#METABOLOMICS WORKBENCH kuppal2_20180621_090042 DATATRACK_ID:1418 STUDY_ID:ST001004 ANALYSIS_ID:AN001715 PROJECT_ID:PR000679 VERSION 1 CREATED_ON December 17, 2018, 10:01 am #PROJECT PR:PROJECT_TITLE Denver Asthma Panel Study-CHEAR Ancillary Study PR:PROJECT_TYPE NIH/NIEHS 1U2CES026560-01 PR:PROJECT_SUMMARY Urban environments remain a poorly understood toxic environment for children PR:PROJECT_SUMMARY with asthma, where improved exposure characterization and estimation of PR:PROJECT_SUMMARY exposurehealth outcome relationships are clearly needed. The goal of this PR:PROJECT_SUMMARY project is to investigate the interactions between relevant environmental PR:PROJECT_SUMMARY exposures and asthma severity in a year-long longitudinal study of urban PR:PROJECT_SUMMARY children with asthma. Environmental and clinical samples are being collected at PR:PROJECT_SUMMARY 3 seasonal visits. Using these samples, we will measure the effects of multiple PR:PROJECT_SUMMARY relevant exposures (environmental tobacco smoke (ETS), polycyclic aromatic PR:PROJECT_SUMMARY hydrocarbons (PAHs), phthalates, and volatile organic compounds (VOCs)) on PR:PROJECT_SUMMARY biological responses (metabolomics, oxidative stress, inflammatory markers, and PR:PROJECT_SUMMARY endocannabinoids) and asthma outcomes. Our overall hypothesis is that relevant PR:PROJECT_SUMMARY environmental exposures and their interactions drive disease severity in urban PR:PROJECT_SUMMARY children with asthma. We will test this hypothesis by investigating the PR:PROJECT_SUMMARY following aims:" "Aim 1: To investigate how environmental exposures (ETS, PR:PROJECT_SUMMARY PAHs, phthalates, and VOCs) and their interactions contribute to asthma severity PR:PROJECT_SUMMARY in urban children." "Aim 2: To determine if environmental exposures in PR:PROJECT_SUMMARY children with asthma are associated with changes in in biological responses PR:PROJECT_SUMMARY (metabolomics, oxidative stress, inflammatory markers, and PR:PROJECT_SUMMARY endocannabinoids)." Aim 3: To determine which biological responses mediate PR:PROJECT_SUMMARY the relationships between environmental exposures and asthma severity. Aim 4: PR:PROJECT_SUMMARY To compare environmental exposures and biological responses in asthmatic and PR:PROJECT_SUMMARY non-asthmatic children PR:INSTITUTE Emory University PR:DEPARTMENT School of Medicine PR:LABORATORY Clinical Biomarkers Laboratory PR:LAST_NAME Uppal PR:FIRST_NAME Karan PR:ADDRESS 615 Michael St. Ste 225, Atlanta, GA, 30322, USA PR:EMAIL kuppal2@emory.edu PR:PHONE (404) 727 5027 PR:FUNDING_SOURCE NIEHS ES026560 PR:CONTRIBUTORS Andrew Lui (University of Colorado Denver), Tasha Fingerlin ( University of PR:CONTRIBUTORS Colorado Denver), Jonathon Thornburg (University of Colorado Denver), and Dean PR:CONTRIBUTORS P. Jones (Emory University) #STUDY ST:STUDY_TITLE Denver Asthma Panel Study-CHEAR Ancillary Study ST:STUDY_TYPE Untargeted high-resolution mass spectrometry profiling ST:STUDY_SUMMARY Urban environments remain a poorly understood toxic environment for children ST:STUDY_SUMMARY with asthma, where improved exposure characterization and estimation of ST:STUDY_SUMMARY exposurehealth outcome relationships are clearly needed. The goal of this ST:STUDY_SUMMARY project is to investigate the interactions between relevant environmental ST:STUDY_SUMMARY exposures and asthma severity in a year-long longitudinal study of urban ST:STUDY_SUMMARY children with asthma. Environmental and clinical samples are being collected at ST:STUDY_SUMMARY 3 seasonal visits. Using these samples, we will measure the effects of multiple ST:STUDY_SUMMARY relevant exposures (environmental tobacco smoke (ETS), polycyclic aromatic ST:STUDY_SUMMARY hydrocarbons (PAHs), phthalates, and volatile organic compounds (VOCs)) on ST:STUDY_SUMMARY biological responses (metabolomics, oxidative stress, inflammatory markers, and ST:STUDY_SUMMARY endocannabinoids) and asthma outcomes. Our overall hypothesis is that relevant ST:STUDY_SUMMARY environmental exposures and their interactions drive disease severity in urban ST:STUDY_SUMMARY children with asthma. We will test this hypothesis by investigating the ST:STUDY_SUMMARY following aims:" "Aim 1: To investigate how environmental exposures (ETS, ST:STUDY_SUMMARY PAHs, phthalates, and VOCs) and their interactions contribute to asthma severity ST:STUDY_SUMMARY in urban children." "Aim 2: To determine if environmental exposures in ST:STUDY_SUMMARY children with asthma are associated with changes in in biological responses ST:STUDY_SUMMARY (metabolomics, oxidative stress, inflammatory markers, and ST:STUDY_SUMMARY endocannabinoids)." Aim 3: To determine which biological responses mediate ST:STUDY_SUMMARY the relationships between environmental exposures and asthma severity. Aim 4: ST:STUDY_SUMMARY To compare environmental exposures and biological responses in asthmatic and ST:STUDY_SUMMARY non-asthmatic children ST:INSTITUTE Emory University ST:DEPARTMENT School of Medicine ST:LABORATORY Clincal Biomarkers Laboratory ST:LAST_NAME Uppal ST:FIRST_NAME Karan ST:ADDRESS 615 Michael St. Ste 225, Atlanta, GA, 30322, USA ST:EMAIL kuppal2@emory.edu ST:PHONE (404) 727 5027 ST:TOTAL_SUBJECTS 66 ST:STUDY_COMMENTS Both CHEAR and Clinical Biomarker Laboratory pooled plasma samples were used ST:STUDY_COMMENTS for quality control. Study specific sample pools were not created #SUBJECT SU:SUBJECT_TYPE Plasma samples SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE Teens (12 – 17 yr) #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS NIST SRM 19501_1 nist1_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_001,VT_180424_M342_003,VT_180424_M342_005" SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_1a_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_007,VT_180424_M342_009,VT_180424_M342_011 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1a_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_013,VT_180424_M342_015,VT_180424_M342_017 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1b_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_019,VT_180424_M342_021,VT_180424_M342_023 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G4M2-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_025,VT_180424_M342_027,VT_180424_M342_029 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYU9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_031,VT_180424_M342_033,VT_180424_M342_035 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9V7-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_037,VT_180424_M342_039,VT_180424_M342_041 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1G8-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_043,VT_180424_M342_045,VT_180424_M342_047 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G850-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_049,VT_180424_M342_051,VT_180424_M342_053 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8A4-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_055,VT_180424_M342_057,VT_180424_M342_059 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G108-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_061,VT_180424_M342_063,VT_180424_M342_065 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G306-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_067,VT_180424_M342_069,VT_180424_M342_071 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9J3-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_073,VT_180424_M342_075,VT_180424_M342_077 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G900-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_079,VT_180424_M342_081,VT_180424_M342_083 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6J6-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_085,VT_180424_M342_087,VT_180424_M342_089 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYH8-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_091,VT_180424_M342_093,VT_180424_M342_095 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G652-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_097,VT_180424_M342_099,VT_180424_M342_101 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G967-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_103,VT_180424_M342_105,VT_180424_M342_107 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G181-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_109,VT_180424_M342_111,VT_180424_M342_113 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G0G9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_115,VT_180424_M342_117,VT_180424_M342_119 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1c_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_121,VT_180424_M342_123,VT_180424_M342_125 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1d_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_127,VT_180424_M342_129,VT_180424_M342_131 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FZY9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_133,VT_180424_M342_135,VT_180424_M342_137 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G5P4-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_139,VT_180424_M342_141,VT_180424_M342_143 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXC0-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_145,VT_180424_M342_147,VT_180424_M342_149 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6A6-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_151,VT_180424_M342_153,VT_180424_M342_155 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G7U1-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_157,VT_180424_M342_159,VT_180424_M342_161 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G033-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_163,VT_180424_M342_165,VT_180424_M342_167 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G3C5-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_169,VT_180424_M342_171,VT_180424_M342_173 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1GB35-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_175,VT_180424_M342_177,VT_180424_M342_179 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G0N3-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_181,VT_180424_M342_183,VT_180424_M342_185 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G579-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_187,VT_180424_M342_189,VT_180424_M342_191 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G470-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_193,VT_180424_M342_195,VT_180424_M342_197 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FX76-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_199,VT_180424_M342_201,VT_180424_M342_203 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8Q9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_205,VT_180424_M342_207,VT_180424_M342_209 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1P8-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_211,VT_180424_M342_213,VT_180424_M342_215 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1R4-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_217,VT_180424_M342_219,VT_180424_M342_221 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6T4-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_223,VT_180424_M342_225,VT_180424_M342_227 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXR7-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_229,VT_180424_M342_231,VT_180424_M342_233 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1e_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_235,VT_180424_M342_237,VT_180424_M342_239 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1f_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_241,VT_180424_M342_243,VT_180424_M342_245 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_1b_1 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_247,VT_180424_M342_249,VT_180424_M342_251 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_2a_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_001,VT_180425_M342_003,VT_180425_M342_005 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2a_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_007,VT_180425_M342_009,VT_180425_M342_011 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2b_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_013,VT_180425_M342_015,VT_180425_M342_017 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G397-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_019,VT_180425_M342_021,VT_180425_M342_023 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G199-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_025,VT_180425_M342_027,VT_180425_M342_029 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8P1-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_031,VT_180425_M342_033,VT_180425_M342_035 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9E4-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_037,VT_180425_M342_039,VT_180425_M342_041 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FY00-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_043,VT_180425_M342_045,VT_180425_M342_047 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYK1-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_049,VT_180425_M342_051,VT_180425_M342_053 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6M0-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_055,VT_180425_M342_057,VT_180425_M342_059 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G2W2-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_061,VT_180425_M342_063,VT_180425_M342_065 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G124-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_067,VT_180425_M342_069,VT_180425_M342_071 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G363-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_073,VT_180425_M342_075,VT_180425_M342_077 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1GAV9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_079,VT_180425_M342_081,VT_180425_M342_083 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G4F7-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_085,VT_180425_M342_087,VT_180425_M342_089 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6L2-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_091,VT_180425_M342_093,VT_180425_M342_095 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYC9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_097,VT_180425_M342_099,VT_180425_M342_101 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G3D2-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_103,VT_180425_M342_105,VT_180425_M342_107 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1N2-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_109,VT_180425_M342_111,VT_180425_M342_113 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2c_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_115,VT_180425_M342_117,VT_180425_M342_119 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2d_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_121,VT_180425_M342_123,VT_180425_M342_125 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYY0-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_127,VT_180425_M342_129,VT_180425_M342_131 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G785-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_133,VT_180425_M342_135,VT_180425_M342_137 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1GB19-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_139,VT_180425_M342_141,VT_180425_M342_143 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G405-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_145,VT_180425_M342_147,VT_180425_M342_149 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G678-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_151,VT_180425_M342_153,VT_180425_M342_155 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9L9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_157,VT_180425_M342_159,VT_180425_M342_161 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FZL8-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_163,VT_180425_M342_165,VT_180425_M342_167 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G330-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_169,VT_180425_M342_171,VT_180425_M342_173 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G041-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_175,VT_180425_M342_177,VT_180425_M342_179 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G4E9-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_181,VT_180425_M342_183,VT_180425_M342_185 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G7H0-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_187,VT_180425_M342_189,VT_180425_M342_191 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8X3-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_193,VT_180425_M342_195,VT_180425_M342_197 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXX3-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_199,VT_180425_M342_201,VT_180425_M342_203 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G5S7-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_205,VT_180425_M342_207,VT_180425_M342_209 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6V0-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_211,VT_180425_M342_213,VT_180425_M342_215 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G876-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_217,VT_180425_M342_219,VT_180425_M342_221 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXD7-P-00_1 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_223,VT_180425_M342_225,VT_180425_M342_227 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2e_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_229,VT_180425_M342_231,VT_180425_M342_233 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2f_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_235,VT_180425_M342_237,VT_180425_M342_239 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_2b_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_241,VT_180425_M342_243,VT_180425_M342_245 SUBJECT_SAMPLE_FACTORS NIST SRM 19502_1 nist2_1 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_247,VT_180425_M342_249,VT_180425_M342_251 SUBJECT_SAMPLE_FACTORS NIST SRM 19501_1 nist1_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_002,VT_180424_M342_004,VT_180424_M342_006 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_1a_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_008,VT_180424_M342_010,VT_180424_M342_012 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1a_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_014,VT_180424_M342_016,VT_180424_M342_018 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1b_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_020,VT_180424_M342_022,VT_180424_M342_024 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G4M2-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_026,VT_180424_M342_028,VT_180424_M342_030 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYU9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_032,VT_180424_M342_034,VT_180424_M342_036 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9V7-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_038,VT_180424_M342_040,VT_180424_M342_042 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1G8-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_044,VT_180424_M342_046,VT_180424_M342_048 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G850-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_050,VT_180424_M342_052,VT_180424_M342_054 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8A4-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_056,VT_180424_M342_058,VT_180424_M342_060 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G108-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_062,VT_180424_M342_064,VT_180424_M342_066 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G306-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_068,VT_180424_M342_070,VT_180424_M342_072 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9J3-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_074,VT_180424_M342_076,VT_180424_M342_078 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G900-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_080,VT_180424_M342_082,VT_180424_M342_084 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6J6-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_086,VT_180424_M342_088,VT_180424_M342_090 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYH8-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_092,VT_180424_M342_094,VT_180424_M342_096 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G652-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_098,VT_180424_M342_100,VT_180424_M342_102 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G967-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_104,VT_180424_M342_106,VT_180424_M342_108 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G181-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_110,VT_180424_M342_112,VT_180424_M342_114 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G0G9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_116,VT_180424_M342_118,VT_180424_M342_120 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1c_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_122,VT_180424_M342_124,VT_180424_M342_126 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1d_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_128,VT_180424_M342_130,VT_180424_M342_132 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FZY9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_134,VT_180424_M342_136,VT_180424_M342_138 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G5P4-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_140,VT_180424_M342_142,VT_180424_M342_144 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXC0-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_146,VT_180424_M342_148,VT_180424_M342_150 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6A6-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_152,VT_180424_M342_154,VT_180424_M342_156 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G7U1-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_158,VT_180424_M342_160,VT_180424_M342_162 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G033-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_164,VT_180424_M342_166,VT_180424_M342_168 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G3C5-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_170,VT_180424_M342_172,VT_180424_M342_174 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1GB35-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_176,VT_180424_M342_178,VT_180424_M342_180 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G0N3-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_182,VT_180424_M342_184,VT_180424_M342_186 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G579-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_188,VT_180424_M342_190,VT_180424_M342_192 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G470-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_194,VT_180424_M342_196,VT_180424_M342_198 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FX76-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_200,VT_180424_M342_202,VT_180424_M342_204 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8Q9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_206,VT_180424_M342_208,VT_180424_M342_210 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1P8-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_212,VT_180424_M342_214,VT_180424_M342_216 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1R4-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_218,VT_180424_M342_220,VT_180424_M342_222 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6T4-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_224,VT_180424_M342_226,VT_180424_M342_228 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXR7-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_230,VT_180424_M342_232,VT_180424_M342_234 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1e_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_236,VT_180424_M342_238,VT_180424_M342_240 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_1f_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_242,VT_180424_M342_244,VT_180424_M342_246 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_1b_2 HRM_Sample_Type:Quality Control "Date Analyzed=180424; Batch=1; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180424_M342_248,VT_180424_M342_250,VT_180424_M342_252 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_2a_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_002,VT_180425_M342_004,VT_180425_M342_006 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2a_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_008,VT_180425_M342_010,VT_180425_M342_012 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2b_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_014,VT_180425_M342_016,VT_180425_M342_018 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G397-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_020,VT_180425_M342_022,VT_180425_M342_024 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G199-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_026,VT_180425_M342_028,VT_180425_M342_030 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8P1-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_032,VT_180425_M342_034,VT_180425_M342_036 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9E4-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_038,VT_180425_M342_040,VT_180425_M342_042 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FY00-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_044,VT_180425_M342_046,VT_180425_M342_048 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYK1-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_050,VT_180425_M342_052,VT_180425_M342_054 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6M0-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_056,VT_180425_M342_058,VT_180425_M342_060 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G2W2-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_062,VT_180425_M342_064,VT_180425_M342_066 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G124-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_068,VT_180425_M342_070,VT_180425_M342_072 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G363-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_074,VT_180425_M342_076,VT_180425_M342_078 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1GAV9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_080,VT_180425_M342_082,VT_180425_M342_084 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G4F7-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_086,VT_180425_M342_088,VT_180425_M342_090 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6L2-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_092,VT_180425_M342_094,VT_180425_M342_096 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYC9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_098,VT_180425_M342_100,VT_180425_M342_102 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G3D2-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_104,VT_180425_M342_106,VT_180425_M342_108 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G1N2-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_110,VT_180425_M342_112,VT_180425_M342_114 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2c_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_116,VT_180425_M342_118,VT_180425_M342_120 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2d_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_122,VT_180425_M342_124,VT_180425_M342_126 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FYY0-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_128,VT_180425_M342_130,VT_180425_M342_132 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G785-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_134,VT_180425_M342_136,VT_180425_M342_138 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1GB19-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_140,VT_180425_M342_142,VT_180425_M342_144 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G405-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_146,VT_180425_M342_148,VT_180425_M342_150 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G678-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_152,VT_180425_M342_154,VT_180425_M342_156 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G9L9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_158,VT_180425_M342_160,VT_180425_M342_162 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FZL8-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_164,VT_180425_M342_166,VT_180425_M342_168 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G330-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_170,VT_180425_M342_172,VT_180425_M342_174 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G041-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_176,VT_180425_M342_178,VT_180425_M342_180 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G4E9-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_182,VT_180425_M342_184,VT_180425_M342_186 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G7H0-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_188,VT_180425_M342_190,VT_180425_M342_192 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G8X3-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_194,VT_180425_M342_196,VT_180425_M342_198 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXX3-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_200,VT_180425_M342_202,VT_180425_M342_204 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G5S7-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_206,VT_180425_M342_208,VT_180425_M342_210 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G6V0-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_212,VT_180425_M342_214,VT_180425_M342_216 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1G876-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_218,VT_180425_M342_220,VT_180425_M342_222 SUBJECT_SAMPLE_FACTORS Plasma Study Sample C-1FXD7-P-00_2 HRM_Sample_Type:Study "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_224,VT_180425_M342_226,VT_180425_M342_228 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2e_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_230,VT_180425_M342_232,VT_180425_M342_234 SUBJECT_SAMPLE_FACTORS CHEAR PlasmaRef_20160726 chearplasma_2f_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_236,VT_180425_M342_238,VT_180425_M342_240 SUBJECT_SAMPLE_FACTORS Q-Std Plasma pool q3June2014_2b_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_242,VT_180425_M342_244,VT_180425_M342_246 SUBJECT_SAMPLE_FACTORS NIST SRM 19502_1 nist2_2 HRM_Sample_Type:Quality Control "Date Analyzed=180425; Batch=2; CHEAR_Project_ID=2016-1450; Sample.Matrix=Plasma; Raw files=VT_180425_M342_248,VT_180425_M342_250,VT_180425_M342_252 #COLLECTION CO:COLLECTION_SUMMARY Blood plasma samples were collected from nonfasting participants in the Denver CO:COLLECTION_SUMMARY Asthma Panel Study at enrollment (baseline). Blood samples were collected in CO:COLLECTION_SUMMARY tubes containing EDTA and after centrifugation aliquots of plasma were CO:COLLECTION_SUMMARY transferred to 1.8 ml freezer tubes and stored in a -70 degrees C freezer. CO:SAMPLE_TYPE Plasma - EDTA CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY Samples were received frozen in aliquouts of <250uL. Prior to analysis, samples TR:TREATMENT_SUMMARY were thawed and prepared for HRM analysis using the standard protocols described TR:TREATMENT_SUMMARY in the Sample Preparation section. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared for metabolomics analysis using established SP:SAMPLEPREP_SUMMARY methods(Johnson et al. (2010). Analyst; Go et al. (2015). Tox Sci). Prior to SP:SAMPLEPREP_SUMMARY analysis, plasma aliquots were removed from storage at -80 degrees C and thawed SP:SAMPLEPREP_SUMMARY on ice. Each cryotube was then vortexed briefly to ensure homogeneity, and 50 SP:SAMPLEPREP_SUMMARY microliters was transferred to a clean microfuge tube. Immediately after, the SP:SAMPLEPREP_SUMMARY plasma was treated with 100 microliters of ice-cold LC-MS grade acetonitrile SP:SAMPLEPREP_SUMMARY (Sigma Aldrich) containing 2.5 microliters of internal standard solution with SP:SAMPLEPREP_SUMMARY eight stable isotopic chemicals selected to cover a range of chemical SP:SAMPLEPREP_SUMMARY properties. Following addition of acetonitrile, urine was equilibrated for 30 SP:SAMPLEPREP_SUMMARY min on ice, upon which precipitated proteins were removed by centrifuge (14,000 SP:SAMPLEPREP_SUMMARY rpm at 4 degrees C for 10 min). The resulting supernatant (100 microliters) was SP:SAMPLEPREP_SUMMARY removed, added to a low volume autosampler vial and maintained at 4 degrees C SP:SAMPLEPREP_SUMMARY until analysis (<22 h). SP:SAMPLEPREP_PROTOCOL_ID HRM_SP_082016_01 SP:SAMPLEPREP_PROTOCOL_FILENAME EmoryUniversity_HRM_SP_082016_01.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Date effective: 30 July 2016 SP:EXTRACTION_METHOD 2:1 acetonitrile: sample followed by vortexing and centrifugation #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The C18 column is operated parallel to the HILIC column for simultaneous CH:CHROMATOGRAPHY_SUMMARY analytical separation and column flushing through the use of a dual head HPLC CH:CHROMATOGRAPHY_SUMMARY pump equipped with 10-port and 6- port switching valves. During operation of the CH:CHROMATOGRAPHY_SUMMARY C18 method, the MS is operated in negative ion mode and 10 μL of sample is CH:CHROMATOGRAPHY_SUMMARY injected onto the C18 column while the HILIC column is flushing with wash CH:CHROMATOGRAPHY_SUMMARY solution. Flow rate is maintained at 0.4 mL/min until 1.5 min, increased to 0.5 CH:CHROMATOGRAPHY_SUMMARY mL/min at 2 min and held for 3 min. Solvent A is 100% LC-MS grade water, solvent CH:CHROMATOGRAPHY_SUMMARY B is 100% LC-MS grade acetonitrile and solvent C is 10mM ammonium acetate in CH:CHROMATOGRAPHY_SUMMARY LC-MS grade water. Initial mobile phase conditions are 60% A, 35% B, 5% C hold CH:CHROMATOGRAPHY_SUMMARY for 0.5 min, with linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3.5 CH:CHROMATOGRAPHY_SUMMARY min, resulting in a total analytical run time of 5 min. During the flushing CH:CHROMATOGRAPHY_SUMMARY phase (HILIC analytical separation), the C18 column is equilibrated with a wash CH:CHROMATOGRAPHY_SUMMARY solution of 0% A, 95% B, 5% C until 2.5 min, followed by an equilibration CH:CHROMATOGRAPHY_SUMMARY solution of 60% A, 35% B, 5% C for 2.5 min. CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap CH:COLUMN_NAME Thermo Higgins C18 (50 x 2.1mm, 3um) CH:COLUMN_NAME Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, Product CH:COLUMN_NAME #17126-014005 CH:FLOW_GRADIENT A= water, B= acetontrile, C= 10mM ammonium acetate in water; 60% A, 35% B, 5% C CH:FLOW_GRADIENT hold for 0.5 min, linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3 CH:FLOW_GRADIENT min CH:FLOW_RATE 0.4 mL/min for 1.5 min; linear increase to 0.5 mL/min at 2 min held for 3 min CH:COLUMN_TEMPERATURE 60C CH:METHODS_FILENAME 20160920_negC18120kres5min_ESI_HILICposwash.meth CH:SOLVENT_A LC-MS grade water CH:SOLVENT_B LC-MS grade acetonitrile CH:METHODS_ID 10mM ammonium acetate in LC-MS grade water CH:SAMPLE_INJECTION 10 uL CH:ANALYTICAL_TIME 5 min CH:SAMPLE_LOOP_SIZE 15 uL CH:SAMPLE_SYRINGE_SIZE 100 uL CH:CHROMATOGRAPHY_COMMENTS Triplicate injections for each chromatography mode #ANALYSIS AN:LABORATORY_NAME Clinical Biomarkers Laboratory AN:OPERATOR_NAME Vilinh Tran AN:DETECTOR_TYPE Orbitrap AN:SOFTWARE_VERSION Xcalibur 3.0.63 AN:ACQUISITION_DATE 4/25/2018 AN:ANALYSIS_PROTOCOL_FILE EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf AN:DATA_FORMAT Profile AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:ACQUISITION_DATE 4/25/2018 MS:CAPILLARY_TEMPERATURE 250C MS:COLLISION_GAS N2 MS:DRY_GAS_FLOW 45 MS:DRY_GAS_TEMP 150C MS:MASS_ACCURACY < 3ppm MS:SPRAY_VOLTAGE -4000 MS:ACTIVATION_PARAMETER 5.00E+05 MS:ACTIVATION_TIME 118ms MS:INTERFACE_VOLTAGE S-Lens RF level= 55 MS:RESOLUTION_SETTING 120,000 MS:SCANNING_RANGE 85-1275 MS:MS_RESULTS_FILE ST001004_AN001715_Results.txt UNITS:Peak Area #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples nist1_2 q3June2014_1a_2 chearplasma_1a_2 chearplasma_1b_2 C-1G4M2-P-00_2 C-1FYU9-P-00_2 C-1G9V7-P-00_2 C-1G1G8-P-00_2 C-1G850-P-00_2 C-1G8A4-P-00_2 C-1G108-P-00_2 C-1G306-P-00_2 C-1G9J3-P-00_2 C-1G900-P-00_2 C-1G6J6-P-00_2 C-1FYH8-P-00_2 C-1G652-P-00_2 C-1G967-P-00_2 C-1G181-P-00_2 C-1G0G9-P-00_2 chearplasma_1c_2 chearplasma_1d_2 C-1FZY9-P-00_2 C-1G5P4-P-00_2 C-1FXC0-P-00_2 C-1G6A6-P-00_2 C-1G7U1-P-00_2 C-1G033-P-00_2 C-1G3C5-P-00_2 C-1GB35-P-00_2 C-1G0N3-P-00_2 C-1G579-P-00_2 C-1G470-P-00_2 C-1FX76-P-00_2 C-1G8Q9-P-00_2 C-1G1P8-P-00_2 C-1G1R4-P-00_2 C-1G6T4-P-00_2 C-1FXR7-P-00_2 chearplasma_1a_2 chearplasma_1b_2 q3June2014_1a_2 q3June2014_2a_2 chearplasma_2a_2 chearplasma_2b_2 C-1G397-P-00_2 C-1G199-P-00_2 C-1G8P1-P-00_2 C-1G9E4-P-00_2 C-1FY00-P-00_2 C-1FYK1-P-00_2 C-1G6M0-P-00_2 C-1G2W2-P-00_2 C-1G124-P-00_2 C-1G363-P-00_2 C-1GAV9-P-00_2 C-1G4F7-P-00_2 C-1G6L2-P-00_2 C-1FYC9-P-00_2 C-1G3D2-P-00_2 C-1G1N2-P-00_2 chearplasma_2c_2 chearplasma_2d_2 C-1FYY0-P-00_2 C-1G785-P-00_2 C-1GB19-P-00_2 C-1G405-P-00_2 C-1G678-P-00_2 C-1G9L9-P-00_2 C-1FZL8-P-00_2 C-1G330-P-00_2 C-1G041-P-00_2 C-1G4E9-P-00_2 C-1G7H0-P-00_2 C-1G8X3-P-00_2 C-1FXX3-P-00_2 C-1G5S7-P-00_2 C-1G6V0-P-00_2 C-1G876-P-00_2 C-1FXD7-P-00_2 chearplasma_2e_2 chearplasma_2f_2 q3June2014_2b_2 nist2_2 Factors HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Study HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control HRM_Sample_Type:Quality Control Oxalic acid 2495567.3 6795751.7 5269352 5971730.1 1090332.9 858061.2 955813.4 1125231.7 1194365.6 1117453.8 799654.6 908419.2 1123090.6 955562.6 1171822.3 1173423 1006148.7 1039711.8 1013957.8 1110507 8521250.1 6209171.1 816402.1 1003405.6 1061201.6 1050483.7 1041275.5 996405.7 1181435.6 851013.1 1041406.2 1062106.5 1192378.8 1269557.5 1160784.5 1424811.4 1416954 1271288.8 1133914.5 8831736.1 7538819.7 7465919.4 7463140.5 6988774.6 7503746.8 874975.8 962364.9 1012486.8 1075822.8 1156053.3 1321754.7 1276807.8 1312355.8 1310758.4 965597 1532454.3 1306119.4 1152153.6 1409504.4 1267333 1277072.1 937413.1 5714950.4 940210.8 1183795.4 1205894.9 1166078.1 1188542.5 1235333.8 1160618.5 1284376.2 1204036.5 1289393.9 1274563.2 1010331 1197179.6 1420516.7 1412982.6 1195882.9 960047.5 9004669.8 7758659.3 6658572.3 607455.8 Ketobutyric acid 27609404.5 22119886.2 32318003.4 31200706.9 20494618.3 22512269.4 0 25509248.6 26063735.6 22617615.8 0 8586386.6 22624808.4 7274317.9 7976487.8 23023785.9 19937334.5 28844394.9 0 19006930.1 37939380.9 18473055 28625009.7 25893810.5 27222365.9 0 21165415.9 0 25318485.8 19895788.3 21270720.2 26056250.7 29254387.2 20036971.9 23679032 28630830.9 0 24734517.1 25534467.7 47853453.4 47035967 10332721 4029783.9 23047841.8 44369319.9 0 30027621.4 16992573.5 12661301 2288274.3 16545142.4 17167288.7 27064139.5 19876648.4 19414045.8 21975292 0 31132141.8 33543996.5 14259173 8354879.7 27758191 35988285.8 34985822.2 5652489.2 12261805.8 41980779 9009782.8 37602276.9 11980962.7 32906829.8 4537737 27807786.2 21411071.1 27262426.8 21196641.2 26881671.8 3749382.2 37428842.7 13581681.6 12237609.2 27624195.4 18408186.3 37033521.9 Serine 4986281 4260202.7 3955299.8 3870196.3 7074970.1 4293452 5205506.4 6885957 7537527.8 5007545.6 6964609.4 4736957.9 6723951.3 5805112.5 1851149.9 6679006.5 5878525.7 5170454.4 6101589 7399763.6 3742263.9 3351530 6348653.1 6226177.5 3201593 5877324.2 5501682.3 5969926 4940074.8 7192002.6 6127625 5973496.9 7097233.3 6680766.2 7121838.6 6743295.4 6284445.2 6408819.2 7579445.2 5744563.7 4764007.2 4121027.9 4570436.4 3573372.7 4018601.3 6671253.5 6315142 6180634.8 6306160.3 8627892.1 6011506.5 7980625.8 4492499 8283343.6 7808872.1 4707681.1 5638891.5 5080576.7 5547584.7 6303498.5 5517186.8 4802094.1 3204441.5 5461571.9 6089206.3 5268633.7 7413507.5 5746294.8 5767301.1 9646315.5 5318992 5588025.6 4779707.5 5433670.1 5037884 6628003.3 6303834.7 5053330.1 6426814.3 4537923.5 3732356.4 3497652.7 4503731.6 5096394.5 Glyceric acid 8298580.4 14554013 10618200.9 9734652.5 11522006.7 9722775.9 14840633 14473555.9 18111299.1 11350772 19611285.1 18002744.6 17585519.4 23240648.4 25204382.1 41013382 22225173.6 28100786.7 22551118.3 29729282.8 11012500.3 11474438.2 38443142.6 28993108.6 25122288.4 29964949.7 26484448.7 25637608.4 47643359.4 15102693.7 14224327.2 30513766.4 38894208.7 47005690.3 49037519 73333639.9 50917518.2 43091646.6 41142750.5 11668814.1 11334045.4 13427410.3 10491236.5 6949774.6 5221540.7 35424866.3 40531254.6 30450339.2 36539824.6 26537602.7 42773115.2 49471892 39321819.4 47717224.4 12713234.1 63648521.8 32761430.8 21235823 28693500.2 32905248.6 40082121.4 5223867.7 8231952.7 24998190.4 35135805.7 34475631.9 58695916.3 17690182.5 32079521.9 31855418.5 31035246.9 23126144.5 39490432.1 27515542.4 9015373.8 29330237 34052165.4 31561179.1 18870155.3 13001230.4 5796122.8 6005941.6 8517396.4 4987780.4 Creatinine 7802113.2 7838906.1 8298093.8 9035932.3 9197199.2 6347987.3 4642061 5506648 6911009 6675731.7 6996999.4 5762082.3 10773152.3 6468878.9 11809665.7 6867942.4 9069497.6 8462250.2 4743431 5614632.7 8288932.5 7936830.8 4909907.6 10348036 7809299.2 7476014.7 7710284.4 10407194.5 7889587.2 11933135.9 5491601.7 6149838.2 6591613.6 7723434.2 4683381.6 5991981.7 5608156.9 7508640.4 12285649.5 7430595.8 8638114.5 7609352.6 9053752.1 7707680.6 8329390.7 4742339.7 6097033.3 10367553.2 6491975.5 13038448.8 4550199.9 8063575 7747175.9 6042376.9 9400952 4780399.3 5096227.8 7894290.3 6750234.9 6689142.1 11613909.8 8864404.9 8474916.1 8242995.2 5263568.3 6239272.1 4956958.6 9353466.6 8229650.9 7620243.1 7983007 9888189.7 6255695.9 5374013.2 9622969.7 8816602.4 5459601.8 6535492.8 7282874 5007166.1 8684160.2 8837283.3 7990599.4 6927491.3 Proline 1215648.8 728380.2 779831.2 1881301.5 1047486.1 1156825.8 868628.8 957544.8 901917.2 2359040.2 1029068.8 895704.9 979191.4 995192.1 1003372.9 982616.3 883843.7 1389909.4 1714016.8 1090206 2744094.3 914861.9 1358695.8 835318.4 809481.2 815987.1 799889.2 861388.2 863458 1085258.7 902080.6 1186723.4 1356938.8 1237272.3 1197524.2 1446659.6 1257388.5 1400125.9 1198505.4 1575829.8 974631 1065736.9 1038484.7 1056694.8 933783.2 990142.9 1063613.1 1560249.9 1248125.2 1199450.9 1160855.5 1418826.8 1274163.9 1167687.7 1458296.4 346036.9 1366470 1292812.6 1259233.7 1037593.4 978286.3 1060162.9 2489051.8 917744.3 907180.6 1251396 1496856.7 1455232.9 983693.3 972459.6 977658.3 1017772.9 809269.2 881382.3 835551.2 869959.3 1157068.9 1045809.6 1209307.5 899647.4 844741.9 991274.6 891038.7 2847554.5 Ureidopropionic acid 2903109.5 1547244.1 971527.3 775017.3 6027259.3 2771789 5382895.4 5326893.7 7663053.3 3161739.9 7022662.6 4703379.7 5322717.7 5759829.6 4884724.1 7384986.3 6255620.5 4879756.1 4698224.9 5049028.4 1705075.3 1830099.8 5409126.4 5923233 4302060.1 4751418.1 3397164.6 5934288.8 4733241.2 7201251.8 5666964.8 5201701.5 6762997.7 5914097.6 6999952.1 6840826.1 4831209.5 5637800.4 6710930.7 1931857.7 1619817.3 1028089.5 2667840.5 1155676.7 2445062.4 5321498.2 6879552.5 5402965.1 5668027.2 6247185 5529581.2 7210770.8 4197481.5 7282541.3 5720808.5 1672093.9 6523533.1 3505153.5 6010045.5 9983557 6454489.8 1834950.3 1782435.7 5574952.6 5619453 2105142.4 7126614.4 5804942.1 5487728.6 5340524.2 4972137.9 5280164.7 4798996.8 4935856.9 7256823 6284346.4 5715630.2 4110458 5372043 2240895.1 1284394 1721881.3 1453080.2 4045964.1 Malic acid 21530924.9 25789119.2 9833522.4 6878054.4 16250665 9835012.5 7442650.2 8750024.6 6849192.9 5772116.2 17082066.1 8415755.8 11244580.8 10112115.7 6805922.7 12887388.2 7086188.3 5112249.4 6586532.9 9054480.5 9300170.8 8444213.9 5584470.5 8133524.4 8390283 11702495.9 6292859.2 6786373.3 8894758.5 8454887.1 8775009.1 7755681.5 10026313 9372948 17557012.6 9684622.4 8898576.8 7728454.7 6946585.7 16597143.2 16531072.1 45222214.8 36640235.4 12439959.3 11757089.7 6129164.6 12558202.9 18487420.8 7370369.8 10908361.8 7237846.6 8118160.1 5341398.7 10644970.9 9099606 8311597.4 14539109.4 13467172.5 5915717.4 20298363.6 16399998.8 13135048.2 13164129.3 7457520.9 12206111.9 5124002.5 32093121.7 7324974.7 11719664.6 8210522.5 4387217.1 9301799.8 12552920.6 6484242.6 4744152.2 10139342.5 7418833.4 16090518.3 6751156.6 4949141.1 9246640 11314918.2 32126583.5 5952093.2 Phenylacetic acid 21141939.1 0 23059230.8 22816209.9 13050239.9 0 23144552 22095951.3 22038963.2 25434244.5 30652212.3 30686218.7 15063927.9 25410586.9 33559641.5 20292245.7 26702732.6 29885972.5 24393502.9 25839245.9 26133189.2 25557911.5 31259131.2 26929407.2 26643399.6 0 15960706.8 29989944.4 15352565.2 27401087.5 27217681.9 28905394.2 27089467.4 27413162.8 31247837.1 32208526.5 30916937.1 29027129 28621929 26614534.1 28256859.8 25602140 25189350.8 25067954.1 3949066.1 5110693.5 26467293.6 28350286.5 17040574.2 26516378.3 19723459.6 27286852.9 27738679.6 28349408.2 28367141.3 29315798.9 28632445.3 3145888.2 19749202.8 3222727.8 29128173.4 3486103.4 25831315.3 29609364.5 30590962 30828118.3 31278809.9 30759008.3 30182484.6 31855208.3 32390750.5 22223739.6 3168368 2983707.1 31179976.1 29890344.3 30818313.9 32599379.6 32075581.7 31555864.3 28539502.1 27341510.8 28887261.9 28468503.1 Hydroxynicotinic acid 720541.3 638990.9 618997 597576.7 639517.2 604102.3 572421.1 568067.3 565659.7 569075.7 575299.6 576472.5 574427.6 464766.1 582686.8 490330 572783.8 576986.8 279982.7 547247.9 551179.7 535707.4 524233.5 551721.3 547213.4 583794.8 598593.2 570328.8 583760.3 561573 595241.4 618161.1 671805.7 576539.9 548531.5 590765.6 600801 596734.4 581254.8 606574.1 180155.3 633713.7 459807 529406.8 587981.1 555968.2 710222.4 514304.9 545667.8 801896.5 550898.5 575741.3 614078 527913.7 553256.3 566231.9 532157.1 511605.2 520821.8 537076.6 516057.1 426719.4 567964.2 561123.8 552039.1 582725.9 633661 549523.3 592149.4 580476.9 588344.4 567585.6 605776.6 563966.1 603510.8 496889.6 579688.9 588076.2 630138.1 555229.3 573260.9 656185.9 602638.5 482370.2 Caprylic acid 47228393.2 137446435.8 3166821.7 2880657.4 3969394.6 3815190 1832559.5 7808133.5 12242288.1 2347755.5 1951345.3 3316890 1925136.1 1711382.1 5679239.2 3201465.3 2325159 5478114.4 2931827.6 10542447.3 2812250.9 3019541.6 2452453.3 13695523.9 2206047.6 2257515.3 2884477.6 3268313.9 1197885.9 2457504.8 1804886.4 6830907.8 2288406.5 2254609.2 5702817.8 4437506.7 2602589.4 3660385.3 3116849.4 2903599.4 4132065.1 131437881.5 142130669.4 6308524.6 3095071.6 3383556.2 3777785.5 5149754.3 6564919.2 2513717.9 2278330.3 2474280.8 2452698.2 3058533.5 3051311.7 2903729.4 4835070.3 2784223.6 3236794.3 6071274.4 2642332.2 3791670 3332667.9 2312971.1 3476739.1 3473753.4 4252595.3 2947385.2 4228692.2 3070703.9 4557848.9 5028518.1 6513734 4881356.1 2188797.4 5447963.5 2788889.7 2206651.9 5249451.4 2608356.5 4546691.7 4552900.3 137307923.2 46137727.2 Oxoglutaric acid 11914410.5 21956361 27827356.2 27231962.5 14831714.3 13226965.4 14168484 12748373.1 11035686.6 12734397.8 22903314.4 17244431 13441711.3 16754821.6 13627072.4 16424345.5 9829430.6 8739456.2 11088471.9 14013677.8 30732209.8 28952921.4 11651302.6 12443826.2 12459567 18087551.8 9775292 11271442.4 11925956.4 11087216.7 14144746.9 13071549.6 17966764.2 13137737.3 17855518.4 13345543.5 14825459.1 10586563.9 10198607.2 33902835.2 36980167.2 30459439.3 28941277.4 34559120.3 33239328.9 9817602.6 15429297.6 14431756.2 15448547.2 13176271.9 15341900.8 12150501 12624545.1 13426506.1 17610449.9 14538025.7 16190470.2 18577186 12373194.8 18834084.5 15813604.7 34898386.6 32063417.9 11132322.9 14750105.2 9076326.5 12775597.2 14353355 14743329 12948569.8 7539843 13813404.7 18793058.5 10022911.9 10226541.6 12954961.2 9134373.8 18656383.3 9326618.7 12162220.6 24914174.3 28481439.3 24659421.7 10170229.9 Glutamine 67903640.9 19085427.1 35925971.9 36533172.8 110067867.5 75770425.1 82580868.8 91959981 80704982.7 78820857 70641455.7 74283006.5 103173468 96709732.1 79454389.9 82669624.7 86470386.7 107199322.5 110405866.3 86873047.1 39241017.2 36465291.4 84235230.9 75870493.5 75570177.4 77555582.9 75538048.5 90149789.2 89868652.1 117927786.2 69448107.2 76725566.3 102802829.7 103029832.4 100812489.9 80626252.9 91985574.2 83922957.4 118957054.8 37213996.8 40536499.6 28224257 29399003.8 39143584.4 37222717.7 103627838.4 115329137.4 129523802.1 101644613.8 126667832.2 81495852.3 96807047.7 103785150.8 121354966.1 89542505.8 76248539.9 95649182.2 81622679.9 75587500 91840536.5 86166645 37768995.6 39352615.5 70821505.7 87218093.9 70065824.9 66953576.9 99205137.6 82392361.7 100702105.3 85321764.5 79935482.7 69797887.4 81040312.9 87105622 81243717.8 98035238.9 74910563.6 73273315.4 65149767.1 34817686.9 38023689.1 28230797.4 62169270.2 Lysine 18699987.4 5028482.4 4743946 3710426.5 0 0 0 0 0 424267.8 1145693.2 0 0 0 0 0 1024188.9 0 0 0 3075135.3 2864845.6 0 0 646046.2 858937.4 0 0 0 0 0 0 0 0 0 0 0 831428.9 0 2904333.9 3079417.5 3540359.4 1062157.2 4343528.1 4275976.4 0 0 0 0 1161536 0 0 1146323.1 0 0 0 0 0 0 1378186 0 4289546.1 4398618.6 1387881 0 919456.3 0 0 0 0 0 0 0 0 0 436481.1 0 0 0 0 4685565.7 4526754.5 2149602.7 1107318.2 Glutamic acid 33431967.3 77282201 35376029.2 29508502.7 16036576.9 16009875.5 17637614.4 22563634.5 22461662.4 36761851.9 53898874.6 25551805.4 19480607.7 18272901.6 31318910.7 16176043.4 16946942.5 12304435.6 10788809.5 29767475.1 36976318 38460820.4 20719212.3 12708286.9 14788174.2 11943480.2 20223554.4 20766777.8 17019562.2 34747942.6 22280509.5 21571009.1 49537914 30183113.2 38103332.2 68653234.2 34923051.6 25105613.4 19534688.7 39586949.8 67226821.2 98042059.1 108198080.2 62596738.2 35399961.7 21182627.4 17869934.8 19408430.8 25498701.8 19424182.4 41262403.4 44590905.3 17964300.7 22504803.8 32352315.9 19743759.7 17821139.9 34730528.6 20002963.8 24897559.6 43907303.1 40955809 36821527.7 27546680.1 27712674 15948366.7 26528279.9 39858361.7 29133004.3 17172977.5 17040604.3 21153291.3 38859370.6 14216717.7 19092300.8 22427725.4 15908502.8 18978510.5 24005322.9 28210723.5 32650408 35920134.4 93592230.5 33946640.8 Cinnamic acid 1899626.8 0 0 1118670.5 416802.9 231711.4 710851.4 892291.1 2747172 0 2410077.3 2745036.1 0 474029.4 2512029 1290792.5 1228548.5 674372.6 1272877.1 2696919.4 3407399.8 1046866.9 257233.6 821985.6 2083864.3 359589.7 918281.5 1965866.6 2043856.6 4254294.4 1682179.1 2116430.9 1792724.1 0 745237.8 1062053.9 2825333.4 222722.1 361310 0 3988553 1030020 5611159.1 0 121251.3 1145948.5 687296.8 1308469.9 1843352.5 725336.2 912557.5 4270496.6 1009084.1 883855.3 0 1890241.4 1129178.6 1982441.5 475617.9 612933.6 2712983.5 731200.7 3300591.1 1213773.8 440951.6 770601.4 2203167.7 3586526.9 1163832 381239.6 1197995.6 1015706.4 3033147.1 254266.5 567859.6 2325644 1192581.4 2942878.1 732141 645954.1 144088.4 523878.2 2068672.3 760137.3 Methionine 3299423.3 4100109.5 3522379.3 5279506.8 5464161.9 2942737.8 2643009.9 5498152.5 10515354.1 2617658.3 2598581.6 4355075.1 4362131.5 5302534.3 2899881.8 3025447.6 3614682.8 4273062.8 3024390.5 3755619.3 4048857.2 3809915.8 3176550.4 4318249.1 4964719.6 2803829.3 3098487.9 6195085.5 2823163.1 6499694.2 1878303.6 5609680.2 5034763.8 3864773.7 5981338 5474872.1 3056597.8 4027023 2806126.9 3875112 4417578.3 4375380.9 4032846.8 4172910.9 4025111 4581630.1 3184049.5 3320817.3 3997480.3 6002055.9 3247816.9 12240636.6 2680643.9 4921538.6 4289691.9 4349558.5 2564933.9 3720500.4 2979766.3 4597822.1 5335262.9 4770370 4222216.8 3902006.1 3987471.2 2781140.8 4391274.5 3682786.1 5594341 4312189.2 4412680.2 2630434.6 3091031.7 2333539.3 3363116.3 4093449.3 5448193.1 3492092.4 2995621.2 3251073.9 3992698.6 3888049.1 3674421.2 3115036 Xanthine 3026174.9 2483084.3 3114615.9 2544005.4 0 553376.9 6854789.1 5131164.7 3199005.6 2071378.7 4874556.4 2240837.1 4353884.7 1497298.5 2309638.5 1790002.8 7964697.8 5305869.5 5779453.9 859672.9 1702346.7 2708833.3 6954773.1 5225159.3 7410741.5 3796751.7 0 0 3437611 3374260.4 3418232.5 3689745.9 2636244.3 1368494.3 2782136.1 1351976.9 2736836.9 4206863.6 10457472 2031551.7 3277430.4 2661260 2432876.1 3756557.8 2318384.2 2253957.6 2368567.6 4446417.7 3156098.6 1929831.5 1976477.3 8407436.4 1625448.7 2070066.5 2586919.4 0 0 876379.8 0 8105694.8 4984503.1 2838715.1 3838207.3 1835340.2 7710999.2 2180147.6 6038137.7 2400888.1 1768478.5 2133658.8 4001631.9 3915042.6 3240508.2 4195791 3773066.3 5301778.9 3189530.3 2276621.7 2305022.2 5280918.2 2121802.2 13553649.2 2306694.3 0 Histidine 27820214.2 23405906.6 17707267.4 22091817.1 33727913 30433141.3 29738868.8 35858506.1 27301740.7 29210239.7 24444619.5 29569977.1 33086082.1 37027145.3 33817384.1 34253925.4 40756345 32983783.6 34757981.9 43334829.2 18698441.8 17228413.1 29617871.9 34686142.1 27328029.1 33235313.4 36851592.6 38327027 25988697.3 42434147 36718459 36482906.9 36518755.2 37859595.5 49605213.4 36118242.4 34866288.6 33327009.8 37905094.9 16570702.6 17767461 25185867.9 28658078.1 15561918.2 15830046.7 31528010.9 32740444.3 35480538.4 37207060 37786277.2 32484739.1 51921709.7 32176839.8 43814644.7 31463742.3 31617392.1 33830288.8 29825620.3 34788617.1 39027440.5 38937258.2 16197247.8 15283365.4 35474065.5 39173252 30020311.2 34877587.2 33077048.5 31166265.1 33712301.9 30851650.3 37216169.8 40580748.2 30896811.1 33067849.5 35849679.5 36892782 31554491 32499564.8 30071637.1 21061662.4 21631590.4 23232661.7 24926417.9 Pelargonic acid 35565442.3 36637491.7 35460981.3 35213616.7 80202670.1 26831702.6 22072474.2 16360943.8 16014397.1 12310425.8 17077232.8 17644872 14250414.1 12198131.5 15639221.2 12136102 18166634 12571140.8 6900351.9 16185019.8 12802113.9 12874778.6 12556974.8 13762794.6 13066840.3 15115940.2 13459874.8 19400306.8 13675539 17647403.1 10974714.7 5947420.1 7345917.6 7168133.3 11034942.9 7857624.8 15963500.2 18398070.7 13566451.4 8807011.8 15825829.1 14845708.2 23514512.8 5983700.7 23633746.8 9796826.6 13029942 11977244.9 16001202.2 6213974.7 15530972.8 18323388.1 12111000.3 3816730.2 13762850.9 5462908 4410695.8 15949551.5 16034293.4 18240918 18112477 26973858.8 21358808.1 14678352 21085848.1 7797400.5 321389 15672127.3 3829971.8 17730738.5 20212040.9 19337432 19351146.4 20496482.5 18440509.5 23851063.1 11669456.8 17316526.9 18112387 4848660 3207181.7 18329479.9 23954586.1 27028136.4 Indoleacetaldehyde 5991686.8 5435560.2 5993647.8 5939382.1 8101947.8 7378409.8 8473597.5 11032733.8 11933806.1 4817903.8 5710788.7 8613839.4 5278410.5 9237153.8 7428681.8 9001885.2 7289058.8 8738125.1 8770375.6 8718741.9 4457934.2 4355847.9 8159329.9 9730854.7 5824395.7 10322265.7 9006975.8 6721406.2 9134632.8 6746761.8 6805977.3 8362298.5 7053477.6 6399923.2 10424425.5 6542967.2 7899477.7 6099048.8 6174525.9 2879441.1 3051321.7 2236332.6 3012699.6 3620668.9 3594143.7 8231365.4 7982356.9 5853155.7 9208622.9 8269853.9 8031917.6 9507097.2 8004791.6 7826129.8 5853277.5 6968379.1 6558389.1 8025555.3 5400096.1 8234784.8 6494377.8 3297730.4 3155130.7 6796291.5 7826214.1 7080442.8 7070631.9 6170573.9 8456875.8 9186671.8 9482286.4 4944861.8 6266841.5 6801876.2 6437252.2 6418144.4 11720434 6850681.5 6859307.4 7864968.5 4930598.6 4545859.7 2957325.9 6965042.8 Aminoadipic acid 661581.9 384598.2 473292.3 454064.7 160976 243991 230276.7 327414.2 302687.1 216167.1 789277.5 575336.4 416877.3 371093.7 265411.7 183046.6 376449.1 282014.7 424813.3 416595.1 213879.1 272586.4 436138.6 532828.2 251873.5 530126.7 308557.7 789408.7 249208.3 367388.5 280194.5 218559.6 539684.4 424506.9 308530.1 410002.9 368581.3 654448.6 131170.5 238709.8 410687.3 205654.9 516779.2 499981.5 538710.3 227872.6 227997.1 265242.6 358811.1 368754.3 352361 444887.9 300814.2 301450.1 293231.7 387991.2 609245.1 503044.1 310115.3 212630.5 182232 505839.1 488241.2 305924 222480.4 351041.9 487118.7 263973.2 171787.3 313665.8 263741.7 658790.8 383280.9 162066.8 441450.7 728270.3 289049.1 292828.5 196930.4 268754.4 309449.5 546421 306090.7 187445.1 3-Hydroxymethylglutaric acid 5674693.3 3679748 9134328.8 9662258.9 11588154.4 9760586.4 9069333.7 7901126.9 9486455.8 7552196.9 4514087.4 10795479 10225905.5 9839187.9 9759870.8 6724083 10924553.4 8477138.2 14095827.1 9214805.6 9638873.2 9726443.3 9222114.3 7968960.2 8872545.3 8837532.4 10083602.2 10745473.4 8143215.1 10204434.5 8629575.3 10590294.4 12645881.3 9439380.2 5852754.7 13023434.6 13397307.2 10129108.8 10459367.7 9653695.3 10616707.5 4119496.5 5280203.6 9283073.2 9159568.9 9805189.5 10317627.3 13163320.7 10139393 11417157.7 7641831.2 11604595.5 10312637.3 8920064.4 11347558.8 10072828.5 9336781.9 7134609.7 10281090.8 9675506 12092898 9945206.3 10723336.1 9271166.4 9959597.4 8094191.8 1347382.8 13227532.6 10511134.9 10509856.5 7132735.8 7952803.9 10839315.9 7354609.8 9530068.7 9612619.7 8495074.8 11217238 7491676.7 15534380 8746178.1 9218124.7 4723610.2 6649142.1 Phenylalanine 32844890 43025944 32558799.5 33815291.5 37982272.4 36400793.4 27375042.6 44995460.8 57659056 29720310.4 44108626.7 47381913.3 31459542.2 47034199.1 39714944.6 41881188.4 36057299 46800252.6 39407289.7 38702828 33819478.7 33410514.4 42790743.8 41679005.2 35999821.3 32063918.5 39649980.3 48586493 30676839.1 40887523.5 37379316.4 57970230.6 38989588.9 32696154.4 58300154.8 52586310.4 26950117.6 35336316.2 33482223 30628197.5 33935969.3 42242744.7 51568336.3 29961154.2 29736660.5 35775650.5 33449021 42281596.2 34540544.7 42814024.9 42701054.5 54058478.8 23606011.8 39986750.3 36558144.1 32338913.3 48362385.4 49177670.3 30964014.8 40331800.4 40103315.1 31157623.9 33263051.6 46481564.2 37276699.2 32361645.9 44545847.3 39379000.6 49093020 37357444.4 37141426.3 35327097.4 42315047.4 30896819.5 41590911 54321397.7 42738066.2 57965858.6 34107991 33907256.5 31897899.8 35770167.4 44383648.8 30576241.1 Uric acid 316049491.3 315801589.8 299094057.5 298077395.2 416198084.8 295958317.8 312151703.6 304083803.3 295846382.4 510436987.7 354087581.9 453039123.5 611254110.5 239039858.7 428645539.6 299030578.1 456213149.2 365360541.4 336274961.1 311436207.4 322760126.8 326374114.1 409952878.1 368075770 494112953.6 174772903.2 281353133.3 403479004.2 242724421.5 619699228.5 396809298.5 324433735.2 582920767.3 505250881.4 314910549.2 416618787.7 355683447.5 473280975 438914192.2 324536074.7 347679551 346818708 367916107.4 302642067.2 312377241.3 295023066.2 404551623.9 563188624.5 391954961 518623725 396777970.9 385191571 277642779.3 262138337.7 664118482.7 354271386.5 371355025.1 521599112.5 424966038.5 357138184.2 486862114.1 324730311.3 296272514.1 326971470 373535978.2 340129471.8 228240156.1 596353202.2 372707888.2 350787549.4 342731633.4 568690321 407429531.1 252435574.3 464062474 466929676.2 260901026.7 389576057.1 387655317.1 328055415.4 275188098.8 309221429 313133826.5 305602476.9 Homogentisic acid 670541.2 625640.1 782795 855227.8 854829.9 514451.5 390608.7 517809.5 515585 1574373.2 665075.1 3933825.6 1244981.1 283002.9 699266.4 514978.8 716390.9 1279193.6 513199.1 660097.4 490262.5 405970 643454.3 916730.7 933992.9 304688.4 506488.9 786181.3 577410.4 1127294.2 816962.8 424510.5 1174535.2 917271 575928.6 741124.8 702978.7 849547.5 2728734.6 451969.2 732746.8 498449.9 921538.4 528722.8 510173.7 547751.3 1107032.7 976931.8 623541.3 803771.6 637733.7 1913642.4 707130.3 500392 1223565.7 3469614.6 620839.4 835134.3 700262.7 537667.9 939508.1 151961.4 581347.1 553409.8 565690.1 568361.9 373696.9 1091546.4 2335621.9 644669.4 550571.7 966444.2 729490.4 497582.2 863844.5 772919.3 487206.9 660513 3666258.1 541360.4 446654.2 563584.3 500874 431986.9 N-Acetylasparagine 148296.1 262675.3 161032.6 189798.1 321808 357025.9 105906 296688.5 143632.2 136484.1 246092.9 242925.3 208491.3 300907.3 131965.8 253600.8 224760 188005.7 105186.6 112820.4 194263.3 198970.3 0 154889.7 171819.5 212982.2 211239.1 185950.8 0 86577.2 237132.1 138952.3 117314.1 226961.8 269810.7 492564.7 118337.8 145251.6 172863.1 255970.4 320890.5 432177 520465.3 279821.6 216154 123575.3 127639.8 186145.8 135287.2 206574.3 170970.8 294415.5 175509.6 130685.3 131759.9 0 182306.1 153940.3 199889.4 187653.1 225756.7 281480.5 283665 268989.4 194243.9 112396.4 108621.4 270731.7 220404.4 217438.6 89874.3 136443 196145.3 102421.5 124816.5 253245.6 0 0 193522.4 233609.7 196247.9 284805.9 415712.1 153631.6 N-Acetyl-L-aspartic acid 838199.3 5778620.6 5944814.8 3305689.7 1546939.3 447406.5 619754.1 1365541.6 509359.6 0 555870.9 605369.6 822623.3 674892.5 4497223.3 835011.7 1866542.2 0 726028.4 991830.8 4618116.7 5047842.8 786729.2 2698093.9 499641 622026.7 426124.8 566662.3 786522.9 449568.7 696416.6 538919.8 610103.6 3181442 928825.5 931188.8 892307.2 652202.7 612362.2 7986937.6 8787725.3 12036089.5 9532736 4153023 7317243.1 147369.2 2374115.8 2439328.3 473279.7 401212.9 1800376 405083.6 274673.2 707821.6 207536.6 447283.3 709771.1 383601.5 3490331.5 2065680.4 1688672 7192195.2 3568084.5 3487292.9 276943.1 67248.5 2894523.5 2937714.4 436459 338230.3 949816.2 169645.8 0 2704454.9 1625150.9 3136925.6 169387.8 266274.6 1292273.2 0 7731143.2 8590994.6 9225714.5 10367.5 Indoleacetic acid 14599960.8 16679331.1 11926382.3 11759150.9 14402246.6 9909481.2 15361848.8 15003822.8 9052759.4 7625452.1 4829181 20136341.4 13009008.6 8237256.9 25205354.6 15064200.5 8205631.4 10899763.3 10895905.7 8206970.1 10915492.6 12325235.7 22904591.1 12655413.5 13205950.3 8168370.8 11964526 17070574.7 9756571.7 16767348.6 12850400.3 11294112.7 21639999.8 13647758.9 19957768.9 16791437.3 11200890.7 10017733 17333321.8 10063570.9 9962790.2 14994829.5 15333320.8 10009769 10127550.7 6430947.4 16064894.9 15783683.9 18910623.9 8318783.6 14639446.1 15514167.6 10378213.1 11316483.4 8982399.9 13730020.8 14833240.8 17957558.4 29283076.5 18426248.2 12844277.7 10363412.1 9750825.9 9054376.1 11757726.1 16632312.8 15322118.9 12123163.2 4457064.9 15162518.1 15622546.4 19505093.7 12969885.1 8127492.7 12144039.9 21290535.2 14195136.6 7811756.2 19649410.5 13515617.4 11034745.1 10268811.3 14318580.6 14489889.4 Citrulline 5318211.9 2264719.5 2365736.4 2381262 5143769.5 1335596.9 3064840.9 2319130.1 1362148.4 3911162.5 2882192.8 3803105.5 3198681.5 6158452.4 2167524.3 4140644.8 3421574 3959331.6 6570188.3 3771506 2919584.6 2575245.7 5145387.9 787952.9 3111132.2 1256113.4 990388.1 4569580.3 1795034.5 2546832.6 3106907 2224258.2 2975023.9 3443726.3 4044160.9 2983480.6 3933690 5443449.6 6111539 2977677.9 3001032.4 2478726 1749671.8 2283676.2 2718027.3 1638606.3 5210885.3 7294643.8 3144328.4 3872080.6 2516640.5 4975501.4 2802728.9 4000699.9 2486877 1574357.1 6133016.7 1439144.9 2099958.5 2385235.8 3474671.4 2321082.6 2206192.3 5134452.4 5654304.6 5131527.9 2618275 2363745.9 4651218.6 3553999.1 3893127.1 4084764.2 5218996.6 4003765.5 1478280.8 5224598 1309989 3527560.4 4794766.7 2254545.7 2496504.8 2586400.9 2262312.9 2716303.5 Hippuric acid 29521241.6 105530365.1 46756281.1 47992861.1 44173513.9 19781293.4 48697749.3 25356564.3 29950447.6 25699205.1 5985276.2 25619512.7 72121075.3 18397721.6 59515356.1 27240004.5 16280763.3 18525977.6 56812936.3 19119506.9 44251069.3 40720049.7 36475435.1 19589321.4 66467359.3 37028882.8 16200029.8 29404782.7 34821261.3 3137404.6 17051563.3 24328025 8851825.5 42931245.7 47529506.5 90622879.2 16507318.2 36692971.3 14489815.8 43415014.3 44868948.9 134332250.7 124307607 39999985.1 38413552.8 16490140.7 32066044 40975464.1 33553705.4 8589419.5 17074805.8 46236020.9 19978462.3 35958895.6 7128151.5 80795633.6 67323079.9 59557046.1 23569439.5 18597437.2 10208900.6 37337589.3 37408656.1 43169237.9 24266717.1 49676360.3 8375091.4 29972049.9 32477783.1 28486575.2 35896982.1 34161536.6 41541774.3 82150241.4 115322628.6 81936864.3 33661184.8 6506177.7 33271296.3 6525945 30407429.1 39487280.1 106371906.2 33698995.1 Tyrosine 19208517.9 25022637.2 23227383.2 23187654.1 33567530.7 23680237.5 15908520.5 33692363.7 48565014.3 17004429.7 42536164.4 37333972.9 21044046.7 32245429.1 30397870.8 22616436.5 15994950.3 35342720.9 27265265.5 26373688.8 21805861.5 22703085.7 24130564.7 30188642.9 23831018.7 18425681.1 28114963.2 43870988.7 24917824.9 36219874.3 21319102.9 34444227.8 37249923.7 22594623.1 47738340.1 37643201.9 25720306.8 30017123.1 15285572.4 20529714.8 22748741.3 25292454.7 35811213.9 18965176.6 19798789.6 30302287.9 24648724.4 22770573.6 23923003.6 28074025.3 39743686.6 41289328.4 19112960.7 23553692.7 32190919 19406251.7 21689323.1 42504884.6 24380390.5 31990797.5 22937008.3 20804426.5 20280231.6 36654906.9 36218889.2 24448478.8 26655489.2 30846821.1 35931300.7 33126404.7 46210222.1 20770951.9 26474151 15023821.1 21359720.8 30884997.5 33620651.4 18018766.9 28593045.7 31151887.1 21017117.4 23681515.9 24652567.9 16920075.1 N-Acetylglutamic acid 738589.1 568292.5 0 6640488.3 437527.1 2712220.2 2405236.7 409837.2 12054470.6 235298.8 427862.1 475906.7 433313.3 395238.7 0 469500.3 409442.1 0 394470.2 434041.2 6610494.9 6308627.5 575118.7 397248.1 362686.4 423874.7 0 10754604.5 391473.1 376155.8 410700.3 463635.1 422153.8 408345.4 435416.6 7683842.1 465583.3 509574.1 372128.7 5516910.8 3441268.6 7372282.6 5307410.3 3651450.2 3363208.9 0 7587065.7 110192.2 58526.7 0 0 69406.3 0 6632111.3 0 308326.9 29612.2 0 8975108 4323503.9 56285.5 3645369.5 3667824.3 0 0 0 0 0 1384236.3 220005.4 3117672.9 3302.3 0 5737332.9 0 0 13438.3 0 0 0 7117781.9 4462738.5 8179733.8 0 5-Hydroxyindoleacetic acid 0 2865496.1 0 4036378.6 1022886.1 1805837.8 1083056.7 0 2098631.6 0 0 0 0 0 2683220 2587475.6 0 2459337.7 0 1757704.9 0 43813.9 2311663.4 1056451.2 1147968.8 0 2275376.8 2429589.5 1953673.6 0 1131980.1 1808636.5 1342105.9 1096492.7 1741074.6 3361661.1 0 0 2095168.5 0 0 0 4331188 0 0 1860450.2 1616696.6 1625838.6 1776365 1657605.3 1790158.1 1766526.3 0 3304028.1 1939188.6 2060426.2 2098837 1536923.6 1332495.7 2465289.9 1619371.6 0 0 1425650.6 2267875.7 1408621 1406441.1 2188452.4 1509402 2294204.4 1410438.5 624160.6 845263.9 1018879.4 2416546.9 1611597.1 813987.7 2909939.5 672792.1 1012306 0 2907490.3 4174337.4 1185477.1 Quinic acid 1426309 713557.6 559578.8 702826.6 456693.6 1030844.7 273133.4 1080231.6 1312094.9 648420.1 333638 481800.9 538541.1 1011858.5 351867.6 556397.5 499146.3 413025.4 202425.5 1081045.8 556883.5 500236.3 922780 389312.2 432334.5 886132.8 349603.9 397158.8 266328.8 961119.2 842369.5 820342.1 536542.9 342365.6 471793.1 557487.6 941444.3 868856.3 1030233.3 719910.7 561949.1 1066077.9 785755.9 705361.8 580550.7 846256.8 347089.2 1047172.3 529671 1197063.7 361794.4 800646 285972.2 1043394.6 286010.7 352038.4 1052528.7 398471.4 803117.3 1003155.7 639715.3 743760.1 345519 1070176.9 1022032.3 1112918.9 596459.3 491981.3 1030039.1 291508.7 592110.8 86420.9 295915.9 375820 268004.4 1224377.4 324521.6 1061119.9 624859.9 975684.1 774037.9 700949.8 857890.1 429390.4 Ferulic acid 1482000.4 122229.9 2989852.9 2701933.2 464913.7 540148.6 488508 1209331.9 0 4828.7 7541.4 40348.2 880763 126551.7 1402130.4 0 1501326 0 811358.2 384803.1 1832018.1 2376507.8 0 1231091.8 363624.8 623981.6 436955.5 0 893761.2 1734102.8 1328533 1181029.9 0 753262.6 0 0 173070.4 68458.3 516431.2 2900339.5 3870548.7 57236.2 1048903.9 1902271.2 4383453.3 122123.4 0 1168266.6 0 0 1006075.1 211998.9 1039041.5 114887.8 193950.9 1326335.9 881422.7 1094277.5 0 224926.8 921062.3 0 1372338.3 188864 147433.7 145798.4 134639.5 1241887.9 849076.2 597220.6 506885.1 479711.1 0 748420.6 2140938.7 1620883.8 1147844.2 472370.6 668224.9 418654.5 119090.5 5033914.5 176223.7 1851919.9 Dodecanoic acid 33818505.9 22579715 43130790.6 41671271.7 13537257.9 19403499.6 22964652.7 45085929.2 36668327.7 67212552.1 18039988.9 53355041.3 22174451.9 4702556.8 39550895.3 8637375 59872773.2 68517831.2 37407856.9 10819726.1 39986076.4 38444830.8 80737161.3 156752573.5 32388728.3 11150562.5 14910027.5 12902936 9455804.1 21487496.4 9206011.7 77314180.2 48574188.5 52790617 60705634.2 43096841.2 47249420.3 59237203.5 58059943.2 40277175.1 37883117.6 20438834.3 27314215.2 40377793 40071064 81572153.5 86574576.7 172714866 54707254.6 40463357.6 24171140.6 14007993.2 41173765.7 19582870.7 42760734.2 23347330.2 21696357.2 21398495.2 19338779.2 23967139.6 24733327.5 40783939.9 40638190.3 15326096.7 32862724.3 62324761.2 67522782.7 27075600.1 14624859 57979132.5 33728021.8 24346792.7 28593398.9 15428781.6 7542950.8 19846783.9 38810871.1 15039041 81771803.8 25893809.6 42108557.4 41806609.9 27184080.2 38522960.6 Tryptophan 45816665.9 51602592.4 49095084.1 49172999 59644044.6 56200772.8 63297978.1 86792529.5 94626352.6 47072092 66159668.3 77125137 61034416 70870688.6 58275392.6 69892495.8 64240750.8 74726776.4 69378414.2 68998563 49047536.5 50144204.7 72380359.4 89023154.5 60740855 75846430.4 68794466.1 61907636.3 72165519.6 77211769 63185155.9 73486774.6 83429338.7 66428788.6 109669676.6 69971288.2 73318241.9 61586828.3 56264414.4 43012826.4 47395763.5 51657810.5 59042420.7 44860894.4 45848599.8 56659854.9 70922688.3 64915553.8 77351939.6 87553541.7 71810364.6 88690634.9 56076469.9 56960974.2 74793148.3 58641855.1 62384743.7 95200255.4 59184180.6 75991434.2 68734778.2 46474046.2 46308206.9 61392804.7 77214679.9 58819384.6 78643116.7 73460336.6 69722123 68965058.4 82763453.8 51809132.8 59280670.6 53492986.6 69842866 73459407.6 89661799.3 64129062.4 64600574.3 70117525.9 46490531.9 50209099 47687719.6 45704789.4 Myristic acid 371348593.7 148329173.1 410839648.4 379691169.7 83047965.1 144196508.4 83966471.7 270672631.9 266551094.5 631864935.9 206167915 392319994.3 169442961 44032222.1 111250779.1 66486689.1 315216470.1 494519588.9 312679687.3 52661471.7 345047510.8 332546923.7 401364869.2 309170147.6 152527725.7 71130831 98399603.1 107241519.9 73246566 164528698.9 61930802.1 584103422.7 381469902.3 467650117.8 409467705 236451420.9 285331476.1 335029749.8 341319480 351623554.2 357875598.8 111815506.6 152714788.2 338644279.1 332459963.3 591847036.5 501030347 784648170.2 136418205.6 192083352.2 249027795.8 79425955 281548773 115744017.6 384348216 142281583.6 75105832.3 149934840.2 122979463.1 165217448.6 132414702.4 337922345.1 338159710.8 116752049.6 252672189.1 397753059.3 706232428.1 233943578.1 122374611 363394115.8 209027488.2 127254527.2 304168647.6 103044807.9 59916399.1 156037476.1 255088439.2 178436614 548134600.7 253773183.6 357889228.4 354043255.1 155464605.7 310991239.5 D-Ribose 5-phosphate 149819.7 211720.9 114267.6 175952 0 438073.6 0 0 0 1908200.6 1132244.9 0 0 841323.1 1099664.9 222792.8 78909.2 72098.6 1542450.9 513555 148893 378998.5 0 0 73826.3 0 150142.5 575353.9 0 1367793 92118.5 975051.1 0 81214.3 78804.2 117250.5 0 66802.1 406275.2 135639.6 214372.2 189649.4 211337.1 177579.2 207424 496975.8 118484.1 169823.8 122333.8 152241.5 0 0 190180.7 390735.5 1523575.3 95732.7 0 132839.3 102526.5 0 169949.9 1736292.2 186844.6 0 0 0 191947.5 107813.2 115488.1 0 1055443.4 997183.2 96585.2 837586.5 0 0 866583.9 129163 84597.8 1244283 168073 192307 267684.4 216868.6 Cystine 2111176.9 526833.6 1145239.3 1296036 4413356.4 4323942.8 3057513.4 4051656.3 3317240.6 8116249.6 3774171.2 4166651.7 4654608.6 3085825.4 4384399.3 3141604.9 5571853.8 3652497.5 5047674.9 3562982.2 2300654 1308460.9 3057388.9 3805875.1 3598533.5 3071019 2499890.1 4314923.6 4886657 5013299 2337393.5 12293437.1 5943840.4 3895795.4 3778818.6 3307041.1 4189322.7 3552152.5 3143226.8 1379210.9 1624602.8 2632286.8 1441218.4 1074257.6 1721169.7 6625212.3 6572680 10809414.3 4988110.2 4302704.1 4604851 3559303.5 2810995.7 7727387.1 7093105.4 3037225.1 2823045.5 4211069.9 4127808.5 3785676.3 4418432.1 1984290.9 1193152.2 3926084.4 5425185.7 4446553.5 2921024.5 4352765.1 3097486.7 3608129.3 2812174.9 3425579.5 3816137 3258828.9 2243301.9 4617595.2 2068812.9 3940866 4782044.2 4232465.5 0 2201851.7 2689004.4 2514983 Uridine 2813759.9 3752724 3577768.7 3190603.8 2877257.2 3852684.5 5126356.4 5604163.6 3226521.4 3707596 5518725.6 4341680.9 4015714.8 4136450.9 3831698.2 3704155 4030372.8 4352420.1 4771600.3 3864180.9 5206975.6 4088598.1 5267862.1 5203679.5 4461427.6 4757398.5 2956549.9 3638973.7 4691458.9 6363233.3 4278239.1 0 6390673.2 5691563.2 4422942.3 0 5205736.5 3510746.2 4627614.3 2607121.3 2625122.7 4110573.8 3454014.7 2657831.5 2834473.3 5499991.8 4383828.1 5438920.6 4783053.7 4940281.4 0 2670178.4 3679074.8 4276803.1 5155721 3717215.9 3209078.3 3502236.6 4497778.5 3693464.1 4949344 3785466.5 3221966.6 3812254.5 3702578.4 5696933.9 6125683.7 5463423.9 3624233.3 4219984.7 3238352.3 4689069.5 0 3830003.4 4922743.6 4224370.4 4332385.3 5685179.1 6631912.8 4589797.6 3467950.5 3413545.8 3269043.3 3064028.5 Palmitoleic acid 1202273681 394285258.4 1161715066 1055742002 54376284.6 148936113.7 152526294 268926060.3 459115191 1298258628 669391738.2 719373495.4 454207957.3 89633680.1 138123848.6 95734028.3 632521657.6 982079628.3 684077323.7 91508563.7 949488926.6 920374592.9 889878041.5 268813652.6 235548815.7 151631376.8 92726483.6 248374012 137323696.5 443623058.5 136324303.6 1050081096 882521570.5 1239665848 413681499.6 446130472.1 487457617.2 575676682.1 626404797.4 887206986.6 866112821.5 304955374.9 356902806.3 844224015.4 823194726.8 941432094.8 1254013153 1296114177 122498209.7 292759865.7 620919282.1 169999176.9 586536194.9 111323829.2 992186796.4 168241216 79004307.2 322187024.7 158484185.7 140853649.7 202343902.8 847936723.7 865849953.5 267654646.8 428001068.8 776864272.1 1096646330 592658053.9 173422814.1 933266284.9 305845516.4 92045877.6 512540983.6 218062074 91269544.8 157659871.4 400898311.8 357602836.2 1452679001 967882044.4 979387920.5 928542472.4 386360941.2 1081005759 Palmitic acid 3927790033 2037408978 4411376208 3906493098 853440107.6 1143012860 891656801.1 1572899247 2055812286 6041124025 2509283512 3204624994 1954261181 1055538676 978748232 762657577.4 2889446108 3245310760 2388942696 776590690.4 3567927491 3540521262 2944366202 1505245135 1765915699 891133689.2 741674409.1 1049263271 1381856673 1958611121 1315168850 4854950982 3653939403 3425859218 2130962751 1883122807 2216484026 2355685536 2987570490 3405451215 3397602779 1482946233 1811856141 3615554779 3489389016 4016561078 3995244795 5191088112 860873089.4 1743552223 2612803531 1401441140 2329020251 886576959.5 3819121986 1343828688 925608034.1 1400459883 1168163057 968513386.4 1360056911 3692393866 3632765615 966350806.6 1693320533 2622509129 3536880342 2123980849 1226013886 3807866332 1494288449 845731931 2988301871 1236611170 620959634.1 1271605086 1875167941 2004862076 4949785168 2554321594 3917291913 3752844473 1934414766 3248622033 Heptadecanoic acid 102135572.6 48886008.7 109964980.2 90757936.4 22888811.2 33305960.4 24004879 47889403.6 51003397.6 138854148.9 42658379.9 81857146.3 49565531.9 15521430.2 23488804.9 28389460.5 67136862.8 94279662.2 70382252.9 24401344.2 73892352 76874636.1 72169949.5 45869590.7 37464818.9 20849758.5 22800159.6 38076391 22827787.1 39912194.6 17723761.4 139019595.2 68609333.5 72174237.7 51587001.2 46026166.1 58293756.9 57117008 77374995 71802429.3 72288098.8 31350340 34833114.8 71300866 68042961.7 115775037.7 94899915.1 149911750.1 21263414 35811719.8 47302446.8 18551337.3 75088425.9 22981486.5 91507432.9 32339840.2 15131688.8 32049654.7 36349851 26305022 29349187 79190533.6 79387147.5 21472631 53140185.3 83489144.8 94471095 53251819.7 27482927.6 84497976.9 37431067.5 22430397.1 68577307.7 24120741.1 14661470.5 54353705 48742801.4 82460176.3 85567051.1 70061567.1 81630608.9 81630908.4 36758360.5 79213701.9 Gamma-Linolenic acid 480541689.5 339004831.4 625512828.2 591935349.8 57372986.9 161793257.5 147277285.1 210798003.1 299275212.4 997850531.5 472374518.5 943684129.6 371621389.1 390071633.8 107466418.5 94619817.8 526573664.2 861738556.9 540238712.6 88580700.8 554225398.2 544367948.1 486867049.8 206636486.1 451772732.2 118336780.1 83347415.8 141930198.1 181229004.8 516382226.9 151473371.3 1162875247 703514091.8 671697397 385853270.9 253174405.2 516302969.4 403394088.4 651190983.3 578778995.7 563887587.8 288070833.9 336750443.7 584649736.2 583699317.6 823949011.2 918238729.8 1080924803 111419245.8 353932117.4 580922904.8 231191769.8 422067532.5 154471009.3 802666080.8 171091117.8 183495437.2 223918668.7 263882117.6 125871448.8 178197089.2 593235829.1 594118326.5 210716686.2 238345959.5 599661590.1 1091368904 348527703.3 195992468.9 739171026.5 197478130.6 77128127.2 582603672.3 195312264.4 145107486.9 179502749.3 518522493.8 250123757.7 822993554 346041757.7 630398297.4 630550572.8 347087962.1 478906035.8 Linoleic acid 5003968341 3524851088 6468567005 6187137209 978491698.8 1542891415 1513033651 2243915027 3434088196 10003433363 4900367522 5114659695 3670621244 2798499527 1335828577 980864215.5 5323320252 5512814905 4858820048 1060637265 5520678441 5553909305 4237125545 1719933433 3065084526 1369649525 904352770.2 1472026406 1480586880 4057746307 1626377253 8057661217 6513417143 6707160656 2409126421 2374849718 4237487522 3981644749 6437163741 5248339961 5227976608 2775982087 3433335574 5356498557 5320175802 6613568055 7989926930 9251190110 938097527.3 3194994975 4004424790 2401690945 3491548002 1302828880 6501963016 1575342752 1775675777 2299722280 2064476969 965863430.3 1987481436 5663062305 5743635081 1894456439 2584207332 4725258640 6255338933 3209447030 1561693275 6495242982 2095725852 1018582094 4520465316 1928448136 1259860128 2449288743 3685061716 3381578909 8306472882 3401240092 5892336103 5897921978 3371200646 4797673996 Stearic acid 1539010041 914319446.7 1686528544 1533101335 420661012.6 599857163.2 505844351.9 860834988.2 827083826.2 2202169967 759398456.1 1402968804 880714945.9 485179513.3 491249204.3 490276311.7 1250266201 1080040920 1034535008 499127527.8 1432690120 1496837711 1105194025 801522914.7 945105976.4 490741371 502734064.4 644613775.6 688707360.5 955116730.4 628363958 2453410639 1387686492 1170020594 863610063.6 861604964.7 1130058100 824935564.2 1369495842 1420401665 1414395411 735119994.7 872199551.7 1401705174 1384836876 1529433173 1615500805 2794693867 542394343 824989119.5 940245110.2 832163256 1102964483 535329582 1315211477 632226173 505797469.3 574491701.6 787829530.4 561694813 790452342.4 1422302716 1392387881 522562455.8 874843252.4 1235727531 972001857.5 832180338.1 621006560.2 1523762423 643369209.7 509989631 1593246202 529616420.5 422424929.3 728957134.2 779441411.8 1138113474 1384656320 964786283.4 1454803322 1461181233 890845314.8 1243774654 retinoic acid 0 811291.8 1827497.3 1373394.6 1444157.6 1681921.5 7212305.3 0 1855396.9 4747673.7 0 1766028.9 0 658045.9 2040081.9 2020868.7 1752675.3 1350714.3 0 822807.7 838382.9 1494401.7 0 783231.2 2328670.4 1570810.1 1162653.2 1023510.4 1171944.9 0 1108307.1 1206354.4 0 1001901.2 1013849.5 766172 1629461.6 1601054.7 538627.4 650841.3 1342811.2 808694.5 113967.9 93291.1 1653049.7 0 2206361.5 1666875 2742114.2 1888247.2 153581.4 296705.6 880313.4 3367279.2 0 2440301 181336.1 1868736.3 0 550998.7 2129273.3 1355134.1 677077.9 1253395.5 1287269.2 2106346.3 544752.8 0 2686599.5 0 2011354.4 2904371.4 2601787.7 1288118.6 2123927.5 1504096.9 560554.5 2630151.3 0 0 2775615.3 1499044.9 513327.7 0 N-Acetylneuraminic acid 262533.5 1200793 622433.8 972952.7 462802.8 333248.8 345386 380650.3 515908.6 376386.3 739705.1 460219 503598.4 445750.7 365346.3 679310.1 356800.6 353856 547487.9 452042 853682.7 756457.3 640391.4 1206111.9 604778.1 648220.3 403958.2 305151.9 417406 541651.9 563192.1 463645.4 660210.1 601200.3 695109.6 790712.8 584026.4 589257.8 508401.1 786537.3 760778.3 1325664.1 1482523.3 733621.7 721698.4 542057.7 789610.5 952455.9 711168.7 662056.4 705179.6 496974.7 0 812406.1 927495.2 548182 584792.6 861567.2 346866.9 474562.3 991750 547114.7 772221.6 541408.2 687406.4 225661.7 711729.8 701145.1 389729.9 365230.7 440251 734388.1 578698.8 326609.5 719044.4 568070.5 481844.4 704713 564999.7 251592.1 575298.7 516504.4 1135422.5 337272.3 Arachidic acid 1579570.5 531741.8 359160.9 236228.4 201615.9 189625.6 137436.4 268284 269284.9 243541.3 176835.6 538058 183242.9 113513.4 147968.3 421890.3 293740.6 492456.1 338333.5 190213.6 0 211459.2 365962.9 122176.5 97424.4 277401.1 0 164212.5 95532.1 99769.6 119132.8 334918.1 0 0 292316.4 88075.6 170568.7 55777.7 1916373.6 1593790 336970.9 0 0 0 0 0 0 218477.3 194674.4 0 145389 176546.3 524416.3 224506.1 221419.4 173997.8 212770.5 191274.5 418241.4 296487.9 94009.6 0 0 0 172022.6 110331.9 0 0 0 0 0 181265.1 121505 0 146477.1 215910.2 0 0 142956.9 2505853.3 0 0 0 0 Docosahexaenoic acid 237878872 231732828.3 480527196.7 450333690.7 79005532.3 107112948.4 125716140 123663166.3 219987715.1 394617874.6 194190902.6 420992528.6 224303872.4 105939481 119845398.4 141548146.3 431742959.3 365179768.3 241286903.6 127197152.1 385391192.3 378923304 240045119.3 204831293.4 405224271.7 109348119.6 78268824 124052268.3 140805771.6 219662933 111820357.2 666507831.8 316589091.8 191574150.2 115525487.1 158266891.4 186905579 140664902.6 169442432.6 354766967.5 348548542.9 201282931 211121827.7 384553325.8 388043660.1 433169775.7 370156098.1 251719837.8 106877759.3 246366155.9 227300016.4 120921889.9 218517301.7 85950743.4 343352680.8 127986624.6 127949287.8 79690260.1 163351155.4 188922865 136592101.2 361332122.7 369928195.9 221909745.3 187590505.4 365561046.9 693201799.4 196102851.8 72419376.2 321077255.6 77138231 102871828.8 252859992.4 78445735 60912834.1 206415961 172319433.8 274763972.3 354895312.5 161602916.9 447106658.2 433331885.6 232690037.1 260908446.7 Leukotriene B4 1212637.4 123164476.2 61265920.8 76848502.5 663323.3 1145621.1 1754285.7 550215.6 996792.7 468850.6 523187.5 1265004.2 942309.9 564046.8 512718.4 520545.4 839453.4 938580.3 1237783.5 392477.4 70575377.8 70518705.8 1063169.6 777559 654583.2 649027.4 1249508.3 930535.5 0 721699.9 0 1200650.2 427645.6 1288492.2 492905.7 1566864.6 1144934.9 5166776.5 833132.4 66508533.3 63457893 135709657.5 143535032.3 67104975.8 67858192.4 0 1040179.8 471086.5 107217.3 414909.4 105388.9 267031.2 452747.6 0 85804.4 246171.2 560099.2 851114.5 428354.6 477885.3 3161981.2 61832932.3 61734218.5 476872.3 476682.2 704888.9 0 76805.3 0 0 0 727731.3 529771.8 69.3 0 806940.8 467047.4 816947 0 0 63563133 58349963 122951876.7 611334.1 Cortisol 1952555 222203 553677.9 598152.3 0 99949 0 0 0 79757.5 0 141611 283810.2 0 0 89506.2 773858.1 0 0 333110.9 453388.5 538752.6 356216.8 0 0 0 0 197662 0 186711.1 0 0 0 0 0 0 271985.1 0 239215.1 439715.8 460279.8 139489.2 196926.5 474909.2 477225.3 69084.4 81811.4 0 0 0 137613 0 123953.8 0 466158.5 0 0 0 0 0 0 398670.9 431088.7 0 0 0 230749.2 53804 0 218364 0 0 0 0 0 0 0 0 203423.1 0 358556.7 447185.7 214954.4 1846745.2 Cholic acid 1952014.9 1096707 3759522.9 4103089.4 1296421 210891.7 384632.3 0 47252.3 0 1261397.2 1556509.7 3326149.3 2234632.4 0 4224360.1 0 4410253.9 1329708.8 870390.7 2965898.8 3027314.7 851211.8 1398965.3 164579.5 0 172229.2 0 2045489.7 928164.6 964659.6 891713 2376971.9 0 1549131.1 2257252.6 1060228.1 1047181.2 0 3005856 3068770.4 1222008 800674.1 2201543.9 1938793.7 293745.3 624595.8 13646071.6 1124188.5 731694.1 2948656.5 420111.9 1031652.1 195838.6 260697.8 386951.7 275164.2 988183.3 1221420.4 1395007.8 1348636.8 1952641.4 1827719.6 1021349.1 940497.5 527137.7 1119269.1 675440.1 598167.9 4727886.1 356793.8 662982.8 1674637.3 442260.5 522961.6 352099.9 7024920.5 2426287.7 436843 712723.6 1853345.9 1791528.6 1018318.3 1867404.1 Glycocholic acid 9195778.2 8636907.1 13612118.9 12594246.2 17448830.3 11430550.2 9954661.3 14712453.4 17008794.3 2709586.1 12246662.9 35157858.7 13475513.1 45284331.6 9595517 14340748.3 4523274.6 9061805.8 30154796.8 4398016.1 13021455.8 9028745 3879245.7 9885216.7 6194570 4310001.6 18444689.8 9182510.7 19103614.7 14618247.9 11720442.4 147183857 3741199 4883798.9 53090481.5 12110162.8 6238440.3 5917905.5 5776409 13285769 12671944.2 5928568 1594675.3 14585816.8 4750340.4 0 3725541.2 15938577.1 9678193.2 1057353.3 6152333.7 25157032.1 0 22896007.4 0 0 28230250.4 771921.9 9565657.1 68654870.7 39704461.2 4483480.7 12650112.8 13126307.1 14435425.9 0 12084026.1 0 29548820 21233340 9801616.3 7355232.6 73356757.9 11984078.4 36325145.2 25690239.6 25217838.6 49254245.2 11586025.7 18207450.9 13204014.6 4755236.7 5403057.4 9901630 Thyroxine 576953.1 768479.3 573107.6 614142.4 871435.1 1048107.8 1349498.2 1045857.9 1054986.6 1218238.3 1202614 1285195.9 1011541 1510546.6 938639.4 1342065.6 1360485.1 970692.6 1473740.6 1170687.9 553625.2 515914 1317294.7 959321.4 920027.3 1724529.3 1188131.1 1017648 1139435.1 960433.1 1129659.5 1051288.3 1078618.3 929266.1 1036886.9 964092.3 902602.1 967202.9 237901.7 457609.6 547512.9 760659.2 777746.2 530506 396043.4 1095776.7 1138092.3 1093047.3 1002601.5 1277479.5 1196674.4 1334487.1 452455 1348342.2 1261228.3 1055269.8 1376732.2 1200319.5 1021099.4 1090172.4 1042785.6 423642.3 348199.6 1193167.3 1145666.2 954530.2 1535172.5 1050548 923570.8 1438939.5 1355072.7 894455.4 997566.4 1219717.1 1081978.6 1090254.2 1399419.9 1179531.1 1327709.9 827260.7 418791.4 442307.8 646287 652453 Lactic acid 940659411.7 2748014789 763015312.1 742908991.7 604236647.8 768258243.5 790411160.4 694491315.2 477181645.4 656009381.3 3902910487 729275271.9 1413790853 702779447.7 483840450.1 767704375.8 1009152127 507570986.6 547101202 743298714.4 858200193.5 783458039.1 784451378.4 1039706705 1202029869 1161092785 655185421.8 633124482.6 648782667 1040305002 1137237162 817188772 1131754083 1003782246 1686980388 1656746192 862825305.5 945631280.5 552731651.9 802318461.5 912222143.9 2986045853 3132927860 770698570.6 760437387.6 491521407.4 447249059.6 803316646 710424610.2 1010885230 1121161506 702753404.2 468439326.2 824453219.8 1105633960 775797331.9 1219080876 1051798395 828955947.2 1117613526 1071309049 831743545.5 754519861 866312432.8 1080712108 580597643.8 4060411560 1103238800 663910166.5 410800649.1 553171118.1 1037478130 1445234367 881396460.5 820083517.5 1103625262 713843353 1394633289 1061211926 943912320.5 713981809.4 772122140 2695230246 742437977.6 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name chemical_ID Adduct InChiKey quantified m/z rtimes MSIconfidence(1-4) Oxalic acid HMDB02329 M-H InChIKey=MUBZPKHOEPUJKR-UHFFFAOYSA-N 88.988 19.6 1 Ketobutyric acid HMDB00005 M-H InChIKey=TYEYBOSBBBHJIV-UHFFFAOYSA-N 101.0244 26 1 Serine HMDB00187 M-H InChIKey=MTCFGRXMJLQNBG-REOHCLBHSA-N 104.0352 22.6 1 Glyceric acid HMDB00139 M-H InChIKey=RBNPOMFGQQGHHO-UWTATZPHSA-N 105.0193 33.1 1 Creatinine HMDB00562 M-H InChIKey=DDRJAANPRJIHGJ-UHFFFAOYSA-N 112.0516 26.3 1 Proline HMDB00162 M-H InChIKey=ONIBWKKTOPOVIA-BYPYZUCNSA-N 114.056 32 1 Ureidopropionic acid HMDB00026 M-H InChIKey=JSJWCHRYRHKBBW-UHFFFAOYSA-N 131.0462 23.6 1 Malic acid HMDB00156 M-H InChIKey=BJEPYKJPYRNKOW-REOHCLBHSA-N 133.0142 35.8 1 Phenylacetic acid HMDB00209 M-H InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N 135.0452 41.5 1 Hydroxynicotinic acid HMDB02658 M-H InChIKey=BLHCMGRVFXRYRN-UHFFFAOYSA-N 138.0197 24.4 1 Caprylic acid HMDB00482 M-H InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-N 143.1077 78 1 Oxoglutaric acid HMDB00208 M-H InChIKey=KPGXRSRHYNQIFN-UHFFFAOYSA-N 145.0143 32.4 1 Glutamine HMDB00641 M-H InChIKey=ZDXPYRJPNDTMRX-VKHMYHEASA-N 145.0619 23.2 1 Lysine HMDB00182 M-H InChIKey=KDXKERNSBIXSRK-YFKPBYRVSA-N 145.0983 32.3 1 Glutamic acid HMDB00148 M-H InChIKey=WHUUTDBJXJRKMK-VKHMYHEASA-N 146.0459 24.1 1 Cinnamic acid HMDB00930 M-H InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-N 147.0452 42.1 1 Methionine HMDB00696 M-H InChIKey=FFEARJCKVFRZRR-BYPYZUCNSA-N 148.0438 25.2 1 Xanthine HMDB00292 M-H InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N 151.0262 24.9 1 Histidine HMDB00177 M-H InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N 154.0623 24.9 1 Pelargonic acid HMDB00847 M-H InChIKey=FBUKVWPVBMHYJY-UHFFFAOYSA-N 157.1233 99.5 1 Indoleacetaldehyde HMDB01190 M-H InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N 158.0612 61.8 1 Aminoadipic acid HMDB00510 M-H InChIKey=OYIFNHCXNCRBQI-UHFFFAOYSA-N 160.0616 20.7 1 3-Hydroxymethylglutaric acid HMDB00355 M-H InChIKey=NPOAOTPXWNWTSH-UHFFFAOYSA-N 161.0456 28.5 1 Phenylalanine HMDB00159 M-H InChIKey=COLNVLDHVKWLRT-QMMMGPOBSA-N 164.0718 25.4 1 Uric acid HMDB00289 M-H InChIKey=LEHOTFFKMJEONL-UHFFFAOYSA-N 167.0211 24.8 1 Homogentisic acid HMDB00130 M-H InChIKey=IGMNYECMUMZDDF-UHFFFAOYSA-N 167.0347 19.7 1 N-Acetylasparagine HMDB06028 M-H InChIKey=HXFOXFJUNFFYMO-BYPYZUCNSA-N 173.0568 20.1 1 N-Acetyl-L-aspartic acid HMDB00812 M-H InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-N 174.0408 23.5 1 Indoleacetic acid HMDB00197 M-H InChIKey=SEOVTRFCIGRIMH-UHFFFAOYSA-N 174.056 40.3 1 Citrulline HMDB00904 M-H InChIKey=RHGKLRLOHDJJDR-BYPYZUCNSA-N 174.0885 21 1 Hippuric acid HMDB00714 M-H InChIKey=QIAFMBKCNZACKA-UHFFFAOYSA-N 178.051 30.6 1 Tyrosine HMDB00158 M-H InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N 180.0667 27.2 1 N-Acetylglutamic acid HMDB01138 M-H InChIKey=RFMMMVDNIPUKGG-UHFFFAOYSA-N 188.0563 23.1 1 5-Hydroxyindoleacetic acid HMDB00763 M-H InChIKey=DUUGKQCEGZLZNO-UHFFFAOYSA-N 190.051 35.4 1 Quinic acid HMDB03072 M-H InChIKey=AAWZDTNXLSGCEK-RKGSPJAZSA-N 191.0562 18.1 1 Ferulic acid HMDB00954 M-H InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-N 193.0507 23.1 1 Dodecanoic acid HMDB00638 M-H InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-N 199.1704 193.3 1 Tryptophan HMDB00929 M-H InChIKey=QIVBCDIJIAJPQS-VIFPVBQESA-N 203.0827 25.9 1 Myristic acid HMDB00806 M-H InChIKey=TUNFSRHWOTWDNC-UHFFFAOYSA-N 227.2016 232.4 1 D-Ribose 5-phosphate HMDB01548 M-H InChIKey=KTVPXOYAKDPRHY-SOOFDHNKSA-N 229.012 19.7 1 Cystine HMDB00192 M-H InChIKey=LEVWYRKDKASIDU-IMJSIDKUSA-N 239.0161 28.5 1 Uridine HMDB00296 M-H InChIKey=DRTQHJPVMGBUCF-XVFCMESISA-N 243.0622 24.3 1 Palmitoleic acid HMDB03229 M-H InChIKey=SECPZKHBENQXJG-FPLPWBNLSA-N 253.2171 238.5 1 Palmitic acid HMDB00220 M-H InChIKey=IPCSVZSSVZVIGE-UHFFFAOYSA-N 255.2327 259.7 1 Heptadecanoic acid HMDB02259 M-H InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-N 269.2483 273.7 1 Gamma-Linolenic acid HMDB03073 M-H InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-N 277.2173 229.7 1 Linoleic acid HMDB00673 M-H InChIKey=OYHQOLUKZRVURQ-HZJYTTRNSA-N 279.2328 246.7 1 Stearic acid HMDB00827 M-H InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-N 283.264 290.4 1 retinoic acid HMDB01852 M-H InChIKey=SHGAZHPCJJPHSC-YCNIQYBTSA-N 299.2011 212.1 1 N-Acetylneuraminic acid HMDB00230 M-H InChIKey=SQVRNKJHWKZAKO-PFQGKNLYSA-N 308.0987 20.7 1 Arachidic acid HMDB02212 M-H InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-N 311.2954 288.3 1 Docosahexaenoic acid HMDB02183 M-H InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N 327.233 234.8 1 Leukotriene B4 HMDB01085 M-H InChIKey=VNYSSYRCGWBHLG-AMOLWHMGSA-N 335.2226 111.7 1 Cortisol HMDB00063 M-H InChIKey=JYGXADMDTFJGBT-CZFMHFDVSA-N 361.2021 57.6 1 Cholic acid HMDB00619 M-H InChIKey=BHQCQFFYRZLCQQ-OELDTZBJSA-N 407.2792 86.8 1 Glycocholic acid HMDB00138 M-H InChIKey=RFDAIACWWDREDC-MZMBZMQMSA-N 464.3016 45.3 1 Thyroxine HMDB00248 M-H InChIKey=XUIIKFGFIJCVMT-LBPRGKRZSA-N 775.6817 79.4 1 Lactic acid HMDB00190 M-H InChIKey=JVTAAEKCZFNVCJ-REOHCLBHSA-N 89.0244 25.2 1 METABOLITES_END #END