060842 0 0 0 0 0 0 6436.898151 5111.680373 5815.409187 2714.716489 2435.00119 2456.115315 2366.672833 2748.629959 3969.710064 3992.99204 4690.389981 3697.569631 2779.094165 6007.229819 2876.119352 2356.581136 4412.725744 6773.274406 3199.212615 4918.94876 1355.626159 6005.747544 4301.781937 2360.22013 2381.430216 2433.068849 5655.793792 3922.127095 3655.821013 2422.229794 3338.012679 2906.580299 2990.867473 2560.086076 2101.63317 1443.738959 2151.908275 3278.589771 1686.439627 2776.82173 2847.429916 2525.736356 4275.803659 7165.231582 2383.810959 2396.452658 2190.472799 7208.598057 3343.830213 1686.567192 1848.625154 4781.846006 1938.733995 3071.891606 2488.928208 4524.591364 3883.536758 2231.177783 2900.054935 2932.054398 3042.372312 2382.825316 1776.054295 2925.120723 2731.552604 2850.852521 4424.219456 3518.28354 2537.801161 2181.699378 3614.283944 2701.281067 3168.234307 2172.352507 0 0 0 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) 0 0 0 3981.647983 4569.087928 2601.542728 5378.497219 4303.019567 4463.317853 8080.376147 4705.677283 2907.035518 4121.005389 1899.428573 3118.451819 2788.187959 2538.87525 3382.86925 1681.463007 4572.789309 1623.410858 6192.029417 1562.406119 3506.732612 1059.194726 4747.667158 3262.606287 2260.681011 1129.750186 9106.572052 1916.272166 1017.942342 6091.723433 6952.860742 3766.138875 8106.278364 7474.215052 5526.959274 4549.433921 2256.652129 2251.286357 3025.372442 9184.518704 1319.66755 6251.134351 3751.789856 2437.507879 4420.033967 4591.074521 4126.738386 1635.381326 4581.687626 4652.176111 1767.898049 2426.182293 4771.103729 5992.434114 2792.116772 3281.508691 5404.795558 3475.779654 3826.006268 5255.328092 1881.04687 2937.416359 4554.06995 2348.938968 6070.433596 3962.226774 3090.478386 1757.130969 4430.566235 2382.804995 2065.799025 5441.6712 3062.932749 2503.684239 1341.356432 6052.482947 3685.42014 1527.353011 3494.528077 2422.0285 2609.099678 2015.65705 4670.614361 5680.862519 0 0 0 0 0 0 3267.000837 3214.309534 4650.964031 6412.40583 5073.219273 3645.522923 6192.346306 5720.51561 3624.066161 2248.492502 5612.971102 3320.583426 3447.077306 4312.523292 5347.627491 2178.454671 7081.653641 2800.268379 6791.815654 1635.15632 4494.674036 3172.378925 3189.680193 2969.218544 2656.529489 2258.845391 2941.240944 2327.455295 2471.313405 3924.647797 4703.719321 3348.614914 3393.668974 1764.689338 8626.593761 5951.572781 2187.506181 2539.238087 4041.768503 2024.039957 2265.337322 4543.766641 1761.389804 2937.197791 3465.081501 2846.724122 6455.959775 2297.708658 3597.062739 4326.142577 2591.906453 5362.732484 4172.618657 6428.40049 3629.440806 4164.704313 5398.912314 5322.017431 2915.339717 2072.921204 4917.071915 1907.921564 3658.314131 2074.740184 5529.659686 1011.368361 678.8705848 2768.706 2217.93601 2124.061192 2360.193435 3489.857937 1390.901813 2573.199976 3732.930385 3580.11454 6151.786778 3759.060682 2664.275857 5076.02946 2392.144363 2939.564319 4424.001115 3669.128105 0 0 0 0 0 0 3591.196422 4298.414879 3822.987038 3640.701958 4340.063007 4717.266958 6562.001715 6846.475591 2448.099618 3454.722085 2391.751112 6715.327976 2132.315601 2195.440527 2712.526362 3503.474385 2253.710455 5869.218999 6493.138791 3653.527358 6709.903923 1936.781437 2374.549687 2773.112899 3064.694629 1769.404275 1949.611617 2994.485145 4004.543976 5319.719167 4767.184476 1302.529231 2225.975835 2377.47153 2861.037583 3084.266275 2831.208291 3817.369253 1769.393594 3080.486021 8450.457497 6828.144956 2980.487619 4294.176732 4927.673579 2300.316152 6244.987919 2618.541978 4606.765682 2168.600769 2827.060821 3366.314817 5105.207379 6864.254424 1927.3788 3266.891461 4479.933037 2291.918134 1112.463116 11901.42868 1986.899425 2844.207954 2883.80091 2914.527743 5084.386346 2741.190777 1391.940234 7373.364439 6529.15851 10617.21609 4906.196887 4564.774126 2780.818581 2342.573813 3928.375707 3039.973305 4646.997725 3636.508212 3505.707666 3154.464071 6661.888579 3924.732232 5084.842913 0 0 0 0 0 0 4133.392633 3361.696458 4491.648133 3355.027406 2895.401628 3524.49757 4679.783971 4273.193548 1730.498925 3454.316167 3348.88854 2581.060645 4925.31124 16187.6474 676.6557604 2201.254446 18737.10868 4062.360451 5668.690806 2003.367264 1539.610245 4718.574834 1669.629305 2171.909984 3810.189547 2105.453994 1676.829537 2401.367296 2210.285104 4268.093111 6312.770384 12249.28705 1920.864137 3871.47816 2130.553982 10482.5512 13259.91654 2998.939089 2479.154183 2347.290357 2448.117362 4640.493719 1867.295093 2143.019068 2313.398319 1571.063851 1877.027695 1879.584522 5502.884752 2324.516987 1705.695563 1627.907599 5151.541883 4322.601483 3371.186648 658.2002131 3479.953981 2374.429641 3062.648145 1059.30851 2883.836819 3642.968936 3697.346475 3555.071975 3781.529104 1355.194027 2649.632692 4237.261118 1236.538138 2267.699227 2545.08253 2172.296812 3309.194729 2185.873744 2372.813475 4492.881544 3024.443078 3244.413857 29400.06548 4130.78006 2252.77695 5639.898655 2690.760728 0 0 0 0 0 0 4544.673438 3878.38242 5207.88856 5276.59658 3967.766762 5758.586493 5964.591182 5041.004949 3064.560076 2887.691155 5034.472087 5484.845146 2207.234094 2185.105075 3720.196946 1927.228439 2545.996617 3766.118391 5055.34553 4025.767577 1412.393698 5710.660829 3262.702482 1279.915749 2559.520621 2136.265274 1257.048138 4266.156616 1986.083842 1920.043385 4436.990404 3052.990176 3080.714556 5794.523406 2291.908803 815.1874542 2375.523029 3671.137516 1571.102889 4166.783077 1959.758047 5367.950324 2204.385248 2440.031519 1692.24773 2402.336651 1594.444229 3944.841381 1822.709754 2471.912425 1747.705424 3297.454984 3976.394539 5649.92617 3726.693069 2142.082382 2124.973278 2122.610435 4674.359246 2424.847589 1865.68157 1626.401364 2390.615043 2936.910928 5213.639222 2598.261368 1919.64209 2573.976733 1357.606451 2037.675207 3139.337632 2284.913039 5476.165987 3275.557309 0 0 0 MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate) 7114.44706 5517.456467 3745.604044 5771.141365 4693.466118 3023.734018 7571.972131 6261.332442 5631.278399 6465.707913 6207.466591 7618.186389 11447.45506 6470.375662 7534.436658 7352.467615 6746.621072 7827.146218 7521.42133 8483.982322 6660.66392 4446.329957 6845.76592 6447.616871 7222.181162 6630.094299 7035.312095 6154.891392 7014.499432 7632.158107 5227.377941 5304.298665 6515.886094 6908.15909 5850.260682 5591.988148 4993.231304 6677.640503 5672.540255 4681.679776 5282.608496 5754.311207 5794.213901 5289.394839 5071.262361 6587.129456 6650.015777 6614.820214 6890.142424 6177.045492 5188.746502 7204.699739 5234.507807 5858.203519 5411.162966 6205.21684 6990.345527 5966.784128 6833.099117 5433.917479 5902.115838 5485.878644 5906.919254 6420.602997 4875.45955 4717.9153 5323.242269 5210.050661 5139.513533 5158.780378 4905.936316 4950.249865 4654.008364 6222.864038 4528.754065 6843.694303 6094.157338 5219.489735 3704.505025 6651.134248 5420.363499 7129.657295 5471.995954 6194.46659 6289.999122 4654.1144 7028.32607 5756.611792 4931.276739 5546.955977 6283.200792 6222.832244 5853.470699 6311.229158 6082.661186 6720.893058 6937.503778 7546.972453 6762.296101 6698.975884 6178.51324 8176.415353 10594.55471 7152.125301 6676.204484 6922.557828 6509.575965 6710.881523 7634.113707 9887.999881 7465.164379 5867.28329 7114.932807 6986.95337 6920.87566 5461.265797 6987.862471 7479.917381 7455.697478 7148.52272 6890.081473 7422.970142 7191.41796 6662.308069 7090.981657 5793.54754 7005.981442 6146.190143 5956.779902 5692.987983 7354.994283 7458.367201 7471.440844 6572.92627 6836.253027 6409.807305 7020.931409 5782.032852 6879.110831 6305.605622 6721.462514 7154.702329 6770.545592 7248.051154 5965.796236 5683.699351 6889.610337 8374.571136 6706.794646 7062.840317 7335.921916 5844.442339 7491.238306 7484.649797 7138.31595 6658.541495 6955.838232 5155.560287 6368.71079 6803.699636 4723.598609 4914.52946 5491.344023 4839.861386 5755.632044 4929.626943 5094.589034 5342.804672 4020.059836 5044.03809 5371.405165 6598.053107 5206.675588 6071.55374 7092.889025 5170.45418 5390.873377 6055.29462 4041.176417 5546.327487 7498.515049 6825.32596 6179.759858 4443.600084 4578.62074 5985.270004 7555.939407 6546.696503 6325.784184 6858.317689 6468.726898 5761.206984 9464.342512 7824.626354 6232.43631 7435.451919 7500.768292 7468.522261 6733.039391 7296.708904 7575.503747 6700.161035 6100.018957 7063.979067 5956.195408 5929.525401 5936.583368 5696.155264 5280.684733 6391.547177 6283.054284 7221.101166 6550.512067 6026.24453 6411.201856 5663.614147 6674.798939 6560.806003 6938.391041 6390.569583 5948.672919 7701.91307 6849.562005 7648.610401 8177.253605 7707.972202 6796.567204 6388.775326 5467.059018 4755.587597 9397.370963 6275.470932 6753.452133 6651.301258 5799.132541 5421.102879 5884.060152 6310.171033 5551.531132 6655.477338 5353.641135 4899.158478 6197.769369 6752.647488 6559.330912 6054.719693 6133.919657 4886.220604 5929.394988 7001.623078 5763.004472 5424.264151 8109.697405 6072.637207 6646.661258 5579.023309 6513.917496 4696.950273 5458.354601 5569.050735 5392.30615 5157.845041 5316.577033 5410.243246 5416.914303 5517.061349 5503.966244 6144.464379 6622.134173 4350.272951 3733.043648 4498.25194 4106.912155 4538.721183 4988.767512 4252.783523 4643.120073 4753.177116 5258.475119 5015.355862 6409.232548 5555.797849 5180.798765 4813.365724 6118.291107 5364.605409 4331.065542 6024.087542 6404.953575 5745.925077 4866.334399 5779.740366 5634.629651 4748.134728 5539.595735 5730.993905 5892.253623 6377.622239 4356.438055 6520.718606 5826.035373 5051.520864 6064.04664 6668.361523 5647.801367 5405.043631 4787.178714 5053.727552 5897.359962 5734.261735 4543.914686 5025.218284 4268.116212 4467.508099 4520.271455 4455.485643 4956.527533 4622.884624 3978.966753 6528.434372 4577.871147 3505.097354 3879.929525 4419.883275 4218.696846 4675.329272 3934.678992 6846.733831 4629.713404 4473.485892 4717.81144 3351.278644 4717.969078 4652.350652 4941.919906 3997.340199 4578.407231 4339.786331 5859.087576 3588.152151 3440.989175 3717.751623 3768.038506 4661.267425 3589.670939 3234.166582 4457.939148 3839.389747 3582.58798 4101.784925 3842.258932 4890.485358 4294.566623 3429.508587 4460.661663 4456.833067 3675.328351 4627.298924 6309.350447 7041.842984 6157.956152 4468.839831 6681.032071 5428.138073 6557.81294 6052.736204 6482.030489 5610.97848 5067.267702 7346.746468 7646.682494 7081.65369 5564.64393 6118.693884 5316.51593 5713.093317 5578.349333 5998.474947 5327.49363 4966.711193 6175.535854 6168.766395 6555.280788 6311.073405 9507.560252 5583.74231 5903.35371 6219.24696 6615.479679 7311.363484 5969.729018 6143.048958 6789.381284 5980.636053 6711.078983 5391.138848 5266.425299 5625.238823 6451.109236 6273.229064 6116.885714 6652.696269 6640.326476 6575.06447 7608.965221 7259.855651 6788.241125 5461.012697 6347.864671 6799.927092 5497.172593 5543.121741 6092.99309 5867.145177 5340.089553 6159.802298 7656.476164 5919.408162 6509.151768 6850.577862 6628.271457 4882.606296 6062.495528 6605.681173 7788.470299 5024.231099 5749.827381 6583.713988 5755.186552 6902.708266 5714.658858 6476.362942 6588.298624 6387.538814 3896.291466 6829.460143 5868.791451 7147.391107 Pregnenolone Sulfate 0 0 0 4415.572498 5179.589602 4917.498666 3762.74677 4105.99265 4898.176597 5660.564678 6664.869419 4088.244833 4191.388924 1961.656805 5015.244223 2867.189851 13997.55466 7581.960429 2479.305529 2774.763834 7613.082993 5328.69226 2463.812188 2159.115041 7063.992829 2319.536927 6686.318856 3938.913543 625.3562734 2979.667869 3137.616072 1922.615991 3518.522959 5678.779817 4132.968775 2027.231093 4275.508017 3501.207857 3478.849963 2388.482822 13926.55239 4033.860042 3815.210029 5113.866559 4122.618533 1676.324804 5980.058296 8244.910653 6151.109434 4087.439957 4411.91704 3369.77421 5915.474545 4678.63575 5259.743529 3829.585307 5034.999082 2457.953177 4530.100188 8671.355543 4957.712878 4074.711723 2401.113311 3427.011651 10336.88436 3696.399179 2355.905474 5061.800103 5683.722734 4119.742852 6933.445886 3894.362058 1894.304782 1148.518017 1287.467151 4299.170397 2121.860381 3123.291699 3479.961671 4657.91947 1903.306546 1698.067329 2387.771446 2062.022624 2413.383105 3266.104037 3621.947011 0 0 0 0 0 0 4653.337198 4421.828973 4655.392555 4037.032696 3468.374629 3477.382759 5170.469127 4783.846163 5343.611689 9720.090879 3169.943467 6097.619005 7723.211887 10453.01648 7517.750517 2672.532191 7277.416181 8774.547329 6723.464272 31394.2695 9559.655357 4795.779294 6526.88529 2248.780627 2615.337842 5759.325643 5005.790643 10156.51394 6582.2733 3813.772407 4705.841787 2322.927827 6336.698417 10883.17475 3825.995983 3805.645445 4753.195101 1680.440999 7114.458243 4379.720637 4457.296242 5699.95737 4273.52126 2424.489544 4689.491116 2087.212545 4534.025373 6044.682411 15148.53037 2259.671752 5358.924971 4173.212125 2205.056565 4833.026203 5701.11591 1311.384965 2283.734172 3709.433429 5779.984623 12752.04244 5470.785693 1584.111077 3849.528376 2222.306895 3950.165426 3825.016176 4439.919069 1726.718723 4754.916346 3957.669673 11522.27807 2056.701499 1686.703141 2795.983893 3732.671946 3492.919959 4558.523802 5006.432309 2484.65933 4600.561972 2170.379276 1343.113976 4692.473829 3097.988797 0 0 0 0 0 0 4169.237088 3710.926727 3037.782543 3445.716337 3780.853686 3315.710405 6444.201328 5756.484038 4096.768572 4284.005951 2763.862004 3972.532214 1682.931181 3255.233551 2189.221542 2841.022433 6799.387507 8339.954066 4835.005518 2056.693069 7754.645065 2666.809416 1476.811461 4174.550479 2617.099572 2992.162476 1980.109394 2326.683472 2818.241346 3293.861303 5203.714997 3902.81676 3856.37385 3975.933916 5640.282696 3823.010257 3525.322812 15107.22271 1995.842026 1317.965985 10125.24129 4619.799671 4206.251482 5333.123577 4363.452814 950.4318103 3117.504988 3067.865714 6246.361427 2170.010069 1625.002643 7182.770693 3247.800023 5439.615406 729.5499504 4202.715577 8622.789659 5073.319915 1931.363655 4323.764588 3652.067474 3825.857086 2393.070877 7165.006935 5657.071717 4140.653295 2237.039863 1269.399053 1908.891075 16136.61026 3890.523421 9957.08287 7646.830986 4634.066125 4751.143142 3625.515269 5308.683602 3103.767258 6915.6539 4799.722761 3594.946657 4656.765643 3494.485164 0 0 0 0 0 0 2006.765244 2449.916366 3613.205662 3318.73753 3541.876267 3258.665018 4832.800923 5765.172778 2297.342284 1863.252587 1650.355075 2732.102066 2593.593768 12209.07998 1302.371962 2310.602569 7221.562543 1913.282291 4692.578615 2631.056868 1843.263435 4592.648631 13527.34743 19043.75589 3019.480134 4253.469453 1238.961761 1483.621251 1690.958358 3260.176722 5240.217168 4950.96477 2008.167193 3134.566972 2959.823156 2979.566155 6509.52958 2987.621467 4590.164445 3284.492415 3380.772421 4149.385467 2215.187505 5255.442506 2322.889204 10178.69825 3907.390531 1068.28293 3523.76383 2865.111464 3039.046146 2691.683975 2372.15098 4529.788953 1641.042964 699.4097288 8555.959812 4062.746195 3443.502716 2575.454398 3209.119139 4515.967292 1561.486129 1717.360833 5493.134603 1976.395155 5524.457357 2376.073824 1843.24532 618.475192 3941.239368 3498.375521 2873.091326 3276.451234 1212.108811 3068.495829 3066.400492 1817.52744 8232.914695 4346.802145 2654.678105 4917.687841 2662.475286 0 0 0 0 0 0 2974.590857 4114.977526 3976.925367 3437.126986 2531.426986 3931.777993 4577.78709 4220.476238 2392.801083 1339.293154 2827.858231 3191.774825 1653.521287 3200.096708 2408.557318 2485.542638 2375.146406 1947.339685 5306.335677 1765.225856 1004.890161 8954.788277 2725.605059 722.1289481 1488.951173 7011.492406 3485.915393 1772.110302 3530.521597 3251.482465 4737.576502 3969.767834 2367.472681 2705.503747 1310.540367 4879.1874 2831.800966 3028.540724 3618.796034 3884.090484 3467.377838 5047.784787 6032.231204 4606.739727 1579.655649 3267.774471 4588.807603 3143.27079 1584.722027 2365.312818 3630.733925 1637.760903 2860.810619 5022.159703 6405.924651 2719.792307 1411.553413 3331.641173 12531.47317 5316.269027 4288.688039 2726.489406 4434.710935 2547.122713 4733.325413 1744.343926 1823.986032 2709.825194 8045.214574 1645.884781 7306.652117 2134.176735 5712.40821 2476.820249 0 0 0 Glycocholate 0 0 0 0 0 0 0 929.4595513 523.8161005 1209.727861 877.2021021 1585.227712 2034.484087 2229.229203 2700.734242 3223.975725 0 1959.904725 0 1360.881189 1703.992795 807.8768189 1187.829223 2685.797083 3467.577827 2371.373717 1197.971103 2959.338566 1803.937886 3405.027897 1746.758642 2455.573193 0 1579.687786 2838.889388 2856.615176 1736.33608 1577.719881 3719.82754 1087.085999 3820.41289 3579.061287 2953.141086 3215.057963 2329.24889 2974.570436 1657.780165 7130.912601 1792.527346 2105.287361 1915.185376 2824.447396 1076.93729 4584.629124 1858.606931 0 1170.42541 1908.783255 3771.015779 2266.343748 5547.229643 3401.555881 1355.914512 1418.991368 13736.31895 3045.940986 1924.698289 1460.780848 1071.954565 1101.470809 4243.384686 1235.44437 1969.941121 3080.785368 1144.196737 6225.067529 3457.878286 4314.78228 0 1270.671893 2646.040846 3016.990725 919.6594801 2876.832664 1386.90426 1003.109323 0 0 0 0 0 0 0 0 0 0 722.0514353 0 0 1055.26439 1287.237115 1991.47319 2833.351927 2486.819228 2188.902953 1620.392791 2184.787418 2957.161038 3858.376374 2077.537924 1347.046422 1841.248491 3753.442916 1740.252634 2166.903409 1854.200171 2211.314596 3711.050305 3473.542497 3490.287381 1291.354766 1640.926912 0 1618.868572 1611.223206 1948.154423 1665.731676 2528.360429 1993.518636 2749.211467 1800.373397 2093.461782 2821.426728 3777.226264 807.2978559 5422.116509 3410.270879 5465.015828 3559.723813 2064.620378 3364.006399 2240.813107 2572.607271 2656.300652 4559.516982 411.7598538 937.3781488 4244.031211 3177.801211 2444.296951 1930.638418 1632.513454 2089.797751 2568.441729 2629.807046 2987.103573 1924.385994 1382.059812 2008.955997 2469.262951 3188.564622 2565.83387 3914.532539 3315.971069 4587.256725 5128.352546 2546.31791 1606.395676 486.9013263 988.7766809 0 2069.526784 4069.399078 4478.829519 2446.778976 1140.81774 330.1694775 0 0 0 0 0 0 0 0 0 637.7131995 926.2729584 429.8808887 1342.742484 2285.064866 2133.558453 2880.107223 4046.957745 3682.490949 3269.104913 1938.796374 2537.924369 1836.708161 2394.081558 5345.9552 1077.61537 1585.164484 2935.845466 2002.675552 2327.271862 0 1762.597323 1919.37357 0 871.4778939 2097.200956 0 0 1341.397805 2516.33864 4509.680755 2211.616256 5998.317586 5247.080108 1790.037299 3043.951983 2053.057834 4932.057848 737.8951175 2067.782829 2636.220407 0 1896.91698 2247.618884 2544.558499 1737.039046 2295.298492 2367.485461 683.0342871 0 810.4004583 1616.787087 0 13216.74945 1974.072388 2010.5985 5186.763008 6021.049125 2233.075464 2205.531367 0 1931.819952 4838.960691 5498.420275 1278.892427 1150.816251 9283.919133 4080.179829 0 5496.049911 3970.748364 0 765.6060866 1080.082947 2559.51435 4067.946419 1542.695173 2733.688504 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1859.448174 947.2978738 2216.169944 3304.094954 1421.477798 2499.348095 1057.968373 7154.736366 2920.741655 950.0439471 2856.562485 1274.268211 952.7728684 1411.280843 655.331362 3229.716309 1838.927779 2936.389064 2287.069035 1640.868672 2793.451857 2785.607531 1611.966356 193.1305496 985.0403345 3975.58987 1122.434531 3010.172534 5012.125643 3046.710823 3212.948306 2517.905434 1771.944187 2050.891314 1211.865581 1278.502612 800.4442283 1129.172035 1443.376074 1064.152568 1450.425027 939.214227 1172.950577 3368.043657 1939.132981 5030.678092 219.0128604 1085.320092 0 717.2864487 2049.843344 625.7592923 0 573.4116722 409.2536558 1803.519433 1649.637912 1848.258336 585.0418922 405.8023315 3758.787445 1007.322918 1064.270551 1041.770098 609.4457498 1205.390694 2080.862842 727.693953 1029.39885 374.4117165 470.8845897 931.3335141 0 312.271716 2444.400494 683.7507263 0 0 0 0 0 0 0 0 0 0 0 377.5059246 363.058916 1511.257803 887.8002938 5452.681685 2822.535081 2087.123414 1627.833189 0 2270.059359 1201.031963 2011.473279 372.0080479 1918.763278 930.7024245 3015.574719 2088.780971 1715.289118 774.824143 412.8912365 1173.797777 2369.945618 8989.071416 3177.012415 1604.071242 362.0839684 1054.066407 2107.21865 623.6686039 0 874.3902703 942.105803 1440.41804 2404.931201 1132.11108 1701.895178 0 432.6070968 1688.097057 3602.7123 0 1517.027778 652.6296979 1354.18187 1521.743691 1621.518973 899.9912856 2004.358641 0 1137.230979 1836.948596 4695.010504 1838.325541 718.4977614 0 1072.40779 965.1819467 1686.668994 0 4140.202384 706.7760652 1970.44566 876.9106953 3298.558201 807.6714278 2265.655458 1798.517836 2516.818487 856.5484295 0 0 0 0 Dodecanedioic acid 34345.20627 32821.79721 30899.31274 31993.70171 30417.20894 27819.24184 31080.2328 26547.77459 22538.97096 34959.67821 33453.31535 34301.10386 46184.66763 30680.5782 29132.68269 48841.84367 31325.12517 37530.21279 36074.37864 37922.72608 30839.63495 34524.37433 27183.33724 31209.38539 31054.19854 26279.65798 36181.44196 32811.63504 32753.67301 51078.83202 31819.88489 25902.85509 23757.2141 40486.68538 41517.42924 34510.06749 27505.90195 66867.80294 31194.31504 37290.74204 25889.26396 24474.67815 28485.18191 28403.54774 32838.06047 31507.45458 26971.81953 30708.99572 26733.42467 56290.28145 27812.15131 26980.70156 26860.3069 29323.40912 27856.35068 30858.93109 38542.3939 44279.55139 27043.05281 25282.1432 25624.64406 27315.21552 26454.01063 29780.43449 30110.66821 24704.01314 32347.44938 35573.13629 28565.50592 24434.45791 22713.29853 23440.67881 23304.18817 37525.73804 23180.86664 22357.61547 25391.27362 27082.37976 29121.56548 27621.70077 28243.6256 42930.57645 26084.87956 46452.71584 27215.14538 28520.04472 23673.9445 29006.7399 24466.54406 24054.31537 35171.89991 35615.6512 34578.96468 34628.02907 34219.85527 33340.91955 33314.34526 37990.51065 31146.34466 36302.68449 36743.80601 40257.58967 32496.628 31598.50627 29186.77617 30662.71674 30134.51923 41504.32585 32529.32299 35094.82914 32519.23441 34057.41975 35508.71345 33227.11185 36802.81692 33799.74816 33691.20249 32403.78968 32364.80655 33412.25077 32834.15991 33903.77846 29479.2461 37008.24266 40090.36924 36271.98339 32284.81678 36203.66553 34468.35338 31323.58354 36494.18214 35562.58796 36419.50793 43468.7439 38422.16423 36326.66098 34619.88043 34251.17062 33590.66275 30577.62326 36547.54331 34234.8755 38485.29251 35348.43151 29740.16977 32972.01707 37520.23193 31309.63862 30327.53442 44354.1594 29258.4454 29753.03315 32635.17866 41119.71733 38760.58493 33994.06172 30432.02405 28133.43032 25332.53663 32185.6068 22761.55154 24309.82873 24608.95541 27622.86747 25025.99244 22411.59425 20968.06599 25540.37416 23722.66817 33937.3719 25386.66881 24548.12614 23533.85501 27137.47638 34155.99655 31402.86842 25132.08636 23371.95382 22845.22819 25959.50003 31074.87262 34753.08818 33060.11249 27524.47872 34382.65342 29632.79021 29855.85606 31265.74012 31121.1654 40056.72613 41694.06232 32041.36682 30997.27625 37190.63631 34646.87879 41775.79443 33242.37713 31125.58602 38698.49147 29524.71093 27712.21596 33141.11093 33064.81115 29317.72214 32436.76644 31715.07607 27755.92285 31550.59257 28916.71335 32015.42957 34938.16018 30065.68358 34464.98721 31780.93576 39369.70225 37571.58747 32597.3297 39313.80052 32987.70882 31113.65841 33706.79606 94116.28178 29955.76525 40546.01333 39196.39503 43691.90318 24405.83018 25069.09013 28888.23758 29926.27531 103517.1453 25986.64298 31729.79821 35495.28621 22451.55957 24777.36493 31183.78533 30266.60347 23273.64542 24236.1641 21095.25678 21729.90301 23762.13971 24570.04522 25280.13762 28436.03518 25795.50202 25813.76567 23739.79168 24641.11615 35480.04669 34213.76428 26649.67819 30929.38803 28253.20762 33732.24574 64095.85291 25401.50352 26944.09184 31223.73877 29226.47331 29348.67712 26916.43008 24112.47382 27444.34737 27333.55507 27094.54588 29197.56569 28581.86188 20048.03593 22824.75787 19941.19224 21766.94646 20214.99852 21760.96542 19655.44964 23662.89291 25810.41499 28261.08586 29347.63652 27649.81626 22250.24127 25748.85631 24611.54052 26837.83362 29112.70054 24614.77564 29431.1895 28443.86812 25879.50037 30290.51707 25576.40863 24854.5314 28149.31086 27599.4745 36318.18152 24341.41194 34036.74293 29278.70005 50984.13068 48491.85776 24972.22729 30162.1372 26666.00314 25823.26089 29788.4462 26771.92569 30042.55583 26043.37508 26597.10794 32835.48676 20828.06602 19376.72126 22711.38359 21449.4677 17693.38433 20156.59142 18477.15794 22687.8709 29848.60754 20267.10467 20207.26491 19087.50274 18153.48966 18687.59494 17697.83054 25153.48563 20462.436 20164.63054 20361.42472 24959.66599 16927.54847 17348.59837 21310.75026 19587.9645 18509.50963 23924.83756 17907.84185 20169.01465 31553.53646 17793.89172 15481.09661 16574.83205 18769.66341 15879.99102 13501.81109 15466.87222 17909.61245 18241.1704 17151.94705 19270.63789 19288.17671 20555.61469 21043.85682 18418.06668 19321.73733 21083.23129 22759.86897 28619.81916 27516.76785 29030.5724 29995.79002 28150.09771 25383.36052 26436.18259 28211.96981 28351.44588 28129.68449 30135.34323 23194.76966 28072.17977 27524.14978 24768.19015 27996.6768 25286.0021 28433.21665 20388.95387 20702.55263 42806.62538 30235.01332 26356.92634 31037.96863 24098.06254 33010.60177 31656.06112 24272.73894 22567.25719 28440.26326 23608.39413 28121.94717 23174.25712 31130.71603 23270.45155 26389.1385 32976.01013 23233.76422 24631.95377 27718.90407 27965.25672 24704.67683 22944.93998 26304.67692 29491.97169 21591.28085 24317.70066 34435.60882 22943.12405 42862.57502 26865.66335 23789.67264 25109.87605 24666.97314 24223.43364 24251.08147 29761.39929 24492.71496 26149.38982 27784.07043 64256.37877 29581.4452 25922.75124 26832.13059 26507.35222 26855.65827 24824.99164 31097.50764 25549.80366 28489.47038 25489.09356 24188.30922 27158.63429 24397.65602 36175.20817 28970.22191 23007.52174 25154.94755 30653.47402 27028.63533 Omega-Hydroxydodecanoate 5242.799111 3656.832915 3254.959032 4276.350232 4782.555251 3027.505485 2298.152622 3476.576808 3629.938507 3263.655581 3719.73876 3223.926775 17494.08672 3055.573202 3523.524591 3079.020355 3170.812364 2980.479277 3274.353747 14848.39161 3526.988458 3231.32601 2735.917537 3312.268016 3989.14119 3422.15618 2437.828008 3370.115677 3182.218083 3340.892057 3262.659037 3536.815292 3477.159368 2710.225416 1800.520189 2938.972474 2817.837787 3681.157091 2502.4395 3358.502142 2762.694746 2391.319386 2680.998373 2616.500328 3456.740721 2750.503967 2707.55873 2436.746958 3135.116656 3509.495513 2929.352107 3061.913606 2915.599078 2256.98571 1213.185685 2863.846954 3282.250273 4182.086516 3117.526073 2643.281784 2837.406866 3059.852268 3266.174136 2933.851897 2135.744184 2420.41237 2536.341502 2444.914302 3063.327807 2813.723853 2943.984403 2640.77973 3053.332043 3284.78921 3551.193352 2481.962523 2796.482318 2900.441265 3162.820189 2523.305838 3470.744116 4307.422418 4698.871525 4849.170866 3344.446572 3258.341221 2947.969612 2690.257242 3122.757039 3085.539552 5968.499973 4957.86468 4643.341125 4261.446822 4490.878792 4895.183294 3346.705284 4080.531391 2342.585102 3725.583686 3621.368443 4058.525792 29716.35535 3377.809237 3329.990719 3668.837082 4465.012807 3129.670807 3465.99277 18365.50342 4391.722678 3378.881513 3133.359445 4477.189234 4815.154507 3860.153731 2962.628976 3384.539564 4386.529321 2383.442693 3971.683834 3345.699309 2712.108175 3228.915062 3751.264499 3382.487551 2730.692866 3118.700984 2772.08395 3700.706877 2775.723665 3142.186542 3559.933975 4133.473212 4195.7183 3386.039278 4460.673847 3640.677873 3038.316284 3262.223287 4799.257666 4115.287074 3899.370198 4151.527064 3125.841248 3508.432114 4136.279122 3763.747049 3069.430233 3819.73077 3243.802197 4210.042613 3330.143679 3684.627576 2002.073129 3902.680015 3575.236375 2168.881081 2440.369506 3375.315074 3859.030868 2512.728455 3673.560316 2398.201872 3230.088664 3180.468661 2567.625512 2637.890541 3157.249325 3207.375502 4130.402253 8318.654054 4326.056731 4560.39313 5388.908686 2819.776494 3102.356743 2532.328943 3068.020192 4474.027524 4939.267073 5132.527467 3943.27449 4292.767283 4484.955226 3420.761322 3784.687355 3330.745584 3702.198386 2892.899312 3176.104472 2742.81669 33254.57791 4826.805999 5220.916634 4093.39434 2450.706306 4493.554555 5040.933455 39994.67134 3376.961432 3768.38356 2818.713179 4081.110818 3788.345203 2886.981369 3301.894094 3358.477563 3936.710921 2985.640509 3810.171181 3916.666345 3861.185008 2541.637051 3768.253346 3055.648195 5636.587942 4163.386854 4719.3768 3662.447442 3593.623595 2567.932805 3866.53988 2987.661727 2676.554047 4796.465625 3429.20474 2672.303606 3660.685309 3386.706793 3443.06066 3441.061679 4073.301053 2478.331933 2325.594348 3431.120685 3255.689889 4124.722914 3519.905553 4352.342017 2738.670001 3037.160783 3831.003844 2649.340016 4581.567228 3161.95864 3073.798675 2413.19536 4328.906991 2904.831692 2966.002208 2634.836395 3953.760142 3502.943335 3777.644137 4343.018912 6183.801078 4084.180429 2326.332055 3106.617912 4122.717288 4465.010384 3241.526768 5225.800673 2052.841597 2920.618435 4190.883508 5390.990624 4862.146765 3814.448653 3125.756363 3940.54992 2388.39691 2866.872498 1979.613171 2365.927313 1765.216686 2494.497889 2790.373724 2904.466389 3035.617662 16405.79517 3579.278913 2700.24529 3067.231243 2922.965178 3392.190343 2994.633329 11755.43571 3243.676903 2304.267943 2617.120537 3327.638193 2721.609893 3007.333599 3456.345682 3569.129758 3296.818027 2608.837065 2250.322318 3153.533594 2371.512044 3201.044117 2823.783523 3095.165415 2957.06443 1951.798921 4224.241954 3248.717402 2807.466484 3111.202782 2492.071423 2904.201192 2710.711439 2777.718805 2424.848037 3070.707283 2429.583117 2478.209636 1837.15696 2488.284776 2693.832146 2391.506508 1191.500923 1580.991369 2314.071637 3148.117865 3257.725524 3100.871772 2740.230745 2813.267905 2548.212836 2755.127376 2429.918343 3045.860522 2553.736672 1834.312699 2328.123371 2941.491966 2323.458052 2292.426955 2799.800131 2622.86625 2332.882241 2722.497476 1881.393699 2152.780377 2338.760533 3590.161789 2689.808344 4053.320396 4413.265893 4141.796554 2603.829103 1698.444369 3105.396083 3974.044003 3877.039961 4957.415026 3749.362792 5720.309418 3837.098317 3715.037267 5000.772973 2639.807382 2847.232756 3608.835629 4011.794072 5180.751353 2865.6161 23224.45201 4915.971919 4441.328713 3566.848033 2203.384276 4277.409548 3062.90793 20272.80468 3198.852578 4364.331927 3033.942659 3939.449962 4727.832502 3556.89333 5097.916419 4216.616844 3626.339934 2470.784249 4441.629514 2381.064654 2628.461314 4335.222878 2741.887477 3941.591737 4505.924389 3004.942709 2442.649057 2891.664947 2301.37406 3449.783094 3216.219599 3298.773626 4474.894175 3119.271803 3956.764267 3168.129697 4232.983274 4420.837884 3201.415563 2843.369191 3949.743991 4619.888646 4884.70903 2782.972011 3270.766986 3399.141978 3796.584167 4880.371585 3035.481792 5115.848026 4365.503948 3821.785905 4598.201648 3250.356087 3152.337493 2783.137892 3612.295506 4294.934805 5074.728629 4853.070289 4827.526477 3993.911818 5028.580885 4159.885436 3269.058325 5461.667545 4594.249797 3686.856849 2-Undecanone 2209.029915 3207.090303 2409.126832 3534.754722 4713.224033 3901.127788 3800.185933 3768.393881 3942.882357 2862.886394 3137.912827 3062.29285 17171.75515 2175.345322 3143.531352 2372.604067 2781.263808 2973.007082 3253.793332 13251.45112 3087.279326 3292.734206 2310.972034 2742.074891 2540.431195 2446.24989 2693.979349 2424.040223 2600.829999 2441.176141 2815.057147 2515.905829 3461.004629 2497.92748 2234.236299 2166.696424 1488.392081 2168.849774 2387.791042 2580.961687 1686.429039 1930.22124 2030.559715 1948.721765 3307.212612 2407.91253 1995.189973 2632.468116 2316.827758 2538.417833 2351.273016 2049.977161 2403.559863 2526.981544 1945.189301 2971.383836 3135.316692 2124.989581 2754.779666 2094.434017 2085.210341 2598.830619 1362.511621 1419.294886 2669.668066 1933.982729 1771.493282 2170.502675 2596.366782 2369.909526 2681.582206 1720.114686 2321.003846 2304.094474 2682.697607 2189.901521 2231.951463 2236.787477 3130.702018 2081.010558 2599.064052 2731.461503 3878.204912 3135.160086 2855.588187 3424.168359 2847.213075 2457.616524 2319.254105 2504.632022 2865.825069 2520.339787 3400.296262 3909.944817 3795.510763 4213.670432 3639.701623 4097.166399 2749.763036 3373.453061 3516.551439 3127.901998 28464.31951 2219.232273 3563.568251 3245.896915 3695.861499 2047.07024 2697.979473 17697.84694 2979.633924 3534.828296 3578.604614 3334.485816 3561.95194 2917.79654 2008.108029 2705.285105 3279.874195 2483.142589 3457.716588 2645.482418 4506.17907 2696.225956 2996.312341 2931.320096 1872.772077 2427.860199 2293.650413 3528.236677 3165.718315 2340.051581 2700.840148 2331.552487 4210.178849 2605.176513 2145.569113 3129.968198 3636.417766 2541.996186 3559.700763 3170.966662 2528.053884 3172.583628 2672.050945 3496.198484 3546.97286 2833.962372 2407.001639 3264.895888 2895.545653 3286.159468 2831.519509 2539.614506 2853.596267 2498.659864 2844.683943 2440.476673 1599.334817 2612.921048 2935.226448 1833.309266 2839.21104 2295.026789 2565.727921 2590.840574 2780.535925 2262.471146 3393.167997 3225.666229 4666.714341 7557.014489 4683.529691 3008.120277 4095.466662 2669.839364 3184.785016 1496.709962 2459.623976 2165.250781 2500.383475 2977.504917 2943.628954 3715.428054 3953.894782 3926.934713 4990.377548 3302.006261 4870.331054 3456.42056 4455.618039 2684.259178 30634.98091 3394.697508 4034.373386 3277.314908 2289.829148 3897.751126 3598.945367 39959.59403 3720.877989 3743.95463 2946.501618 2980.361937 3051.047616 2431.376627 2627.980143 2754.882152 3244.94075 3101.422526 3152.303439 3437.67065 4069.1847 3747.789989 3702.083488 3082.623938 3823.73362 2847.393745 3117.24653 3888.543784 2978.606538 2808.468742 3243.095973 4038.471081 4200.199066 3673.116079 2782.486582 2053.57956 2919.854219 2875.853312 3401.501705 2706.063505 3107.416064 2928.078776 2630.952146 3638.406408 3265.818515 3094.930685 2485.500924 1861.495071 2381.557349 2174.069671 2891.950097 2889.067881 3811.912627 3549.396669 2706.039939 3305.749792 3813.057089 2593.751932 3263.366306 3069.628588 2924.45589 3827.085399 3021.201256 3098.015621 4433.826066 3183.3837 3488.239164 3041.809799 3205.660371 3271.350307 3658.679659 3504.674275 3702.831384 3505.237169 3108.139688 3104.013036 2452.318752 2668.150196 2006.217091 3142.141908 3061.693445 2578.616125 2510.458103 2426.917377 2869.484772 4109.176987 2961.124754 3014.471794 2514.283092 15174.38985 1716.747809 2358.763383 2577.117756 2181.058791 2741.683181 3294.244094 10688.13664 2543.382832 2485.976713 2009.83064 2200.4375 1955.102846 2817.977919 2887.537484 2184.102243 2842.011559 2632.435817 1483.732904 1657.981223 2531.484595 3067.779721 2106.371045 2315.119694 2382.421019 1559.021389 3491.551658 2305.630415 2368.231703 2270.97259 2129.567589 2311.519769 2337.678183 2251.426717 1871.144116 2031.332486 1719.282405 1586.812599 1776.212615 1908.797564 2382.309926 1859.872524 851.5027845 1412.781566 2240.802196 2447.453165 2783.079332 2337.336548 2004.8374 2163.424556 2081.294155 2105.704374 1837.644158 2385.873237 2156.347418 2024.276426 1939.784742 2523.62055 1917.897736 1948.851343 2246.046969 1791.440584 1832.090212 1942.245301 1589.479941 1946.724524 2499.083577 3031.425586 2204.024792 3442.994791 3683.5784 3555.138126 2627.801707 2394.625314 2244.239473 2959.912245 2980.540459 3285.048783 2427.493137 4295.623039 4389.44831 4244.226789 3680.700561 3549.374684 5210.774253 5214.209728 4139.932504 5012.251126 3308.488129 21945.22713 3790.533725 3426.255192 2926.588416 3062.727591 3267.430945 2277.721289 19385.74895 2373.882302 4087.476718 2101.102028 3023.003504 3649.435677 2318.355244 3595.892797 2960.064769 3572.991762 2071.912649 2238.872382 3264.931293 4221.041212 3996.875297 2427.8936 3160.687807 3043.959062 2580.847814 3016.074742 2525.765801 1888.23483 2712.121892 1712.551576 1546.679647 4354.200595 3403.989045 3039.230821 2397.965589 3459.438622 3487.848816 1410.296845 3126.243724 2797.667897 3882.158905 3848.067683 3825.989274 3434.328828 2543.805708 2887.306596 3796.335764 3395.832108 3886.883978 3536.505667 3072.295662 3764.546377 3007.887487 2486.465012 3944.026783 3257.061564 2959.807983 4510.341599 3940.874603 3609.181701 3482.756132 3572.114724 3964.414161 4367.729941 3960.664394 4251.170821 2485.564587 cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate) 0 0 0 762576.8576 762477.6952 724690.4832 667255.2493 649521.9867 587460.6569 4010.080022 3550.17477 1170.092883 3147.611381 1374.447692 1049.978801 437.4070308 909.0916562 588.360475 3982.310067 2673.688698 745.0562091 3260.976567 995.389098 621.73948 480.263565 411.064855 444.3807967 155683.3255 753.6311568 858.0609997 2613.027674 317.239654 571223.3488 3896.331637 3167.978157 810.9682461 639.2394372 1140.09071 772.8744856 826.6073121 12083.29714 2394.316723 702.7539199 5959.746173 3061.278469 984.2689149 1920.592591 1256.840223 137.5204888 400.1049119 899.9650504 460.6922098 242.2334606 844.5461469 2598.807689 533816.9634 3539.667075 0 10691.44603 0 58146.33209 751.3542244 5545.352806 1207.086674 1027.09985 908.2390787 769.4719074 2755.444935 2115.346636 597.6222635 562.5982669 830.6845517 909.2030355 607.8304113 3379.397193 799.4930707 154.1155964 706.6647525 502615.1666 3369.936746 483.8786695 804.6058293 0 1142.948685 0 1884.330703 522295.6732 0 0 0 0 0 0 700206.7312 675204.2304 659056.0165 590940.6315 613117.6932 587597.5147 3338.462874 2298.6507 444.9909556 1167.061641 998.7911311 756.1796846 1060.571435 3213.488787 769.5791835 1943.553932 1607.24602 3586.066662 3004.773506 2841.783271 2427.748486 377.7905392 19263.97168 470.0394844 40680.9838 1955.096384 1247.038157 1534.892622 888.2803272 526691.8463 2960.36546 1138.19653 23364.41433 31244.91494 0 468.8650618 1838.445012 0 788.2212561 1056.26529 2197.633046 2393.534274 979.1146207 1226.058563 1871.571709 1835.038023 1812.880907 521.4209694 629.229658 838.7396715 1060.35309 1634.97687 544226.1932 3587.24198 980.0817104 1732.560036 3225.623289 74444.79255 684.0272206 1031.943055 1040.746384 239.8309984 582.8388701 298.7276297 2867.588006 443.9910712 521.9204557 0 659.9036957 1669.547439 635.4701619 764.1544643 583.3021709 8163.05157 1100.469544 509452.8066 2694.346811 2421.514383 0 1652.669781 652.6748688 765.6967414 2553.429204 475089.151 0 0 0 0 0 0 743189.0406 730443.7172 688583.0464 623991.9222 606760.227 615201.168 3408.72041 2411.722464 653.4392702 565.9281552 478.5018291 1513.678867 664.907276 528.4931115 735.5037645 1141.597565 1182.956787 2574.048705 2761.728898 747.6478345 2489.346252 4297.609826 1364.630835 612.566276 2053.725235 902.7837518 914.6706201 0 1025.205442 535161.5268 4554.066124 505.3937194 1611.011143 1022.452187 1621.019711 552.644032 708.6889949 709.3173242 1074.671015 217.281341 10772.2146 3875.899064 1314.20036 1724.839986 578.0509715 11270.09017 1457.044475 920.3609482 365.9885116 963.271451 617.6312033 3292.076578 559369.9851 3723.408207 668.2548057 5353.864843 1128.024887 457.5245936 382.7954308 7188.52277 801.072685 1705.776863 813.0467982 335.3210158 3418.695352 1001.672843 0 309.2696503 314.5728675 749.872668 413.9978057 4581.086504 1439.152086 838.8706544 482.8454278 526383.077 3099.763847 686.2458634 393.6150809 473.0722217 1012.498158 2263.090663 491511.2528 0 0 0 0 0 0 522940.8684 515360.1903 524198.8307 521021.8962 478952.2155 443690.4311 2374.615264 2425.286127 0 1197.371442 676.3968549 981.4754798 762.2632063 1733.149824 503.7871946 1031.167708 741.8587549 852.007033 1782.764575 665.7351015 243.6749643 0 540.9732535 681.8654345 456.1819649 1390.613252 594.722233 1000.573221 0 456534.3143 2474.971559 1066.711313 388.0910484 575.4283621 797.6900269 918.9511472 1689.9525 612.0652891 392.203692 1570.334016 1059.214325 2435.729579 796.1760423 1471.917474 881.6446265 547.2984998 963.8433429 0 833.2746548 721.9396623 67.30220292 1653.622614 454871.9593 1962.650768 247.2421365 339.4116586 597.3768255 1064.969925 2836.665987 931.0431167 244.7068689 963.5956927 232.92596 299.2644901 2075.043332 952.7277543 471.3166723 210.2073349 245.5843826 151.3034536 396.0634837 1027.836413 207.7049045 332.8364768 539.5437859 428907.2592 2731.781007 872.4575085 542.235637 2925.662501 696.9522673 1664.297664 410474.8983 0 0 0 0 0 0 639015.069 642256.6765 587275.7186 534934.1398 524994.3286 528567.4342 2300.134895 2438.444335 1273.431568 3052.899391 1558.97094 695.6708305 229.6313463 690.7814247 1642.37757 782.9246531 424745.406 705.8123348 2652.750456 965.2976703 198.1435145 0 570.691835 396.331328 463.5496044 915.9483355 504.947565 3189.903819 875.8121139 473871.6523 2954.921592 1450.821735 1605.652426 0 1047.024302 672.7588976 548.7106974 1955.887324 924.4504078 548.3262107 436.4318918 2066.062008 437.3597278 415.8948884 1943.022793 721.1482658 574.2344857 759.2599571 695.5702664 2102.845193 1705.334913 1205.156917 496209.4579 3552.973687 1477.458885 1095.009272 904.6059186 947.0208555 752.1158456 646.6948787 340.8616592 2581.832766 0 651.1658755 2595.807107 828.0946513 1962.459474 1842.257033 500.7159619 1072.109817 1011.815683 1208.409056 1887.161585 459297.929 0 0 0 Butyl Paraben 42337.24432 42012.8696 37598.82666 40552.40074 38744.28771 34901.79996 42142.1852 42086.26336 38377.09282 37933.40445 39299.85941 38551.51219 46643.6458 43686.87267 40363.38086 42830.15901 40686.29477 42022.55206 43422.11866 45535.60712 39167.19392 36788.29367 42555.06096 39566.13044 41079.75407 37716.75671 41941.54578 38583.3672 40564.54459 39565.654 44356.46115 37839.04091 38629.64915 35764.08369 32232.40347 42352.49291 37581.11173 40844.53245 34351.00761 33133.45741 34351.17303 36407.82434 30444.16049 33273.43813 32621.50802 37789.13868 39959.52137 33607.63847 40426.0096 41051.64686 39399.29987 34702.75048 37913.82648 39158.70004 35449.73354 32579.35567 35443.496 39537.29289 40325.50147 32548.64143 34557.84573 31712.39346 30639.18562 32966.36493 32787.88817 33500.26458 37272.95671 29096.30326 29312.69915 32499.08907 25103.81861 28039.21499 26213.11888 30548.94523 27717.43609 32094.5229 32446.57727 31981.71163 37398.86784 36213.12523 34442.6356 37062.92674 34561.43011 33547.03682 34571.48201 31785.15959 31304.51534 39085.32608 36332.05005 34712.0205 37031.5504 36576.34223 33764.53203 40255.65723 34809.9065 35851.07552 39812.1613 35264.96881 35821.19519 37996.03093 33794.90689 37177.17566 34497.58195 36579.83103 36295.81797 35391.19045 35157.28917 35989.86478 36781.31599 40067.00634 32865.02821 30601.02376 36796.01423 32200.39353 30885.01036 36062.83064 31824.87073 31726.24067 31116.06178 32668.66317 31780.33209 33857.24759 33809.2265 32892.41771 34109.13578 28449.79616 33126.1885 30385.06497 33567.83082 30097.50468 34386.47442 32216.07337 31809.98683 31494.3687 32147.25743 29430.48596 34496.20276 33738.25763 36386.24333 32460.30335 35547.31882 33172.932 31451.84067 33703.76992 33352.24468 34031.65958 29451.05065 32927.26066 32045.50814 35513.82829 32702.04154 32824.89274 33489.01028 34126.93636 31017.66091 32835.94618 32939.24885 33979.49583 32961.91041 32625.67855 33891.87694 30264.92182 32547.90416 30816.6246 29238.46245 31661.33404 32974.43803 32223.66884 35422.9629 29429.39352 27947.70965 28772.93714 30539.63851 32321.12457 31131.80235 31913.24201 30929.95563 33146.03254 27062.29825 31779.78473 38045.51393 37664.58101 40413.38257 35639.77119 39422.29831 34749.79278 35070.26085 35320.63894 35752.10044 36077.75031 38531.53919 37507.2099 36030.18881 35983.31766 36459.83432 38506.44316 33329.36883 31349.32161 37800.93857 33975.72912 34174.27287 33100.73813 36315.74925 36003.08557 32919.86483 31024.2356 33626.37583 34112.30357 32966.10772 32472.17087 29471.82725 33135.90508 34137.84999 32980.59664 33265.04788 32286.41576 32730.82589 29703.14453 34988.33555 28896.84706 29585.244 31933.37904 29258.04275 34364.96751 31617.36399 31990.1454 30561.67175 36012.74256 33822.91657 34333.15323 36949.78034 36585.55681 33366.32282 37422.2773 36643.7641 35848.26808 33231.98699 29408.21817 34861.67131 31071.99063 30864.63137 31716.52422 36116.39056 29993.78327 33815.82326 29231.4376 31195.38252 29375.28903 29085.44302 33624.91453 31577.54047 35528.32621 32327.33997 34082.86075 30632.30183 33838.04623 30940.56937 34310.91967 31661.14947 35673.37758 32286.73796 31413.54703 32180.07627 31241.56657 29528.23863 26615.26591 36743.73803 37410.70726 36543.57421 35368.82747 34635.85593 31219.79805 31148.94317 32218.70275 31409.91376 37920.29989 36569.48248 34026.55861 30469.99681 34853.76036 36414.49713 34672.77397 31467.71622 35101.4686 30688.34191 31748.19574 31625.17555 31846.94314 33208.5628 33431.65689 30796.71828 33548.48908 32646.34446 31941.04704 32494.56666 45759.68627 34122.63165 27477.56038 29280.7138 31569.82726 30749.66422 34280.17304 30738.78032 31016.06179 29865.03601 34029.43587 31510.61864 36199.21748 34452.74637 34193.6199 36179.24929 34724.02806 33107.40337 35524.94563 34265.00491 38959.71825 35567.12698 38374.16857 37405.95447 34149.92505 34899.78264 41002.15504 31501.20041 37315.03891 40832.74673 39003.60446 37683.27123 37424.53256 38061.92088 37195.38421 32916.49281 37966.89649 33231.4008 34839.0377 32273.60336 35684.15452 37747.92849 34622.93069 33898.52859 32725.5139 31995.12297 37284.76138 32008.08618 35142.28204 37027.78577 35995.2939 36054.65853 35978.92263 39637.8688 36827.86578 34657.06051 34926.91832 35615.61511 33135.02913 36543.96154 35613.87608 34587.28615 34459.97034 52161.22174 49616.423 47536.05854 53697.97643 46149.97307 42916.60381 52081.24657 45106.65074 42780.28271 35692.27647 42870.83451 44416.27758 42901.88678 42446.5741 42080.89527 40231.27945 56887.93342 41925.89722 42955.5642 43023.62852 43379.08359 46901.11949 48077.05326 42900.69066 40254.22008 39494.64222 46694.4303 47230.08471 45172.51242 44473.89036 43264.63526 41075.75566 41803.60468 40516.02178 42963.6759 38473.29557 43335.23154 35410.28049 38545.40558 40946.3958 42284.43248 40284.32712 41262.96516 44518.67222 40188.246 42476.62211 39044.32438 35488.38865 42064.41007 40141.88783 38279.52994 43228.5173 38817.0012 46283.68479 38214.08387 38961.09799 42108.82644 43364.75272 40979.73491 44687.48503 41412.78503 41934.98557 44214.23996 41223.55058 37963.99519 35360.50904 42485.99479 37106.63628 41869.36244 41436.41659 45437.10293 46549.05633 43250.10215 42866.54071 40198.97872 40217.0448 43393.06487 47253.99836 48932.16312 44833.42754 Taurodeoxycholic acid 3067.237432 4569.943623 3013.827645 4704.709768 6875.08221 4892.920035 5937.867201 5245.202885 5667.173352 0 3511.452432 5787.555261 6442.524858 6029.122279 4899.023553 5752.094775 5951.850075 3954.959215 5073.898763 5280.541318 4424.828665 4809.488673 6206.723758 0 5582.21764 4346.455255 4738.488214 6745.318631 4379.813334 5585.631969 0 4439.4697 5669.484872 4016.010868 3660.455475 5800.201835 4977.155334 4958.437336 4810.241598 4644.070832 4669.825048 4348.917281 4844.783152 4638.839615 4570.794592 8313.884786 4901.646286 6089.412911 5403.601113 4832.442802 4490.390297 5609.545958 4655.209401 5314.819052 3954.101731 4261.234427 5051.978508 4239.537429 4029.339143 4348.970543 4268.637041 4114.254704 4264.188027 5405.72951 5414.665621 2889.624523 4481.313359 4542.395033 3343.968645 2908.964879 3237.363179 2733.292563 3234.748567 3273.265888 3366.789748 0 0 2126.76957 3438.78656 0 2910.884007 4177.779346 3531.553624 0 0 2073.621254 3572.274671 2231.231661 985.5021174 1794.351769 2641.383597 2864.279342 2398.250627 3853.398064 4386.101074 5472.816557 4456.731279 4455.456539 3444.73749 4406.591617 4365.772039 4302.446356 5971.852039 5917.853867 3401.09098 4386.739765 3367.063436 2803.431836 3709.607862 6422.331482 3941.165706 3035.863517 5943.806949 4131.357107 3727.200473 4501.333982 5256.994003 4060.399675 3304.329967 4322.227898 2818.094697 3813.06477 4300.028246 4617.04736 4355.122062 4239.73065 4251.419099 4331.455689 4263.344328 3433.949759 3452.699031 3379.176262 5792.502912 3236.061324 3952.04171 4394.89773 5405.331232 5895.780664 4853.039282 4341.619743 4917.207164 4272.40499 4192.304479 4616.216372 4912.418864 3203.341787 4300.667884 4804.956554 4062.08435 4525.018331 0 3769.493789 5152.84838 3033.807453 4435.316708 2723.425119 4130.539481 2101.356912 2678.884743 3426.764422 3117.887905 3923.381521 3307.912149 0 4689.35355 0 1962.961093 2982.730872 2607.790585 1952.65507 3254.449332 0 2912.607337 0 0 0 3306.103362 1309.801788 2464.554454 1494.23214 2669.152451 3516.105871 3301.981523 5270.176732 6028.960308 5415.446482 1753.549803 5140.045623 0 3345.490154 2736.657872 0 5020.21923 3976.247363 0 5789.008439 0 3960.162379 3952.38565 4719.299264 3638.385938 3903.420162 3110.180177 0 3881.755746 4711.818305 4238.79209 4337.145326 3745.048079 3931.728765 5035.292796 5591.975458 5079.887461 3671.260379 0 3428.083984 4708.817546 2942.117714 3779.413723 6581.616065 4163.303538 5256.828564 4752.327527 3786.1996 4226.355459 5895.344987 3115.867944 3128.846813 3353.17455 2422.170546 3747.165648 3631.592687 3964.88214 0 3428.791694 2924.038343 0 3897.893238 0 3634.80161 3573.019685 3203.94179 4638.732637 3604.276693 2896.527985 3591.304188 2484.784269 4840.149711 0 0 2274.00052 3398.121108 0 3928.481033 5305.777309 0 3344.557055 0 0 3779.716133 0 3008.424501 3577.149453 4268.991709 3840.929736 0 3786.305873 2403.578855 1311.867016 1893.211196 1382.379386 1279.476303 2806.347784 1909.343668 2550.775511 2425.922119 2202.538747 2409.578255 2931.274666 0 2716.332319 2397.545054 3143.63695 2875.488228 2469.362518 5171.333332 2771.951691 3118.927669 2798.078815 2285.595327 3235.930585 2681.102916 3665.633358 2958.672205 2871.017035 4526.623254 3079.786063 3166.676856 2091.584609 3898.105207 2069.457004 2992.771782 2558.808173 3598.754275 2465.938662 2927.60542 2666.30249 2970.896807 3821.690752 2698.075206 1778.509118 3028.786419 1651.978109 1560.596542 1983.071361 1372.412718 1826.887456 0 2563.136227 0 1886.221444 1495.542171 824.6531081 4606.216269 881.3864911 0 1732.975123 1419.57998 1407.215801 1998.243745 1742.095332 797.059192 0 1271.809979 0 1203.948733 1429.38117 0 0 0 0 0 0 0 0 886.4899678 0 1537.154461 0 1989.487601 1087.273664 0 0 0 1440.674197 0 880.2964493 0 906.6316659 1477.05137 1428.148393 2610.045301 2945.159505 2599.704876 2870.092673 1920.039347 2183.129599 2143.0918 2430.08196 2488.437712 2111.377118 2963.282902 2887.898741 2047.078035 2877.602577 2305.246865 0 1041.168107 1421.112508 2817.256103 0 3017.239224 2302.47003 2022.846308 0 2011.533167 0 3275.973485 0 2082.664962 0 0 0 1683.181557 2818.70277 0 2471.385769 2425.497202 2784.867318 2138.039952 4638.700715 2892.086056 2259.400668 0 0 2180.617564 1935.532808 0 0 2745.434048 0 1717.835198 0 0 0 2526.30772 0 0 2803.582363 2077.547202 3928.920473 2921.873191 2075.805737 0 0 1615.237454 1679.923333 0 0 0 0 0 0 0 0 0 0 1124.87129 Perfluorooctanoic acid 24380.79043 15645.70361 22274.93658 17434.8571 15585.55289 23197.00923 17373.53465 14522.11628 19798.84409 18864.56494 19095.25244 22841.82399 21392.4735 19225.35821 18813.39518 14955.2761 14402.59248 17238.08317 17034.7368 16041.30162 15392.78992 14488.10246 14692.21901 14696.88434 16516.55748 16700.39664 18220.88507 18689.68912 18303.92485 15255.91199 16982.985 13838.06959 16972.02863 15497.38985 14858.48899 16899.2441 17074.57132 12431.14837 13192.19246 14972.4375 19405.31451 16866.91721 14352.51073 13646.93423 17982.08055 16272.0596 13850.79683 16588.33555 14680.96804 16877.26521 15013.60706 14638.39727 19696.24237 13385.80751 15272.46709 15286.82751 17102.66128 16463.01399 15878.64716 15952.13815 16581.26949 13820.80439 15612.54138 12885.02688 16101.25369 13667.2625 12576.68848 12035.63214 11901.30782 13259.1356 13377.21883 11450.56311 11945.44128 14753.06603 13786.41637 14611.14361 13626.88205 15292.29062 16199.29004 16242.48043 16267.01494 18566.14463 13735.53452 13410.52253 14981.76157 15347.17095 15553.72969 15324.62412 12968.34662 10839.90435 12599.93489 16674.03224 15116.95653 17366.66022 13700.43161 15820.28119 14251.91108 11975.13535 16754.43359 2889.609956 18194.88511 16464.40126 16454.77788 13584.63086 15770.87155 12609.32858 14089.14194 13218.59381 17653.23798 15309.28419 15611.45921 14996.30485 12937.79738 13799.53254 14967.7543 16942.14916 16692.59582 13026.02439 13453.77723 11680.28688 13444.31359 14885.10857 13242.48547 13940.22961 13404.58214 15279.64641 16134.63256 15919.16947 11583.54103 14636.73996 12394.59112 17961.10871 15934.29726 13456.89853 11341.30685 12854.74503 15211.2037 14440.57523 16848.37598 14499.34037 16876.44541 13985.19659 17246.43768 15671.68825 14273.89188 15488.29012 14824.2711 13648.41408 15781.29934 12096.89202 13605.60806 13704.04669 12957.06278 11582.85474 11789.6983 14166.31231 14148.51257 16233.16936 12676.82088 11902.88981 15739.8964 12147.53147 14399.94469 14341.2718 11559.48647 16971.96417 16434.75265 12687.3334 16768.38694 11901.27893 15125.46543 13144.36611 12875.67871 13400.39711 14471.07938 14524.16809 13098.90027 19107.65453 13535.74947 12974.57751 17197.94821 17655.56755 19322.31688 16622.51534 18017.59773 15409.40753 16481.74905 15729.49171 11604.59426 16495.14468 14974.52216 14977.68995 16170.47863 16160.34376 15818.03089 16209.10438 15471.69264 15054.62477 12544.64466 16553.43238 16061.87485 14252.45001 15245.088 15849.63123 16399.40695 17116.90627 15630.87299 16935.41757 15817.41315 14130.81422 14996.39698 15701.31949 14034.36172 14684.65497 16413.25743 15120.12062 12542.52326 13930.10809 19045.35732 14411.57232 12694.16717 16040.54463 14950.42714 17000.21907 15023.93419 14541.86665 13736.56879 14462.49107 10536.23619 13981.82728 16875.28894 13503.60412 11586.84369 11112.80076 14211.421 11942.13582 12643.29174 13528.01036 11889.16752 11889.12763 12595.19886 11190.54017 11689.11934 13198.52763 12734.95383 12776.88413 14695.23732 14890.19231 12987.67545 11707.91895 12659.28011 11196.89593 13055.77519 13205.54152 14085.09537 10686.5324 12058.69023 13473.56183 11879.51164 17298.55134 13113.26984 11239.02592 13055.81539 12893.18428 12581.60147 12027.11248 12263.74398 13490.94527 12704.63468 14927.98059 12438.42558 14117.58256 15286.30517 16624.89769 12753.27555 18183.92029 10928.6932 13332.84342 13036.49531 15592.6331 13704.48578 13853.4342 18753.46046 15147.67968 16200.46069 13114.86623 14503.75773 14362.61332 19919.72752 13851.70192 12451.37961 12670.92182 17900.41992 13126.87798 18350.97674 16907.00675 14432.74281 17605.44202 16124.6881 14203.76731 14652.18934 12338.57129 14312.67893 14121.89034 15115.381 17212.38785 16512.30022 15787.0483 13771.18377 14163.13641 15242.64642 20215.42733 16320.37915 18448.04886 15852.21718 15753.65877 15325.68824 17856.16579 17674.81571 13625.67695 16897.90613 15670.04209 14530.1255 13722.00562 16223.96477 14251.92771 14675.31532 13866.83555 17283.2112 11798.10149 12881.74064 14207.78037 17332.07047 15114.7291 13999.69646 13174.81418 15336.28188 14398.59569 12638.97463 13574.67722 14215.62885 13826.37172 13639.31305 17726.10459 14001.65641 13113.05787 15594.32371 14305.43568 14435.63046 17048.16052 17972.06667 14333.91097 13567.02546 17877.7448 15137.33372 20666.18708 15681.82595 17212.1143 18568.04642 20596.32187 22538.73174 20067.81238 19605.15684 18422.93651 22098.46163 20965.02396 18475.60405 19426.11585 18121.01487 21829.34244 22197.20079 17680.07637 18993.1694 21256.91679 20016.42567 19480.06297 18775.09385 19020.69823 21914.59727 21348.66595 22875.38272 18830.80645 16104.24695 16238.55916 18371.11963 19114.72677 16057.07791 19063.48795 16878.71011 18183.3159 14203.70853 20210.16585 18767.73836 18633.56052 17555.4928 14775.68326 24077.07769 20022.84744 15038.8649 19690.2194 18757.97015 18188.67491 21235.26442 17993.59084 15861.31428 18581.14967 20679.26388 22279.82578 18322.42855 17919.98499 15389.28229 16120.16627 17763.5951 17039.26677 16386.33192 20683.68841 21808.80351 15399.04264 18524.6387 17307.00312 19770.36401 19263.80058 17855.90782 17832.61952 18708.31991 17514.69427 15894.26447 18181.4174 19121.06115 20209.6679 19100.6317 16721.99703 16184.29543 17437.28056 21102.60282 25293.52678 19343.10293 21414.36786 Cholate 226719.5754 217366.8825 210247.6198 209182.1984 210224.151 200270.3309 183323.4179 188107.6758 175877.35 191260.6784 184293.2237 184874.7226 186162.7741 194579.9579 189808.0352 190350.3667 181682.7537 196023.3224 188340.9745 189213.7799 185597.5111 185417.2709 179977.0864 185585.9818 184823.5558 179070.7504 186733.4164 182484.8164 183779.0684 187943.5493 184935.075 177290.0708 180554.5997 185257.4078 164557.2817 172381.921 165806.0506 170244.8464 175646.693 162955.3552 161216.8827 148346.6672 165871.8831 164053.9647 169070.9214 171391.8053 160009.8952 172682.9874 157126.1815 182777.5011 154214.1995 153143.6954 148489.7125 161842.7135 152087.4637 158267.4744 152957.6934 152058.1252 149435.3956 138600.5668 137372.0491 136728.9748 138480.1005 126584.6853 145574.1614 134517.077 140037.8128 141216.5956 153943.7743 142140.4332 141710.193 132749.5139 143477.0053 153467.1303 138983.45 127622.2041 153349.2433 138676.1825 144763.1415 143457.2315 134321.9216 154717.1589 142224.1152 153775.295 130103.7465 143986.79 142738.1461 161676.2718 162976.3579 160074.6316 198682.9945 190201.8435 191679.4478 181690.3454 173636.5315 179126.3973 183631.2469 175425.9406 175283.4763 171087.2392 178567.073 176005.675 192374.4606 174927.7728 164478.678 178220.88 171222.563 168925.3985 171101.6445 171975.2468 177417.2929 173681.5707 171741.2714 163329.1292 163716.362 167987.6018 170211.0402 171329.9746 161042.1722 161676.7921 157194.4206 167546.1544 169060.7741 167438.055 161545.1127 165802.411 154891.6811 157016.2832 159992.9948 158472.5019 169258.7767 162530.4813 164613.3141 159108.7862 150831.5465 151528.8937 145704.7042 154124.5292 148401.6584 155822.6645 158637.3911 152234.251 151732.5382 145373.1661 143906.8654 164620.5995 153864.5508 154132.5642 153937.1483 162309.3036 203864.9293 145119.0047 139708.9532 140085.5881 134935.0036 150869.3775 134915.458 146358.0382 141771.0151 153855.1932 138904.6237 138636.1765 139627.9434 131547.7639 138431.4398 147748.7982 142219.3363 138204.3304 154576.2969 149144.1297 135954.7882 138056.3098 151463.0182 149334.2486 150548.188 145123.6084 153813.5928 178431.4524 168301.773 177748.3455 198933.7831 197872.6451 196252.6078 190349.5957 189561.5969 183510.5285 177521.5258 180844.0732 174294.7854 186298.2794 174038.0478 186202.1517 192367.2506 180798.1155 180322.5102 170863.9372 182235.6794 174447.7243 177495.7817 177761.4833 175568.5178 178216.1405 176353.1642 188193.8485 168932.8062 169379.644 155474.1945 159375.1 155173.9518 157582.1886 160302.7733 162806.9603 157399.5593 166337.3656 159774.6523 159167.8309 160390.2043 149194.0723 163821.6867 161509.9909 155814.4073 165998.8244 170807.1112 172246.4468 166553.0059 156492.4121 149300.5708 146674.5102 146305.5326 149426.3911 169143.6544 157422.9599 162610.7201 157161.0092 156476.4602 166025.0624 158693.2102 165671.7005 151962.7527 149371.467 146523.1669 143079.5711 135448.9773 140252.8725 142419.915 142646.5324 135472.6414 152774.1775 142048.9045 187373.2057 158011.3805 141563.3124 251714.1158 142843.8675 127766.1803 172198.1152 149742.1364 136167.2916 147707.8079 138292.1748 136095.9891 129868.0659 135388.155 160442.3859 139551.2096 158816.5255 184916.984 184570.8554 183865.861 151580.6278 155936.4439 149100.7384 158001.4846 149644.1597 154059.5912 151001.6872 145538.8082 151808.2303 154045.8846 162883.8906 156282.4516 158677.9964 155673.7111 161458.6459 153147.5495 170636.9278 160032.4218 149649.5222 155498.774 151543.012 148848.0068 146923.6162 149348.2038 150273.5211 146682.4276 152360.3638 142715.2471 138488.9261 148132.0549 153193.2891 141628.2257 148659.1837 150826.5348 145156.1828 138992.1083 140431.0257 133138.8809 152827.6501 134766.5351 139958.1236 138400.9042 137250.5394 135970.8964 147704.4215 132841.2936 129898.0055 131098.6135 133649.3745 131858.0687 140086.1278 139320.7448 137360.1763 136727.049 139069.2792 146487.8123 140460.2177 139288.4664 149166.7246 134137.2531 145036.8353 135258.0309 130752.2773 125391.6506 124993.5777 118496.4518 122867.865 140532.4472 127610.1407 131684.2343 124670.1143 116497.2181 127310.2273 123326.9829 127268.3398 122359.8639 116309.591 119752.6226 138895.7484 133022.8113 125299.4143 107667.7049 115606.642 125663.8836 125951.9996 136611.6781 164191.0659 162452.8963 159311.9892 191167.9994 202313.7139 200048.0342 200798.7622 195869.1615 192429.153 196401.7808 189619.3118 189170.7307 186004.8243 187069.7815 182554.7558 181882.8409 169843.4221 169080.6236 165747.5177 161577.4135 166145.5271 169899.0667 171779.0854 164587.4472 174132.8997 175266.8547 176622.6963 168909.913 176024.6699 170255.6734 171092.4551 186913.7027 162325.6838 170031.8464 168754.4324 166952.0043 165212.5648 159689.1214 158472.8712 158468.041 158157.5017 157257.0537 158140.3342 163461.0372 149789.2298 173711.1255 159733.9126 159806.8651 151476.5387 156076.0767 155231.8397 154072.1919 151576.1419 161005.1444 145402.1283 157775.2818 146752.4894 150980.7091 157492.1825 161111.7976 150690.679 161145.0082 168287.9916 163882.8989 153507.7022 143234.727 141937.6612 144478.534 146321.7701 171570.9235 151215.6939 152888.738 153144.296 149085.6375 135742.5432 139232.0125 137683.3879 142124.2302 157534.5019 161133.0642 183228.0968 198786.7811 190195.0399 Ursodeoxycholic acid 918.3025507 1086.484288 1483.806012 1001.461244 1047.062972 1474.99127 976.4645899 1240.678281 1572.892822 1330.961538 1376.934703 955.6675972 1119.015292 1252.204085 1145.853161 1078.079718 1292.392874 1516.924144 1268.072521 1634.551776 1530.695421 1159.943097 1522.183549 1109.527499 1578.412236 979.111729 1661.103458 1535.302365 1303.034411 1702.675153 1210.759496 1244.222027 1282.812903 1253.634115 1083.804888 1209.289364 1304.58529 1689.122755 665.3025799 1144.884053 994.6884926 1004.685359 1182.904234 1398.512248 836.5779931 1516.681373 1331.244111 1127.916552 1134.685433 1461.637205 1132.828441 1099.818773 1673.132719 1145.727347 1953.594185 1314.100539 1117.3752 1402.929481 974.7274504 828.1596858 1441.688204 1456.10066 1292.589144 950.501369 1203.938714 816.9152029 0 1364.41599 783.8515944 152.3748139 425.496488 0 0 598.4181886 521.5873224 484.3938541 746.3556074 0 482.1538114 593.9711669 0 791.7961438 608.3432274 780.1344738 0 0 579.1948607 441.0809803 563.9186409 532.238373 1023.244272 858.3782943 653.5585159 1157.653401 1177.209926 868.8583967 1236.307208 1032.67827 956.5749107 1056.417689 1194.487262 1582.890502 748.5686506 942.2273977 537.8623004 1175.953843 647.5975765 894.1422789 716.4583051 682.4732448 1083.518368 1126.344552 970.011407 1505.320004 913.9311917 762.403333 712.4526333 835.9057342 1110.649313 764.1026549 791.6026747 1160.059099 1326.785723 906.5693572 1020.858106 1181.026886 1316.109087 954.6249313 1244.882208 561.8967455 1353.391104 1072.015795 1637.747424 1210.97488 1016.476479 1215.445407 805.9864459 1415.910764 1162.141419 1523.393085 1141.447172 720.9848651 1170.595435 1375.850506 1026.083677 1287.905561 1518.107172 1363.588664 1202.82851 1270.394731 991.6229554 1355.692274 904.6513776 1025.299628 1195.925809 937.4571535 929.62036 287.1276673 337.1128145 0 0 0 0 0 401.4384093 336.484819 549.6713352 66.30937125 329.8170812 314.5939305 610.092512 106.1512821 0 397.3849156 0 0 544.3705679 285.0185099 192.3861592 618.1459733 667.1453203 1012.100534 774.4825117 531.5508279 579.2042236 746.6743059 933.4828223 942.5200363 607.7001167 686.5159342 887.5505056 450.4383825 1113.122167 586.3117933 556.3894374 834.1302651 1208.200559 959.2882884 559.9777889 718.9732095 569.3232593 861.8563965 350.2769009 946.3676458 513.7375164 1044.251238 686.868089 751.5858986 702.5481903 634.4255351 941.9417885 1061.077565 867.8785555 570.870609 752.9131352 818.4736724 502.0492216 869.9117809 627.7544164 781.5003449 754.5004038 961.1661343 1022.809633 1233.263566 551.315379 1438.320289 0 536.1102948 711.6116743 665.9104886 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10532.81951 10985.17264 11480.76464 13606.69249 12183.89458 10927.63929 10767.975 10594.68237 13443.7365 12655.22043 11625.85266 11673.97498 12900.55385 11049.5326 12183.22066 14041.54195 12331.5359 11941.51254 10929.42281 11909.71212 11361.81831 12111.26498 13464.32333 11645.85518 10976.41183 11056.38931 10083.76879 13148.36002 12328.48777 10303.92253 11402.41066 10492.85394 11847.78818 9652.117149 8581.770942 11223.95301 9923.507213 11224.47702 10271.03353 10552.38673 9583.357161 10756.36816 13209.56969 10488.33289 11280.75701 10332.74166 11785.36527 10484.97871 10836.83595 9873.472352 11500.00779 11863.20658 11598.60441 9944.708166 9285.977827 11192.64479 10112.71124 11320.66118 9409.104884 8340.882695 9175.247613 9114.441168 8287.439656 9722.254663 7852.57033 9881.669673 8078.044324 9444.171675 9632.342469 10697.90339 11009.32319 11200.29405 10290.19814 9577.616968 11322.57678 9993.592869 11869.71546 10323.48871 11083.47125 12324.08905 12638.44941 10775.83562 11205.26578 13209.12626 15030.55951 12851.62064 12513.38883 14901.23132 15107.58375 14907.53459 13709.39135 14092.81084 12882.52296 14448.66587 13930.49251 13542.96799 14374.51004 13495.72555 14870.00384 14365.91225 14938.278 14106.92382 13351.99906 15851.38143 14379.38449 13174.7007 13103.89591 13645.79939 12573.51566 13444.36542 13254.54165 12817.74371 14277.56287 13079.73357 12774.06078 13658.78725 15065.42776 13991.91106 13237.54527 12755.46771 13316.44892 12775.81739 13542.18866 13600.22897 13268.09218 12896.03205 14998.82275 14748.20462 14504.80446 13331.30099 14402.65018 15451.02208 12501.70848 12523.10574 14406.7381 15243.06617 14622.77528 14697.62425 14865.54699 15445.9926 14694.48358 15388.38585 13980.70979 13540.26506 15246.24706 14377.13708 15050.42158 14921.62332 14219.67462 14362.06912 15078.4133 14968.85573 14356.1144 12855.11095 14021.32172 13703.4541 13403.18322 14334.63166 13457.10001 14855.9733 12887.78927 15892.65437 14618.75951 12152.30673 15750.68404 12890.55985 14921.66454 12786.60095 14782.92519 13371.81702 17803.57361 16124.27612 16897.94308 18896.17303 16842.59884 17389.1494 17260.6004 16660.22341 16489.15547 16260.23363 16434.84747 16037.56192 15212.27637 14798.94071 16001.86185 15544.49887 12661.10087 14029.34966 15441.41525 15365.16803 13053.74997 15910.79419 16445.04054 14310.35573 15589.88881 16841.79345 15447.86186 14261.07264 14441.35717 14413.20924 15615.54963 13716.27963 14757.32452 13724.27765 14764.00845 14438.24077 16079.52928 12955.42033 12973.41034 15552.23701 15071.88406 12583.22636 15377.79393 13524.99286 15085.19268 14739.67581 15028.9224 16704.31777 14383.23798 16343.11827 15216.39963 14541.438 14839.72797 15779.68939 15524.0352 15100.05553 16141.48495 16619.77995 17462.49434 14381.99967 15200.13677 16644.74737 14974.44339 13037.24361 15969.25269 14890.57216 15602.2303 15497.52566 13395.65872 13266.77737 14808.634 14563.43782 13184.81556 16306.31747 15623.69856 15423.1685 13528.37899 12885.28467 13997.32988 14922.42536 14852.42535 15620.2086 17271.63557 13583.02267 14376.62095 14571.08669 14307.68218 15139.60094 14825.9931 16835.47901 20156.4679 19857.99482 13245.59695 14132.21926 12343.61819 14139.1239 13020.57941 14485.28336 14016.45887 14274.59519 14857.61523 13858.82809 15598.57571 12399.95074 12812.53045 13510.70527 15362.3997 13902.17202 15224.36809 12631.11625 12856.95144 13780.50951 11519.53399 13634.97987 12710.38578 13606.54526 13431.83363 12996.22596 13929.08387 13972.80067 14785.71775 13517.03082 12941.08008 13663.56653 15251.41964 13651.13579 12516.88867 11826.20904 14726.6013 13742.54918 14435.53938 13103.20997 14400.58648 13938.32979 13653.88407 13611.80436 15265.9894 13429.40199 13433.88235 12653.25306 13634.64581 14748.40465 13071.22726 14947.24865 14751.05483 12808.35698 13651.29088 16964.99955 15644.28582 15806.27388 15725.4672 15351.50615 13459.52185 15095.99245 14007.82384 15531.19668 15169.28084 14776.42657 14292.55403 13512.43263 13603.60068 13444.98933 14186.55011 13457.06857 14216.12194 12943.20215 15564.66894 12848.18391 12700.42792 14018.49125 14753.92435 14006.24505 13071.14855 13291.97861 14378.32058 15407.63531 14461.25545 16291.28027 16151.98196 16328.47295 16335.92447 30376.4663 27479.93043 29800.9071 27636.11329 28638.69928 26008.75859 29235.65 27639.03128 27833.55245 26915.77263 27392.03232 21799.31195 26299.84169 23345.30005 23358.28618 25382.32721 24896.77145 25539.45314 26623.12288 24707.68402 27231.64195 30532.56983 27115.93481 21678.5483 25342.13214 27000.01354 27541.40521 28776.60601 26427.45208 23805.55215 25769.69272 25104.14256 25723.04371 26393.82038 24087.98336 25764.7476 24263.63803 24063.5885 21596.91516 27204.86354 30539.57405 23918.77743 26702.84585 27329.98934 28477.03091 27505.59102 26708.4041 24586.40895 28556.50093 26279.40915 25998.78562 25861.75727 28698.36429 27846.89066 27452.38441 26443.00594 29885.25641 25978.30537 29151.05091 27170.50778 28135.23421 25398.13746 25251.90491 27111.54943 25498.20065 26506.24422 26530.98888 24876.86717 26613.16117 27020.39907 29397.2717 28023.71259 27385.64386 27884.86935 26157.96946 27595.23339 27970.98227 33415.70357 36033.28196 35359.72234 3-Methoxytyramine 112634.1851 109587.7194 110949.4755 105583.6471 100229.0639 90292.43729 96686.67901 85884.43901 86769.83065 99277.41235 92499.14483 135293.0207 102937.0972 146365.8102 128918.7733 130514.3836 135212.787 158134.5261 155361.4158 105199.9447 152164.3015 143753.3201 167463.0648 147905.455 161054.2376 143358.2788 138791.4563 141112.4709 122661.8387 149208.0708 150461.3843 146787.079 91885.85926 101855.4969 131663.6647 147968.5188 128653.8682 132795.3822 120435.0022 118902.1381 135664.2048 116753.6784 114746.5475 117781.0709 337473.6594 139803.6772 150871.8702 126284.2586 153378.1391 147263.9909 137927.6896 131203.9892 138480.8428 134537.4331 127888.7486 96289.6623 95631.62899 136944.343 131285.4184 115152.3245 114731.1928 122138.3077 124416.1182 120574.3889 130271.492 144847.7404 120858.3053 87126.10551 119172.3885 121173.3229 105187.446 88989.23976 97263.20149 99690.85862 101013.2497 108223.9783 117581.2377 106247.4995 83856.24379 84036.29755 123019.8304 129467.8374 109971.5832 133787.0781 118529.4324 83456.51511 89652.25749 104011.2887 98572.85321 91148.33555 133189.3201 127026.3594 122706.8933 121731.4791 122344.9917 115693.9972 123320.9074 123867.6757 124758.5087 126878.2358 121838.001 175339.7903 125921.0432 159624.7137 179419.5195 170598.654 174353.348 151483.0145 176629.394 136276.0513 175138.8475 121740.059 161447.4409 156180.0167 167164.3609 160655.0075 156483.0483 156449.2013 169064.5552 168782.9078 170873.0701 160376.7576 128903.5068 133580.2283 175952.9548 154556.3244 152388.4365 163358.5425 155476.981 161922.0129 155342.4481 158595.8862 168075.9602 164498.287 131772.6526 158457.8817 163572.0572 155314.6986 156134.8091 169815.1577 177884.513 167108.5012 161145.1935 174590.919 182351.7326 139518.1976 137345.9037 165646.6002 164627.2139 157833.2979 167210.5175 164006.1087 165366.5929 161157.456 161549.8451 166203.7719 175608.5322 144172.0684 161923.8127 157157.4683 162502.6496 160332.4357 181855.9871 176902.6535 182915.0302 171507.6674 185344.0635 171858.8852 142501.4491 140491.3862 162168.5818 158947.4535 161763.8187 166075.1485 179720.9527 141748.2774 148522.1532 164232.1165 154817.8115 173818.3274 203059.5363 205305.044 189235.6612 194127.7735 195714.2288 181097.117 177520.3487 180595.6322 180269.4622 186179.9713 172823.0275 229030.3643 204247.15 244090.2887 239066.0724 234051.9378 231587.9007 231008.851 237446.1929 193619.6713 224130.1577 169365.4825 236392.3729 223976.1569 227469.0511 231585.58 231034.6266 220664.9535 239452.9084 227923.5305 226216.8398 217901.4639 168653.3369 162383.5322 212288.0406 213274.3277 208213.5526 219358.9507 218044.9378 201862.4326 199926.8111 223239.155 218244.1684 218353.4071 179429.0082 240085.4217 249788.1041 220946.3671 244153.1615 223630.8808 235202.7341 243174.3365 239212.6338 229561.0247 234908.1102 180246.7698 165244.5019 232432.7975 222282.9052 201522.4917 203894.3847 218763.5181 225336.5378 215392.5704 210001.0844 198873.7739 198151.988 154059.0597 210810.1773 217079.2346 208833.8456 193264.8248 225661.5169 181274.0833 195429.6866 201623.5913 203773.6076 201713.5162 182494.025 169393.5976 210010.94 219937.9039 199597.0617 202804.8755 171551.9701 165217.8467 193597.0613 204171.2255 199539.8283 134128.5449 142909.1798 136191.7561 137619.8692 130333.3658 135557.3097 141291.6163 135473.0017 131244.2303 125768.3765 123669.1446 168851.1128 142913.368 183510.9035 182028.5603 188772.5513 185843.8859 172104.4041 209733.7553 144847.7956 174627.2816 139855.1495 185189.5583 193674.6428 180515.6458 174829.03 171252.1414 165688.1901 169449.7707 169424.4304 165583.1153 186333.2811 133123.4969 128996.8884 159979.5951 160267.5383 174453.0411 173859.029 191579.967 183306.2864 183133.4406 169237.7542 192661.5392 201142.0785 138585.8366 177403.0487 175173.3054 191743.4907 190468.6381 192819.3378 232073.0945 191773.6176 172313.6544 180887.1413 185297.3478 135187.6781 136133.9923 178371.7859 186882.919 173169.5749 179087.2442 172975.0744 184576.8775 177147.0711 180161.9542 175796.7326 172980.3573 137474.048 158717.8374 167668.1856 168859.698 155518.003 168540.1792 161512.3382 157356.4261 165755.0301 152836.1117 157368.5727 134874.5864 137022.0444 162023.4604 152024.0239 164530.1772 179771.8069 139838.5433 137268.3824 139365.9511 150565.1738 144203.218 292652.195 292447.0277 289051.0497 270031.0562 275501.81 264943.95 280065.4688 270852.8854 275512.1562 249099.0739 265352.8989 300932.1905 290016.0697 306563.9003 312241.25 330602.59 314893.0552 345603.3293 323392.2369 293987.331 322801.7746 287025.9389 354145.3825 325211.9107 330764.4985 327611.1948 346717.3967 344394.1537 341387.491 338283.0084 343573.9403 338312.2724 286866.8642 286866.7587 361876.1176 337365.3629 346977.5474 323742.732 317154.89 362253.923 367579.7476 337091.7209 343653.6688 372572.9532 305633.3959 366773.5206 360236.9409 327368.9905 341068.7722 351127.7776 350080.6726 338425.9992 359227.3084 324744.4289 331657.4909 302298.3399 306358.271 365155.1594 348745.3188 353998.9189 358965.0699 371811.6623 347969.2675 376157.045 335697.5634 328973.6045 362145.9538 275614.8943 338754.959 335505.1836 348971.8679 394891.9617 363055.1879 343840.9402 336259.3358 315808.8419 306481.6249 373956.5675 380968.8963 378708.0812 Glycolithocholic acid 5320.046832 5153.796587 5578.125534 5039.112811 2993.417762 4598.037923 5611.317118 4278.407797 4270.113295 4446.581923 4785.381026 3945.152748 4191.433657 4021.278379 3353.411979 4057.159929 2828.555781 4444.32954 3980.460184 3588.000534 4011.170903 3901.992288 3715.739332 3908.202096 3975.590532 3428.768094 3796.290186 3112.212904 3317.200482 3409.160425 3895.598753 4040.010655 3952.356416 4248.776897 3807.31855 3604.070904 3161.955173 3314.89963 2820.27457 3101.461966 1941.179108 2850.628702 2270.253786 2112.386173 2567.531635 3157.736306 2762.545968 2810.823769 2220.81346 3162.157827 3018.683065 2777.338535 2834.912249 2872.663672 2966.343107 2711.35948 2619.163767 2341.110232 1992.210085 2281.326777 2582.753839 1971.573991 2090.379999 2860.213876 1797.238711 1376.069102 2051.089802 2011.155138 2032.445392 1022.426319 910.7324599 1236.450269 1004.394613 0 1318.845606 1459.880335 2412.784179 2330.134595 1840.098035 1886.468606 1572.704388 0 2281.801835 1793.60136 1668.478154 1710.99058 1882.643152 1394.259845 1444.369148 1791.273098 2598.540488 2415.33073 1978.421569 2131.737043 1902.472941 2192.028498 1707.708091 1779.613453 2068.527611 2226.587699 1951.650245 0 1957.661107 1194.58657 1369.523542 2113.289483 1935.543032 1701.608893 1663.259376 2196.214606 2258.720786 1688.827555 1683.206991 2157.010241 1492.764551 1613.204155 1882.531382 1172.767445 1895.376875 1888.611312 1745.890602 1294.182022 1869.695175 1791.245717 1800.21024 2413.378506 1523.702509 1699.676049 1246.201095 1386.483406 1239.021012 1662.137213 1773.428424 2267.242823 1815.50196 1907.748345 1037.370079 1703.754807 1670.996267 1780.071403 1788.355026 2325.501122 1071.444091 1901.394202 1465.506004 1832.175434 1916.692092 1229.067055 1828.073578 1543.803016 1560.693217 1045.410141 1443.184502 1891.630187 1592.530943 1782.742621 2132.529879 603.6859622 825.2469749 807.1167568 766.1975283 979.544729 572.3470317 686.6570969 1072.472857 1064.854349 913.1206264 888.5977207 1252.139042 859.0639529 1214.970724 1087.972191 1115.393663 742.5285041 702.0876393 1166.413181 1363.637457 1159.47254 1191.050559 1402.628126 1652.513099 1309.9398 1610.647505 2202.674445 2451.499615 2487.899593 1731.943808 0 1831.893316 1644.876577 0 1260.924638 2290.850721 1832.653757 758.1264444 1164.315102 2032.681368 1809.007862 1888.998924 1011.616241 1599.881348 1066.061787 1506.123282 1512.236145 1770.602024 1811.989829 1579.746999 1553.00248 1592.37523 1483.111672 1068.947541 1111.123804 1740.199459 1441.477021 1446.472781 1304.797212 1184.038861 1389.720231 1620.750863 911.2626116 1662.860862 1602.120423 592.3434147 1351.293083 1824.555696 1278.586076 955.6388645 899.6883553 830.7750265 938.5947491 0 1213.051803 0 1021.968847 661.6323327 1451.485764 936.2198299 622.3891129 1029.174682 1346.595702 928.416327 1034.379874 1745.236561 1103.087502 0 1387.198628 0 980.7922778 0 1511.864416 947.3235608 1052.756211 1215.511697 0 1239.420452 1505.88101 908.9249089 1101.058935 0 990.3702985 961.5864081 0 1126.741975 878.5088714 982.3488232 1071.349651 0 861.8766183 0 1206.474006 1101.54531 630.38824 462.7094078 348.5664548 631.1122593 1317.21033 0 0 1057.104791 1012.383621 358.0041737 728.9043488 1004.456594 909.1852858 422.4881953 1063.19315 622.2474999 671.5884549 637.3056772 510.3941833 420.5599269 553.9586452 331.7998021 553.0046621 616.9314396 642.6121384 413.1426061 385.6519526 553.5554232 519.7592714 756.2282947 0 655.186078 130.1549673 499.653052 382.6596675 811.0936142 696.0217719 353.5466387 545.2140228 91.07144267 320.668344 252.8239418 393.2754603 229.6995625 488.0970974 373.0402485 302.8916889 404.4784871 235.0853096 230.6077415 299.538217 396.7448131 70.96529639 0 284.2731241 556.4007649 0 0 0 0 242.8033209 0 0 145.1726604 621.0008624 222.5496644 438.9398216 515.0511399 63.54953065 184.5792133 76.6730289 80.75195427 236.1698013 0 372.5444847 0 0 137.5175418 350.8160683 0 0 170.2645408 0 0 461.5070793 98.37836801 628.4810537 3258.186153 2292.493119 2287.992727 1427.60285 2521.956097 0 1874.159376 1581.17851 1462.32893 1930.126059 2056.947363 1311.404327 1899.109966 1497.290334 1916.886713 1434.395561 1779.247909 1498.401999 1017.194372 1277.751737 982.5634277 1092.037574 1570.018656 1050.551706 1059.190171 1127.401526 1334.045075 1564.43576 1743.655556 1246.116979 1177.336745 1150.374208 1184.401684 1173.894267 898.8509618 514.939706 1304.200466 708.8139995 626.2618307 700.3613047 891.7649362 472.1547659 941.9915235 978.9944604 950.2381347 331.8024512 729.2767265 662.7228812 704.7512934 937.6739735 428.5015814 737.3911245 1118.409123 382.9149865 460.9513945 1152.868427 1183.082571 863.6667505 940.9889183 1091.014248 571.2084354 724.5663028 798.3058158 398.8074353 629.3116164 612.1605179 733.1815456 0 873.2411057 967.1220251 690.8625314 568.2597122 525.4431874 239.5765368 0 731.7768352 453.3706637 1338.232114 1081.173039 660.6402732 MEHP (Mono-2-ethylhexyl phthalate) 8760.309424 8192.440258 7722.219497 8736.563346 8754.60323 6147.824939 5746.513712 6464.553776 5879.833556 6966.283544 5561.368697 7594.788678 6923.737658 6304.004893 5655.904862 4448.767392 5442.371067 5066.402296 6262.18536 4664.192224 4177.679657 4434.884914 5187.751919 5036.150072 4790.632777 4868.77215 3840.899579 4677.21779 4811.400865 3908.329876 4991.852269 4842.288487 4925.877132 4651.445914 5556.819556 4681.678785 4971.783268 4903.513441 5108.945054 4425.274286 3529.854128 4017.946584 4302.946613 3894.416596 3718.085076 4678.488023 3471.091495 4454.610183 4334.156018 3834.962743 4971.101553 3616.020002 3150.581942 3489.67417 4091.757195 3654.308517 3464.491513 3958.757974 3389.068121 3837.14084 3611.338986 3160.470322 4082.108738 3881.207816 3811.521933 3952.317759 3851.168355 3817.820377 4028.699755 2557.979395 2692.623079 2578.729752 3009.043347 2427.552966 1963.336277 2987.067149 3267.533377 2204.943928 3017.562847 2812.928841 2793.988161 2978.559792 3347.183144 3081.102632 2830.234745 2698.0428 2397.847749 2867.362596 2540.025424 2658.837849 7126.055763 7194.113794 5689.245012 6496.308719 6625.303575 4327.342326 5082.929343 5373.555748 6306.218773 5228.645651 4655.059281 5252.591752 5157.354435 5332.877662 5434.883947 4114.901842 5624.018542 5097.921788 5840.007282 5105.709086 5339.161941 6050.395981 5905.429199 5429.34318 5565.170089 5002.338745 4600.962053 4875.343075 5080.488643 5366.482153 5170.79176 5310.317822 5323.355787 4771.717198 5166.87449 4858.122484 5433.010749 5692.624102 4107.299322 5434.419683 3995.875178 4221.226401 5994.98321 5374.764122 4168.310881 4985.692014 5305.36175 4257.270971 4374.303139 4977.409941 4682.701562 4839.105301 5502.113781 3766.221882 4581.673409 4422.763673 4144.535523 4623.913764 3791.909125 4300.454705 4086.789515 5044.316404 5269.767363 4108.069617 4254.7577 4136.198015 4351.232554 3187.013254 3108.199457 2868.958836 3349.734306 3259.248689 4029.815979 3266.151145 3383.260606 2587.351691 3178.258576 3101.820728 3055.200788 2513.399028 3116.884375 2645.639097 2913.544946 3384.656519 3371.17568 3344.955616 3064.582953 3476.36707 3425.501891 3354.963405 8209.4191 6924.122971 6637.226597 7751.325953 6767.756048 5976.10904 5657.642246 4997.536801 5662.008431 5714.972293 4335.182287 5117.199752 5256.02178 4608.724126 4639.394397 4795.852093 4652.693742 4265.119451 4257.454964 4462.349845 4029.911842 3053.72413 4605.602747 3933.11989 4422.20403 5275.845698 3848.720772 4279.229993 3878.834271 4686.864719 4768.627696 4273.043485 4367.068076 4401.190424 3451.386501 3593.420007 4111.49738 3839.1189 4492.093785 3450.302711 3815.707648 4612.156028 2922.568775 3737.647517 3962.648526 4365.649239 3318.220383 3863.552643 3579.400362 3151.005022 3336.257453 3673.149861 2139.002815 4225.017457 2950.198861 3441.670614 3461.666879 3588.961031 2580.542698 2591.536638 2930.51377 3124.916847 3052.449665 2539.386478 3112.722136 3271.451701 2589.168404 3240.070614 2814.522349 3267.430039 3064.698764 3276.949633 2924.799145 2913.753061 3874.915211 2547.100393 2646.822313 3156.718156 3457.039257 3026.923402 2918.246586 4103.672304 2663.459121 2227.131789 3449.131932 2722.499759 3532.678892 4056.886503 3398.995801 3423.33812 3173.569707 3342.111335 2376.002375 2801.985486 3870.138616 3860.453552 3262.725249 2859.656544 2827.122142 3112.489943 3421.658209 3000.641107 2937.526161 3304.015616 2941.02545 2887.201272 3178.104072 2763.736921 3524.496481 3244.501213 2575.14457 2401.879143 3753.58564 2084.826852 3010.48566 2823.91859 2559.135815 2394.337924 3047.661633 3243.628219 3151.771321 3046.889303 2032.032581 3438.048215 3082.541768 3429.396959 2304.743085 3336.643412 3018.178685 3079.03782 2833.045651 2539.23173 2492.614748 2593.257897 2656.933649 2410.604774 2748.89025 2744.506533 3001.61657 2638.331917 2605.743242 2488.293983 2358.796054 2407.587361 2654.667743 2057.388153 2497.583806 2315.520502 2846.309603 2368.691438 2454.470153 2631.742105 1930.887653 2713.424633 2757.749722 2983.905085 2204.471875 2786.321299 2171.918545 2296.011797 2604.065107 2847.806853 2011.32072 1766.855373 2165.814218 2322.519875 2699.136546 2840.502223 2480.651815 2018.712688 2338.981078 2251.563893 2377.081997 2250.03166 2687.697761 2732.264309 3016.723493 2190.195933 7460.884237 8042.219664 8059.702187 7035.461761 6975.648668 6521.380371 6066.778442 5841.823722 5428.708363 3647.776587 4453.076776 3811.459578 3875.071722 4312.499137 4241.861242 4122.287665 3973.082846 3564.812799 4111.742417 3358.017784 3578.234565 4147.992463 4367.412188 3775.402353 4209.38696 2371.859189 4320.789322 4221.319814 4835.276454 3708.924319 3649.774221 3640.690513 4513.184302 2945.333865 3240.41117 4398.421055 3747.631971 2923.283076 3234.223733 4122.174981 3806.937067 3474.000178 3985.662108 3867.115215 4191.00614 3591.220474 3320.816639 3153.168635 3267.165245 4289.877772 3218.425126 4809.27708 2697.018488 4293.760549 4127.233079 3248.302918 4553.232992 3384.199897 3967.018364 3438.080543 3498.499297 4301.121465 3382.920923 3270.271567 3169.540051 2838.884979 3511.771306 3291.706214 3375.193296 3294.102913 4930.509017 4099.659174 3751.76602 4250.094326 3202.630917 4135.020379 4056.272129 3758.315361 3846.735309 4320.784564 LysoPC(16:0) 38742.70042 34208.45563 33483.92329 32309.5336 31433.56824 27120.90713 24646.88847 23835.51158 20316.10506 20827.48968 18143.97924 18176.7253 16325.17202 16027.01456 13566.11233 12715.12722 14433.5079 14618.49369 14341.63031 12822.67771 10798.29478 12367.06136 9931.371833 9457.956234 10408.54017 8719.167438 11498.22438 9034.975098 9363.451594 8514.931036 7420.091039 7900.938842 9660.690161 8756.017602 6851.897318 6444.745509 6619.502784 6631.164502 6232.5645 6397.359425 6555.461387 6549.664938 6141.243849 5711.93776 5335.048397 6098.653183 4808.135452 5216.919087 5072.469853 5155.18991 4483.100157 4774.710842 3639.695355 4383.414088 4541.12946 5101.993077 4078.677197 3774.562262 3278.991799 4128.868987 3243.82937 3687.17738 3493.28288 3825.096213 3880.718325 3553.830588 3694.295888 3315.727481 3690.139709 3063.584482 2994.498684 3366.151697 3570.207257 3527.698455 2840.899262 3009.247034 3511.637183 2470.662587 4557.272275 3125.194093 2911.043025 3057.329636 2727.41982 2622.558257 2945.753127 3199.826402 3558.723314 3537.833778 3229.285094 2631.890443 4585.034004 4659.8145 4884.495695 3971.147863 2856.23753 4293.78123 2767.57814 3464.550445 3691.046568 3438.990223 4307.517038 3341.351276 2718.367251 2436.282016 2872.041572 2455.759934 2931.307194 2086.792246 2956.137509 2449.615781 2975.406044 3036.788254 2332.154035 2505.003743 2441.192799 2480.665814 1764.263758 2395.984484 1856.074159 1952.86146 2787.186746 1795.624826 2163.685021 1964.279845 1955.096127 1373.839722 1713.741981 1789.412143 1785.571422 1368.422296 1546.196501 1432.24186 2100.598645 1875.933511 2185.295673 1689.074131 1399.584989 1745.704007 1987.145207 1725.429482 1524.451456 1763.561375 1725.759637 1949.445601 1712.658928 1603.332306 1765.232473 933.264201 1774.758411 1010.030413 1504.644126 1144.693009 1714.503385 1846.048361 1809.844955 1457.574227 1089.486194 1652.804364 1268.413875 1014.591216 1555.814329 1414.369543 1418.761745 1930.992037 1771.985814 1124.605431 1457.761475 1978.546321 1362.169846 0 1935.24034 1065.133827 1005.964461 2654.778485 1306.790147 1811.532976 1793.349799 1574.822252 1999.132453 2556.176194 3563.850804 3990.105324 3299.939457 3117.947649 2526.570404 3429.344964 2641.772565 2814.171668 2657.598261 2721.835738 2410.429969 2660.310018 2313.735223 2604.392471 1958.846855 1704.657591 2061.654411 1930.374359 1915.49653 2441.87006 1709.829842 1635.927542 2081.94771 1974.340234 1604.732787 2148.259446 1395.608893 1503.999303 1733.955813 2685.422943 1348.979147 1478.056857 2293.291908 0 1495.528789 1887.490751 1639.560802 1804.254735 1711.931827 1631.328445 1703.876302 1529.616119 1693.366637 1632.88996 2509.005573 0 1558.007429 2141.174107 2201.207812 1762.386911 1542.052662 1309.985017 1712.361832 1391.741566 1454.150556 1465.890056 1183.476756 1362.729552 1476.536965 1213.823272 0 1574.632435 1275.824276 1404.058984 1183.809544 1178.736149 1518.559863 1437.752883 1359.578971 0 1523.98941 1894.402545 2149.790699 1172.928899 1333.555544 1484.111051 1022.657069 1100.990697 1411.003094 942.4660012 1111.067405 833.7240924 1440.107084 1227.759519 1563.988858 1370.537244 2159.676501 2003.632383 1435.943399 1481.170142 1306.538671 1614.892172 1947.58208 1491.350136 870.9285447 1030.761727 1306.073376 1465.956924 1563.436067 1480.896362 1344.655645 1462.54172 1641.301205 989.8941501 1274.98206 948.6423717 2679.146407 781.7984651 1050.427236 1068.420959 1515.364392 1061.777781 798.7742595 2386.87859 1033.204002 1194.883596 1191.18651 740.7245548 263.3753332 980.875862 1206.150802 824.8912268 1350.384311 1073.816365 766.3137292 746.354875 0 495.5259848 1146.245335 1208.160368 1162.710973 892.6859847 787.7783508 730.1808637 1652.500362 958.8574712 523.0819912 476.3495569 901.2518617 691.4089365 0 1052.314159 868.742411 387.1335997 477.7194285 1049.998859 741.1187603 498.729111 1777.563301 332.0929752 1155.266529 291.4248406 584.6575196 601.8106931 534.2592319 1009.218317 299.6366109 788.6513548 730.9587269 1105.899693 1277.623632 581.0314476 684.7407166 609.0484524 815.579869 0 0 0 792.3179159 759.1102367 640.1561559 475.8634256 662.9663944 599.4175634 810.081019 535.4231247 1190.08498 762.4842111 3102.073165 3048.7401 2782.00549 2765.362275 2622.281357 1841.815177 2293.331183 2949.416954 2855.742471 1480.987533 2691.314467 1660.522529 1800.409834 1956.813158 1824.634435 865.4985106 0 1117.283552 1442.368085 1499.457697 1566.225421 928.6615278 1785.498958 699.3877801 1097.665743 1505.325574 1204.541203 1993.340055 820.8000775 918.5669643 1614.763304 891.8174865 1621.347772 1298.31085 1486.92418 900.0387765 1360.083306 1400.839201 1566.97531 1408.306122 850.0033143 870.4732463 1625.241366 1368.597495 1081.433578 1427.070156 1408.866173 619.6758347 1365.376393 1343.280112 975.8582319 1248.351662 874.0920693 1406.770809 1341.017575 1260.604963 1367.882375 1470.525447 1373.311993 5096.107625 1900.686121 1065.42228 1449.873224 1809.953721 0 1007.686494 1651.669573 1044.030596 652.7450999 1361.758419 1087.688844 1612.336469 1257.848537 662.2646398 1107.920728 1283.725836 1225.732779 2438.023968 1890.669254 1626.75951 Laurate 9822.405114 9996.750615 10764.10754 9411.625311 8760.852409 10327.09284 8121.20478 8063.163484 7140.023707 9657.54622 6832.968219 8462.205205 8209.55352 8366.39773 8437.092827 8421.412529 7697.761168 9144.948751 8539.540206 8757.904965 7897.356959 8451.940831 8725.124293 7907.683057 7400.032429 6545.430055 8114.013275 7598.80871 7440.722775 8129.353054 7742.324402 7751.44656 6900.302963 7625.635424 7326.060835 7347.835182 8140.917288 7496.944553 7875.156302 6365.0843 6245.685384 7384.026325 5785.76883 8190.340525 7507.080338 8985.450003 6461.656652 7463.446618 8019.672011 6703.40329 7574.025445 8307.184188 7025.07121 8388.399708 8240.894918 6643.161647 6890.31668 7117.305585 7924.07302 7573.092055 8069.261036 6638.839115 7035.505675 7328.090223 6894.773947 6783.069895 7226.95566 7099.309786 7741.008549 7127.868616 7871.747818 6838.621835 6287.47502 6718.397055 5326.057348 7132.262322 7188.016797 6862.721365 6451.387728 5885.58558 7238.580404 7642.342864 7282.321418 8725.467322 6940.449584 5699.439908 6382.224591 4205.767573 5272.976119 5820.075359 9497.24948 8169.930561 8674.247031 9697.676361 7670.466073 7799.413484 8288.722945 8894.206281 9385.690585 7323.093175 9193.053775 9351.640993 9782.111472 9299.091893 8732.406938 8098.903233 8155.210924 8430.825023 9126.398593 8544.82737 9039.936045 7724.016052 5513.326219 8685.485966 7329.211879 9322.143584 8595.76199 8451.250552 8862.881516 8430.698632 9740.095867 8352.356389 6672.687747 7157.280961 8083.406916 9253.187776 7732.971133 8955.392866 7982.716201 9235.722352 8551.828193 8812.409993 8511.350024 8278.801608 8620.391152 8378.268722 8869.427323 8725.597559 7577.017368 7391.404538 7455.397404 8242.799557 7997.663871 8052.587385 7548.011494 7140.122227 8238.315968 7460.112001 7071.073692 6204.304722 7666.925057 6434.521881 7515.330409 8467.800656 6896.414767 7583.109958 7888.064588 7249.404744 7783.042135 6999.981913 6977.195179 7921.123619 8191.005992 8485.664479 8021.877205 8302.574815 6925.12225 6286.362982 7899.338345 7851.544841 7878.238697 8532.601368 6875.754343 6796.068902 7927.87357 7095.069706 7011.44628 8380.638103 7436.596028 8776.01276 10606.55104 9480.942864 10269.43199 11172.17589 10265.96059 11406.37703 9538.036654 8247.308014 10190.26161 9733.350056 9823.517355 9155.725475 9608.99173 9072.226922 9655.790327 9389.037979 9649.453887 8773.268088 8648.34283 9151.486169 7331.958051 7867.228536 9725.710644 8592.318411 8480.550252 7888.782305 8273.107821 8491.789254 8144.07523 8449.591376 7715.290215 8689.62256 9544.586711 8071.204537 9269.315113 8076.499081 8808.538853 9150.222692 9260.385413 8403.808225 8972.207839 9780.461623 9128.421033 8142.938704 9288.818956 8466.4476 8438.951423 8729.728348 8835.418558 7352.345588 7897.639675 8808.346299 9129.769708 7375.076162 8209.284055 9246.274811 8711.963179 7764.153937 9014.380138 6783.758389 7569.540409 7166.638981 8642.051752 6799.0805 8135.262814 8157.476134 8107.750922 8103.401972 8071.888656 8863.322895 7993.480683 8808.161386 9268.966748 8376.792431 8039.942729 9215.570678 8416.85579 7829.854235 7868.415603 8451.695376 7347.775901 9262.86787 8400.289052 8726.60601 8955.94892 9578.225849 7630.539767 7887.71955 8230.321131 5305.061619 4421.528481 4232.930342 4032.598296 3789.03452 5018.907454 4512.212433 4535.988973 4523.002576 4703.401328 5367.169248 5463.869642 5299.582483 5168.392814 5121.726706 4810.5087 6032.261975 5014.548757 5446.009685 4922.673745 4698.680895 5180.080159 5946.983677 5014.768488 4771.419443 5191.990539 4485.249364 4981.403098 4028.484413 4432.491569 4238.790298 5405.013587 5964.921062 4217.01545 5359.497153 5184.429322 5071.445468 5018.523116 5702.62306 5070.149734 3827.059276 4781.28486 5382.374779 4296.4085 4231.137151 5299.012653 5225.404795 5544.181037 4551.196823 4598.072637 4897.882897 4293.396687 4106.047013 4306.7473 4728.318897 4884.710114 4355.603575 4490.901091 5017.469684 4138.167608 4389.275829 4665.173799 3911.619727 3884.136041 3667.592932 4272.891525 4225.176624 4850.214327 3893.659273 3967.754289 4739.426451 4732.527119 4030.543277 4809.730736 4090.764678 4492.367638 3894.545698 4208.466276 4423.632123 4480.297259 4407.759447 4047.024674 4105.780783 5035.305273 4233.211356 4192.621642 3391.37264 4551.422124 4652.082094 7984.190089 9193.207545 9095.901684 7495.921235 7025.029122 8143.170084 7883.842876 8068.041734 6966.276052 6525.327198 7810.289378 6878.479685 7463.286941 7674.098262 6814.892281 7621.71104 6121.050857 7426.535366 6318.040507 6275.107031 5572.605927 6959.838567 6690.103194 6141.368528 7522.569146 8345.178695 6210.861928 6398.341386 6742.116118 5844.37579 7207.109158 5992.524265 6111.11038 6945.089131 6612.255483 5942.221696 5999.608969 6201.735151 7308.82618 5333.769698 5336.190639 6173.027947 6646.063803 6499.92953 6405.245499 6384.617707 6248.518105 6979.708683 5939.835412 7982.344271 5722.234417 5158.334128 6110.33519 6339.464167 5113.629536 6970.235964 6501.61498 7588.114681 7056.496025 7105.735215 6372.936838 8138.065814 6355.978194 7952.605557 6313.120972 7178.402297 7352.443705 5999.003937 6473.211032 7157.406726 7385.582386 6831.870588 6548.327938 7405.541216 6627.092491 5950.896088 6099.727491 6183.028008 8094.587569 8224.543489 LysoPC(18:0) 11068.59661 10129.77483 9350.298554 9227.974701 11092.47604 10053.8305 9551.87994 9651.287672 8435.366764 9113.970498 7794.052004 7861.55546 8914.375965 7664.855234 8127.233136 8477.416438 7698.388448 7084.709312 8463.880622 7950.30469 7442.21811 7944.888361 6818.384747 6987.797674 7756.262348 7290.349841 6821.374908 6378.73349 6568.410953 6486.248586 6694.485189 6675.566158 7085.666756 6813.93746 5732.825337 6884.147103 5754.192713 6149.577873 5225.800811 5975.885301 5338.618446 5791.109557 4527.163426 5309.141314 4953.57066 4855.460236 5170.159212 4648.066273 3906.079299 5091.869662 4600.198483 5112.819688 4728.884072 4751.901237 4627.321773 5006.714052 5059.669252 4766.759777 3948.230583 4300.381887 4079.587246 3848.40703 4168.063504 3506.639103 3560.844983 3552.068793 3168.692447 4346.249504 3579.141164 4076.363784 3939.032863 3645.036162 4029.801042 3918.376791 3757.954417 3554.156923 3745.038676 4342.131991 4112.340908 3579.321809 3411.833269 3808.642099 3336.918328 3908.070364 3243.970365 3302.56694 4140.625305 3354.262528 3352.905299 3367.242852 3703.329642 3648.646333 3602.699164 4209.73757 3317.164369 3713.053691 3326.40417 3904.663735 2967.166219 3112.34835 3841.708099 3726.711297 3174.073996 3501.002411 3331.225014 2913.189098 2917.958528 2986.407706 3001.651121 4171.781475 3098.510021 3302.41871 3245.927989 4032.930578 2629.570511 3394.594123 3349.433054 2567.384136 3448.567177 3072.298397 2870.261619 3034.650197 2344.906356 2398.903493 2398.487935 3440.684492 3201.520333 2557.393244 2997.231274 2684.576855 2828.807579 2404.983409 2205.665338 1971.945078 2081.523203 2643.189117 2547.584597 2772.231942 2915.200526 2404.566255 2398.075085 2898.313189 2527.010415 2742.249798 2541.336192 1905.508058 1879.705784 2509.400399 2168.780928 2431.562748 2406.943068 2130.341063 2112.196575 2321.465732 2091.7084 2483.443585 2292.964316 1809.223276 2097.757087 1823.367425 2429.872249 2407.296742 1936.071347 1499.960799 2048.934827 1706.322315 1808.062375 2704.439654 2660.452106 2316.773425 1911.510334 2148.107376 1803.474912 2471.817121 2188.765016 1973.6585 2281.731073 2307.843312 2727.9087 2422.960813 2830.237046 2165.228476 2134.891065 2841.422024 3294.928643 2080.987005 2347.636669 1750.381804 2428.126694 1739.318771 2274.944204 2184.563315 2992.479501 1884.788254 2303.108682 1947.650173 2631.366411 1932.439567 1600.122688 2178.975453 1976.305045 1678.945092 1545.221907 1514.167839 1925.924765 1944.189096 1564.923215 1594.086915 1504.836649 1934.358361 2070.373722 1372.552353 2097.747212 1863.50415 1658.118962 1857.07456 1563.960696 1346.338628 834.3090942 1627.477915 1728.200898 2112.087933 1745.283379 1690.626643 1982.461913 1507.759023 2131.003622 1623.336874 2701.065562 1323.42869 1813.370365 1451.625713 990.7995966 1927.092566 1498.027557 1776.72797 1134.735723 1274.467505 1574.050581 1374.292797 1428.444989 1787.778133 1764.186648 1471.62416 1655.310209 1371.397474 1778.176146 1713.24785 1686.328914 1696.874266 1423.622072 1309.644386 1515.64623 1256.395387 1164.155798 1283.93275 1342.525306 1445.179595 1178.52571 1240.3953 1966.131588 1076.585515 722.3056301 1131.127638 740.0274645 1589.803501 1901.776651 1957.603816 2009.644088 1175.440847 981.1458127 736.6409948 1139.720104 1445.876458 1014.778052 810.8043021 1135.874777 1299.230026 1317.577155 1848.338604 1223.182545 1525.187846 574.5375623 1047.829738 1480.22084 1149.329263 1227.437959 1385.447439 780.7515123 0 1107.100309 1323.582931 1226.029459 2307.935636 746.6458151 931.0046468 540.9549406 954.7413918 681.3306008 1051.533719 1168.532899 790.2714205 874.8669006 1073.901285 719.7944746 1161.456904 1392.359118 713.4584097 1377.536071 918.6659323 862.2746473 1322.903564 892.0131255 1356.088721 1212.458894 996.3612461 673.59003 790.4748041 667.3599692 1195.9697 571.8697089 626.8617558 979.2281304 1302.124079 627.4588122 1219.453738 681.427258 802.2177377 948.9472485 624.2067154 1048.259505 610.1715306 626.5109318 582.6277433 709.7706453 868.9885797 903.8552971 444.8555046 850.3973808 439.4804119 894.9030613 953.8205194 687.0606045 341.9391712 563.1231878 386.7202704 473.3613954 1237.181747 625.8473027 1563.460978 448.9131504 919.6799829 1249.330446 732.1636477 456.8280158 0 1109.172264 887.3042815 1150.217327 1790.882475 1046.465155 1434.868752 1343.815902 1476.770421 910.4830142 1341.425985 1116.170271 1319.563128 1629.700816 1060.071532 914.9735268 807.4158203 1175.573898 1248.679466 7164.831633 1043.102297 1090.53158 1461.64621 1339.423804 753.6080689 1048.399335 735.7897379 1288.112739 834.9321249 1096.511902 979.7381876 1226.119338 1025.470397 1192.841212 1183.307079 891.1577552 873.0635307 913.501959 1385.550665 544.3167591 1251.052543 572.6054371 1565.613966 1201.320165 897.5540404 855.0265096 1038.288979 1064.553708 827.9408378 1095.940031 1168.601792 411.6749383 652.5743936 1187.827877 1034.932233 676.0108702 653.741332 703.3866335 703.7418244 1209.165312 1488.551446 1513.520857 2824.91221 1322.214401 921.7956331 1062.522502 1178.290288 1110.285692 936.1900525 741.4968875 758.9680432 870.711423 668.7833241 0 984.7605297 1027.091893 858.7355647 855.3171742 1613.750563 767.3177646 1103.879694 986.8410253 1371.29797 Myristate 13779.20886 12552.35075 13705.22313 13831.83646 12688.05481 14226.31074 12230.74094 11933.30693 10455.29587 11677.63888 13849.23537 23104.7075 17875.11104 21842.77579 17252.19664 18479.32119 19975.04249 17975.03305 22905.0814 18510.7181 18195.47047 13457.70899 26511.66392 30145.57279 24502.8474 19945.77927 19023.11934 18929.18222 21821.92816 18245.23487 17255.40836 20261.66139 11929.21768 11927.59671 31893.26894 26000.30999 17936.87922 20093.38925 19481.62986 17249.60609 19669.94049 16628.8465 23366.0246 15776.87874 12571.96822 23591.72686 27722.03336 20062.03181 17283.175 18638.81412 19297.00219 18472.12485 18530.05343 23223.84071 17633.72499 10674.23573 12113.8838 29908.77448 23081.59174 20034.41157 18003.40201 17167.47717 17283.78473 18163.81795 15028.67939 17973.43003 16297.36349 10770.47462 26701.73615 20426.93968 17230.10057 13792.85108 18009.00421 18922.247 16589.86263 15713.6404 22125.15424 14995.23222 9960.205443 11876.90411 30455.17201 22618.19845 15936.66602 19496.25167 15456.58766 11878.97293 9842.573637 8994.162414 8306.870416 9359.166215 13290.88479 12474.05702 12472.72317 12625.10951 15168.19659 13409.36331 13277.3246 13453.50235 14170.37751 15197.68662 17858.06926 12474.57906 15430.50167 15809.57697 12680.9411 12701.11087 15959.59319 12571.98966 14349.97041 13090.78134 15550.94961 11917.48895 14171.13856 13111.67205 14062.4461 14785.3052 14877.17692 13642.457 13942.05652 12532.62258 15364.00513 16210.98939 12079.13564 12859.27786 14470.12595 15375.57093 13312.14503 11925.80475 13797.83783 16069.24052 15605.13813 13022.97012 14604.68289 12269.57089 14101.50006 16563.87373 15768.13394 14404.38937 13870.01129 15729.3341 14978.95532 15655.24529 15686.94584 14231.33445 15750.92806 12540.71667 12054.32998 13417.00594 14085.51092 11877.49829 15978.79335 12489.18806 13112.72675 17442.11651 14592.23824 12655.15817 13091.49175 13004.65359 14388.1639 14205.58869 13925.68172 13795.06137 11345.16822 14902.81727 13599.32835 13039.75969 12175.29847 11942.45218 13894.22584 14276.032 12576.11388 13793.76153 12155.52479 12624.81702 15057.09733 13083.99263 10407.8364 11386.88924 14102.01701 11355.96753 15244.70235 15130.32105 15167.0656 18231.58145 16504.07277 17176.04038 13644.95267 16362.06356 14502.92909 16787.25415 15582.78753 15266.72376 16976.75482 16308.58496 16719.20804 15898.72649 17955.6006 14356.93702 16269.21703 13467.40614 14675.18515 16202.02948 15513.41025 15026.59645 14891.75771 14623.98709 11850.26135 13951.12895 16922.7342 15756.99541 12124.9486 14244.41825 14641.16536 13122.35502 15383.30525 14365.13286 13528.8626 15950.66678 18337.14671 13929.32562 15157.99894 17140.19086 16781.04891 12320.97573 13289.52533 14591.63844 11935.49518 13523.83865 16816.15668 15486.28517 14862.29368 16351.48505 16194.00577 15321.9207 13520.17984 13673.28395 17371.45066 15085.31651 13766.07813 14121.57201 15628.14149 14726.29498 15607.0556 14249.77968 13993.96499 15216.55266 14938.03822 12992.43556 13966.43222 16713.5681 14041.08829 13367.68058 14431.63951 11856.65431 14445.80691 16111.4714 15077.60359 16894.05626 14600.25393 11501.5113 14920.29717 17496.0069 16092.66805 13099.1229 11805.76162 13775.25514 13886.55518 13555.03467 12591.05295 5895.410887 5965.560041 7024.772472 7517.730528 6691.652049 5761.50052 6033.195887 5835.427626 7653.450828 7823.646045 8405.909155 6764.78217 7288.393592 7043.327023 7611.653341 8225.059007 7722.466967 10922.26294 9183.704167 7884.216637 6580.52992 6441.076521 6444.11908 6915.438781 8371.151587 7510.526847 5865.515813 7192.521691 6513.005903 8007.068603 6758.017086 6450.459547 7341.389262 5403.953448 8294.398094 7571.187969 7086.027913 7356.63447 7334.177693 7679.860791 6410.364112 6772.589517 7337.232204 8379.484226 6977.363529 6403.273882 6662.24246 7408.365275 7702.4782 8068.031604 5335.469603 6530.435687 6288.487067 7283.687769 7098.410127 6534.51027 5524.734014 6793.541735 7537.224676 7055.915058 7579.7894 7165.241119 7430.080042 7014.139887 4947.014526 5445.556016 6220.879721 6525.016878 6721.979817 6206.12162 6278.391157 6560.508312 5464.093674 6520.055594 6360.206005 6390.620966 5579.840899 5814.236712 4792.141105 6059.408436 6298.922352 7119.694891 7685.96568 7242.848523 5066.493179 5454.650868 5440.959284 6762.735891 5956.274847 10952.44322 8896.796533 9928.83494 9421.505316 10544.65231 11111.93798 11196.00968 9852.064181 7920.622626 8363.27893 9545.573905 10558.42137 10720.41055 12474.62596 9370.513177 10554.69256 10593.74078 10568.25101 11736.45506 9758.769498 11233.4854 10328.73921 11620.64604 9183.840684 8906.751975 10026.60338 7606.837921 9164.697846 11631.43402 9676.59147 10525.4179 11105.80879 10597.63067 10472.5826 11113.62079 9748.360614 10678.88857 11230.77779 10177.23056 9073.699163 9050.772498 10241.90884 9890.793365 10826.49731 7984.973206 11029.57906 10339.99428 10901.65226 10196.00449 8265.845352 10056.60601 8839.606478 10129.63201 10455.12148 9788.080832 9132.692401 8282.958042 10943.28807 8364.177466 9632.886989 9037.050871 9331.595104 10400.27632 10546.4023 8739.740955 10933.24886 9416.284797 8888.363444 7719.003621 9674.30115 8485.951455 10719.82404 10238.71286 10122.26489 11528.64075 7366.995675 8821.683773 9607.920729 8470.789969 10431.42225 Oleamide 106823.0584 98124.1572 98695.60562 95999.69819 95525.28318 96166.74752 92262.05019 88115.11728 89365.9909 92929.69924 88437.47683 94471.99444 92015.72622 85861.75738 82799.58055 85107.66709 85949.13688 90016.41442 91449.6767 86459.99404 87466.03337 87300.84518 88276.92857 89772.80754 86274.96984 85844.69043 85441.92051 77945.76987 86020.9282 82930.82587 83874.36388 78580.1203 76299.25096 86311.57083 73482.49898 73194.28207 76152.4215 78732.85742 73522.59023 72061.82709 79075.82927 80434.31507 82432.35438 76690.86885 77212.62629 81323.15811 77000.75977 74646.6596 84111.43444 90932.76028 83367.11528 79203.1264 79598.21882 72061.52651 70564.91877 80181.08464 72847.74077 70933.9588 71083.59475 70364.03274 70554.40391 67749.6856 74878.57012 61370.95099 68577.64671 64251.5502 67748.11249 65641.43845 66552.64066 61867.05573 66755.63345 60663.47056 67513.00786 68850.84246 65177.20637 65686.19395 75145.86362 67015.80414 76360.03421 72741.8759 66582.20049 76518.19483 69784.10089 73319.90193 64178.53363 74317.12593 74732.15095 63173.06411 68567.77037 68715.13445 100248.8651 97575.93408 99640.3254 100931.7349 97846.1631 98611.9045 98334.70258 98354.84352 94066.32981 98085.5004 90906.57855 92834.26291 91358.56853 89726.98951 86015.06308 89752.99922 88612.38062 87268.55635 89911.05951 87326.93441 87674.63703 90668.98772 91365.08778 84694.13403 85256.3113 86228.25326 89915.69362 84802.49559 92446.06881 87068.02528 86812.28635 91849.76394 92737.23385 92036.59746 85420.441 83331.01858 82396.81123 82700.61866 79851.59017 85042.71343 85942.29523 80262.24486 81792.8504 81631.56797 82072.86294 82237.93684 82710.18205 78930.7273 81147.56137 85857.37373 83131.04114 82180.10941 78321.53236 71359.77737 71696.30192 83628.35785 75061.72115 72779.09063 73777.77267 73804.21141 100322.6431 71146.48842 71453.23113 70475.56973 68444.93441 76403.42593 71875.9951 73984.55801 72614.18669 76905.17755 76135.0968 70659.90218 74315.86707 68116.07289 75887.32636 77078.45011 73551.42211 74207.72368 82028.67963 76582.74693 77227.46612 66975.13985 70123.09108 77863.39388 78137.16204 80628.1492 84805.55557 100725.3087 94539.7812 99159.57818 110797.5669 107264.3912 104499.7668 106440.7265 105645.9929 107121.5533 97653.71188 103108.479 101983.3125 100258.9757 99422.82459 100826.236 99388.46591 95076.27231 93662.92219 88927.06911 91487.73061 92343.38406 90892.39876 91453.56402 85336.08811 94966.4043 86888.96467 84552.55032 87351.13585 88120.06597 84576.34578 89285.91123 85624.58258 86328.68353 86308.50699 84887.89457 90882.31843 90235.21854 88496.79226 87336.943 85430.6422 84585.63306 90543.12293 85211.93883 84563.32253 87935.14975 84407.44505 82546.51555 94335.04372 90213.57124 82965.76852 80599.54723 81847.44274 83898.87939 86888.70614 82030.38064 80963.24206 78134.58353 82417.78014 90201.71657 82867.13007 85078.64804 81751.49257 77267.25904 78731.16325 75271.17147 73918.44352 73203.49457 77807.82186 82311.12544 78124.31346 87197.52379 76208.20582 83370.71811 83420.92951 76695.03427 86996.50641 78894.40629 76425.02509 79135.84275 84134.49576 79318.98673 87953.18084 83119.85314 74692.29627 74939.93365 72737.11414 77921.38788 82204.22986 84432.46073 98730.59129 101533.688 104110.1348 63235.94815 67516.6965 70577.29242 67156.06769 62129.22609 65963.71762 66844.35869 67412.44065 65409.17326 67387.63796 69956.95618 65642.51805 65666.65989 61619.00412 63173.00136 64386.05189 65358.06468 62182.39467 67073.59922 66278.52993 64160.16915 67943.34732 61165.9067 66654.64103 64941.27717 65205.31692 60999.03168 62444.47345 61218.79002 65231.34982 61895.91642 61827.56738 66579.70878 63170.89756 57428.70785 58265.3983 58113.1403 59381.72117 57996.27473 56345.99828 61203.39143 62212.16565 60983.42685 61175.38485 64469.88347 61519.37964 57508.77661 53642.0576 57684.01478 53470.65188 60448.44789 54676.50746 51830.78592 52928.41802 54095.86398 57737.45567 52107.70371 55890.75195 60350.81824 54089.38495 55782.62899 52749.26366 51237.86281 49530.92289 46645.26351 46955.64063 49387.12053 53872.19815 44954.47623 51090.80303 48598.6735 47062.4594 44409.46816 48249.60683 49049.9777 46483.48727 42052.91694 45568.89659 55825.5899 53735.84667 51787.04656 46445.30899 49601.36428 53743.24064 58722.34682 60824.56074 68324.69092 71337.46325 73251.03029 86922.10668 88504.21881 89471.27278 88013.14965 83946.17766 84869.4692 85779.48322 85386.21336 83009.88384 75972.23528 87144.01271 78642.52871 83093.23446 77544.5329 72319.49608 73350.95618 76059.99386 75961.74341 77270.41254 68064.80813 77612.12546 81921.01288 72639.96525 73085.90541 70728.15953 70670.54915 68752.38549 71313.17032 68155.80436 70346.44201 68423.14656 73033.59184 80982.64493 74522.58407 67569.1152 70524.43353 68184.92654 68946.75955 66939.19795 73054.08853 73102.60974 68979.49847 72607.57496 72893.09309 70456.26853 68674.77014 65397.94503 68414.19237 67089.41388 72841.212 71807.93355 63068.44183 70718.62218 67338.17543 70347.68819 80881.64572 71214.93485 70404.76767 70285.41606 71359.33442 75193.56759 74191.39354 64174.94857 61382.25885 64948.27437 69293.16342 68274.80205 69015.54699 60270.24927 66499.7846 69439.6978 61816.04457 62593.37883 60592.48642 63638.87751 72311.94585 72269.10866 95320.34714 92629.16777 92834.57357 Eicosapentaenoate 6895.992979 5387.617456 6375.049162 7745.4777 7630.951358 7858.769695 7274.552219 7373.056782 6901.079877 6809.26172 7910.589941 6032.234433 6419.959503 7517.138715 5923.272268 6759.247313 5264.841103 5850.380472 6784.097046 6575.577282 6256.555421 6563.754743 6249.600521 4943.261164 6472.596478 6011.846212 7431.874179 5560.702249 5303.730101 4667.048466 7450.793609 4192.631037 6233.484433 6661.404036 5680.23955 4702.650036 5513.496199 5864.525838 5436.671418 4610.695607 4759.118318 5674.179266 5612.402375 4553.35125 5099.760648 4331.945607 5623.413234 5048.548669 4776.771837 6600.389713 4769.646789 5833.213481 4406.867349 5304.480186 6207.218465 5367.400612 6059.28946 5742.428011 5774.426272 3921.557261 4288.660256 5497.785468 5449.410912 4523.061747 5724.742551 4566.882914 4731.973867 4101.228521 3840.92861 4430.32029 4465.382114 4272.471527 4360.028701 4764.574871 4653.86507 4282.987054 4190.750649 5372.541123 5449.50955 4255.809309 4189.504332 4622.811752 5662.666503 5453.711927 5659.168604 5030.178963 4355.198005 4015.475004 4236.6914 3747.792363 6281.939728 5915.281959 5609.438929 6089.707397 5722.492571 5166.930618 6022.668021 6212.813271 6455.876994 6252.307235 5952.321254 5047.438954 4037.335237 3393.52803 4491.939252 4801.199223 3389.393947 4711.136391 4944.573053 4612.865344 4756.574305 4426.550404 3294.01411 5188.561894 4684.568734 4395.326253 4640.014426 3813.811219 9725.292859 4590.87148 4422.497539 4640.068329 5381.76717 4754.029182 5306.190292 4664.418472 4930.859536 4725.136748 3669.379067 4213.597543 4780.659757 4729.321748 5191.870987 4351.202151 5112.076476 4765.692702 3692.902088 4037.786479 3646.564857 3774.837088 4213.914968 5100.341523 4231.21327 4718.026354 3680.815758 5177.573659 3790.352545 3864.307836 4553.372634 3542.453644 4620.765935 4614.336066 4068.020119 4474.565077 3300.868951 3886.869652 4155.617259 5185.568688 4370.623788 4632.085587 4483.178053 3497.052782 4292.959361 4365.064164 3745.364619 3355.835021 3362.545108 4028.049529 4009.099438 3327.609702 4513.488796 4622.252315 3944.569072 4113.639825 17777.5119 4658.142606 4802.199232 4541.462602 4719.22764 3350.902024 5177.561372 4948.982508 4386.153026 4864.890164 4319.291984 5356.46072 4636.356186 4530.607407 5002.977125 4247.530475 4145.660088 4369.04302 4560.393002 4451.458799 3959.475836 4657.961075 5268.341537 2890.84345 4118.38233 3672.3823 3971.835968 4440.720072 3787.024593 3225.151559 3702.185228 3967.936678 3327.877282 4038.839815 3832.589658 3538.34785 3238.577443 5091.431458 4062.427753 4556.859758 3289.447982 4226.792107 4112.905303 3631.931588 4068.443691 4421.978791 3641.901911 3733.73257 3515.658306 4143.145779 4253.488567 4178.651172 3938.23875 3920.482568 3434.244623 3136.868909 3543.505357 3210.28617 3715.149357 3748.938251 3015.207608 4983.208204 3857.573288 3247.079456 4121.055322 3194.372139 3747.198511 3034.6688 3239.82309 2111.342172 3783.281574 3732.020032 3907.320675 3705.739654 3605.361706 2987.867107 3510.416787 3525.530432 3513.097725 2572.722394 3264.213732 3870.654133 3336.200241 3215.539862 3303.497495 3570.002948 4080.206952 3340.5409 4038.117613 3735.930526 3721.462538 4419.286358 2600.006531 4111.813306 3642.393206 1727.624788 2413.933679 1694.44757 2427.290958 1964.246138 1698.619427 2674.217346 1744.50651 2750.379866 2981.879965 3014.078274 2710.9776 2023.762382 3282.908527 2712.891544 2034.277383 2776.005509 3204.982164 2448.822797 1957.601841 2210.524891 1367.077274 1770.629955 2190.010357 2531.288818 2477.304101 2203.917628 1891.770949 2966.085521 2024.215561 2189.683561 2125.258542 2631.213062 2945.509622 2037.208441 2118.012201 2202.619923 1837.212582 1953.690047 2156.468249 1802.109796 2673.120192 1843.552026 2156.011534 2717.918019 1683.748785 1998.841317 2066.537935 1718.665126 1953.529635 1934.350035 2123.403589 2426.662861 2325.283771 1566.37763 2286.937309 1298.474603 2094.624989 1713.625596 1955.647157 1420.039181 1873.96006 1884.329849 2257.274272 2007.384338 1920.158994 1974.713024 2265.802929 1926.543283 1806.724114 1965.124736 1894.596079 1744.476007 1967.870234 1497.367841 1952.641867 1408.417447 1483.197347 2101.529984 1903.236341 1877.555357 1434.027404 1900.933244 2282.395097 2435.327026 2421.853111 1933.72359 2677.569955 1836.019795 2519.041216 3343.729466 3389.807091 3399.192811 3344.085407 2943.187994 2691.287254 3262.95953 2805.006027 2597.431802 2887.471841 2880.451201 2963.18625 2648.662697 2514.024757 1829.392446 2397.482383 2660.70689 1855.293734 2077.519017 2520.401789 2360.275069 3025.347006 2260.645502 2930.577247 2423.2576 2712.431024 2313.566512 2134.224364 2327.629128 2765.967499 2323.211778 2795.558951 2998.609086 2422.564209 2795.004524 2807.482463 2445.298778 1798.119779 2333.349673 2532.398029 2242.757814 2598.519101 2338.007274 3321.964975 2389.350733 2519.929631 1694.904042 2052.370192 2565.036512 2469.48864 2112.36726 2590.713784 2643.504401 2010.282925 2495.276904 2413.885412 2322.3733 2629.92459 2437.664663 2906.54497 2852.506873 2476.371441 2789.450478 1974.943907 2659.511331 8067.678687 2137.776029 3363.423407 2858.59684 1393.188231 2347.148647 2594.566252 2080.674111 3001.343317 2573.809514 2510.937083 2204.331188 2591.020574 2533.288815 Palmitoleic acid 18036.07557 17680.308 21373.50234 30096.43933 21931.26738 24016.30803 25200.36729 18805.92369 20372.33048 22144.50066 20259.18086 17855.25254 15842.78816 21430.57746 19135.77804 21252.74371 20217.04529 18682.13758 18669.62567 19474.14539 18534.02421 23188.30389 18318.87354 15841.38177 17275.3207 18257.3689 22333.19419 19447.76878 19801.13459 17205.23591 27764.13158 18117.14287 21319.5993 22138.47107 21694.70825 20394.21295 17820.57282 19009.70735 17221.88131 24435.85897 19966.82076 15122.30818 28635.178 20180.99472 17931.08817 29320.54393 23800.07056 20847.60376 19748.63724 24256.82421 21356.95904 19703.09806 20423.70363 21850.70312 17080.40261 17175.29992 20850.77815 21363.74024 17905.22251 22984.50987 17163.75787 18370.54198 20388.48835 16913.96814 12092.77703 16093.11377 20957.61408 24877.72489 18451.25726 19989.87989 17645.05712 16979.86245 18707.45869 20371.64984 15459.51087 18629.24666 15430.05614 17863.7422 17785.02641 20819.63588 23084.23813 16715.04721 20064.5194 16762.52353 12946.27321 19931.395 18265.80954 9962.964986 16402.06432 18533.70025 18551.79526 19735.41462 24853.67762 22520.3224 23803.93632 26720.33133 24500.07577 21095.66834 17183.8318 57199.98637 53317.78298 17458.92767 17980.85393 22233.89617 21931.97897 17929.61678 17560.38571 17996.87128 18988.85524 18945.4557 18693.21844 20862.16274 19948.04824 21947.75553 17696.04329 16920.77503 19202.949 19761.07956 19184.80747 19463.10304 20855.38459 22680.92242 23196.91959 23931.02533 18102.27531 22019.25603 21116.99365 22668.64129 16549.572 18207.98593 24679.2216 23996.09994 20282.46667 18861.33404 26030.06718 18087.14534 18812.51116 18001.29841 21396.82479 19042.56521 22216.02442 19456.88259 16774.0356 19459.43196 19123.11615 22963.45214 21038.50479 15439.1578 16677.78975 21260.78304 14437.57179 21951.75791 20476.70683 23925.16094 20310.01506 21122.57315 18653.01414 22584.37966 17035.62599 20145.91907 23717.93979 16998.42662 20751.84597 17784.05274 18326.7577 19687.69089 23485.42911 18592.82034 22016.66738 22953.78077 21293.25367 17394.47727 21237.84912 18015.91252 14971.73109 22318.43508 18791.28527 23621.87368 15930.99841 20500.36868 31147.94675 24607.2313 22675.91845 34164.15862 28284.6877 28753.49023 28283.03279 24482.21682 28987.4607 29190.87325 28125.40283 22664.67452 25008.75767 18299.92426 20379.15215 23454.50335 21335.13966 22189.87182 21150.93105 24061.54194 20145.24408 26825.75809 22610.18636 23145.30056 24700.93654 22223.38447 22474.57821 21369.88132 23795.90485 18673.54674 20629.24969 19764.14568 22209.0241 26525.00216 19617.37773 23100.71882 23634.43548 20118.6601 22483.63166 20476.81106 16830.91423 19125.90778 21489.67997 24707.16966 26647.22193 21744.24124 20739.71077 20283.45756 24306.42959 24388.42915 21010.7413 18885.67835 19278.12517 19676.43082 20864.41123 24625.9093 93070.9566 17700.21252 21255.04596 18064.22859 16182.52299 23230.49317 21176.51074 21053.08108 19121.0469 19442.10017 21098.89883 24105.38477 20456.66635 20756.75733 21006.20124 17256.12551 18897.41748 20318.65066 23420.36731 21103.91891 21150.56285 25843.4548 26262.18789 29456.22455 22542.91355 20899.00996 18873.70301 18192.15939 21695.01166 23078.54335 19303.2777 24296.71266 24490.07463 9463.819417 10129.1854 10565.9886 13038.64869 11669.60323 11775.51042 11132.04011 10217.89294 11012.11998 13891.07463 17690.00189 10951.56592 10757.72034 9511.813877 10341.52277 10846.06817 12116.62699 33140.65228 9022.998745 9754.606869 10683.2986 11328.18464 10327.02371 10321.61423 8238.735207 10723.27029 10121.24053 8918.118522 11054.0327 13210.37176 9803.330282 10111.39159 10196.17543 10895.94412 9329.995034 8362.093733 9512.319983 7850.163993 9093.43699 10267.87071 12936.99855 12739.24439 12071.02593 6749.768093 12314.83804 9989.862537 9936.437453 8600.74797 10338.94982 10504.93773 8112.472554 10417.72302 5782.997425 11041.93743 8086.130248 9989.340593 11510.08166 8008.293411 8254.964413 10221.35632 8903.272818 10158.63919 7869.72145 7027.989676 9243.802546 9959.977223 9352.576565 10648.06874 7659.186198 7905.975159 8341.097919 8343.911892 9818.764441 7971.598551 9360.115272 9174.414847 9044.857604 9634.452402 9305.016881 8821.296454 11049.13889 8833.492364 9503.27908 9749.713325 12594.53127 10014.20451 7338.103432 11410.2574 8939.716324 17108.78596 13186.13384 14848.67815 15638.90251 13735.53747 14688.48224 11754.64945 15090.96957 15318.67923 13482.90195 14036.86186 12918.34572 13062.237 13350.36784 12825.77782 10980.54663 13249.41079 13772.2652 14004.24733 11790.79179 13718.70022 13982.21874 17070.44185 10052.11336 12750.79245 12055.46468 11901.40753 10680.61321 15312.13117 12592.34794 11105.79055 13069.68456 14607.27469 13585.19823 10947.06481 12778.13803 12196.97269 11937.46512 13087.0391 12292.28928 10519.83468 11594.13323 10557.62226 10709.72942 13052.89525 13260.50569 13135.24062 8977.81055 12374.30306 12699.35711 10397.53813 13635.78942 11260.89138 11424.81394 11639.75005 16942.41376 15107.96741 15606.27842 14582.71102 12122.59068 11044.51864 12834.27457 9308.851793 14668.59482 8267.894491 13877.33594 12658.85968 13020.42481 11603.31642 14431.51124 12668.79711 11349.55657 12157.78903 10657.63921 15097.76102 16021.28028 14067.34184 9844.972054 12538.43645 12937.8848 Linoleate 13847.85 12943.12516 13831.56566 11885.5761 13395.84512 11599.26476 11585.93164 11610.68737 14334.34048 12011.8001 13852.79959 12427.14285 11403.47593 12188.27476 10752.83043 11384.56113 11396.35497 12088.94747 11775.59066 11200.66391 11314.1619 11657.82198 10780.83335 10821.85067 12028.89724 11577.26425 11692.92142 11108.95208 11328.12741 9538.926309 11533.4997 10229.05609 10395.69257 14209.7216 10137.63151 11207.61125 9754.327493 10985.11226 11604.02546 11689.67138 10024.95904 9722.36595 9825.77918 10230.91415 13745.53711 13552.137 10094.95258 10201.19026 11049.50927 12411.3759 10990.06458 12723.03187 9388.318401 11872.67314 10295.15204 11536.00444 10920.01614 10888.37195 11746.83382 10284.01693 10594.06452 10614.95639 10190.03587 10427.07043 10573.62282 9756.234562 10117.72261 10263.47313 9576.444807 8851.626623 9975.71655 7758.139652 9363.960855 9604.118813 8799.211055 9928.606836 10727.86898 9343.792831 9568.102289 10491.10193 10582.25078 10743.30679 9540.116473 9545.633661 7321.609192 10299.06983 10752.5634 8928.417703 9248.532366 9357.656219 11802.14627 12014.23053 10470.00832 11741.12509 11695.99526 11522.48463 14031.49583 12048.96731 12764.33587 15920.52422 15209.83711 10643.22031 10717.37862 9783.870527 13339.84646 11408.21027 11092.4913 9783.488346 11915.16532 11934.85366 10954.63977 11740.26172 10639.50575 11567.54155 10218.29509 9725.979548 9528.613471 9356.811595 10639.57945 11536.9499 10524.62106 11064.32082 12487.48915 11024.32167 10025.48345 10766.55116 9553.633041 10145.28812 8510.182942 10426.89338 9837.039598 9940.322136 9118.51194 9778.260893 11322.32983 10597.99542 10334.66959 12198.97944 9824.562351 10309.08642 9891.221096 10486.48985 10833.09634 12024.67039 11203.21064 12528.8583 12303.76199 11830.14362 11349.5995 10576.16317 11213.06717 11482.25187 9227.543318 10935.39371 9857.285626 10596.13485 9299.058475 11328.80067 11373.36937 10592.61952 11248.43293 9631.245781 10267.14152 9732.729735 10834.79082 9673.208001 11068.56719 10001.3988 11023.48449 10888.71904 9568.714043 8761.14302 10082.01894 10143.75982 10340.17158 10092.54687 9128.341401 11875.68115 8843.144948 11529.01162 13307.39535 13234.82393 12140.54472 11128.64476 12192.52353 8876.438845 13102.29421 12819.87688 13918.41843 14013.46974 14199.17632 10774.6335 10650.91561 10313.83741 13489.08147 12062.75567 12392.07138 12851.66346 11641.66799 11970.87371 10514.75483 12005.10771 11375.46413 11504.9036 11718.17942 10818.14839 11860.9851 9485.344023 10532.94048 11260.64017 10764.36296 11286.71317 12435.70686 12035.35841 10017.09494 10599.65832 10065.88084 9135.194196 11237.55359 10855.29612 10909.34864 11158.77506 10933.31683 10581.87109 12356.52156 11397.23553 10625.51268 10444.49773 12452.58468 11150.15032 10671.08686 10835.71183 12159.01973 10244.15568 11698.29711 15407.36255 22962.17415 10326.81983 11457.37511 11887.4133 10080.46734 10425.23885 10458.44748 10387.36425 11029.26994 11048.769 11258.97987 11534.06403 11561.46427 11317.40356 12284.537 11291.94011 11339.6334 11304.09122 11639.35898 12109.09949 11005.31367 11398.76485 13087.3654 11617.85175 10680.16508 10604.56268 8939.520634 10965.73693 10287.2448 13238.51747 12581.05395 12354.04953 11325.05409 5039.992567 5372.349381 5402.562713 6297.763128 5702.116018 5430.247421 6164.906776 6145.491487 6253.318613 6379.047952 7312.94411 5136.139801 4628.727434 5622.930898 4206.976728 4946.606672 4251.541907 19022.39418 5417.900925 3999.580916 4785.710031 6006.846419 6034.163311 4728.074854 6268.838978 5322.657641 4893.243329 5063.277433 4423.030014 5283.08835 4977.427937 4550.994318 4674.279192 5478.299647 4257.839468 5001.251209 5034.560379 4273.032578 4596.694145 5272.251467 4498.233663 4837.295036 4968.688692 4157.026294 4719.218025 5285.586903 4757.951792 5128.422028 4806.131567 4448.021376 3584.782652 4463.33996 3032.753006 4861.884304 4148.09812 5831.912074 4914.632301 4855.638146 5006.653472 5264.851361 4754.648435 5323.521095 5305.708479 5356.850081 4035.682272 5520.525891 4228.068892 4401.86936 4298.16971 4151.745638 4242.732504 4355.742247 4215.374223 4573.308315 4911.002108 4066.28472 4996.593459 4469.537035 5409.943751 4431.635818 4847.854558 4176.539006 4328.906513 4584.58563 4840.784395 4908.518284 5023.086125 4737.2529 4426.140844 7003.687822 6706.40359 6751.861124 7275.74838 7219.033655 7223.626272 7292.419709 7164.135393 8257.614842 6994.747379 7425.465048 5855.54101 5276.241188 5466.828278 5335.053446 4756.297274 21843.01704 6143.853956 5452.210404 4962.285241 5894.449601 7425.429465 6429.690754 5580.788554 5459.320101 5270.379281 6016.716761 6444.521048 5325.681862 5357.420549 6016.195716 6376.996356 6772.279058 6734.551777 4786.321376 5643.95919 5417.012627 5572.241933 7144.183278 5282.813714 6172.390486 5288.795548 6522.667785 5669.46907 6633.34384 6066.542206 5193.378877 6531.09225 5833.750948 5257.881559 5211.753005 4236.743176 5454.763967 5018.172506 5987.334482 6117.641179 6631.799001 6088.69982 5906.269172 6710.415696 6450.525382 6007.463457 5446.269069 5734.396144 5550.308287 5663.716227 6346.843703 6412.698996 5768.309796 6319.541533 6726.897494 5074.590811 5497.334286 6136.67271 5281.992371 6603.111131 6984.355418 5547.851175 6823.285315 5902.976491 Arachidonic Acid 6399.88717 5702.573802 5526.000061 5478.655364 5621.413571 5959.566581 5674.04071 4961.161692 4713.698613 4711.762298 5120.712366 5323.941665 5263.610964 6221.663587 4986.107062 5013.653792 5654.710347 6443.376771 5548.175873 5693.40231 4160.058771 5511.983887 5618.360254 6299.887675 4715.431497 4796.572285 4855.483131 4971.392669 4604.106978 5796.136938 5270.725554 6324.691116 4809.935937 5250.934665 5236.697974 5429.638278 4614.394281 5086.50246 4843.25995 5496.257969 4568.508834 4607.17514 4440.893647 4943.648659 5170.395214 5303.893254 5454.011724 5080.692745 4336.132579 5794.514202 4126.772196 5896.260621 4231.314997 5167.662153 4822.29715 4390.047321 3674.457767 5262.402224 5592.983908 4612.325572 4376.14346 5132.681995 4205.216535 4150.849231 4491.824921 4268.329808 3550.265364 3828.191816 4818.071549 5345.717487 4266.94555 3661.908943 4410.553918 4134.140712 3333.23196 5229.252807 5497.916312 5201.724881 5542.634878 4115.465451 4920.336204 4762.471627 3962.753063 3803.588729 4392.607469 3784.509747 4468.895081 3780.692053 3978.80914 4151.332842 5996.577163 5955.539825 7250.208815 6128.458059 4907.370234 5525.169627 6082.68374 5949.007126 5918.467641 5877.878248 5870.529789 4885.736932 5133.10106 5733.679573 6133.175005 5147.624059 5966.12594 5958.851585 4763.059294 5188.029098 4721.228665 4914.101546 5319.253964 6285.071697 5330.496334 4884.558585 4975.044353 5545.373554 5694.533228 5445.5193 4899.823307 5751.403632 5660.566295 5086.28944 5549.343212 4923.519288 4701.272224 4645.10794 4959.68494 5116.465853 5492.887444 5282.182409 5482.556708 4795.075499 5607.598201 5480.843149 7005.507538 5920.92152 4750.823746 5051.953279 4782.175784 5486.439232 4433.950997 5604.43863 4985.757868 5203.395918 5808.711781 4957.573808 5897.679364 4127.382855 5114.67295 5580.426601 5806.66935 5545.665963 4420.312452 5271.365648 5592.471732 5785.206895 5329.378989 5988.382041 5472.405172 4862.044264 6043.846795 4904.873605 6659.060311 5155.239745 5400.420848 4943.076647 6150.401694 4887.865903 4776.867417 4896.965916 5073.719179 5977.897078 6613.39491 5381.263055 6114.258644 4975.668045 5625.502859 6636.95163 7182.999357 8076.0359 6420.092107 8280.32156 7275.843025 6901.539891 6504.932875 7242.533841 7215.394305 6306.271333 6152.03894 5998.04058 6616.498682 7230.224573 6678.52135 6571.616366 8745.958553 7237.587348 7146.948053 6641.316964 5394.74681 6309.724769 6114.758862 6401.498171 3677.89121 5765.705565 5960.86677 6006.517149 5190.839913 5911.39193 5602.676658 5696.625284 7060.262959 6631.353087 5605.449716 6089.080585 7074.324074 6582.370801 6806.411737 5940.819233 5722.118351 6498.626856 6651.980743 6587.986869 7365.470417 6058.208566 6426.274297 5716.855182 6448.464677 6172.239409 6435.902578 5983.213101 5876.616945 5960.362596 5893.139821 7086.958212 6473.312287 5168.467019 5811.387754 5875.485229 6038.711799 5267.761577 6141.477921 6695.981077 5861.784271 6104.016608 6525.142342 6644.641342 6627.380583 7298.221955 6857.295144 7017.618269 7127.91332 7369.648757 6449.689161 6969.160278 6224.678566 4865.341922 6538.299285 6954.318527 6462.776101 6553.088252 6323.486477 6424.981877 6004.576451 7619.671292 7102.937776 7535.650503 7058.418236 4215.582239 4502.971651 5027.396532 4864.434968 4033.157548 3722.751375 4773.766904 4741.40703 4519.498074 4197.633451 4809.343919 4144.429678 3886.130167 4118.541714 4324.208338 4233.685145 3937.467025 6318.030541 4312.334726 4140.725844 4645.386869 4959.151257 4884.65535 4910.85838 4172.663514 4523.104858 4375.128348 4714.623408 3969.219714 3937.32325 4328.210374 4049.730954 4193.869886 3971.256374 3617.953874 4780.240533 5150.488075 4026.259476 4564.430301 3877.503725 3289.690032 4198.278871 4437.33401 4280.39367 4162.868422 3840.114482 5028.028889 3417.036647 4021.636385 4263.194894 3807.217843 4400.251625 3785.05127 4282.481439 4437.694504 4153.494326 3619.700592 3369.067159 3798.59692 3670.057491 3821.61019 3669.208452 3468.53894 4187.12336 4571.032369 3993.788623 3502.435397 3297.789822 3025.309657 3423.98213 3396.977392 4512.268728 3918.212574 3767.220475 3238.051813 4346.401223 3412.243901 3360.956429 3404.08419 4116.333806 4085.539557 4427.68631 4332.593205 3917.973098 4315.05638 4180.185264 3939.690723 5145.409875 4793.220699 5958.371034 6415.605491 6737.99975 7549.793189 6125.702851 6586.256553 6458.753487 7425.461269 6271.731285 6040.905487 6953.390454 6258.358956 5040.261077 6112.955223 6335.45357 6469.779794 32936.08458 5929.111541 5137.990308 5555.02686 6220.63724 6090.088308 7186.781651 5861.791393 6041.717241 5925.733681 6069.929491 6160.046179 6436.788248 5921.83858 5687.343087 6555.399626 6028.230364 5488.964176 5336.093259 5924.48051 6147.050286 6365.043398 5337.264933 6266.714829 6705.342467 5974.434898 6616.869881 6722.359226 6061.376459 5550.269623 6222.088077 5317.064166 6050.928953 6577.843555 5767.541396 6293.307585 6589.556546 6397.482868 5648.687312 6131.496027 7362.174112 7316.283077 6216.049357 10692.27054 5448.627775 5525.968252 5949.795577 7389.637412 6131.52329 6403.938716 6704.670852 5626.098619 6570.561117 6231.644973 6865.364146 6115.025415 5711.396157 6411.610526 5465.450171 6630.588038 6719.55907 6849.732809 6652.879309 6934.111483 Palmitate 158387.4171 151075.9279 160999.3092 234623.2933 261249.0267 247893.1596 229565.9702 206857.8897 206081.2694 281294.4985 250886.3587 282279.8445 207994.994 205831.3652 156942.7097 157333.7422 135743.2901 162083.5293 177439.219 211337.348 238395.6628 225158.7421 209526.5939 391780.4127 220609.044 174356.2382 161001.1862 130092.2446 186524.5225 158873.988 188617.2918 199226.179 191888.9985 237307.6584 232703.8596 249907.1276 130532.1727 139923.5935 229001.3558 137212.4191 239002.2637 179075.4348 191691.5611 130987.369 186998.074 204068.8363 241505.2316 158938.1429 119213.6753 132429.407 221444.3481 143459.447 136566.5129 294992.5086 139295.0745 194004.2266 229195.5424 327668.7864 354575.9772 153051.6494 192237.2543 240649.6312 169254.5913 188392.6317 138621.316 197820.4493 124186.6012 169703.2575 257107.2762 237044.2171 126716.2602 107016.3853 193797.1216 137826.4203 173531.6084 171909.8704 206317.2856 138307.0245 198516.1173 205743.5478 346446.7086 208132.7979 206691.517 169443.9989 170056.5354 186244.8319 186821.4587 87191.03161 94671.12483 86783.95965 135236.5357 127874.8658 137673.3738 158192.8763 167103.4114 149798.0693 282717.5245 273291.562 276480.0019 306549.2861 286827.3994 149810.5232 202492.3847 148366.2886 152319.7569 159719.6206 245410.033 199107.3268 297130.9685 164695.8272 154429.5376 209608.9866 199251.6971 177073.9215 190695.2183 233609.9973 163107.2589 175648.5611 227011.2593 205452.7969 268941.3609 219742.0444 254104.3956 218643.1515 175880.0346 274914.8963 162572.9721 227779.2308 167448.8095 226897.648 189398.9769 189818.1706 221394.1335 176983.3508 282050.542 177901.5809 254335.7344 302920.1798 126344.0265 145090.6124 170509.3104 225821.3011 165595.1808 235126.0517 222285.2202 236615.7486 247307.6434 227574.0809 187982.8847 126285.0698 188548.5493 170917.0946 120620.0677 150989.0936 211694.9289 160584.9664 167811.08 213224.1169 126170.5199 154468.602 208904.4739 151168.5789 157676.3916 175470.649 182395.4108 149228.7721 172070.7978 155970.3683 233497.231 203472.2555 156792.9819 194023.9539 140790.4834 123269.0752 153281.6732 216434.4958 246824.1259 117123.871 122665.0911 127383.418 166886.1767 165141.6878 164902.6646 251110.1984 263688.4735 272861.0521 314215.6562 334020.7782 347061.8776 318940.6623 317503.6583 241960.0238 208234.284 194416.2805 364168.4665 176908.8103 145498.2538 168651.624 196855.0318 204275.4104 186987.8896 233798.2924 224906.2115 231561.2215 213893.5828 209292.7948 182062.7734 179075.9845 167255.0848 171497.3946 155448.4321 236980.4117 288058.8394 239263.6436 160864.6947 201873.0814 193656.2356 179213.3291 212267.3476 185276.3863 167394.3896 181848.1017 226807.8169 206421.3207 273983.9003 156566.7456 188531.3386 181608.2884 207184.9545 179668.6673 148834.6694 168744.2189 184188.4673 189625.2519 143745.9064 311612.2779 279741.5974 205027.2137 189278.8063 207813.7591 187391.9421 204018.4979 146025.6809 151418.9522 154108.6507 196977.6729 189521.1644 207820.5858 200641.1285 230893.188 172980.6549 166176.7526 168619.4744 166243.3142 160445.6177 151518.689 157981.6 189666.6882 293415.0607 165939.0768 189717.8561 187052.6284 172875.6904 135545.0915 168817.7083 300629.4801 149105.2337 154996.4331 134606.7817 64807.38796 69715.94862 64427.58637 157810.544 148121.7546 150409.2719 183712.0906 183736.6171 181572.0319 167716.9699 169916.0337 117032.9012 106070.3526 125090.8446 93859.58098 169635.8585 86772.77715 143484.1478 134172.6874 104331.6113 87295.4492 200602.7183 195509.1032 116747.1881 187430.7242 85503.20313 107203.1491 101133.5834 114933.634 123370.0855 97000.76072 99891.66983 179096.0248 194063.3588 113459.7935 76277.3345 104877.0954 98350.5291 108185.1793 115643.9502 98565.15406 119823.9983 97954.98457 75045.18875 144726.755 113898.8007 82457.99497 118692.7343 93880.08426 117930.1574 61204.99212 92499.84587 85602.42513 87233.7173 85656.96492 167122.8779 111342.0514 80369.47433 91701.88403 100275.9563 103783.2929 93903.66951 186919.0981 97267.52355 64276.55689 83039.18243 79491.10421 147614.3242 75682.86354 77035.87321 80372.25205 91429.70291 93281.98539 79757.61869 67367.73828 64406.00694 61564.59612 71015.85459 157158.4983 117512.005 96355.24822 69939.9192 71830.37113 87483.74366 121564.7947 169415.2941 69011.14844 68841.47808 74317.2563 113670.6674 105614.0243 104255.2366 146831.7374 137248.5316 146990.7466 150445.757 146897.3661 152785.6394 217045.1691 244437.2815 155264.4555 135262.8486 126099.1083 80540.24213 141503.2623 118803.6881 150332.6175 105797.9657 102901.885 113099.1586 118430.3822 120842.5038 93811.06925 170423.7208 105288.0564 127991.5101 75637.72389 103589.3277 127685.0941 126335.0963 134662.7155 129768.8991 156400.022 120742.29 94473.52869 142504.9116 117450.2555 181512.1799 83723.01769 125839.0092 97360.12565 90180.97308 169877.6761 162237.0645 93320.99622 117248.3622 102276.8681 111731.8665 113331.0866 105664.7425 91406.00281 124839.3039 119298.0875 117917.9159 124094.2085 145446.1549 88562.08273 113623.8887 138352.858 108119.5646 138413.0231 139296.1436 126721.0781 130630.142 136585.1618 125626.3895 123620.4691 137854.8397 89643.31112 154660.1831 101805.1227 106792.8976 138054.73 111422.8301 134175.1005 126423.7269 85148.56139 82209.59784 87380.74127 Cholesterol Sulfate 39842.7959 32392.72754 39115.02305 28636.93197 34334.96303 34787.71585 47465.68257 37960.57026 42929.87292 51792.63011 49403.25865 81023.91268 34658.5379 32376.0158 25574.29779 46201.63321 30451.50026 29471.70773 32901.15231 40816.71474 26429.12404 37753.63094 29334.75863 32174.93756 30955.48319 29017.87231 31423.1936 30577.45574 27535.74444 33920.7821 29871.06477 35044.32303 42050.67293 50824.23399 26039.33464 26055.08447 27964.43778 45138.20585 29364.76166 31114.09875 27765.14533 26080.17808 24542.03596 24617.07232 52506.2005 56975.40094 30684.50378 26514.46425 23961.66799 36291.98416 28422.92918 71467.30455 31193.45293 28030.07765 24836.63816 37976.00784 39231.1712 33596.46223 46675.7132 26904.56857 27732.24838 25166.56802 39299.02359 28683.92972 24821.79311 29915.62581 32675.83771 50805.94025 29554.06741 23832.89339 25225.51455 27826.82745 90852.30945 18697.10038 26898.17142 23879.20711 24296.10709 25560.71426 32217.43948 43260.04544 40806.57311 26706.55401 26064.97223 27685.4558 34408.92977 43710.51918 35338.2707 21133.48755 19284.67267 24776.59142 32610.89535 34006.45379 31133.83061 31440.73141 31975.94197 32281.6328 36647.44289 42369.20618 44454.31649 77700.94573 69947.78258 42512.07893 31348.81453 28520.40335 32199.69131 36029.32345 25077.22474 26710.78668 35921.45421 40290.83896 25590.23254 49019.34816 32451.80918 26152.87327 28059.58285 27050.58435 29157.44911 29560.9006 46427.13346 23172.93176 31123.2732 32852.58728 41917.52287 43089.5468 32187.47113 30315.58462 27362.57644 31759.69363 29098.57357 23428.35068 25699.50407 33858.62833 30250.70041 25312.88115 47787.76393 33421.10232 28902.63778 23476.35178 25684.20744 25806.01243 56330.93436 30931.29924 32595.2938 40125.08767 27872.15874 33981.22339 44005.83983 46953.13782 37564.0457 28353.07625 26577.92215 26138.80038 26452.86014 55433.518 26663.71407 28284.78492 29284.04397 44540.59586 22041.87119 29239.46854 33961.47182 27348.65089 20466.22025 27711.67168 103020.2701 35174.6336 43344.19923 31053.14223 32285.31312 50119.96088 27732.33992 22691.96651 22861.16889 96407.56004 31304.00211 40823.79199 36896.11797 32296.20643 31648.70838 31674.02982 55412.17797 53909.50322 51567.42452 34693.30984 35217.81899 27633.36226 40677.9623 39526.27874 41567.2744 46525.55897 46703.19974 34945.83162 34573.70153 37221.54423 38387.83859 33839.98963 29066.19211 73618.58772 38832.6091 33158.58527 28392.07772 48347.35985 41549.33212 47710.93186 30752.23862 30786.07542 32999.19196 32232.88265 31105.18364 23842.0833 49854.91764 28717.08991 39724.72793 36566.74934 22609.44345 31066.89506 39086.27149 26110.50053 33275.13554 30255.68026 26531.57952 28297.56273 26354.52731 27041.45727 49381.74659 33372.34219 30655.55714 28059.46834 28098.04149 29837.54871 26865.67869 70155.19239 33551.62885 44409.73057 31960.5091 37802.04214 61013.66252 30663.97372 108010.5228 33389.74545 26813.92501 26990.22798 36146.98949 28161.26542 32226.41997 26517.12401 30712.39122 46683.2033 28432.79418 34830.0804 27636.50451 39016.17433 29284.39391 30622.39757 25045.26193 29290.47517 29927.80651 32978.90658 37417.42332 41465.32542 31407.5637 29652.68013 24758.38507 39551.56051 37437.9925 37920.6625 50260.65821 48766.99396 47442.06988 17537.82754 20310.94087 18302.94269 19892.29059 17303.68877 15764.14047 21752.06464 21059.8963 17160.0212 34834.03861 28373.3084 18603.10477 24891.0705 19861.01554 16431.10011 16987.59138 41471.81783 617915.6834 26331.50508 23151.59103 22748.74226 27710.49242 17352.6662 21140.65972 66274.71326 18272.87747 17419.05433 17108.00213 16972.98081 15790.29228 49781.86369 28425.33606 25576.71645 32344.2561 21167.1043 17227.20865 17395.71876 44211.51247 17920.01885 89750.53714 17274.30662 18910.35182 21147.51907 17768.87957 27017.99595 54889.46853 16982.20267 15468.14872 21233.72475 32945.018 18195.86936 21111.15359 24265.36767 77043.82169 19490.43574 21302.01658 29008.25685 23529.99277 21543.80038 90259.2689 50639.5033 24224.48442 20720.82241 28632.74443 15030.49742 95043.93254 94823.00298 28932.50752 20235.46739 116764.5845 17742.47629 21133.10947 17378.7315 38309.63337 20479.79677 13737.0517 19058.25778 14027.60344 22703.37179 28256.0406 42980.02965 33446.99725 17560.57941 72796.80925 27793.75643 21283.35388 15369.83923 16808.47612 16796.32812 17301.42038 24155.82243 20301.18699 26775.61583 23228.12943 16789.22762 51738.73724 46722.89507 45074.62225 34859.91663 31923.92768 16430.54493 30620.43983 21594.63947 45845.13839 19981.16851 2683862.674 24371.58081 17302.96005 95414.81656 20209.03633 32891.56742 74450.54608 21146.08853 33113.83427 24557.96086 22146.05981 34443.44882 22747.36712 19435.56077 91258.81541 27795.23888 44386.42843 43687.90881 24805.06962 24432.02382 44831.70363 29287.41361 24589.0163 28547.37134 20412.75192 17754.4258 46209.04536 30613.50825 35068.44378 19508.42707 159169.2924 25164.13753 55887.09282 20984.87778 62076.22802 22960.19177 80989.21692 24275.00762 53327.10721 50596.85763 32293.81968 39920.62283 23786.39896 54186.30493 117641.8828 21081.24999 22270.40985 78260.20228 24653.80646 67892.12179 19774.81871 30209.33169 17421.12835 25705.96936 17498.35832 17879.82241 22677.06501 23405.38679 17068.64586 30230.71424 45561.03796 23627.84038 20662.44379 19715.92313 Oleate / Elaidate / Petroselinate 98748.62626 83770.1259 74887.52457 86789.37137 92345.58212 85916.86825 85894.37415 92680.87487 76631.36721 87987.31417 93679.71349 73706.13545 88642.4258 78551.06442 85277.24351 66959.50023 67895.80744 84950.96749 78025.00001 72702.04511 82573.64762 89275.1372 69087.48361 93751.93129 69613.744 79576.3216 74017.2872 72604.17107 70498.19109 65873.89802 68915.32268 63181.93411 82597.31127 82022.61491 79424.5371 69486.46877 49686.43713 64693.09081 74765.42263 68711.63543 62921.56541 60603.98516 77993.89874 62001.21254 89316.43045 96237.99802 78363.84262 76842.90021 76190.23335 85950.93277 90319.39313 80678.531 83313.88205 83727.92677 73090.69213 77427.67137 86206.875 69032.65239 80054.96239 78757.0189 74717.46526 71734.77902 64874.33601 66099.99794 81901.85387 75763.50834 72134.85398 69606.03377 56884.42036 58525.06293 55586.48889 59865.35457 58788.52054 55222.93845 73207.14475 68273.08438 69469.20128 60057.89386 85132.73296 76564.17638 81304.56771 66337.22511 72140.68366 58297.68038 69563.0971 79178.26089 74443.48956 52153.15815 58785.79116 64451.82686 77993.87741 84073.21898 76401.92335 83026.16853 95210.28265 93277.81975 100441.8457 100210.3366 99162.83074 123564.3657 127250.3376 76826.10986 84489.34973 78067.90408 77858.38727 79872.15738 86236.73426 81290.39559 80413.16981 86592.47069 89952.54137 77697.18439 88016.62327 79431.17493 76986.87236 81004.76095 68663.41252 74507.92596 77785.05541 79127.84641 81189.67996 74165.41907 92392.54866 76912.38152 72277.37694 86018.93445 71841.96877 75136.06223 67013.02247 71270.87912 65445.68092 72374.45292 86180.21622 74045.74501 101122.1396 64411.03532 81789.34381 91677.73132 64744.09351 60859.36022 81880.26696 70174.921 72229.60149 75727.61396 73537.79604 85276.16837 87722.82604 76604.71572 74145.68594 62891.03494 67049.74758 61411.7769 61225.38254 74964.54524 73942.58902 69052.27665 65680.25849 77579.50561 62794.27876 61050.98088 81202.59257 64835.93713 59572.54319 70550.31841 66925.26847 68320.12227 75110.33787 70477.16933 92267.88073 83981.99109 71379.05154 68121.79138 73437.99407 75693.32985 75135.72273 77459.52703 84423.97744 70090.361 62729.78765 71359.85633 87803.56197 93640.21555 80430.44274 100977.9301 93542.35418 107875.7761 110493.4946 110461.9841 107588.5582 104252.3782 106140.4309 76596.42688 77466.47466 79583.40059 95312.49296 90633.45407 79697.97297 71869.99313 81470.57082 85715.20899 78923.20477 98524.81795 86217.98686 86619.24544 80847.44447 68136.77675 76119.41222 72978.79446 81884.25874 74467.0347 70035.35535 75187.2203 93398.16626 92234.66592 73703.54475 76108.74014 83018.26919 73368.36951 89299.80142 74441.26257 78900.73356 86810.72041 87803.38152 83279.12802 102980.7799 77618.60658 76141.4846 76700.0402 81299.75924 74153.89227 75134.30253 70290.89354 74880.89558 82942.82601 85201.56958 112695.8054 171992.1502 78688.22485 83284.96393 82671.96643 81753.09491 77517.47812 72011.01578 74142.66472 72215.38106 80699.55633 70760.53045 82729.2135 79901.1844 85710.49344 81651.0262 69383.98966 82420.50172 85563.81729 74151.34396 78678.50091 71386.85345 69409.90074 91342.87422 76763.18822 71177.6114 72278.28209 76890.10145 68923.63508 82514.85993 105281.4802 78001.20197 78047.78485 82739.49733 28207.87179 34519.39913 37504.44391 42904.09384 46577.39694 43572.32657 51543.80836 49809.38018 52601.82389 54136.49973 55102.79402 35805.86904 39976.11906 33277.34572 32392.91652 47258.45034 39647.3805 99543.57448 36022.03412 41729.15044 33280.75558 47023.01112 45664.70774 41902.66414 54157.35034 35373.1271 38266.65824 32030.55106 44509.96121 35064.64025 34215.05712 33869.63767 49160.60428 53533.29031 34785.26854 30051.02055 31120.0768 33722.75693 35150.48654 38615.14255 37749.26705 35767.74915 31588.7507 31226.32807 43177.21951 45529.83953 36631.4252 31965.17877 32869.13053 32217.6779 25596.93334 45082.83048 30259.1609 37187.93781 33839.76117 49309.53957 44902.42696 32616.38006 31501.20963 38096.59008 31360.12236 37320.80953 39414.61626 31746.38617 30245.35195 36968.97894 45686.7421 44827.61989 32449.79934 29199.24727 31765.07993 32124.22998 31895.99568 30203.52234 34461.32026 30025.34339 41850.4113 41962.57548 42117.82089 35379.68959 30670.3617 39524.01874 32022.39166 32341.21571 38895.27229 46787.0034 33899.2941 38127.52742 31902.0451 51940.36358 40933.79392 51781.45935 52135.07714 49785.07534 49612.17877 50570.31863 53662.95064 51916.87069 57409.19887 67751.87558 45056.9988 52853.38233 43786.99125 43575.10064 41996.25828 63581.05809 45815.76165 35182.72383 36979.79499 38682.68579 48896.12521 48282.29088 44841.561 50233.47665 45688.16591 47406.39534 38857.9548 38571.54692 36971.59333 40548.2486 40680.24388 45302.69495 48310.53779 42536.69225 44177.2363 43486.41302 43661.81204 45612.09039 38131.23992 40855.72569 38482.97552 42314.89142 43398.73915 48029.91992 38683.27463 37472.87886 36395.91435 40500.71539 38047.70008 37594.01761 39661.82575 40398.74059 39250.23411 39711.34062 47806.3388 44722.10351 42400.4781 40549.83885 45521.05505 42774.30597 46761.97416 40335.90643 43010.25801 34581.5128 44688.88866 37511.33449 37979.04137 43472.51564 39467.93946 46723.77968 40571.14181 35526.58155 41830.65363 44323.4865 43677.8381 44944.74031 46967.77677 43394.35408 40991.65761 Heptadecanoate / Hexadecanol 4411.550171 3936.799096 4066.847051 5325.485199 4518.606571 5522.59185 5543.797425 4852.326571 3883.486766 5019.768129 6850.454513 6827.405937 4388.89877 4033.844371 4870.542216 4598.912613 3534.247171 2789.458603 4162.782589 4218.057688 3874.722612 8450.710914 3824.734263 4862.012222 3389.520903 3374.437699 3342.661502 5397.507181 3858.435127 2344.638997 4789.997016 3450.800925 7187.420385 4965.765012 6784.404762 2848.925177 4557.437527 4716.044179 4259.582852 3515.844366 4045.280732 4600.399988 2928.600355 2038.599406 5208.860572 2982.283076 5189.702823 3847.782795 3426.990488 4486.500161 4754.110268 2509.963372 3063.536307 7185.634782 5112.579725 4480.185056 5412.119026 3259.084418 4288.556877 4423.355064 5089.188194 5381.638332 2921.967407 3384.506554 3897.99217 2550.197997 2975.195988 5787.093292 2878.246096 4009.952729 4295.790718 2609.530861 4294.375131 2674.373144 4333.418298 3439.094151 2842.390394 4935.038875 4141.516027 3468.164006 4162.057815 3137.683683 3548.073277 2912.169281 3159.93064 4505.171554 6762.360804 1540.79686 2088.035562 2559.783405 3305.150954 3476.124873 2866.107153 6281.550477 4040.606351 4373.402669 5345.874459 5151.560776 3920.577932 7748.125855 6328.439971 3187.182681 4311.709205 3795.564938 6065.089042 3248.825263 4333.517224 2592.77196 6441.767599 4753.497391 4736.792876 5186.104788 3796.66524 3232.294153 3619.424039 2828.905707 4515.779002 3419.160298 3429.599451 3951.351365 3929.166627 4132.364809 5054.874988 4024.335518 4285.360262 2626.002206 3618.510755 5716.007494 2393.965499 5436.591407 4103.93902 3442.49012 4506.534339 1814.222985 5077.549733 4741.936551 3568.418014 3999.688631 2865.723207 4519.33311 5096.225052 3517.501316 3781.584849 3219.175632 4881.169752 4966.694905 3875.755215 3694.876758 5081.562867 3789.06467 4523.191729 6029.01209 3819.769061 4009.602403 4844.440539 3794.022792 3638.136089 4398.753059 2190.626545 3008.790077 4506.526133 4594.038269 5207.348246 4970.791021 3854.478325 3181.102483 3779.118241 4470.282407 4078.893197 6338.399971 3369.615218 3869.533574 3856.966122 4915.485428 3254.900328 5933.754873 5648.133968 3214.466168 4548.510059 3982.217887 3204.080161 3742.846887 4146.353793 4196.88334 4530.498898 6463.223137 4193.296899 7669.507955 6313.823705 5407.74232 6752.274582 4593.471095 5028.307278 3473.125009 5858.031922 3264.790997 4458.171326 2727.437046 2765.376728 5352.703522 4981.862944 6146.292122 2695.223165 4482.015128 5143.180511 4154.109274 2995.183808 3520.685833 3029.730147 5126.550971 3434.777515 3792.692314 6252.136975 4085.78167 3771.940817 4858.097302 3401.774681 3819.018887 3029.156977 4809.437096 3701.907467 4474.716878 3268.300352 4111.799241 5372.798588 2980.86597 3562.050115 3843.006415 4336.395005 4653.011525 3517.632997 6595.363438 5663.868128 5158.891169 3237.228655 5263.716738 9014.126536 5580.108528 4852.820744 4704.351135 5276.39036 3298.790313 3868.469081 3480.109475 4816.501366 4260.023961 4733.052056 6055.746556 6447.942079 3784.423296 4627.588965 3546.081619 2910.459407 4009.618592 4249.244776 6237.519379 2939.945748 5089.940041 5253.371645 8280.338713 5459.174487 4760.680575 5192.224813 4278.981143 5177.812523 5166.97344 3654.621448 3909.935962 5253.573165 2768.385694 3428.001419 3083.468225 3545.53051 2605.462229 4173.823509 3140.633689 3540.634051 3326.043464 4080.910442 2936.093648 2871.843436 3460.531528 1516.566197 3145.950503 3845.019523 4417.796049 4346.739938 3491.939247 2631.630577 2165.903078 3310.841303 3149.795404 3817.348506 3869.109971 2636.29467 2246.516086 2707.709362 2403.252774 2491.801962 3130.711591 2100.789937 4303.805807 3990.524544 2235.898352 1795.739889 2437.330351 3310.070989 2434.220742 2545.62038 2917.170727 3099.775776 4476.642981 2569.048434 4080.180007 1980.728821 3034.786426 2402.978367 1872.303851 2980.023248 1580.233618 2603.634999 2570.024449 3733.248413 2444.827214 4936.942668 4119.112387 1932.22988 2107.263809 1801.98427 2064.670892 3477.698238 3346.33956 2193.991602 2080.690983 2827.84854 2429.403214 4359.867596 2921.258867 2358.391998 1907.72332 2647.96846 4051.014804 3820.321917 2631.40052 2244.148197 1610.262011 2426.088545 4289.93125 2213.522856 2918.195854 2965.579871 3109.72901 2241.385404 3100.806186 3193.450064 1683.223858 3278.684997 2281.348076 2273.112693 3194.240807 2852.718474 3681.756911 4211.998994 3872.924389 2493.46428 4746.859135 2535.821614 3896.516092 4892.68844 2534.420735 4729.951794 2471.789224 3915.767736 2350.916393 3792.621809 3365.912846 3285.673436 2401.157309 2795.774234 2443.275275 4685.979219 1811.375912 5201.114026 4116.046573 3497.263189 2415.695615 4303.622498 2676.83494 3138.441274 2010.95624 3713.162725 3692.597666 3915.857051 2126.778361 2686.085176 2146.831789 2722.007894 2865.155693 2774.052443 1790.928081 3015.843947 3515.269756 5437.871949 5110.388505 3288.766736 3173.310712 2618.680628 3351.123638 2652.973727 3589.599999 3031.87941 3086.426327 2075.838129 3624.720806 4496.947458 2636.438749 2396.944918 2597.084696 2161.423064 2440.063027 5315.130833 2128.981571 2669.736026 2514.279523 2659.36196 5386.756122 3254.313255 2616.489364 4049.703078 2781.966525 3219.041517 2918.869441 1166.446488 3863.720102 4667.859715 3076.141705 2502.411212 2878.971998 Stearic acid 126392.9924 113464.5058 117761.7793 286584.3491 281235.8834 282018.8116 268056.5205 258278.9064 256628.4484 331300.2917 333487.4933 238578.9212 142984.0762 156769.0918 156588.2464 114179.0517 102109.817 152713.1261 121052.6737 227370.4424 270793.8558 267821.2299 126052.599 386124.8812 122095.2379 164708.7485 125602.3187 95134.81832 109382.978 92863.60977 182050.564 111141.545 240864.2757 316683.4143 158770.0714 190497.9205 101392.9136 120855.4905 259263.7729 128957.5632 173783.9345 117687.577 148665.8961 91099.73693 213977.7917 153643.037 129879.6813 82812.12237 83592.5172 93425.89635 161569.2509 127196.0098 89752.30067 283629.5421 93302.45871 237454.2707 274493.3725 190628.8154 285144.243 97842.90077 179533.6234 208255.5977 86428.71726 137012.1322 103834.1317 165622.0624 96860.90674 203680.1621 143225.7855 134763.8608 88777.11948 81638.74573 149758.3682 84450.41338 194651.4223 97585.93545 134388.6178 127330.5986 225445.9139 248298.4368 216402.4926 146661.804 219493.629 127727.3119 164356.0909 240476.7226 218863.6135 79896.77105 70151.82804 72576.80147 94023.5289 97015.15011 93870.48196 146738.6283 132285.9869 140870.5436 321867.1291 326411.3288 315680.9344 333182.939 332614.1013 143241.3001 188854.7341 102634.256 123727.633 158164.5794 274140.7225 137135.3809 259396.0343 119849.9435 151087.5649 244135.402 216197.7113 141137.4265 146007.5517 216151.3731 151783.422 160538.6392 188319.2152 215052.3708 239483.0126 196093.0606 310849.1552 259642.006 145072.5323 302102.3391 160747.2714 255381.8263 139389.3394 226268.4087 164882.3665 176712.4134 272454.7896 177068.0689 350882.7569 182223.6708 279373.79 369075.2378 92966.12074 103520.7485 148575.8799 164976.7882 144734.471 245819.7741 194970.6444 290550.01 311489.4084 260685.9292 186013.5764 110078.2272 187004.7064 152766.4637 78422.90598 170770.3162 218381.219 158079.2898 166265.1871 248243.0091 108141.2781 102671.1341 200226.0554 106062.1304 121072.8115 151350.8463 146644.6733 102892.3698 147251.5973 152915.6322 285493.8559 238236.9134 150280.8902 175349.8642 121178.1421 99775.17013 104888.2445 233413.0581 294500.8786 98595.93932 87663.56806 99541.99783 134321.7801 131434.4975 126386.6917 296236.8828 302338.7165 305613.8007 396158.3887 388474.0887 391375.3406 385714.2197 380503.2626 216599.467 151870.3545 122311.7273 422160.5825 122475.6263 114620.3519 136654.9067 126360.1352 186312.8887 198550.3488 290255.9665 195764.2777 264087.8469 218556.3746 184779.5477 151545.1236 156323.1188 187005.449 153945.9676 131829.5549 238402.3903 360826.3506 272122.302 145960.4423 161288.3373 168876.0615 121033.5656 174069.4171 162160.6394 133693.0677 125440.3978 189212.8003 133422.3133 338094.7731 122344.854 157702.8498 173973.2151 161552.3339 137222.7479 97712.79077 135353.8061 168510.0575 147612.6675 122949.2224 397336.6174 340866.8392 151382.7702 139727.0974 174421.3514 155502.0271 169685.3515 91937.85412 150970.2133 139662.9301 146390.8171 132559.4992 204761.8038 174379.1235 164086.2456 131726.782 149271.5816 125883.087 120933.6776 153657.4306 131181.5144 119170.5511 142203.0363 355377.2587 157112.3363 164261.8838 135208.8758 130767.0262 115960.1368 158960.5068 383034.6811 118071.4344 118140.0446 112334.9194 66610.1561 70193.0308 67969.34983 211621.6854 203330.8091 214130.6683 259637.8631 264425.815 262100.6864 212723.8868 222843.5205 132653.9908 121485.7674 132016.0488 75674.84622 196980.7946 93355.66006 139860.4394 146700.1766 122422.4954 101591.7545 259482.5265 225626.3 139363.015 220254.6843 83027.45217 125336.4951 117917.6466 138448.4199 144199.5737 93500.90704 111732.5772 264730.2178 258781.1399 120551.1117 64500.17429 99074.48179 96714.32259 99267.51469 150877.8457 119247.455 124646.8583 97092.3966 71467.399 191329.2689 128118.248 84141.53142 132226.0336 103395.218 112078.8822 65918.8304 95094.57882 95948.32598 92660.7618 106490.4926 246519.8889 150620.1007 83024.58545 73511.65448 106168.1266 107103.8322 102040.9313 226091.5368 86813.33439 63443.4506 96408.42176 68048.30815 196646.6684 76674.66593 83793.71928 78736.26829 110841.0819 88533.05677 78838.46974 72344.97982 51568.83359 73519.77143 69343.35292 225096.8382 145835.0763 101571.9429 60528.73878 82548.98361 91001.49445 159403.3835 237556.5603 77591.08739 78013.61131 80275.47131 100785.9103 93071.24481 94730.69266 181378.3435 166389.0916 175665.5808 177709.261 185592.4647 186803.9703 290758.8307 310913.7475 201506.0593 119096.8417 105287.2663 84453.8683 135595.7805 125021.7657 147943.6249 87934.94222 93576.207 90167.07714 136495.0482 128746.7153 100349.5735 168067.8413 103267.4002 137530.2883 73025.29558 119313.7749 144522.6168 130796.0405 130338.2683 158848.8967 209744.3519 121533.6399 104541.4196 154487.6254 118780.3126 209546.197 82431.07251 118781.3944 94778.85035 97978.57071 177471.425 207039.8285 97786.58003 95010.00558 107346.8986 118064.9582 98282.58104 96946.20891 111271.5569 120842.8161 124821.9601 119715.4502 158154.3118 181686.7841 89609.52657 113393.8733 126653.4257 118083.7277 138354.3019 146629.8228 104672.9805 168336.5484 148668.5399 114619.5185 158843.241 159862.6391 99999.4954 156379.5339 101975.2648 92691.13834 151472.2065 100023.8494 165237.8673 150413.0254 92446.41402 88338.94166 86118.55453 Arachidate 2500.333175 2349.099663 4381.208387 6747.102541 6872.742692 7129.525397 7185.86095 6753.960846 6299.113652 8141.709617 7107.859514 5706.019435 4169.520314 4870.254892 4602.331055 4841.516027 3648.202603 3723.557574 5139.091093 6145.223431 5474.44141 7168.205579 4846.996271 7550.791807 4415.573013 4961.678812 4561.96892 3688.276932 4054.431447 3165.011684 4441.203135 3574.338229 6227.600367 7228.172367 4363.620558 5750.487024 3700.34634 4152.970491 5557.32888 4368.775106 4167.178144 3882.971447 4402.97609 3798.536642 6115.564366 4227.757845 4203.775817 3873.543156 4659.02973 4269.290185 4299.276997 4912.907301 4082.59689 5925.743782 4131.158106 5672.271692 6273.487273 4032.542327 5605.131979 3311.202135 4174.713159 4638.183796 4286.515009 4166.316059 3551.20258 4819.094136 3599.44583 4799.902468 4486.803356 3002.437594 3102.589071 3882.787571 3654.462838 3456.838642 4905.177489 3683.496472 3862.133708 4311.771143 5794.072579 5263.261525 4730.019165 4530.214183 5845.460809 3579.032066 4604.514865 6000.497771 5163.174881 2990.927035 3002.164972 2872.631242 3889.104625 3820.133369 3897.662953 3918.181646 5054.385273 4785.863377 6760.357782 7939.794037 7120.444194 7036.391311 7727.303967 3968.782497 5962.989613 3673.663561 4607.654909 5004.346861 7037.185926 4887.117883 5412.021047 4230.582556 4419.183788 6095.72166 5020.018765 4856.480058 4362.955077 4962.077468 4097.06933 4569.054438 4910.335899 5202.564137 5738.400414 4759.708684 6938.069799 5115.533958 4611.679245 6730.83809 4446.206898 5538.259886 4489.670613 5079.015108 4753.574516 4760.45281 6570.683489 4283.734833 7621.921751 5536.641553 6609.954841 7837.484172 4105.156321 4029.837285 3723.727792 4114.546141 4307.555277 5026.607133 4738.197568 7637.62404 6548.776959 6049.84609 4984.62361 3454.827557 5131.4246 5082.866807 4142.735485 4480.233974 5023.106776 4663.765201 5215.533004 6420.347073 3354.866325 3635.58319 4730.888676 3919.029204 4021.332201 4271.522575 4524.740725 4148.116087 4444.859507 4860.081852 5983.450125 5914.212008 4874.37883 4605.91547 4456.789223 4321.569623 4137.385597 5068.1815 6227.717581 3290.022283 2919.754368 4013.137862 4101.158127 3664.506154 3649.457574 6029.027703 7307.145304 7526.446521 7280.606067 8195.111722 8166.671553 7725.425216 6328.366057 5255.748478 3759.30208 5080.744758 9318.035512 4044.811036 4119.678826 4048.124753 4024.417047 5787.706966 5416.625731 6942.722384 5578.734595 5627.052203 5628.406493 4817.008653 4226.2721 3819.57607 5476.395908 3866.567932 4012.695605 5161.763227 7814.801267 7041.986142 4843.259067 4215.325521 5201.277846 4500.853763 4145.823252 4907.997913 4211.639234 5511.819946 4199.495734 3818.175146 7027.817076 4147.773213 4277.307144 4871.547143 4410.743844 4339.289395 4556.222138 4659.040497 4733.223045 4447.564655 4801.299576 7774.575436 7036.793841 4314.763596 5066.505988 4850.269698 5059.809044 5121.716587 3712.955638 4707.123215 5008.979459 4912.866484 4269.110873 5891.738205 3218.157288 5764.847693 4228.265198 5001.41851 4170.782446 4412.656072 5282.373883 5056.376959 4570.747275 4700.829333 7860.160911 5063.489392 5090.032945 5062.142244 4389.505648 4759.969858 4852.191935 7481.628879 3401.503367 4794.549058 3419.941512 2210.594001 2731.345379 3111.946881 4562.11114 4834.948306 5114.454255 5636.0455 5625.184029 4687.725159 5494.574641 5020.232375 3710.333844 4257.906497 3612.50389 2527.059803 3945.40345 2848.0869 3993.119271 3969.396372 3290.188055 3303.080818 4501.630372 4161.888015 3305.107493 5026.661151 2592.823457 3269.29763 2516.169627 2931.822224 3940.293771 2260.31637 3244.413412 6001.053892 5036.919904 3060.15526 1764.460678 2785.500911 2976.583395 2796.317097 3105.138532 3096.75549 3254.51012 2337.967119 2184.558738 4018.948553 2956.671916 2394.468828 3586.607868 3590.303431 2516.27167 2188.197415 2622.964628 2716.344248 3633.064596 2408.706012 5168.776307 3954.313407 3314.289061 2558.866741 2656.93354 2742.407538 3227.746415 4555.091806 2243.812196 2165.249653 2916.611554 1860.468964 4211.575159 2472.604238 2786.029762 2862.089685 2750.220054 2790.614645 3512.907134 2318.746537 1992.32515 2415.69319 2621.870689 4787.002313 3430.107017 2223.59098 2367.109569 2715.236993 2978.86149 4213.910674 4460.571384 2532.203445 1647.412514 2800.806145 3448.61322 3370.241907 3486.757401 4591.562895 4881.536261 5127.606229 5327.66626 4972.790892 5052.325428 6534.764375 6539.878931 4435.188613 3368.038016 3231.787583 3283.016087 3772.603803 4176.751619 3738.645937 2406.844556 3430.43848 3327.191002 3611.705213 3955.97305 3222.713545 3873.571788 2810.895916 3683.54049 3415.186902 3322.066992 3806.079545 3906.151462 4222.986063 4728.801148 4814.119796 3586.546945 3850.909529 3732.882234 3105.008605 3705.677698 2907.592813 3307.631747 3059.388472 3287.40173 4181.557085 5075.967662 3066.733787 2967.285458 3594.321676 3559.867253 2402.884738 3324.727733 3620.193573 3568.094239 3800.626992 3906.536143 4551.208103 4163.585448 3625.727148 3853.767457 3569.87003 3465.722677 3166.051535 3251.576525 2878.658864 4182.791857 3661.872063 3744.934757 3783.78793 3410.258068 3549.000634 4147.53352 3694.601003 3731.206638 3344.64933 2637.840026 4782.767051 4446.777384 2456.34412 2901.613626 1752.124819 metabolite_name Formula Mass retention times RT..seC- Adduct quantitated m/z CAS.ID Ethyl sulfate C2 H6 O4 S 126.0002 0.42 25.2 m-H 124.99238 546-74-7 Oxoadipate C6 H8 O5 160.037 0.43 25.8 (m+HCOO)- 205.0347 3184-35-8 Ethyl glucuronide C8 H14 O7 222.0751 0.43 25.8 m-H 221.06728 17685-04-0 Maleate C4 H4 O4 116.0114 0.43 25.8 (m+HCOO)+[-H2O] 142.9985 110-16-7 Oxoglutarate C5 H6 O5 146.0221 0.46 27.6 (m+HCOO)- 191.0198 22202-68-2 2-Methylmaleate / Itaconate C5 H6 O4 130.0265 0.64 38.4 m-H 129.01868 498-23-7 / 97-65-4 3-Methoxy-4-Hydroxymandelate C9 H10 O5 198.0546 0.65 39 m-H 197.04678 55-10-7 4-Quinolinecarboxylate C10 H7 N O2 173.0501 0.65 39 (m+HCOO)- 218.0478 486-74-8 Homogentisate C8 H8 O4 168.0426 0.65 39 m-H 167.03478 451-13-8 2-Hydroxybutyrate C4 H8 O3 104.0473 0.65 39 m-H 103.03948 5094-24-6 4-methylcatechol C7 H8 O2 124.0522 0.65 39 (m+HCOO)+[-H2O] 151.0393 452-86-8 trans,trans -Muconic acid C6 H6 O4 142.0265 0.65 39 m-H 141.01868 3588-17-8 3,4-Dihydrox benzoic acid C7 H6 O4 154.0267 0.76 45.6 m-H 153.01888 99-50-3 Ethylmalonate C5 H8 O4 132.042 0.81 48.6 m-H 131.03418 601-75-2 Adipate / 3-Methylglutarate C6 H10 O4 146.0579 0.82 49.2 m-H 145.05008 124-04-9 / 626-51-7 Phenylglyoxylic acid / 2-Hydroxy-4-(Methylthio)Butanoate C8 H6 O3 / C5 H10 O3 S 150.033 0.82 49.2 m-H 149.02518 611-73-4 / 4857-44-7 3-hydroxyanthranilic acid C7 H7 N O3 153.0436 0.84 50.4 m-H 152.03578 548-93-6 2-Methylglutarate C6 H10 O4 146.058 0.89 53.4 m-H 145.05018 18069-17-5 Hydroxyphenyllactate/ Phenylacetate C9 H10 O4 / C8 H8 O2 182.0578 / 136.0524 0.92 55.2 m-H / (m+HCOO)- 181.0501 6482-98-0 / 103-82-2 Indoxyl Sulfate C8 H7 N O4 S 213.0099 0.92 55.2 m-H 212.00208 2642-37-7 3-Methyl-2-Oxindole C9 H9 N O 147.0681 0.98 58.8 m-H 146.06028 1504-06-9 5-Hydroxyindoleacetate C10 H9 N O3 191.0583 0.98 58.8 m-H 190.05048 54-16-0 Xanthurenate C10 H7 N O4 205.0375 0.98 58.8 m-H 204.02968 59-00-7 Kynurenate C10 H7 N O3 189.0427 1.07 64.2 m-H 188.03488 492-27-3 Hippurate C9 H9 N O3 179.0585 1.25 75 m-H 178.05068 495-69-2 Sorbate C6 H8 O2 112.0522 1.26 75.6 (m-H)+[-H2O] 93.0338 24634-61-5 2-Hydroxyphenylacetate / P-Hydroxyphenylacetate C8 H8 O3 152.0473 1.27 76.2 m-H 151.03948 611-71-2 / 156-38-7 Guaiacol C7 H8 O2 124.0524 1.27 76.2 (m+HCOO)+[-H2O] 151.0395 90-05-1 Mandelate C8 H8 O3 152.0473 1.27 76.2 m-H 151.03948 90-64-2 Phenylacetylglutamine C13 H16 N2 O4 264.1113 1.27 76.2 m-H 263.10348 28047-15-6 4-Hydroxybenzoate C7 H6 O3 138.0314 1.3 78 m-H 137.02358 99-96-7 3-Methyl-2-Oxovalerate C6 H10 O3 130.0629 1.3 78 (m+HCOO)- 175.0606 1460-34-0 Phthalic acid C8 H6 O4 166.0261 1.41 84.6 m-H 165.01828 88-99-3 Homovanillate C9 H10 O4 182.0578 1.52 91.2 m-H 181.04998 306-08-1 6-Carboxyhexanoate C7 H12 O4 160.0736 1.56 93.6 m-H 159.06578 111-16-0 3-Hydroxyphenylacetate C8 H8 O3 152.0471 1.57 94.2 m-H 151.03928 621-37-4 2,3-Dihydroxybenzoate C7 H6 O4 154.0264 1.68 100.8 m-H 153.01858 303-38-8 Riboflavin C17 H20 N4 O6 376.1375 1.84 110.4 m-H 375.12968 83-88-5 3-Hydroxybenzoate C7 H6 O3 138.0314 1.85 111 m-H 137.02358 99-06-9 N-Acety-L-Leucine C8 H15 N O3 173.1051 2.79 167.4 m-H 172.09728 1188-21-2 N-Acetylphenylalanine / Indole-3-Ethanol C11 H13 N O3 207.089 / 161.084 3.03 181.8 m-H / (m+HCOO)- 206.0817 2018-61-3 / 526-55-6 Anthranilate / 4-Aminobenzoate C7 H7 N O2 137.0476 3.13 187.8 (m+HCOO)+[-H2O] 164.0347 118-92-3 / 150-13-0 Ferulate C10 H10 O4 194.0577 3.21 192.6 m-H 193.04988 1135-24-6 Suberate C8 H14 O4 174.0891 3.34 200.4 m-H 173.08128 505-48-6 3-(2-Hydroxyphenyl)Propanoate C9 H10 O3 166.0629 3.49 209.4 (m+HCOO)- 211.0606 495-78-3 m-Coumaric acid C9 H8 O3 164.047 3.54 212.4 m-H 163.03918 588-30-7 Indole-3-Carboxylic acid C9 H7 N O2 161.0476 3.62 217.2 m-H 160.03978 771-50-6 Indole-3-Acetate C10 H9 N O2 175.0636 3.65 219 m-H 174.05578 6505-45-9 2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate) C12 H14 O5 238.0838 3.69 221.4 (m-H)+[-H2O] 219.0654 64339-39-5 / 57074-43-8 Methyl Paraben C8 H8 O3 152.0471 3.78 226.8 m-H 151.03928 99-76-3 Bisphenol S C12 H10 O4 S 250.0299 3.78 226.8 m-H 249.02208 98388-00-2 Rosmarinate C18 H16 O8 360.0845 3.89 233.4 (m+HCOO)+[-H2O] 387.0716 20283-92-5 Salicylate C7 H6 O3 138.0315 3.94 236.4 m-H 137.02368 69-72-7 MEP (Mono-ethyl phthalate) C10 H10 O4 194.0577 4.03 241.8 m-H 193.04988 2306-33-4 Trans-Resveratrol C14 H12 O3 228.0794 4.07 244.2 m-H 227.07158 501-36-0 Azelate C9 H16 O4 188.105 4.17 250.2 m-H 187.09718 123-99-9 Caprylate C8 H16 O2 144.1145 4.17 250.2 (m-H)+[-H2O] 125.0961 124-07-2 Estriol C18 H24 O3 288.1683 4.21 252.6 (m-H)+[-H2O] 269.1499 50-27-1 Cortisone C21 H28 O5 360.1862 4.39 263.4 (m+HCOO)+[-H2O] 387.1733 53-06-5 Cortisol C21 H30 O5 362.2026 4.51 270.6 (m+HCOO)- 407.2003 50-23-7 Sebacic acid C10 H18 O4 202.1205 4.73 283.8 m-H 201.11268 32734-00-2 10-Hydroxydecanoate C10 H20 O3 188.1406 4.84 290.4 (m-H)+[-H2O] 169.1222 1679-53-4 Dehydroepiandrosterone Sulfate C19 H28 O5 S 368.1672 4.88 292.8 m-H 367.15938 1095-56-3 MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) C16 H20 O6 308.127 5.08 304.8 (m+HCOO)- 353.1247 40809-41-4 cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) C17 H22 O6 322.1414 5.29 317.4 (m+HCOO)- 367.1391 936022-02-5 MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate) C12 H14 O4 222.0887 5.3 318 m-H 221.08088 131-70-4 / 30833-53-5 Pregnenolone Sulfate C21 H32 O5 S 396.2015 5.46 327.6 (m-H)+[-H2O] 377.1831 1247-64-9 Glycocholate C26 H43 N O6 465.3075 5.54 332.4 m-H 464.29968 475-31-0 Dodecanedioic acid C12 H22 O4 230.1518 5.59 335.4 m-H 229.14398 142610-44-4 Omega-Hydroxydodecanoate C12 H24 O3 216.1724 5.7 342 (m-H)+[-H2O] 197.154 505-95-3 2-Undecanone C11 H22 O 170.1669 5.7 342 (m+HCOO)- 215.1646 121-12-9 cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate) C18 H24 O6 336.1569 5.7 342 (m+HCOO)- 381.1546 1373125-93-9 Butyl Paraben C11 H14 O3 194.0941 5.75 345 m-H 193.08628 94-26-8 Taurodeoxycholic acid C26 H45 N O6 S 499.2951 5.81 348.6 m-H 498.28728 125757-77-9 Perfluorooctanoic acid C8 H F15 O2 413.978 6.13 367.8 m-H 412.97018 335-67-1 Cholate C24 H40 O5 408.2868 6.14 368.4 m-H 407.27898 81-25-4 Ursodeoxycholic acid C24 H40 O4 392.2915 6.14 368.4 m-H 391.28368 128-13-2 Salsolinol C10 H13 N O2 179.0946 6.4 384 (m+HCOO)- 224.0923 59709-57-8 3-Methoxytyramine C9 H13 N O2 167.0946 6.57 394.2 (m+HCOO)+[-H2O] 194.0817 1477-68-5 Glycolithocholic acid C26 H43 N O4 433.3184 6.96 417.6 m-H 432.31058 474-74-8 MEHP (Mono-2-ethylhexyl phthalate) C16 H22 O4 278.1616 7.16 429.6 m-H 277.15378 4376-20-9 LysoPC(16:0) C24 H50 N O7 P 495.3304 8 480 (m+HCOO)- 540.3281 14863-27-5 Laurate C12 H24 O2 200.1776 8.21 492.6 m-H 199.16978 143-07-7 LysoPC(18:0) C26 H54 N O7 P 523.3619 8.72 523.2 (m+HCOO)- 568.3596 19420-57-6 Myristate C14 H28 O2 228.2088 9.05 543 m-H 227.20098 544-63-8 Oleamide C18 H35 N O 281.2687 9.15 549 (m+HCOO)+[-H2O] 308.2558 181057-55-6 Eicosapentaenoate C20 H30 O2 302.224 9.22 553.2 m-H 301.21618 10417-94-4 Palmitoleic acid C16 H30 O2 254.2244 9.36 561.6 m-H 253.21658 373-49-9 Linoleate C18 H32 O2 280.2399 9.56 573.6 m-H 279.23208 60-33-3 Arachidonic Acid C20 H32 O2 304.2393 9.66 579.6 m-H 303.23148 93444-49-6 Palmitate C16 H32 O2 256.2402 9.82 589.2 m-H 255.23238 57-10-3 Cholesterol Sulfate C27 H46 O4 S 466.3108 9.85 591 m-H 465.30298 1491-95-8 Oleate / Elaidate / Petroselinate C18 H34 O2 282.2556 10.01 600.6 m-H 281.24778 112-80-1 / 112-79-8/ 593-39-5 Heptadecanoate / Hexadecanol C17 H34 O2/ C16 H34 O 270.2555 / 242.2607 10.18 610.8 m-H / (m+HCOO)+[-H2O] 269.2478 506-12-7 / 36653-82-4 Stearic acid C18 H36 O2 284.2714 10.51 630.6 m-H 283.26358 609343-71-7 Arachidate C20 H40 O2 312.3024 11.13 667.8 m-H 311.29458 506-30-9 MS_ALL_DATA_END