#METABOLOMICS WORKBENCH michaelsa93_20160510_133151_mwtab.txt DATATRACK_ID:622 VERSION 1 CREATED_ON July 9, 2016, 1:34 pm #PROJECT PR:PROJECT_TITLE Lung Cancer Plasma Discovery PR:PROJECT_SUMMARY Recently, major efforts have been directed toward early detection of lung cancer PR:PROJECT_SUMMARY through low-dose computed tomography (LDCT) scanning. Data from the National PR:PROJECT_SUMMARY Lung Screening Trial (NLST) suggest that yearly screening with thoracic LDCT PR:PROJECT_SUMMARY scanning for high-risk current and former smokers reduces lung cancer mortality PR:PROJECT_SUMMARY by 20% and total mortality by 7%. However, issues including indeterminate PR:PROJECT_SUMMARY nodules detected by LDCT and radiation exposure impact the practicality of PR:PROJECT_SUMMARY LDCT-based screening on a national and global basis. A blood-based biomarker or PR:PROJECT_SUMMARY multiplexed marker panel that could complement LDCT would represent a major PR:PROJECT_SUMMARY advance in implementing lung cancer screening. Efforts to develop blood-based PR:PROJECT_SUMMARY biomarkers for lung cancer early detection using a variety of methodologies are PR:PROJECT_SUMMARY currently ongoing. Proteomic studies have led to the identification of several PR:PROJECT_SUMMARY candidate markers including pro-surfactantproteinB(pro-SFTPB), a target of a PR:PROJECT_SUMMARY lineage-survival oncogene in lung cancer, NKX2-1.Validation studies using blood PR:PROJECT_SUMMARY samples collected at the time of LDCT screening for lung cancer substantiated PR:PROJECT_SUMMARY the performance of pro-SFTPB. Multivariable logistic regression models were used PR:PROJECT_SUMMARY to evaluate the predictive ability of pro-SFTPB. The area under the curve (AUC) PR:PROJECT_SUMMARY values of the full model with and without pro-SFTPB were 0.741 (95% CI, 0.696 to PR:PROJECT_SUMMARY 0.783) and 0.669 (95%CI, 0.620 to 0.717), respectively (difference in AUC, PR:PROJECT_SUMMARY P_.001). Single markers are unlikely to have sufficient performance for PR:PROJECT_SUMMARY implementation in a screening setting, hence the need to explore several PR:PROJECT_SUMMARY discovery platforms to identify markers that provide complementary performance. PR:PROJECT_SUMMARY Metabolomics represents a global unbiased approach to the profiling of small PR:PROJECT_SUMMARY molecules and has been established as a platform for biomarker discovery for a PR:PROJECT_SUMMARY variety of human biofluids and tissues. Here we used an untargeted liquid PR:PROJECT_SUMMARY chromatography/mass spectrometry (MS) metabolomics approach to identify PR:PROJECT_SUMMARY metabolites that distinguish human sera collected before the diagnosis of lung PR:PROJECT_SUMMARY cancer from matched control sera in a prospective cohort of highrisk patients PR:PROJECT_SUMMARY from the Beta-Carotene and Retinol Efficacy Trial (CARET). PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 #STUDY ST:STUDY_TITLE Lung Cancer Plasma Discovery ST:STUDY_SUMMARY Recently, major efforts have been directed toward early detection of lung cancer ST:STUDY_SUMMARY through low-dose computed tomography (LDCT) scanning. Data from the National ST:STUDY_SUMMARY Lung Screening Trial (NLST) suggest that yearly screening with thoracic LDCT ST:STUDY_SUMMARY scanning for high-risk current and former smokers reduces lung cancer mortality ST:STUDY_SUMMARY by 20% and total mortality by 7%. However, issues including indeterminate ST:STUDY_SUMMARY nodules detected by LDCT and radiation exposure impact the practicality of ST:STUDY_SUMMARY LDCT-based screening on a national and global basis. A blood-based biomarker or ST:STUDY_SUMMARY multiplexed marker panel that could complement LDCT would represent a major ST:STUDY_SUMMARY advance in implementing lung cancer screening. Efforts to develop blood-based ST:STUDY_SUMMARY biomarkers for lung cancer early detection using a variety of methodologies are ST:STUDY_SUMMARY currently ongoing. Proteomic studies have led to the identification of several ST:STUDY_SUMMARY candidate markers including pro-surfactantproteinB(pro-SFTPB), a target of a ST:STUDY_SUMMARY lineage-survival oncogene in lung cancer, NKX2-1.Validation studies using blood ST:STUDY_SUMMARY samples collected at the time of LDCT screening for lung cancer substantiated ST:STUDY_SUMMARY the performance of pro-SFTPB. Multivariable logistic regression models were used ST:STUDY_SUMMARY to evaluate the predictive ability of pro-SFTPB. The area under the curve (AUC) ST:STUDY_SUMMARY values of the full model with and without pro-SFTPB were 0.741 (95% CI, 0.696 to ST:STUDY_SUMMARY 0.783) and 0.669 (95%CI, 0.620 to 0.717), respectively (difference in AUC, ST:STUDY_SUMMARY P_.001). Single markers are unlikely to have sufficient performance for ST:STUDY_SUMMARY implementation in a screening setting, hence the need to explore several ST:STUDY_SUMMARY discovery platforms to identify markers that provide complementary performance. ST:STUDY_SUMMARY Metabolomics represents a global unbiased approach to the profiling of small ST:STUDY_SUMMARY molecules and has been established as a platform for biomarker discovery for a ST:STUDY_SUMMARY variety of human biofluids and tissues. Here we used an untargeted liquid ST:STUDY_SUMMARY chromatography/mass spectrometry (MS) metabolomics approach to identify ST:STUDY_SUMMARY metabolites that distinguish human sera collected before the diagnosis of lung ST:STUDY_SUMMARY cancer from matched control sera in a prospective cohort of highrisk patients ST:STUDY_SUMMARY from the Beta-Carotene and Retinol Efficacy Trial (CARET). ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, ST:ADDRESS CA 95616 ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 45-74 SU:GENDER M/F SU:HUMAN_SMOKING_STATUS Current vs. former #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 69508 110703bwasa15_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69518 110703bwasa39_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=15; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69527 110701bwasa34_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=16; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69528 110703bwasa11_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=14; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69603 110702bwasa33_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=7; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69585 110704bwasa07_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=15; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69566 110701bwasa39_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69613 110630bwasa24_2 Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=12; Blood Draw Hour=10; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69586 110630bwasa27_2 Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69600 110630bwasa20_2 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=15; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69630 110704bwasa02_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69634 110703bwasa30_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=17; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69672 110630bwasa38_2 Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=15; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69790 110630bwasa02_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=14; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69691 110629bwasa43_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=4; Blood Draw Hour=15; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69702 110701bwasa18_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=4; Blood Draw Hour=16; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69681 110702bwasa23_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69737 110704bwasa03_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=5; Blood Draw Hour=10; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69739 110703bwasa06_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=6; Blood Draw Hour=13; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69740 110703bwasa16_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=8; Blood Draw Hour=13; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69800 110703bwasa47_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69654 110630bwasa05_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69733 110702bwasa47_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69728 110701bwasa37_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=5; Blood Draw Hour=13; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69749 110701bwasa08_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69798 110704bwasa41_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69641 110630bwasa48_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69769 110703bwasa37_1 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=14; Blood Draw Hour=11; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69772 110704bwasa19_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=-; Blood Draw Hour=14; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69785 110630bwasa10_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=15; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69503 110705bwasa07_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=14; Blood Draw Hour=9; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69506 110703bwasa05_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=9; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69541 110702bwasa08_1 Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69530 110704bwasa47_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=4; Fasting prior to blood draw (hours)=14; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69535 110704bwasa13_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=4; Fasting prior to blood draw (hours)=4; Blood Draw Hour=13; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69509 110705bwasa05_2 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=4; Blood Draw Hour=12; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69512 110703bwasa10_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69576 110630bwasa40_3 Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=4; Blood Draw Hour=9; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69575 110702bwasa37_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=4; Blood Draw Hour=14; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69573 110629bwasa35_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69599 110701bwasa38_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69605 110630bwasa28_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=12; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69745 110702bwasa24_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=10; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69624 110703bwasa04_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=12; Blood Draw Hour=13; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69626 110704bwasa06_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=-; Blood Draw Hour=10; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69636 110703bwasa03_1 Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=15; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69678 110702bwasa26_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=15; Blood Draw Hour=8; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69693 110630bwasa50_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69743 110629bwasa41_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=5; Blood Draw Hour=12; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69590 110702bwasa11_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=6; Blood Draw Hour=11; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69623 110702bwasa22_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69713 110701bwasa14_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=5; Blood Draw Hour=13; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69662 110704bwasa14_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69729 110705bwasa12_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=4; Blood Draw Hour=9; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69635 110703bwasa35_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69720 110705bwasa03_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69787 110703bwasa48_1 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=3; Blood Draw Hour=13; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69580 110701bwasa31_3 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69617 110705bwasa16_1 Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69757 110702bwasa39_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69532 110703bwasa44_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=2; Blood Draw Hour=7; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69534 110630bwasa29_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=16; Blood Draw Hour=12; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69545 110703bwasa20_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=14; Blood Draw Hour=10; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69517 110630bwasa47_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=16; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69549 110701bwasa19_2 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69557 110701bwasa47_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69526 110703bwasa24_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=8; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69574 110701bwasa28_3 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=12; Blood Draw Hour=9; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69561 110702bwasa25_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=16; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69639 110701bwasa48_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69578 110704bwasa18_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=15; Blood Draw Hour=11; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69572 110630bwasa08_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=13; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69591 110629bwasa47_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=16; Blood Draw Hour=11; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69596 110629bwasa36_2 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69774 110630bwasa01_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=13; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69625 110705bwasa11_2 Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69767 110705bwasa29_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=6; Blood Draw Hour=13; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69742 110703bwasa12_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=12; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69735 110702bwasa30_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=14; Blood Draw Hour=8; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69694 110630bwasa07_2 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=15; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69744 110701bwasa15_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=4; Blood Draw Hour=14; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69721 110701bwasa30_3 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=12; Blood Draw Hour=11; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69593 110702bwasa17_1 Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=12; Blood Draw Hour=14; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69645 110705bwasa27_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=6; Blood Draw Hour=12; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69628 110702bwasa46_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=4; Blood Draw Hour=13; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69627 110702bwasa38_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=18; Blood Draw Hour=11; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69719 110629bwasa33_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=3; Blood Draw Hour=15; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69741 110704bwasa04_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=13; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69659 110702bwasa12_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=21; Blood Draw Hour=14; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69758 110630bwasa06_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=4; Blood Draw Hour=12; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69780 110701bwasa23_2 Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69794 110705bwasa30_1 Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=17; Blood Draw Hour=10; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69581 110629bwasa49_2 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=13; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69582 110630bwasa15_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=11; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69622 110702bwasa50_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=14; Blood Draw Hour=9; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69773 110703bwasa02_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=8; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69638 110704bwasa35_1 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=12; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69755 110701bwasa32_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=1; Blood Draw Hour=15; Lung Cancer Stage=2 SUBJECT_SAMPLE_FACTORS 69777 110629bwasa48_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=4; Blood Draw Hour=15; Lung Cancer Stage=3 SUBJECT_SAMPLE_FACTORS 69797 110629bwasa42_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=1 SUBJECT_SAMPLE_FACTORS 69510 110702bwasa03_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=6; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69529 110701bwasa50_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=4; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69531 110704bwasa21_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=15; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69536 110629bwasa32_2 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=14; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69504 110701bwasa25_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69533 110630bwasa43_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=4; Fasting prior to blood draw (hours)=6; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69507 110702bwasa18_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=4; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69537 110701bwasa24_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=4; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69538 110704bwasa34_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=5; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69542 110704bwasa39_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=5; Blood Draw Hour=17; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69540 110704bwasa38_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69502 110703bwasa49_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=16; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69544 110629bwasa44_2 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69511 110702bwasa32_1 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=4; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69513 110630bwasa46_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69515 110630bwasa09_2 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69516 110704bwasa44_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=10; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69547 110703bwasa50_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=15; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69546 110705bwasa28_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69548 110630bwasa04_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69519 110704bwasa29_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=17; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69520 110702bwasa43_1 Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=1; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69521 110704bwasa27_1 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69524 110629bwasa50_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69550 110704bwasa10_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69525 110704bwasa08_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=7; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69552 110704bwasa24_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69608 110704bwasa09_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69563 110705bwasa20_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=8; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69560 110701bwasa42_1 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69553 110704bwasa17_1 Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69565 110701bwasa27_3 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69562 110701bwasa21_2 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69567 110701bwasa33_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69568 110630bwasa16_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=16; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69602 110704bwasa36_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69606 110701bwasa22_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69609 110630bwasa44_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=16; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69618 110702bwasa05_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69612 110701bwasa11_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=-; Blood Draw Hour=8; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69620 110702bwasa09_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=8; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69570 110630bwasa18_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69592 110703bwasa33_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69644 110630bwasa49_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=-; Blood Draw Hour=17; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69649 110701bwasa09_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69667 110703bwasa23_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69646 110701bwasa17_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=1; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69601 110630bwasa19_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=17; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69632 110702bwasa40_1 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69629 110630bwasa22_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69661 110702bwasa07_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69732 110703bwasa41_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=15; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69734 110705bwasa06_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=5; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69676 110704bwasa11_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=6; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69675 110704bwasa42_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69648 110703bwasa09_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=8; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69631 110703bwasa45_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69665 110703bwasa32_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=17; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69664 110703bwasa40_1 Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69670 110705bwasa08_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=6; Blood Draw Hour=17; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69671 110704bwasa15_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69679 110701bwasa26_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=16; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69746 110704bwasa48_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=15; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69752 110705bwasa26_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=4; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69764 110701bwasa03_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69766 110630bwasa33_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=15; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69786 110629bwasa38_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69789 110630bwasa45_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=1; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69791 110705bwasa14_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=5; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69683 110701bwasa05_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=6; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69686 110704bwasa28_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=1; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69692 110701bwasa01_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69738 110630bwasa21_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=5; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69697 110705bwasa17_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69698 110703bwasa38_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=-; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69705 110703bwasa08_1 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=18; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69707 110630bwasa39_2 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=-; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69682 110704bwasa30_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69685 110701bwasa35_2 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=16; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69704 110703bwasa29_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69703 110629bwasa37_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=15; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69795 110701bwasa43_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69730 110702bwasa16_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69776 110703bwasa36_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=9; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69748 110705bwasa23_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69588 110702bwasa02_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69587 110701bwasa06_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69651 110703bwasa01_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=6; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69647 110704bwasa37_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69652 110701bwasa44_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69673 110702bwasa44_1 Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69699 110701bwasa40_2 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=16; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69688 110702bwasa13_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=6; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69700 110701bwasa49_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69690 110705bwasa15_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=16; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69663 110630bwasa26_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69716 110630bwasa12_2 Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69724 110629bwasa39_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69731 110630bwasa32_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69696 110705bwasa10_2 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=1; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69655 110703bwasa31_1 Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69727 110630bwasa37_2 Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=4; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69768 110702bwasa42_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=5; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69775 110705bwasa02_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69779 110703bwasa18_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69778 110702bwasa48_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69760 110703bwasa42_1 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=14; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69784 110701bwasa13_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=9; Blood Draw Hour=7; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69793 110702bwasa20_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69783 110705bwasa21_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69680 110705bwasa25_1 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69604 110701bwasa04_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69619 110701bwasa36_2 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69621 110702bwasa06_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69583 110704bwasa50_1 Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69584 110704bwasa12_1 Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69711 110705bwasa01_1 Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69762 110630bwasa14_2 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69763 110629bwasa34_2 Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=1; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69796 110704bwasa43_1 Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=1; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69799 110630bwasa31_2 Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=14; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69539 110702bwasa45_1 Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69543 110703bwasa27_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69505 110705bwasa19_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=12; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69514 110701bwasa46_1 Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69556 110701bwasa20_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69522 110703bwasa19_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=12; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69523 110704bwasa05_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69555 110705bwasa09_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69559 110703bwasa17_1 Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=3; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69558 110703bwasa14_1 Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69551 110702bwasa28_1 Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69554 110702bwasa41_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=1; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69564 110630bwasa03_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69597 110629bwasa46_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=15; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69598 110701bwasa41_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69577 110630bwasa36_2 Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=14; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69571 110701bwasa07_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=9; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69569 110702bwasa14_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=15; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69579 110630bwasa35_2 Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69607 110704bwasa01_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=12; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69614 110701bwasa29_3 Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=5; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69616 110630bwasa11_5 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=8; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69589 110704bwasa33_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=15; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69637 110703bwasa43_1 Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69643 110630bwasa41_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=30; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69650 110703bwasa13_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=4; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69611 110630bwasa34_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=1; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69657 110704bwasa23_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=96; Fasting prior to blood draw (hours)=19; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69674 110701bwasa02_2 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69653 110705bwasa22_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=8; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69668 110630bwasa25_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=5; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69669 110702bwasa35_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=4; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69759 110704bwasa46_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69750 110705bwasa04_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69751 110705bwasa24_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69792 110704bwasa45_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69706 110630bwasa42_2 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=1; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69710 110702bwasa10_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=4; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69687 110703bwasa07_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=6; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69684 110630bwasa30_2 Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69695 110701bwasa10_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=36; Fasting prior to blood draw (hours)=5; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69701 110704bwasa25_1 Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69709 110705bwasa13_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69708 110701bwasa16_3 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69761 110704bwasa20_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69781 110702bwasa29_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69782 110702bwasa31_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=17; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69712 110703bwasa25_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69715 110704bwasa49_1 Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69633 110703bwasa34_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=15; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69656 110703bwasa46_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69666 110705bwasa18_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69642 110703bwasa26_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=18; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69689 110702bwasa15_1 Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=26; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69736 110704bwasa32_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=5; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69658 110704bwasa31_1 Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69717 110704bwasa16_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=8; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69723 110702bwasa04_1 Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=3; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69725 110703bwasa28_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69726 110630bwasa23_2 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=13; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69677 110702bwasa27_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69660 110703bwasa21_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=3; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69714 110630bwasa17_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=108; Fasting prior to blood draw (hours)=12; Blood Draw Hour=7; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69718 110704bwasa26_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=2; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69747 110702bwasa49_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=12; Blood Draw Hour=11; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69756 110630bwasa13_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=12; Blood Draw Hour=8; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69610 110703bwasa22_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69615 110701bwasa12_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=4; Blood Draw Hour=14; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69595 110629bwasa40_2 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=-; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69640 110702bwasa34_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=1; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69770 110701bwasa45_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=2; Blood Draw Hour=12; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69594 110704bwasa22_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=24; Fasting prior to blood draw (hours)=13; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69722 110702bwasa21_1 Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=60; Fasting prior to blood draw (hours)=1; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69753 110704bwasa40_1 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=5; Blood Draw Hour=15; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69754 110702bwasa01_1 Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=3; Blood Draw Hour=16; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69765 110629bwasa45_2 Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=72; Fasting prior to blood draw (hours)=2; Blood Draw Hour=9; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69771 110702bwasa36_1 Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=48; Fasting prior to blood draw (hours)=3; Blood Draw Hour=10; Lung Cancer Stage=- SUBJECT_SAMPLE_FACTORS 69788 110702bwasa19_1 Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- TimeDraw (Hours)=84; Fasting prior to blood draw (hours)=-; Blood Draw Hour=10; Lung Cancer Stage=- #COLLECTION CO:COLLECTION_SUMMARY In total, 208 patients with lung cancer were selected from 222 patients with CO:COLLECTION_SUMMARY non–small-cell lung cancer (NSCLC) with serum available in the CARET CO:COLLECTION_SUMMARY repository from blood draws that occurred up to 12 months before diagnosis. CO:COLLECTION_SUMMARY Fourteen patients with insufficient sample available for the study were CO:COLLECTION_SUMMARY excluded.Two control individuals who were free of lung cancer were matched to CO:COLLECTION_SUMMARY each patient case on age at baseline (5-year groups), sex, baseline smoking CO:COLLECTION_SUMMARY status (current v former), and study enrollment phase (pilot [1985 to 1988] or CO:COLLECTION_SUMMARY full-scale trial [1989 to 1994], thus accounting for sample storage time). For CO:COLLECTION_SUMMARY one patient, only a single control could be matched, resulting in a total of 208 CO:COLLECTION_SUMMARY patients and 415 controls included in the study. The samples were divided into CO:COLLECTION_SUMMARY two sets; samples from 100 matched sets were used for biomarker discovery (the CO:COLLECTION_SUMMARY discovery set), and the remaining 108 matched sets were reserved for validation CO:COLLECTION_SUMMARY of markers identified by the discovery efforts (the validation set). All CARET CO:COLLECTION_SUMMARY participants provided informed consent at recruitment and throughout follow-up, CO:COLLECTION_SUMMARY and the institutional review boards at each of the six study centers approved CO:COLLECTION_SUMMARY all study procedures. CO:COLLECTION_PROTOCOL_FILENAME JCO-2015-Wikoff-3880-6.pdf CO:SAMPLE_TYPE Blood CO:BLOOD_SERUM_OR_PLASMA Plasma #TREATMENT TR:TREATMENT_SUMMARY Potential confounders and effect modifiers on the DAS and lung cancer TR:TREATMENT_SUMMARY association were examined by the Mann-Whitney U test or Kruskal-Wallis test, TR:TREATMENT_SUMMARY stratified by case-control status, to assess association between DAS and several TR:TREATMENT_SUMMARY potential confounders, including sex, age, fasting time (hours since last meal), TR:TREATMENT_SUMMARY body mass index, smoking status (current v former), pack-years, and CARET TR:TREATMENT_SUMMARY exposure population (asbestos-exposed v heavy smoker cohort), as well as TR:TREATMENT_SUMMARY histology, stage of disease, and time of blood draw with respect to diagnosis (0 TR:TREATMENT_SUMMARY to 6 months v 6 to 12 months prior) among patients with lung cancer only. TR:TREATMENT_PROTOCOL_FILENAME JCO-2015-Wikoff-3880-6.pdf TR:HUMAN_FASTING 0-30 Hours #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1. Switch on bath to pre-cool at –20°C (±2°C validity temperature range) 2. SP:SAMPLEPREP_SUMMARY Gently rotate or aspirate the blood samples for about 10s to obtain a SP:SAMPLEPREP_SUMMARY homogenised sample. 3. Aliquot 30µl of plasma sample to a 1.0 mL extraction SP:SAMPLEPREP_SUMMARY solution. The extraction solution has to be prechilled using the ThermoElectron SP:SAMPLEPREP_SUMMARY Neslab RTE 740 cooling bath set to -20°C. 4. Vortex the sample for about 10s SP:SAMPLEPREP_SUMMARY and shake for 5 min at 4°C using the Orbital Mixing Chilling/Heating Plate. If SP:SAMPLEPREP_SUMMARY you are using more than one sample, keep the rest of the sample on ice (chilled SP:SAMPLEPREP_SUMMARY at <0°C with sodium chloride). 5. Centrifuge samples for 2min at 14000 rcf SP:SAMPLEPREP_SUMMARY using the centrifuge Eppendorf 5415 D. 6. Aliquot two 450µL portions of the SP:SAMPLEPREP_SUMMARY supernatant. One for analysis and one for a backup sample. Store the backup SP:SAMPLEPREP_SUMMARY aliquot in -20°C freezer. 7. Evaporate one 450µL aliquots of the sample in the SP:SAMPLEPREP_SUMMARY Labconco Centrivap cold trap concentrator to complete dryness. 8. The dried SP:SAMPLEPREP_SUMMARY aliquot is then re-suspended with 450 µL 50% acetonitrile (degassed as given SP:SAMPLEPREP_SUMMARY above). 9. Centrifuged for 2 min at 14000 rcf using the centrifuge Eppendorf SP:SAMPLEPREP_SUMMARY 5415. 10. Remove supernatant to a new Eppendorf tube. 11. Evaporate the SP:SAMPLEPREP_SUMMARY supernatant to dryness in the Labconco Centrivap cold trap concentrator. 12. SP:SAMPLEPREP_SUMMARY Submit to derivatization. SP:SAMPLEPREP_PROTOCOL_FILENAME SOP_blood-GCTOF-11082012.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 6890N CH:COLUMN_NAME Restek Corporation Rtx-5Sil MS CH:FLOW_RATE 1 ml/min CH:COLUMN_TEMPERATURE 50-330C CH:METHODS_FILENAME Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf CH:COLUMN_PRESSURE 7.7 PSI CH:INJECTION_TEMPERATURE 50 C ramped to 250 C by 12 C/s CH:SAMPLE_INJECTION 0.5 uL CH:OVEN_TEMPERATURE 50°C for 1 min, then ramped at 20°C/min to 330°C, held constant for 5 min CH:TRANSFERLINE_TEMPERATURE 230C CH:WASHING_BUFFER Ethyl Acetate CH:SAMPLE_LOOP_SIZE 30 m length x 0.25 mm internal diameter CH:RANDOMIZATION_ORDER Excel generated #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:DETECTOR_TYPE TOF AN:SOFTWARE_VERSION ChromaTOF AN:DATA_FORMAT .peg, .txt, .cdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Varian 210-MS GC Ion Trap MS:INSTRUMENT_TYPE GC Ion Trap MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:ION_SOURCE_TEMPERATURE 250 C MS:IONIZATION_ENERGY 70 eV MS:MASS_ACCURACY Nominal MS:SOURCE_TEMPERATURE 250 C MS:SCAN_RANGE_MOVERZ 85-500 Da MS:SCANNING_CYCLE 17 Hz MS:SCANNING_RANGE 85-500 Da MS:SKIMMER_VOLTAGE 1850 V #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples 110703bwasa15_1 110703bwasa39_1 110701bwasa34_2 110703bwasa11_1 110702bwasa33_1 110704bwasa07_1 110701bwasa39_2 110630bwasa24_2 110630bwasa27_2 110630bwasa20_2 110704bwasa02_1 110703bwasa30_1 110630bwasa38_2 110630bwasa02_2 110629bwasa43_2 110701bwasa18_2 110702bwasa23_1 110704bwasa03_1 110703bwasa06_1 110703bwasa16_1 110703bwasa47_1 110630bwasa05_2 110702bwasa47_1 110701bwasa37_2 110701bwasa08_2 110704bwasa41_1 110630bwasa48_2 110703bwasa37_1 110704bwasa19_1 110630bwasa10_2 110705bwasa07_2 110703bwasa05_1 110702bwasa08_1 110704bwasa47_1 110704bwasa13_1 110705bwasa05_2 110703bwasa10_1 110630bwasa40_3 110702bwasa37_1 110629bwasa35_2 110701bwasa38_2 110630bwasa28_2 110702bwasa24_1 110703bwasa04_1 110704bwasa06_1 110703bwasa03_1 110702bwasa26_1 110630bwasa50_2 110629bwasa41_2 110702bwasa11_1 110702bwasa22_1 110701bwasa14_2 110704bwasa14_1 110705bwasa12_1 110703bwasa35_1 110705bwasa03_2 110703bwasa48_1 110701bwasa31_3 110705bwasa16_1 110702bwasa39_1 110703bwasa44_1 110630bwasa29_2 110703bwasa20_1 110630bwasa47_2 110701bwasa19_2 110701bwasa47_1 110703bwasa24_1 110701bwasa28_3 110702bwasa25_1 110701bwasa48_1 110704bwasa18_1 110630bwasa08_2 110629bwasa47_2 110629bwasa36_2 110630bwasa01_2 110705bwasa11_2 110705bwasa29_1 110703bwasa12_1 110702bwasa30_1 110630bwasa07_2 110701bwasa15_2 110701bwasa30_3 110702bwasa17_1 110705bwasa27_1 110702bwasa46_1 110702bwasa38_1 110629bwasa33_2 110704bwasa04_1 110702bwasa12_1 110630bwasa06_2 110701bwasa23_2 110705bwasa30_1 110629bwasa49_2 110630bwasa15_2 110702bwasa50_1 110703bwasa02_1 110704bwasa35_1 110701bwasa32_2 110629bwasa48_2 110629bwasa42_2 110702bwasa03_1 110701bwasa50_1 110704bwasa21_1 110629bwasa32_2 110701bwasa25_2 110630bwasa43_2 110702bwasa18_1 110701bwasa24_2 110704bwasa34_1 110704bwasa39_1 110704bwasa38_1 110703bwasa49_1 110629bwasa44_2 110702bwasa32_1 110630bwasa46_2 110630bwasa09_2 110704bwasa44_1 110703bwasa50_1 110705bwasa28_1 110630bwasa04_2 110704bwasa29_1 110702bwasa43_1 110704bwasa27_1 110629bwasa50_2 110704bwasa10_1 110704bwasa08_1 110704bwasa24_1 110704bwasa09_1 110705bwasa20_1 110701bwasa42_1 110704bwasa17_1 110701bwasa27_3 110701bwasa21_2 110701bwasa33_2 110630bwasa16_2 110704bwasa36_1 110701bwasa22_2 110630bwasa44_2 110702bwasa05_1 110701bwasa11_2 110702bwasa09_1 110630bwasa18_2 110703bwasa33_1 110630bwasa49_2 110701bwasa09_2 110703bwasa23_1 110701bwasa17_2 110630bwasa19_2 110702bwasa40_1 110630bwasa22_2 110702bwasa07_1 110703bwasa41_1 110705bwasa06_2 110704bwasa11_1 110704bwasa42_1 110703bwasa09_1 110703bwasa45_1 110703bwasa32_1 110703bwasa40_1 110705bwasa08_2 110704bwasa15_1 110701bwasa26_2 110704bwasa48_1 110705bwasa26_1 110701bwasa03_2 110630bwasa33_2 110629bwasa38_2 110630bwasa45_2 110705bwasa14_1 110701bwasa05_2 110704bwasa28_1 110701bwasa01_2 110630bwasa21_2 110705bwasa17_1 110703bwasa38_1 110703bwasa08_1 110630bwasa39_2 110704bwasa30_1 110701bwasa35_2 110703bwasa29_1 110629bwasa37_2 110701bwasa43_1 110702bwasa16_1 110703bwasa36_1 110705bwasa23_1 110702bwasa02_1 110701bwasa06_2 110703bwasa01_1 110704bwasa37_1 110701bwasa44_1 110702bwasa44_1 110701bwasa40_2 110702bwasa13_1 110701bwasa49_1 110705bwasa15_1 110630bwasa26_2 110630bwasa12_2 110629bwasa39_2 110630bwasa32_2 110705bwasa10_2 110703bwasa31_1 110630bwasa37_2 110702bwasa42_1 110705bwasa02_1 110703bwasa18_1 110702bwasa48_1 110703bwasa42_1 110701bwasa13_2 110702bwasa20_1 110705bwasa21_1 110705bwasa25_1 110701bwasa04_2 110701bwasa36_2 110702bwasa06_1 110704bwasa50_1 110704bwasa12_1 110705bwasa01_1 110630bwasa14_2 110629bwasa34_2 110704bwasa43_1 110630bwasa31_2 110702bwasa45_1 110703bwasa27_1 110705bwasa19_1 110701bwasa46_1 110701bwasa20_2 110703bwasa19_1 110704bwasa05_1 110705bwasa09_2 110703bwasa17_1 110703bwasa14_1 110702bwasa28_1 110702bwasa41_1 110630bwasa03_2 110629bwasa46_2 110701bwasa41_2 110630bwasa36_2 110701bwasa07_2 110702bwasa14_1 110630bwasa35_2 110704bwasa01_1 110701bwasa29_3 110630bwasa11_5 110704bwasa33_1 110703bwasa43_1 110630bwasa41_2 110703bwasa13_1 110630bwasa34_2 110704bwasa23_1 110701bwasa02_2 110705bwasa22_1 110630bwasa25_2 110702bwasa35_1 110704bwasa46_1 110705bwasa04_2 110705bwasa24_1 110704bwasa45_1 110630bwasa42_2 110702bwasa10_1 110703bwasa07_1 110630bwasa30_2 110701bwasa10_2 110704bwasa25_1 110705bwasa13_1 110701bwasa16_3 110704bwasa20_1 110702bwasa29_1 110702bwasa31_1 110703bwasa25_1 110704bwasa49_1 110703bwasa34_1 110703bwasa46_1 110705bwasa18_1 110703bwasa26_1 110702bwasa15_1 110704bwasa32_1 110704bwasa31_1 110704bwasa16_1 110702bwasa04_1 110703bwasa28_1 110630bwasa23_2 110702bwasa27_1 110703bwasa21_1 110630bwasa17_2 110704bwasa26_1 110702bwasa49_1 110630bwasa13_2 110703bwasa22_1 110701bwasa12_2 110629bwasa40_2 110702bwasa34_1 110701bwasa45_1 110704bwasa22_1 110702bwasa21_1 110704bwasa40_1 110702bwasa01_1 110629bwasa45_2 110702bwasa36_1 110702bwasa19_1 Factors Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Squamous cell Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Squamous cell Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Squamous cell Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Other NSCLC Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Other NSCLC Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:Adenocarcinoma Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:Adenocarcinoma Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:70-74 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:45-49 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Current | Diagnosis:- Age Group:55-59 | Sex:Female | Smoking Status:Current | Diagnosis:- Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:70-74 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:50-54 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:55-59 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Female | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:65-69 | Sex:Male | Smoking Status:Former | Diagnosis:- Age Group:60-64 | Sex:Female | Smoking Status:Former | Diagnosis:- xylose 1421 1151 1126 1376 1011 1072 1218 1699 2171 1598 832 1135 1004 726 4132 1380 999 960 1180 1090 1086 1075 1532 959 2380 466 1214 770 298 895 976 1249 4585 424 514 1253 1085 5118 1167 545 1089 2578 1661 814 784 862 985 3525 646 893 1298 1108 471 1115 1680 2241 607 1150 1241 1370 1463 328 1314 2147 3949 1120 1009 1619 1573 3562 409 846 1767 618 772 1977 942 960 1004 1252 1032 870 1092 990 1045 930 1068 834 1248 1142 3335 677 8833 712 1069 2067 2162 1463 2601 484 804 976 322 2686 1363 3406 717 3129 592 673 553 1185 6355 1269 3174 1830 537 854 1696 2447 385 1210 327 2169 858 777 372 939 1014 1278 325 1557 3496 1322 2489 495 1142 1070 667 2093 612 6251 1061 1468 2215 943 3707 1704 1086 4132 5999 1061 2385 1213 694 1017 819 945 1055 3274 471 1019 491 819 2057 1361 497 836 940 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28498 26151 23698 27554 26665 36839 35602 22255 33629 21455 19704 22167 17516 25486 23492 24001 25499 34769 31879 36619 23098 14616 24596 22131 27967 22774 20688 32177 29278 23864 25087 12693 23135 16233 34595 20217 18366 18337 33211 20558 29100 20619 25596 27120 tryptophan 25063 26257 19828 25589 26707 20888 24137 26049 26868 29568 26330 26179 24283 17360 23131 11208 14875 20649 34680 23200 25556 19442 29591 20440 25501 23925 21668 14321 21244 30700 26503 32961 20728 26618 23541 23640 29935 17988 34026 33934 19885 28010 14003 21577 25066 29643 23023 28751 27213 25591 22305 18946 18456 20745 16213 23548 13603 21145 20267 28918 20179 18958 32636 15156 37483 17277 20653 21406 27540 22014 24892 16136 22591 26054 18121 9310 23053 21503 20962 27269 11597 20181 32554 24026 26509 18749 25177 21798 28316 22359 15879 20707 21286 14953 19465 26971 25899 14248 26158 17481 28009 25817 29664 23264 11849 27374 20880 25728 26660 24825 18977 21573 42602 25675 23124 20543 28876 23079 38398 21079 30754 28557 24167 22185 26471 19910 21622 19692 20313 17459 29588 16109 17455 26118 20291 28345 15410 17048 22082 31671 27730 33771 28255 21627 23244 20516 22333 30685 29304 19019 34479 24831 13764 18917 22217 19791 21385 20302 42265 23373 7004 27727 25962 23203 21362 20862 41038 19060 23109 20775 29152 31253 23824 36622 19620 21818 22951 18970 18477 26905 21748 21720 22834 23633 25171 29761 28566 37382 20928 17138 37776 19290 28322 25405 25059 24235 21104 33949 23059 37084 21056 22256 20836 16962 32587 28819 22985 19074 25664 27715 32369 29947 22736 31744 27950 17868 20561 31110 23967 21245 18316 30111 45519 27606 23154 27917 17941 28000 16634 41624 26628 31889 18152 101 28918 20384 32456 26049 21555 32465 36199 17643 24628 37922 22071 40137 26393 31811 21727 17195 23115 38386 31298 21808 26042 25791 19844 17131 25377 22717 34187 21248 21584 28146 20354 17921 20617 19967 28981 17376 20251 18637 31200 26341 37490 27174 15989 23563 24337 26302 18438 23898 23082 23805 19304 25776 15607 20720 16467 30834 34518 15834 17593 28166 22470 21742 25688 23209 23178 tocopherol alpha 2692 2408 1655 2592 1905 1849 2043 2554 2014 1906 1018 1658 2558 4051 1245 1577 2013 2460 2485 1048 1853 1553 2432 3241 3419 860 1880 6971 1731 1871 1009 2196 4300 1861 1661 1833 2164 4237 1863 1182 1681 4998 1944 4110 3616 2132 1201 1626 1688 3097 2570 1115 1165 2242 2218 2767 4223 1197 4658 6023 2958 2122 2726 1615 3460 1658 2137 2292 1202 2530 2717 1468 1557 1396 1585 2965 1779 1820 4791 2553 916 5150 1419 1481 1431 2046 4261 3605 3471 1818 1483 2099 3041 1718 1774 1430 2159 2076 1392 1313 2811 1933 1535 898 1766 2397 2061 1619 6860 2564 4100 2249 1746 1801 1570 4294 3776 2193 2863 1416 2767 2863 1657 2798 1896 2332 1802 1666 1800 929 2044 1554 1384 1481 2983 2615 1649 4530 1743 2462 2889 5638 3001 2763 3362 1870 1500 2617 1984 2395 2919 2357 1671 1483 1433 1385 1776 2523 2330 1362 1266 2469 2007 1793 5198 4644 2188 1370 1958 2971 1879 1505 2499 2576 2312 1843 1922 1493 1625 2332 1573 2550 2157 1480 1298 2460 1002 1890 1723 1490 1270 1736 2074 2665 4128 4059 1965 2154 2123 1435 2130 2035 2015 500 4436 1466 2170 1796 1722 1522 1184 1934 2353 2554 2357 1536 994 2983 1492 1506 3441 2999 1309 1747 3248 1744 3891 2895 1530 3556 1800 2333 1513 1760 6184 1808 3888 1695 3293 2287 3493 2127 3889 2622 2113 3612 2566 1755 1322 5988 1907 1793 2592 1631 3787 996 2987 2198 2969 1733 3000 3226 1937 2891 3052 1516 3325 9113 2858 1767 2258 1262 1532 1896 3246 2212 1926 2071 2824 2343 2575 1853 3742 2934 1233 2846 2002 1460 1592 1046 1691 3671 2154 4001 2447 3804 1912 1633 3542 threonine 16010 20106 12435 24069 16152 16297 10442 19583 23852 19639 10769 22859 18415 11150 5252 21099 12226 18172 17877 16634 17585 4280 26364 11689 18977 15016 1847 17686 17054 1625 25879 31755 20984 13395 15693 13463 16950 14787 20162 19210 11108 20262 10904 11515 14263 18721 13212 13690 14684 14257 15144 16694 22292 13261 15331 15213 19569 14403 16996 18649 16549 1559 28842 14793 28646 10062 28767 20916 25770 8230 14995 1800 2385 17891 3566 26482 16126 22172 20372 4759 15845 11808 25739 30694 25437 14109 13989 10641 15272 1686 22077 20714 1756 12788 23903 14399 19600 11662 21329 14723 17839 13833 18634 14887 8376 1963 22912 20580 20989 23785 16072 23614 4278 17627 11112 11648 17192 14635 22164 2535 20408 17966 29657 18478 21062 15641 24014 9922 17781 20411 21931 15083 17803 20891 2538 16672 14298 21756 9570 12042 18469 15039 21672 1747 20188 16968 20696 26870 17626 16296 18217 23749 20360 14481 13751 17951 22968 17547 13406 27251 9608 20096 23724 16569 14544 15219 22634 2195 14826 16251 12906 1752 18192 13595 27940 20517 24387 20559 13696 20261 16854 12829 19797 20000 24413 12380 28243 29947 14244 12826 26859 13150 20288 13524 12365 19993 1579 24778 23512 28999 17372 29191 19156 16028 23725 24021 18702 21111 22925 10377 19435 17089 16451 15989 26875 15382 24620 15965 19141 16367 1761 16150 29757 21137 9817 20546 11827 12987 17553 21278 31044 19143 15552 2228 1549 14103 1572 18479 15468 1995 13545 18922 21200 30269 15086 18741 18394 18042 15887 17712 12718 13588 15864 19082 17718 14759 13774 2238 25046 19167 3311 17059 17126 20548 8929 16084 10379 8257 18334 17979 13592 20682 16851 17050 15452 21197 11455 15117 16964 16500 21795 18694 14019 20065 19704 13135 1035 19300 17031 18362 23262 11235 9995 17044 17975 10552 25173 19028 10454 threonic acid 1059 1430 206 1952 2771 335 877 1178 1540 1039 870 195 548 298 2683 813 960 104 4183 576 123 530 1914 1026 1667 286 698 952 842 274 3021 3080 6174 261 975 7120 1402 4140 1446 2313 1248 1715 843 709 2661 2165 221 2636 1789 1778 1133 500 1226 2240 1657 9306 2588 332 2725 1550 2007 192 1638 2022 2977 819 288 201 388 775 1146 323 1162 357 252 1582 808 738 1372 679 268 960 265 257 1272 152 1775 2562 788 679 2141 265 6281 350 761 202 1449 1830 1756 201 2127 1347 276 4135 1010 4682 2174 1946 2152 2939 5643 1078 4637 337 2373 1165 691 1791 1941 1727 600 494 1245 1459 648 1463 327 351 4148 370 686 310 2543 1533 1878 1991 457 1116 290 1344 556 4518 1520 1361 1403 3564 2378 1367 1008 2806 1077 1606 212 403 1638 415 1927 806 716 2390 1570 1001 429 1917 1250 841 259 257 1791 2674 488 1628 548 775 4176 2842 1527 273 221 3551 1384 425 1063 1028 2184 1218 882 339 4849 181 541 901 197 636 4520 379 231 1137 587 1369 1374 2931 881 1325 2896 725 1633 1006 181 2254 525 1394 885 2237 1405 1673 234 180 1398 563 3187 4768 3395 1868 1156 960 1759 693 3792 3677 493 4737 624 256 4063 648 3060 1973 2434 1227 1326 455 1008 2457 4315 2292 546 410 1167 3782 1190 1109 1396 350 1141 1893 2597 227 2748 1303 853 2573 1461 4289 1202 896 3123 691 1068 1180 596 532 241 417 1084 931 2168 1799 874 4900 1439 1411 1313 1621 2995 2271 968 488 598 1392 1007 1155 1692 392 1092 852 1393 624 2329 threitol 1256 383 671 1320 931 324 1494 1058 1873 1003 284 368 100 862 640 133 708 335 1397 707 377 795 1940 1277 137 296 1142 280 242 738 258 989 1590 386 275 272 1019 2844 1398 1780 1211 1582 1087 1100 271 852 1209 150 83 1060 1274 194 250 379 345 262 220 895 408 1034 453 627 1203 103 131 790 798 1346 1061 859 255 1258 886 1305 124 266 258 937 834 153 131 848 719 287 1015 898 997 557 1045 702 81 270 843 114 1116 1090 376 995 1251 961 907 1331 260 1441 816 1202 1519 1013 281 364 332 357 119 1188 2238 777 333 233 281 989 223 1372 276 978 330 197 182 230 279 4222 231 737 86 1409 1515 366 1846 888 976 153 704 813 383 91 930 1269 98 97 738 84 815 341 256 311 381 1278 391 393 346 240 230 894 404 272 862 1211 860 669 356 1283 263 153 149 345 592 1110 994 246 980 662 535 554 893 425 342 1568 1005 1002 334 679 899 1170 943 1292 340 1508 767 1630 121 268 1012 942 1163 401 1576 1145 228 649 621 235 288 876 1677 889 405 289 324 108 1159 335 907 751 483 276 1218 1130 678 277 285 3941 1149 1349 979 729 1414 755 1011 121 1182 1448 391 783 913 329 337 985 1272 1214 291 101 338 1211 1387 303 262 268 321 1023 642 1189 1247 111 276 328 761 250 1053 992 1279 329 188 284 360 1061 725 282 247 215 1586 503 1143 1174 1605 1078 251 1394 691 793 544 1049 829 3500 258 699 342 1237 158 1552 1146 taurine 8512 8371 2170 9668 4248 10030 4750 143 104 99 5652 4342 86 110 112 111 7769 7634 3660 3205 5980 61 5820 3795 149 3929 96 5054 4987 82 7967 14296 7606 18880 2841 11508 11797 93 7961 4887 7688 80 8059 5413 6552 6171 2837 119 10574 17121 5014 101 8143 5679 5004 8493 8051 3480 5915 4635 9041 87 8604 124 68 4911 6347 3024 6396 4506 3924 60 77 2463 88 10162 6689 4106 9106 76 75 4824 7896 18584 5788 11236 4931 6154 4381 7398 123 3861 83 91 7234 4114 9133 2497 73 6187 9687 6063 6406 1132 5514 96 7278 76 3955 12516 9181 3388 106 10214 75 73 2930 3000 8076 103 4182 4364 3348 74 4272 9230 8553 2845 12551 6172 6208 5624 63 5137 93 7011 74 102 7869 76 7434 115 5962 101 87 8438 123 92 5904 131 5602 7092 8194 10737 8589 2512 9017 3322 3486 5120 3359 5406 7304 7615 64 121 4924 109 4760 74 3907 62 113 4129 6696 5573 77 8311 6903 4125 6613 5873 8043 8098 6700 7574 73 4687 3570 5328 6490 7501 8158 7335 3840 10639 80 3633 166 14142 4732 104 5275 4707 11014 5394 6690 146 4506 3306 7310 86 2594 3932 6372 4179 6098 64 4679 6455 105 3511 11060 11239 5573 137 2328 8572 12763 8983 5774 6354 2945 111 91 2428 134 9673 4381 125 3019 1909 132 3938 3845 114 6052 123 6573 101 11659 167 4687 3584 3076 7312 3750 74 4028 10549 89 82 5548 5050 4261 5698 6872 6118 5379 8393 4500 10434 8331 2568 6883 5759 4123 3415 5207 3944 115 7486 7036 82 4038 6078 100 3205 112 5663 6296 5409 4833 4882 4228 5464 84 7904 5445 tagatose 76 244 368 536 472 303 267 95 98 92 321 231 114 108 96 97 492 1239 217 310 470 123 472 458 124 125 87 175 92 90 71 386 200 263 98 56 374 80 339 339 256 109 216 125 368 384 388 231 388 365 322 79 236 137 295 88 372 197 179 520 280 102 364 94 74 194 319 239 521 164 73 74 144 473 95 378 99 373 260 110 89 149 406 58 661 342 424 306 530 105 118 54 140 126 387 245 163 310 91 488 410 329 113 308 243 87 283 85 127 141 385 396 106 311 75 65 154 255 73 85 117 372 121 81 409 134 80 306 72 962 162 210 103 169 89 153 86 86 189 123 281 130 381 91 154 324 124 121 187 87 281 462 66 316 148 296 168 426 355 401 297 200 114 324 70 104 419 85 144 86 54 77 146 138 463 297 79 89 305 331 397 371 262 241 725 232 77 315 117 270 328 304 390 332 152 92 76 401 131 401 327 95 380 161 383 352 328 116 477 976 62 82 470 512 106 63 150 109 1630 159 90 476 415 81 215 92 140 187 252 517 450 527 420 113 110 269 123 93 558 98 103 199 302 125 305 80 298 108 80 93 79 119 204 139 83 102 194 60 327 198 99 87 103 173 310 81 158 348 371 172 321 274 170 77 396 195 107 137 247 400 158 318 317 115 194 381 82 334 112 316 308 240 89 436 123 114 153 397 256 sulfuric acid 292 745 256 259 107 93 182 117 83 181 81 198 117 132 92 101 106 66 151 225 306 96 191 134 479 142 102 380 81 142 2015 241 117 236 489 599 389 80 150 83 132 84 316 226 89 117 326 93 112 227 132 105 971 1065 293 787 474 172 1753 206 394 118 63 103 82 101 212 218 305 309 108 151 121 92 98 366 358 174 155 125 117 288 110 1680 436 352 118 86 158 131 201 174 108 278 438 178 157 386 90 86 387 92 107 98 110 80 72 133 152 121 129 287 120 246 68 126 278 573 148 109 75 190 81 69 144 104 79 120 1205 215 163 682 81 297 336 126 72 76 339 300 153 188 328 92 398 183 114 135 268 116 270 151 565 104 143 359 499 210 370 902 876 85 134 668 294 98 132 84 1451 233 76 105 191 3187 357 748 91 81 275 206 104 128 124 172 1635 155 551 229 129 164 460 215 96 140 1431 76 114 85 94 737 230 103 122 290 105 377 136 106 87 471 905 311 206 762 534 89 102 286 88 340 129 211 205 1081 83 177 89 146 1104 215 121 133 247 88 92 120 108 615 62 138 484 311 448 163 236 107 154 90 74 242 827 120 426 209 836 865 215 92 160 107 87 349 88 1891 127 106 227 199 229 329 213 556 1023 174 139 115 77 285 281 174 149 168 167 203 88 257 137 105 89 102 158 568 82 77 199 136 105 246 132 sucrose 193 82 333 247 470 294 226 123 109 23 90 98 99 173 86 142 82 112 452 84 274 307 294 96 366 167 75 193 236 256 261 91 224 42 66 123 99 105 126 82 274 144 212 55 217 62 153 39 73 107 121 385 253 496 480 181 243 47 422 54 577 81 81 99 100 27 67 151 184 116 81 71 106 108 206 210 212 167 479 84 158 38 52 134 237 90 147 257 45 39 107 79 101 210 41 23 120 664 87 72 6 110 41 89 250 200 157 60 201 42 84 139 118 288 271 67 191 22 98 109 94 154 175 111 542 84 212 53 115 321 237 178 60 64 514 203 83 78 45 107 539 122 161 240 146 86 89 124 86 122 96 144 39 217 48 335 133 16 162 56 414 155 187 10 64 124 133 200 31 105 88 131 166 172 343 124 320 500 288 267 104 87 302 234 61 48 302 277 39 129 152 85 167 404 183 445 79 267 111 65 352 203 185 171 127 290 45 123 63 145 119 189 152 131 372 134 182 175 91 295 249 224 109 64 103 27 121 41 392 222 181 127 265 105 112 117 97 230 80 176 206 123 141 63 76 141 206 296 134 64 11 182 159 182 80 148 136 181 54 410 80 121 135 217 84 127 108 27 40 21 168 121 82 159 66 41 136 132 43 152 176 133 50 225 111 14 236 89 20 352 212 2799 217 135 387 220 227 230 337 succinic acid 574 515 133 451 600 339 75 356 141 104 424 405 660 351 523 349 388 482 796 451 483 69 742 61 575 149 690 478 80 63 84 693 482 471 91 475 634 104 653 126 85 512 580 385 398 514 473 709 111 93 471 95 57 173 388 560 661 69 239 511 621 72 603 900 69 68 487 81 574 58 67 87 641 440 57 545 82 458 893 73 104 101 91 77 633 462 111 376 59 363 77 83 89 97 536 501 104 77 82 615 78 69 89 96 439 517 89 88 136 147 235 544 68 826 740 67 181 415 81 85 73 463 72 73 479 461 109 352 521 567 84 199 81 87 484 503 81 658 93 753 326 102 530 627 705 480 425 90 591 627 84 568 65 457 166 506 605 604 402 132 102 321 212 658 636 507 137 94 202 715 65 519 81 132 607 748 114 64 165 535 91 85 56 589 90 86 579 850 151 67 613 468 77 490 223 104 53 85 104 129 918 657 656 129 607 445 589 107 376 82 98 596 64 63 137 442 138 118 104 148 638 675 511 80 85 63 424 353 847 603 561 661 542 82 119 89 654 705 379 490 404 139 84 117 621 92 369 94 61 697 120 710 679 147 666 100 107 416 59 617 445 705 88 161 90 91 438 541 526 146 436 719 205 381 528 131 63 84 97 518 392 490 431 539 64 449 53 507 121 104 550 83 108 82 146 307 72 618 337 stearic acid 34307 55868 66570 36159 37699 45325 67252 46603 63879 69238 22369 33238 33222 69377 33477 40605 33719 38471 53466 26877 25925 47573 36948 73657 59258 31395 66994 33448 30279 58188 28423 53117 49521 31531 30860 50034 44070 46660 31955 64631 42665 68379 37932 46827 34661 42776 54910 51851 63866 71184 42651 44685 23770 34215 25790 20971 24484 47964 21978 41009 31936 50888 39902 67611 44385 49863 34481 58270 42840 72551 48569 64573 60471 51141 53165 44589 34620 33284 39340 61629 46522 51638 47830 23957 32960 42065 43812 34759 68307 50622 40148 46080 45353 67763 34616 24153 33212 48409 60885 45204 52031 49082 53111 70040 47231 67784 60973 44648 45536 49874 60510 39524 61290 47078 61389 50999 46559 44671 33301 58023 48569 36363 44760 62114 50636 54167 28733 33677 31365 54361 37429 46480 48341 46485 42544 45300 40696 74540 53608 60478 74179 51736 44106 67775 88473 32087 39663 74453 30588 68893 51099 32530 29723 30321 36266 29432 31641 33032 29072 33192 28113 43521 42666 30011 48450 57218 76286 55624 28724 57774 61114 62363 77550 32543 26282 46350 53694 37295 83124 43821 81968 61206 55650 26408 21991 57744 63352 36546 28571 61826 44567 83112 62873 51869 26265 47477 53580 66398 44346 30107 27209 64691 50046 13426 43151 27165 39006 52908 48925 37026 18809 70880 50326 48761 23151 37385 45303 64308 36679 21401 68331 34190 39327 38019 51362 38241 36964 46453 32422 39728 38414 29337 31187 57808 59665 56982 64450 84698 55855 46174 86246 46187 45520 26720 20383 81203 25696 69573 30497 48048 39652 75599 44256 27142 25309 23615 24741 62330 40793 44768 60515 75513 49281 20742 76735 24116 34081 56743 29752 16276 37268 28864 31537 48033 60374 38731 38556 40786 61193 36059 55969 36486 43651 49864 18492 58412 41359 27312 41279 93823 39201 59082 61307 52330 35586 65876 52995 29074 46042 serine 26808 23668 12943 22450 19858 18405 11056 20214 23645 26775 11928 21362 15497 12264 13496 13655 15780 15871 16999 16520 13424 13790 22205 11720 14986 20146 20949 15265 14229 13009 19906 28581 13776 25057 17291 26737 26661 15369 24313 18976 10565 15828 16131 15506 12879 17837 10762 16701 13968 17511 12041 12156 15159 14132 13315 13461 19815 16743 19984 16161 18734 23553 26461 14534 17308 12610 21845 19816 18411 11735 19020 13025 16682 13865 12625 20042 19698 18900 22384 10141 13258 15041 18163 28415 21045 20986 10771 11830 12339 12151 15694 17949 14255 8902 19959 17814 20568 10686 14649 11474 24325 10091 17636 14023 12871 18885 21418 16137 13756 25103 18500 16359 17421 26780 14168 13337 13191 11346 22949 19514 16307 18712 14653 12777 16469 20900 20432 9939 15695 17590 23532 12745 15652 23741 10732 17783 13838 15601 16668 6702 13568 11309 17574 17562 13122 19317 20898 30400 16931 17519 17471 20507 21022 20549 18686 16642 20535 16745 10584 31916 46722 14961 24494 14129 15812 14827 17949 15936 19365 11383 11757 20523 12848 15779 17774 16887 18855 18025 12909 14682 17734 12718 16623 16244 22926 13506 33006 38322 14112 14066 20195 18842 16820 12666 15316 15537 13021 13328 18018 29906 13695 17882 17109 20160 22342 22116 19740 17804 13258 13881 23733 16305 12633 16096 31108 14001 20943 12520 20553 17892 20544 20979 25883 26835 13117 16200 12005 16020 19167 15180 24336 13365 13005 23343 14255 12784 20716 18120 12929 16484 19308 12673 17548 22243 16716 17665 17673 21362 19145 16146 21294 13457 12999 21253 13622 18743 13310 11547 16371 19088 16688 14387 16169 21093 11536 10717 11891 11386 21801 16395 12697 22923 23975 21640 14459 18319 10053 12475 11071 16246 16344 17612 11543 17100 18521 13136 9030 11316 17068 14916 13687 12195 13255 17057 18550 10348 12537 17768 11382 salicylic acid 294 86451 141 254 874 705 94 279 21878 120 731 144 112 158 9536 113 321 155 128 156 7366 8945 2902 99 16377 17656 156 176 64 405 316 563 14168 155 56 98 219 505 421 326 103 416 224 215 172 274 274 89 116 207 282 1207 9905 226 246 126 18713 97 155 287 50911 140 271 123 104 11960 8743 93 391 430 90 10621 2428 436 153 330 11039 5107 980 2119 125 78 178 105 195 233 10052 201 1720 99 155 119 101 81893 11395 153 127 120 4164 36625 6191 96 122 90 112 125 84 78 49420 138 1417 221 2016 259 129 192 146 22740 2160 568 13867 329 128 128 16811 50410 49727 272 2813 92 4829 96 106 4524 69478 143 2920 120 2197 843 261 290 386 1920 17714 247 48874 231 277 22235 37957 158 72 26103 161 309 34532 961 245 237 16900 87 207 18630 108 1687 92 110 169 1493 99 7787 131 230 239 222 128 10716 89 195 90 71 172 422 125 399 112 232 138 101 235 70 24541 111 246 166 134 1131 663 274 9255 13069 203 451 29424 151 20501 157 9626 74 101 119 89 101 159 1383 170 102 91 154 157 1145 290 51978 2839 97 212 188 246 341 25129 320 155 289 170 90 167 36467 12643 6960 386 3254 94 183 189 161 235 122 82 197 143 232 231 186 87 105 7149 9327 90 240 121 10568 255 190 120 13040 206 9712 1016 143 229 40900 228 161 3750 1497 5195 97 108 218 136 4312 239 189 16626 129 78 199 14069 95 326 10451 382 11766 998 109 218 10068 20782 ribonic acid 164 236 63 193 242 199 61 131 111 109 167 203 92 64 81 89 214 166 205 135 215 94 317 64 125 239 96 281 227 84 292 273 106 286 381 355 203 83 311 109 60 86 181 346 248 270 304 309 84 109 219 100 455 325 249 534 246 108 377 245 220 89 158 88 103 108 203 93 203 86 161 88 97 104 90 73 389 201 231 69 118 98 71 284 232 177 106 366 88 56 91 240 87 85 441 311 286 57 81 86 111 90 210 98 98 113 79 82 373 245 409 339 106 328 110 75 443 164 428 86 231 265 299 77 189 274 467 209 289 103 151 117 84 64 97 545 90 85 83 79 86 92 266 84 95 297 109 116 237 84 102 312 427 171 439 208 241 423 231 67 603 67 293 327 86 116 122 112 301 72 158 78 126 417 268 482 116 246 96 294 142 66 108 288 580 108 55 277 607 105 362 103 105 116 273 101 96 93 116 123 285 119 305 329 400 244 222 136 112 271 221 81 86 114 533 273 338 122 108 272 95 240 242 226 77 100 203 167 74 425 218 285 212 81 71 63 79 66 134 117 345 102 102 265 275 116 216 94 249 53 295 124 242 7893 286 355 327 97 103 222 144 54 184 505 71 209 213 215 211 305 208 231 246 207 113 251 173 223 79 290 106 272 294 70 271 257 85 174 115 111 225 118 230 238 244 108 80 219 102 rhamnose 1508 1241 715 1623 1664 2466 1065 803 706 746 916 1508 1063 668 539 1490 742 1380 1172 1208 952 1564 1634 1278 353 712 1803 755 1191 750 1605 691 1115 812 996 1599 1147 887 1922 2135 1178 876 841 1052 1341 1238 2483 732 1912 2454 1036 441 1299 835 1023 1404 891 819 1347 1520 1263 954 1629 574 516 1165 1672 1056 1489 961 872 771 972 2286 208 391 789 1192 1515 1176 520 1103 1916 1285 1313 1583 1783 2736 1484 280 274 1018 954 550 763 1187 1235 1113 2507 1673 954 1200 1196 734 1545 956 1527 2027 1714 710 872 1165 438 1791 898 1329 2208 1228 1563 369 1195 1412 897 317 1240 1014 950 1257 886 1138 1137 909 361 856 917 845 283 706 1315 481 1074 238 1200 740 750 995 1187 998 1225 646 1313 980 724 2271 1280 1041 1106 1172 949 836 1040 1852 1101 801 664 1096 1270 709 1172 1319 824 644 428 938 1088 1645 1284 805 1312 1202 1069 977 1751 934 1085 1086 2020 1019 1864 1160 903 1283 1267 1168 1350 1281 296 1223 785 909 1230 823 1224 1255 707 1218 972 1030 1933 737 1248 374 1182 1457 1807 1464 1215 358 1241 1008 1996 2073 1056 1015 1099 2096 1064 1164 1381 1560 1676 1203 1393 270 1035 1198 842 310 2087 1484 1598 1024 580 899 1270 559 1790 516 1199 519 1130 597 1237 859 1474 890 1375 477 1086 1287 919 456 857 2297 1071 695 1065 2035 1139 574 1073 999 834 1171 1066 1331 617 631 1446 1284 705 722 1196 1004 1591 2415 309 1162 351 2700 1420 4733 470 1660 671 944 601 1257 1449 quinic acid 162 1001 283 555 499 247 865 338 204 365 371 256 570 366 351 129 287 601 323 185 452 317 373 577 417 260 323 425 469 437 383 461 471 541 775 246 771 501 228 291 327 434 247 128 412 319 372 394 961 477 364 191 1138 514 570 653 393 481 333 391 181 539 233 197 442 167 484 294 456 116 231 928 421 284 291 979 768 380 923 474 373 209 226 296 515 1036 597 239 536 641 571 229 626 334 334 975 285 413 518 365 1306 491 389 354 328 550 411 328 323 271 335 576 445 409 336 280 149 348 2026 325 403 1076 425 542 415 817 514 222 691 109 238 317 2248 735 284 296 1061 291 94 190 234 494 131 562 121 106 219 663 149 481 188 1165 240 255 649 228 115 359 814 685 123 308 614 2133 170 149 547 287 554 437 338 205 390 268 238 322 720 420 385 902 478 337 535 204 830 897 291 517 273 395 210 191 316 440 348 186 432 744 268 414 217 356 525 490 1000 677 368 328 249 401 464 544 339 446 524 505 217 244 397 278 566 545 335 270 336 218 112 194 392 249 447 402 514 518 387 212 200 392 383 389 526 223 190 316 337 641 153 262 349 504 1613 182 245 384 248 390 166 305 469 334 126 392 297 291 571 307 411 200 844 200 298 326 304 69 1532 225 235 278 184 284 634 143 172 731 592 454 490 389 293 553 203 1148 326 430 287 73 439 593 287 pyruvic acid 4911 15154 150 10430 9510 8348 130 3103 13269 6271 4301 6990 9436 3407 4284 5064 1241 5758 1876 2925 130 72 4180 6778 1678 8296 80 8713 3319 14652 9427 72 5155 3664 8410 2969 107 6117 1304 2668 4237 3090 4486 2626 1928 5667 3057 5780 1793 145 1696 64 736 201 203 2269 6227 5426 11572 980 12434 4157 9377 177 8324 4241 3449 3903 1880 72 4576 1716 109 158 1886 82 5420 3316 1946 2361 2468 1804 2157 3125 3938 2975 3649 121 1257 1357 6962 3935 3236 169 5904 3775 8050 11837 9855 6752 4675 2147 1439 5305 3665 5094 6089 8118 3889 7161 6019 5826 6214 3101 113 10657 143 3418 150 7802 11792 80 2495 3766 83 2202 7212 2957 63 2079 101 2576 1563 3735 675 77 3718 3109 6544 3244 1641 7431 2424 1476 4234 13873 2316 65 9140 7462 6967 188 95 7280 3415 7227 131 4275 1493 4455 4846 161 7091 3166 128 2282 1667 65 1899 73 3339 1118 6641 3922 156 3539 2498 146 6931 10357 7522 5818 6859 1551 4166 147 2108 5210 1358 831 1661 960 66 98 187 1457 140 2791 113 3430 7337 1318 7002 11847 72 3902 112 1749 10259 3557 8458 9700 6948 4985 3686 121 4413 108 3281 6419 9220 158 8930 4865 2829 2938 5065 4959 2109 107 2484 3763 6501 618 64 90 5921 10643 1008 2556 5701 59 6450 159 1873 1106 1007 1028 6460 2896 7266 4490 8990 4159 4494 1443 1440 3029 2294 2057 3230 2662 7302 2536 1495 4128 6051 115 9067 6068 119 6028 3077 2929 7572 4444 2195 pyrrole-2-carboxylic acid 121 299 165 323 156 143 271 230 416 289 129 213 293 189 254 160 99 107 158 94 163 281 183 192 432 442 298 175 170 187 455 400 207 157 206 392 222 330 204 187 244 261 86 147 153 266 139 326 166 212 94 194 235 347 147 285 205 265 291 262 312 196 229 215 239 283 211 287 162 150 169 257 237 200 180 331 432 127 121 211 107 193 181 503 229 162 214 81 154 246 133 177 242 235 218 131 271 216 206 178 156 245 159 145 150 262 203 164 341 358 222 276 115 188 336 204 182 226 468 283 341 224 232 153 168 164 282 124 224 387 180 196 139 293 294 497 184 224 169 272 127 299 220 339 371 150 153 278 127 165 199 155 191 213 348 346 305 175 199 547 150 154 190 359 260 284 194 279 427 284 232 274 288 332 235 286 283 296 232 234 135 227 242 107 438 129 595 318 448 184 282 231 248 244 289 210 207 193 270 671 214 294 251 201 130 221 205 105 206 141 465 439 261 147 357 157 341 258 198 334 216 227 233 319 295 189 158 156 370 172 133 129 268 248 195 260 210 375 170 276 272 380 375 542 285 212 149 288 194 297 347 218 186 198 318 257 213 348 180 275 233 442 261 548 249 130 101 137 150 256 177 382 383 107 278 392 173 199 106 201 213 138 174 307 322 144 126 204 124 158 162 250 179 250 382 168 180 238 188 pseudo uridine 1227 1247 729 1058 1038 1800 1149 1101 994 1033 874 893 1194 649 818 1191 784 616 1171 1081 1150 945 1905 975 737 1033 1370 1066 724 722 1081 907 1563 762 1024 846 1023 1899 1108 1034 834 1306 968 788 797 1314 1532 1313 722 1324 1536 1475 407 347 1014 1637 669 774 791 1115 1869 956 1365 738 847 635 593 1174 1195 781 1038 1364 858 1480 605 1192 887 1137 1118 857 781 619 770 839 1237 922 1295 1807 971 736 596 660 1052 1539 1103 1006 510 742 1109 955 968 1031 1016 1042 701 1265 672 743 1303 708 1146 1039 648 1272 1121 820 1407 820 1260 758 1050 1022 1029 1016 1218 904 803 822 465 4358 746 645 742 848 1017 455 1429 1024 722 833 639 694 1053 979 624 893 661 783 832 828 817 1249 882 929 756 915 656 1258 992 788 4279 715 1188 1068 598 991 999 672 802 1371 655 766 876 1388 753 1013 1147 844 889 830 664 804 771 1575 813 1347 1098 1047 953 949 1045 1335 1288 1096 889 1770 801 1556 712 527 723 976 949 295 1729 995 841 904 1210 486 684 867 771 1023 851 1335 414 960 720 999 712 1053 683 635 1296 830 814 1146 886 2697 869 1485 1143 820 1411 756 1100 591 867 1877 1599 696 1039 843 725 1009 763 724 1013 861 635 1325 826 312 842 701 932 1268 707 954 797 790 691 817 772 190 1124 1195 692 416 614 688 689 1344 1163 652 534 1200 1590 1124 645 862 1312 888 814 1012 1086 768 697 1457 881 4193 843 862 668 739 910 1020 853 proline 58084 77197 32110 121300 92227 75869 49626 81050 162004 62568 59832 91749 126046 77422 101739 119541 55006 76631 40160 61183 109574 105477 122704 46188 92328 101674 78033 24436 88203 52155 62292 157142 69391 39977 77237 48655 57917 111235 142252 78175 48319 126631 31567 43278 89626 101217 66424 87905 41764 53774 144290 95462 76284 74525 34385 114451 55242 60550 55374 144530 169884 62196 163476 51143 129594 64335 85284 76865 100960 33765 49240 77914 76251 85585 74128 88423 65887 103827 92087 102741 90372 41719 51431 115821 87556 52498 83038 59807 32127 69870 62535 77110 68758 56613 63968 80486 52614 34420 125787 70898 88101 67790 53377 17694 29405 74250 105179 81593 80838 62984 47962 77522 80159 92235 89424 67320 86522 53448 124834 90605 130555 134561 56481 61150 81353 41335 86408 50747 37504 272730 82181 44594 54781 122485 88920 139253 78898 51388 43621 40459 25668 64195 82313 75439 64732 68773 78598 66176 80441 70099 105494 118455 53780 116499 132835 86102 113667 53313 82163 88136 56081 90984 109462 80369 53756 100166 85623 73166 77470 75867 67888 94815 81093 62495 89863 74919 81942 60641 39046 113068 52432 48162 96978 89892 110637 52853 113568 113830 99246 26258 73577 54463 85850 60821 43980 145250 61153 120091 111776 125603 69734 81707 66415 65198 158401 67089 49169 63762 81394 50583 121568 89899 93176 72466 104473 67189 91212 97493 63524 142165 59481 62553 97696 63497 68033 130317 56142 85284 96662 183189 69577 84459 149194 63563 65891 56484 76113 82673 54063 78532 75119 56367 51631 136643 59514 66397 87352 106236 50624 69005 52264 75059 96386 44479 90935 57888 72157 92737 66162 63610 111592 95555 86779 80416 50680 75776 57417 51818 45084 96674 81818 106224 66900 51906 53624 63198 27751 71135 33292 49133 92302 91004 80267 89576 99944 58180 27670 109176 71041 93021 54692 68178 67720 80832 71103 49537 74872 96153 34893 pipecolic acid 951 99 66 1007 149 4167 80 3329 4488 108 699 104 128 139 231 98 94 96 619 412 115 234 107 3150 875 3492 112 103 94 136 99 2780 2147 168 85 70 108 147 380 192 419 119 595 91 3887 95 87 3516 212 420 491 134 132 248 78 116 109 107 245 103 96 409 1274 602 1393 399 86 84 616 288 507 5826 562 756 101 2594 299 306 501 782 151 86 1593 99 79 123 12939 535 251 93 1149 110 410 867 3233 118 138 348 163 192 88 101 96 150 76 116 665 757 112 1155 154 668 1025 111 108 233 176 224 162 509 88 129 742 1103 85 1496 93 435 1044 93 271 749 125 76 377 833 86 125 625 70 125 119 469 81 1295 527 136 7956 124 564 656 99 92 593 228 95 2016 212 111 97 98 682 139 96 100 202 303 99 202 919 106 171 106 167 105 99 1432 99 87 106 175 73 2112 294 125 1483 120 790 129 146 153 2683 84 542 214 729 105 271 113 94 92 2453 708 812 114 107 84 158 486 103 85 730 96 86 185 75 154 119 122 547 608 89 77 60 101 117 83 332 102 105 424 1448 305 140 452 410 551 87 72 127 126 110 128 1058 162 92 137 112 80 690 533 118 1355 285 94 105 141 105 88 103 1536 717 467 1606 96 310 81 345 94 465 249 665 179 84 575 112 80 1001 84 97 144 108 81 129 80 123 139 81 3989 1680 117 127 85 79 129 151 125 1039 520 p-hydroquinone 272 382 99 353 177 563 628 114 108 706 181 174 108 113 96 197 111 120 102 112 72 167 168 133 150 192 148 101 196 120 240 423 339 405 181 334 243 591 546 120 503 92 135 204 212 186 151 107 174 351 110 218 134 244 235 161 146 449 353 122 606 125 439 108 262 525 347 103 130 112 535 163 196 178 149 196 133 138 114 96 232 146 292 231 212 152 143 125 166 105 188 118 234 400 147 110 231 119 102 94 137 134 352 88 119 112 224 221 835 829 380 176 253 118 104 122 177 335 222 98 297 374 181 167 234 266 320 449 878 351 432 436 865 298 270 1194 640 81 116 196 156 296 881 79 159 181 116 638 182 76 236 142 105 204 12854 204 263 123 376 168 212 158 221 202 133 133 163 69 249 156 274 81 120 250 229 125 109 155 95 233 115 103 206 134 120 1051 583 177 275 112 124 96 146 177 333 104 105 140 140 253 171 139 196 123 147 171 141 132 110 131 250 530 121 130 873 711 242 161 118 158 118 591 479 112 230 161 335 161 179 640 912 160 163 215 446 365 116 498 744 86 675 123 146 1104 190 121 194 90 164 121 189 123 161 9199 161 213 186 107 181 180 118 131 178 293 147 119 86 120 326 297 153 215 287 122 115 176 356 123 158 136 121 175 293 136 124 188 118 174 145 169 367 144 730 124 232 212 145 182 106 phosphoric acid 14387 13564 5978 7866 10241 7738 5710 7646 7739 11730 8489 7996 9097 24024 8378 5216 5941 6901 8020 6433 8138 11015 5223 6402 7950 6933 5320 12925 4630 11899 10344 15280 6895 10677 6874 16863 8707 10558 11361 4742 4766 8217 8155 11784 7643 11402 6763 4717 5845 8338 8799 5378 6070 14759 11225 12775 6560 9678 14097 9891 23030 7164 13067 5257 9204 7033 10612 9122 6025 8702 6284 10651 8000 5920 5262 14053 10619 10905 6154 10780 5876 9466 8321 10608 7070 10591 8750 6449 13194 11400 10228 10843 8226 10744 5220 8591 9788 4730 6372 13570 8357 5259 7229 5333 6495 5374 9651 7593 19665 16132 15373 8716 8787 10501 4385 11616 10743 7828 16087 15061 7602 8830 7217 6458 6825 7436 6219 6796 13782 10310 6761 9768 4324 6630 9840 8979 10046 9280 8359 14755 7628 9380 14449 7463 8169 13230 6441 10178 7025 13424 9451 9020 9855 6652 12688 6521 10608 21519 12186 11310 10580 9369 12576 13196 10570 9371 6983 6688 12697 9413 7975 4865 8830 15833 11245 8080 7142 5637 4255 11004 7513 9060 9038 6962 12279 10517 10096 6375 6393 8529 7701 11552 13532 7077 12984 10439 13092 15096 10536 10960 8737 9420 9847 4163 1264 5532 13301 8623 7192 7722 14441 9126 5025 6435 9154 8540 7887 13160 8311 12632 9373 6108 11072 12327 8826 4126 11873 9281 11929 21175 16331 5551 8033 12096 7783 9720 10000 7799 9621 7676 10411 9802 6414 9990 11574 6611 14892 10829 7589 10429 15209 6166 14087 6817 11082 11272 12900 7825 6623 9192 10826 7860 9635 14878 11399 5024 6775 7061 12995 8963 12594 9072 9130 9350 12372 11970 5921 5526 10213 10379 11099 5309 13539 10059 3741 8855 11083 12430 6361 5295 11497 10493 10511 6756 6380 9509 7520 10507 8059 phenylalanine 14630 11293 10361 11653 10155 11478 10385 9450 14395 10540 7724 10119 12060 9912 10581 7601 7260 9869 13151 10671 10754 10123 15342 9164 10852 9478 15472 7356 9690 10319 8817 14037 10498 10663 8997 10716 12414 11857 10912 14691 9991 11188 6810 7676 7661 8215 8767 13910 9623 11571 11088 9989 9718 10676 7255 11318 6204 10452 10362 11522 10143 9740 13145 7736 15168 7747 8799 11665 17378 8764 9355 8846 14767 12677 10106 10284 9941 9158 8541 14230 8171 7334 13393 13817 9632 8585 13782 8810 8287 9488 9290 8823 9385 8576 8919 11207 9472 7440 12315 9857 16023 10070 12179 10361 10079 12801 8516 12238 11324 13416 9361 8363 14035 12992 9891 7944 9948 9094 17222 8401 10761 11582 7684 13246 9302 8238 10901 6548 7599 8076 9235 7920 7573 12827 8034 11753 8884 8939 10601 8325 8364 7390 11916 11272 11558 8964 10862 11369 10158 8230 12507 11487 10717 11775 12553 10168 8623 9431 10035 12278 6617 9199 13083 10255 9540 8738 13452 8190 11704 10771 8901 14128 11051 10747 8973 8479 6571 8834 8968 11939 10079 7281 8461 11274 14397 13333 17062 23341 9217 6222 16175 11281 7795 12773 9845 13138 8132 13522 9913 14027 8037 8217 9828 8791 12650 10003 8922 9000 10783 7001 10794 14627 9443 10954 12740 7538 9918 11517 11077 11262 7620 10074 13552 14380 8763 10928 6222 10144 9097 21201 11005 9673 9993 11066 10113 8179 12494 11312 8978 13076 9896 6758 10893 12169 8671 13725 11112 12482 8216 12470 10241 10437 12180 10009 8986 10074 10372 9488 8639 9252 12831 11796 7233 19291 7840 7135 8698 8506 10939 7322 7172 12166 12673 8269 13864 7871 6747 10224 10526 10165 8410 8419 10585 10681 8114 8855 5288 9375 7658 12369 6711 10770 6062 11719 8501 9182 10067 9376 9087 pelargonic acid 6808 17873 9499 7687 8934 5021 7641 9123 13801 17828 2439 8556 6668 5156 5819 9894 5840 2407 7763 5822 5208 6676 6745 12435 14817 2553 19471 6156 2951 12811 7183 9314 8358 7770 2076 6201 18513 13321 4506 13109 7273 16989 7282 7665 2199 8040 7271 7230 7611 8981 8242 9552 3710 7875 7181 7927 6631 8751 10021 10452 7557 9378 5414 10012 7666 7487 7924 9498 6357 11156 3485 10881 10962 13291 8091 6745 12107 6971 7942 7741 9302 12445 10688 7852 6315 8759 4879 1891 13409 7856 8753 15487 12958 8021 5611 7621 2850 8793 9479 5230 5769 7101 2775 9998 6091 9497 4884 5768 4717 4309 480 3550 6363 5977 8632 9859 7026 6613 8838 9977 3289 6415 3180 8493 2395 2604 2183 3238 14979 8219 2159 10087 8943 8099 12865 8150 8254 8896 9485 19350 13642 11321 13367 7462 19839 8934 8148 16846 7031 10289 10645 7255 10762 4013 8459 9573 11882 7625 10509 10409 2801 10161 6038 11175 10392 6898 5636 7041 8813 28059 5253 6885 11704 8936 9266 8036 7836 4039 12056 8872 7891 12356 6706 7494 14356 8092 10471 10899 4293 9558 6955 12349 9175 11723 11059 8576 5330 8352 7133 18136 10186 8714 5886 5656 7104 5362 10377 11175 7809 6901 10935 14357 8050 8431 10244 4765 7293 5176 8959 7744 10241 5854 7368 6142 6502 6308 6375 2169 21862 10353 8191 6894 5229 11122 11675 8162 11445 26503 8309 9962 9645 10669 7091 4664 6688 9237 10018 8128 4822 8104 14104 7926 5921 5419 13168 8548 5578 6372 10993 8154 10982 7978 4659 11353 7604 2163 8585 9294 8186 8226 7139 7788 10276 6421 11979 3368 5144 2942 9358 8185 9623 7394 9785 6612 1987 5783 6618 7347 7872 7806 7767 10487 5136 7732 2265 15266 7245 7686 6395 paracetamol 113 106 249 899 121 85 745 164 10741 144 99 104 136 448 135 78 91 112 138 758 112 115 127 105 115 149 151 101 99 98 142 377 134 165 78 1566 92 4887 153 115 1265 169 568 414 138 101 150 163 1018 164 109 127 132 186 214 3998 109 113 657 146 82 136 111 611 144 83 208 152 283 338 76 2108 93 151 117 143 104 99 118 129 496 77 139 160 106 122 1667 985 94 100 265 111 124 146 1527 115 2894 195 130 135 138 125 84 97 127 1650 121 142 10381 141 137 91 163 215 252 78 196 85 20016 113 107 84 115 116 107 108 75 121 1266 27475 130 6524 121 2048 3107 153 125 116 809 2182 112 1606 80 433 87 127 116 159 157 118 4357 94 411 121 146 105 89 107 93 102 111 110 159 755 102 132 490 107 134 127 99 92 165 176 112 87 277 92 103 116 178 2220 158 984 840 148 954 154 153 3833 107 89 118 3884 8854 3681 98 143 141 106 165 107 389 219 98 174 115 131 102 1736 323 124 6388 174 165 81 116 105 115 144 159 80 94 99 1013 142 106 112 3119 151 5932 139 95 102 114 93 971 93 74 128 100 98 143 115 96 158 147 151 128 461 112 159 146 180 161 121 169 82 116 115 200 125 100 219 86 90 121 140 1233 159 1250 90 196 93 104 113 73 95 97 76 361 115 75 112 78 119 136 102 100 126 129 169 97 94 151 122 129 1340 97 parabanic acid NIST 592 737 685 689 566 501 887 570 571 545 401 481 778 534 722 738 373 464 370 298 465 505 613 713 752 689 1047 644 444 821 474 621 738 505 364 438 535 831 547 679 816 693 420 417 309 411 432 963 605 513 353 706 417 682 583 493 551 953 715 556 2996 450 414 632 572 661 497 329 407 563 429 629 498 644 413 641 610 393 501 677 914 742 701 560 578 626 623 368 621 604 508 716 578 537 552 292 459 814 799 633 518 750 448 478 600 734 657 514 513 634 608 692 397 392 687 495 502 612 1023 526 447 579 453 489 413 373 356 393 510 584 446 666 533 694 660 518 374 772 579 870 642 602 641 633 597 495 928 557 437 490 550 452 552 472 582 650 429 531 628 630 475 545 707 741 543 454 613 783 744 1013 397 876 587 711 657 797 673 366 577 608 635 530 572 339 617 473 813 372 542 515 419 546 615 636 719 667 661 706 784 782 580 562 476 547 427 583 471 591 646 548 575 615 772 712 721 412 622 545 578 505 472 459 476 424 773 821 302 378 724 496 434 349 476 503 506 551 594 644 598 819 704 695 678 565 520 586 336 609 407 777 415 461 504 1379 525 474 532 709 580 556 540 763 421 854 630 434 486 477 537 453 491 578 539 462 349 423 335 336 793 549 462 416 426 650 424 548 544 438 527 576 406 880 344 756 507 823 804 625 566 palmitoleic acid 1275 1867 1468 449 325 1302 776 1719 317 2819 227 609 508 559 288 491 211 465 3386 1203 259 516 521 3743 334 662 420 721 282 372 1121 601 1268 1020 381 4786 804 607 430 674 334 1375 528 976 972 883 4501 423 2187 1305 361 614 369 1222 394 335 278 790 472 593 540 633 982 4355 479 951 567 1622 762 1304 907 483 3005 665 340 970 1527 653 560 1245 326 1406 1297 441 656 685 473 1494 4474 1363 333 4435 1490 3930 676 357 2076 471 1166 1565 908 764 3126 688 3353 2379 929 387 1410 1716 1433 2981 1756 1224 3338 1481 1947 1366 352 2261 941 709 2399 3363 1229 992 319 462 321 7124 276 487 356 986 845 890 487 3751 605 3430 3031 325 585 3041 1609 1281 470 892 614 1829 3196 622 759 408 667 384 937 278 376 688 275 740 4918 275 582 1703 1001 702 371 381 1219 565 423 758 346 5247 1323 534 3346 2552 3081 1675 551 628 144 1711 556 1251 542 3694 946 12989 660 393 390 568 579 576 834 258 295 1884 1991 343 3886 409 1506 572 533 3680 315 706 378 654 332 1673 6706 1058 389 439 5605 590 314 989 1041 464 625 1506 410 503 746 1528 357 1347 1550 1567 3053 3481 1800 479 2180 618 642 357 363 824 404 651 1137 452 2676 649 805 594 819 218 501 721 742 1180 941 1504 703 381 1253 260 555 2432 1177 507 1071 1038 560 2579 920 842 288 970 1871 1027 478 729 9071 764 268 2810 314 300 300 595 438 367 814 326 911 1062 217 397 513 palmitic acid 4403 7763 6508 3832 3028 6732 5995 6478 5885 8144 1844 3404 3460 6449 3021 3926 3048 4014 8713 3491 2098 5030 3267 11953 5603 3862 5786 3522 2847 5676 5074 6129 5818 5312 2941 10128 5360 5996 3297 6165 3861 9637 4523 6699 3734 5286 9735 4467 7516 8667 4886 3819 2342 5747 2896 3118 2373 4125 3335 4721 3130 5289 5132 8904 4476 5350 3256 6144 5327 8835 5966 6118 7591 5329 4912 7425 6842 3393 4284 7186 3822 5781 5406 3661 3688 4867 4058 4786 10387 6062 3184 13062 5979 11459 4010 2424 5676 4107 6830 5482 6010 5103 6861 6811 5097 10297 6426 3593 7817 8580 10562 5930 7906 4836 7852 6947 9157 5423 4068 7991 5871 3941 6414 10372 5836 5069 2679 3166 4244 7275 3820 3586 4393 4272 5737 5699 2990 9908 5990 7872 8919 4734 4648 8385 8223 4487 3003 7098 3272 8396 7116 3664 5074 3561 4889 3139 3506 3830 2700 5614 2526 4063 11166 3776 4597 7686 7553 5423 4395 5459 7809 5397 7054 6064 2502 8755 7046 3781 9961 8040 8584 7368 4911 3077 2495 7495 5592 5591 3371 7525 5580 15410 6392 5205 4267 6072 4755 6166 4735 4845 2923 7954 7040 1942 9076 3273 5691 4408 4508 8741 2468 7143 3933 4192 2697 5439 11601 8817 4648 2731 11044 3257 4640 5261 5616 2966 4447 5770 4639 5034 5373 3795 3038 7516 7909 5801 11022 9899 5718 4618 11583 4238 5051 3624 1855 10679 2686 7755 3737 4754 9092 6866 5071 3804 4853 2949 3906 6060 4090 5742 7403 8593 5448 3456 7501 2177 3440 7953 3861 2567 5370 2998 4913 6721 6478 6299 4025 5264 7131 4481 5895 4666 10694 5979 1668 9604 3685 2328 2677 7809 3486 5254 5866 4102 5281 6408 4891 3212 4089 oxoproline 38412 53749 37549 43416 34924 48960 38380 40995 42718 44656 25467 49378 31502 35900 50488 30761 27754 31955 35391 31500 36300 74230 41718 41256 41223 37031 37016 23293 30264 48435 54760 57703 37158 32312 38106 47078 57835 48307 47829 115786 34714 39551 30534 26384 28994 32319 42466 42739 52460 43518 34027 37094 43970 34953 24017 36848 34733 29486 37663 41935 34239 43531 36290 31189 35562 25732 41471 45925 37133 27975 46584 41326 41244 86010 30935 38857 44717 33082 40548 45593 22893 32563 38902 58828 37233 48235 57348 28945 35352 61444 34814 34581 37099 51932 36723 34925 37345 38494 49782 50427 48901 33402 41569 149207 36203 41935 36368 37326 46078 41376 30994 46132 36339 51864 51181 37541 42128 33427 52981 46189 43802 35184 34731 39898 38066 34664 48229 28211 34658 49245 42266 30408 31343 46393 56032 45416 33805 42168 36977 32599 36901 48335 49079 34383 40887 38934 35230 51018 35785 37003 37650 41435 39182 39786 28681 43150 49950 42130 33717 46181 44316 36429 36485 32184 34672 28776 71014 36044 35739 38929 33601 42543 47557 39784 37123 55948 45367 53469 43699 29859 69773 31535 45137 34708 50338 41572 51416 69961 41612 25629 54200 42358 48753 45794 32197 38551 39710 64247 35660 59291 30360 41808 27867 38030 44503 35300 30205 32093 37420 24575 37157 38873 39706 53503 47991 34908 46249 39804 102412 38529 45972 35423 37465 52036 29087 40978 22202 38862 62163 42578 37343 33237 29623 55360 49661 28061 41050 51789 43612 43802 39181 28014 60985 58469 40242 37819 35846 42621 47323 39710 50056 32548 36373 31414 30751 31310 24626 45959 35337 51757 35589 52534 37981 61291 40317 31500 32688 22290 33725 35112 27994 58943 43537 31404 48372 46067 32628 35328 37478 38006 39887 33250 32819 56215 37856 34569 29973 29776 29168 57998 26851 34484 36579 42457 35663 34011 42115 39962 34208 oxalic acid 12783 28504 8135 16801 17523 13566 15654 7012 16904 1961 8823 10475 10504 1634 17096 14270 8990 11013 17863 26558 6154 13787 19545 15017 16902 14369 11997 12985 12675 2081 14276 21192 14015 16463 15810 23152 12381 25026 14743 302678 8563 9969 7331 51890 10249 16456 37083 13864 937620 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17712 23819 17199 9857 15281 11147 21323 20178 49654 12712 16920 11108 1506 2352 8262 10276 17982 11645 16711 37654 14616 12250 12986 19173 17290 16586 27713 11139 20916 30655 9420 34690 15635 9823 14170 12787 11855 13240 18797 13344 15747 15612 20866 12431 7390 11638 13141 23708 9547 16217 8466 12434 27676 11314 17523 12672 10722 12447 18760 16380 11707 21539 12601 12776 31919 1564 13683 12561 1041803 11872 10086 10060 8849 15078 29310 2952 13311 11845 ornithine 29192 36430 16566 31575 23851 21762 24639 27482 24020 27205 15192 24105 21867 18969 31721 31182 22789 23705 14717 13325 20269 30309 43076 22206 26814 20025 35822 14501 27410 24256 29152 39821 34751 23346 19762 27981 34783 20094 35581 31494 21221 25636 16669 13780 19677 20074 23051 31383 27132 29665 32862 18954 25095 14366 17162 45884 20834 16296 17860 23905 25395 24595 28366 15276 31536 20936 21376 25715 29589 14560 21513 24679 22048 31729 21360 21234 27532 16262 30364 27948 23725 20558 30117 42096 28043 32816 38757 15867 24566 28372 22399 17511 32229 21381 31409 19382 15406 14358 31049 25213 29890 27656 24016 14990 16048 32985 27208 37868 27618 33451 17797 21072 25198 31928 21221 13646 12243 23046 41535 24159 29243 34344 19490 26807 21662 28454 28613 20205 14052 32906 25057 10830 31629 29785 14493 23554 18327 28900 19383 22171 15175 17165 27121 30539 17853 22064 22703 29613 21377 21162 27631 23657 26013 25888 22548 26563 23619 22970 16722 35896 19100 23436 20090 33150 23356 16319 46806 19105 21459 27023 19405 27481 35033 18854 25401 30548 29637 22375 25081 27326 28502 19350 35604 14050 35359 27124 32953 39230 19628 12758 32476 21655 19074 30863 13283 27889 21529 29750 22229 50270 15819 26586 17417 16535 28413 24222 15417 23012 29400 14464 39432 32158 19422 31496 28423 21850 18251 21481 28464 24353 28555 23610 35701 35459 20748 24582 10634 25914 26544 43277 25690 22771 23124 20981 26609 15936 26850 30018 21304 35115 29379 14803 24265 25523 23484 23346 30468 28956 21333 19889 14224 19592 21020 12368 23007 19651 16642 21354 23753 21868 25343 28877 24205 19959 16520 23646 30107 18058 24791 17778 21485 31593 26083 14225 23099 22980 14534 22690 29540 19671 23587 30036 22544 24516 22966 21258 12285 17841 18557 34184 20388 24812 14735 26758 15984 18171 21159 24601 18210 oleic acid 1585 3291 2178 1009 449 1988 1390 2098 1098 2910 122 1075 425 1282 68 591 197 1729 3573 1814 199 860 754 4473 550 1245 338 1042 508 1158 1394 1712 2112 2039 570 6118 1178 1049 607 1040 394 3529 630 2615 1220 1804 3765 433 2516 2183 1714 593 241 1424 727 507 325 1170 807 1098 466 1191 1530 3853 763 1282 699 2136 1971 2502 2121 733 2728 87 650 2316 3069 998 782 2936 446 1718 1363 544 932 1370 852 1609 3599 1586 84 5259 1858 5022 1552 349 2145 581 2050 1173 2235 1082 2884 94 1556 3321 2268 526 3137 3033 3994 3260 3573 1630 2764 1841 3108 2519 858 2431 1782 1146 1838 88 1606 1513 385 557 349 2771 850 483 950 920 1116 1295 463 3153 1128 2526 2321 510 1553 3582 982 1557 468 2132 574 2965 2653 956 1639 700 1634 457 737 1240 547 1899 522 887 6067 837 503 2644 1678 910 1323 850 2586 480 1319 1792 403 4765 1752 849 3507 3029 2740 2248 570 383 181 2288 540 2170 759 2967 2406 7333 1670 825 969 887 798 970 603 609 388 2267 2495 350 3568 1153 2336 920 774 4014 223 1033 494 638 247 1977 5682 2895 1562 344 4582 602 2085 1357 1567 469 1645 2215 1053 1316 1295 1070 530 2670 115 1978 4366 3319 1837 950 2924 1302 701 294 298 3478 439 1303 1469 474 4149 845 1142 822 1145 434 1034 1358 438 2105 1480 2242 1214 643 2437 290 646 3412 1349 365 2121 433 793 2872 1412 2433 1235 1861 2150 1819 797 1389 4951 1433 163 4356 201 367 86 84 510 573 914 304 2256 1383 615 262 279 N-methylalanine 4490 9393 2811 9157 7465 8811 4469 8485 11698 13635 7033 7242 9517 8717 7611 9918 3439 5879 11399 11950 5820 5152 11822 5188 8873 15590 3122 3181 5592 5390 6003 13581 3260 5815 7028 6690 6801 6524 11686 3427 3420 8674 6012 16420 5720 7572 7456 3036 7655 3194 4430 6688 5564 11474 3267 8484 3381 9124 8587 9534 12615 7045 12380 9244 10831 6075 4932 9775 5445 5330 8313 5493 1830 6013 7518 6257 5968 5089 5833 8557 4883 5087 11085 4932 7682 6627 1980 5817 6138 6187 5554 14572 6295 7765 9345 7683 9316 2707 10998 10501 8715 8563 11542 3149 1761 8864 6328 8365 7732 7457 6205 5784 11638 5647 7556 9123 12164 8425 8011 9538 11268 9753 4812 8320 6277 4763 9013 5795 3348 2901 7931 4892 5624 6989 6069 7863 3472 12616 5613 4620 5519 5552 10370 5415 6637 7540 7224 11583 9147 7585 7828 14558 7919 7898 9185 7959 10526 5348 5213 10940 7214 4001 14599 5594 7286 7423 10136 7740 7849 4817 5934 10041 7891 10917 5634 4982 14988 5756 4079 9001 2667 7310 6595 6905 6077 6768 8006 9730 8310 5480 23978 4020 5788 4862 7529 8226 8652 7585 10106 13695 4753 11426 13105 8001 9169 6115 15426 10270 6718 4345 10196 12536 6259 7452 5873 5118 5496 16146 1578 6210 5513 5989 11383 14191 4266 6083 6385 6282 6990 11472 5960 15315 5654 14207 12949 6255 16500 8505 4612 7432 15487 6470 6233 12595 4944 12120 7800 8367 4442 6798 12723 5856 11318 10139 5870 7763 7329 6176 6193 9067 11342 8983 12848 9936 5482 4043 5738 3852 8117 5475 6634 5899 6902 8161 3278 10389 3455 4530 5451 8630 6967 4671 6220 7700 6202 9673 3158 5749 9785 6477 5100 4485 3245 9079 9476 8020 7256 9304 4930 nicotinic acid 124 157 110 144 158 88 97 201 468 2495 1093 3376 207 2508 136 136 107 6527 234460 47690 99535 117 32253 87 559 5642 360 338 27788 132 190 197 75 218 112 201 162 451 93 115 81 395 115 26533 532 7762 88 301 134 87 88 126 124 33665 5385 70130 7796 77 4592 94 136 244 160 710 118 97 72 114 115 98 105 146 243 131 114 47079 134 69836 108 1809 151 135 90 147 3641 149 105 3268 70 135 83 133739 135 82 13017 98793 150 123 241 158 100 107 147 135 96 354 103 132 171 214 169 113 3740 165 313 133 154 168 112 275 80 136 126 621 91 105 111 93 109 93 95 106 127 92 353 134 108 224 113 546 92 151 114 308 1621 93 140 758 99 148 86 123721 148883 107 158 135 3729 101 135 142 114 121 22384 19546 2781 160 108 213 4006 266 109 391 241 189 173 163 233 109 104 80 131 93 72 162007 251 98 587 144 203 121 122 121 73 103 192 578 107 178 159 147 105 170 10514 291 23116 2606 10917 132 74 37467 131 163 61 100 209 130 164 3982 90 483 161 131 136 93 86 123 167 120 193 193 117 78 114 217 279 114 324 327 74 184 109 120 271 125 131 217 155 142 93 750 135 169 104 71180 25174 17125 11248 286 83 269 1141 305 104 307 105 64633 93 160 97 222 106 94 216 24844 106 635 94 142 102 196 449 83 105 163 787 10737 114 2444 143 161 116 176 159 85 14553 98 182 139 80 myristic acid 723 823 933 358 558 806 926 976 803 1111 324 410 569 762 490 556 590 368 850 388 325 755 351 1325 904 102 807 350 228 831 699 974 630 741 356 1383 723 731 667 836 520 1126 720 848 551 662 1153 778 1118 1037 739 738 443 930 435 462 435 566 612 747 399 689 678 1413 513 771 517 770 663 1148 766 901 1595 964 889 1332 717 539 771 1007 721 843 721 920 513 876 646 523 1293 742 618 1139 1126 1462 525 370 633 823 1252 812 745 682 719 1002 794 1721 866 474 797 939 147 957 872 1125 1249 802 1258 590 611 1207 710 512 865 1226 701 618 478 522 807 1059 631 962 906 789 828 104 504 1296 783 1133 1111 641 752 1205 1015 910 677 880 506 989 845 459 744 567 641 796 682 491 609 868 441 766 1475 579 1060 926 799 900 400 734 109 750 705 791 555 1300 940 840 1603 1043 1259 1022 634 523 322 1142 788 624 212 958 652 1772 788 659 823 642 617 958 728 965 603 1096 823 173 1157 508 472 860 747 947 545 1041 696 737 439 671 1402 1312 607 166 1476 460 678 613 612 524 637 706 735 972 990 470 460 1080 1398 856 1274 1204 1086 647 1519 945 844 867 377 1127 526 1432 397 649 1280 922 878 126 568 411 567 806 694 1233 962 864 1064 530 876 256 490 1190 598 159 739 730 991 826 790 120 898 601 1105 523 720 779 1317 762 230 952 755 481 543 1254 621 923 1046 639 124 899 973 479 592 methylhexadecanoic acid 746 1368 1467 465 1002 1040 1454 1063 1165 1512 726 890 467 1171 400 599 1079 903 1095 1123 742 802 1054 1902 993 518 560 936 765 1054 655 1128 1073 702 647 1293 790 906 887 854 707 1580 1250 1571 791 890 1227 761 1434 1865 849 701 272 333 599 520 728 1021 386 666 804 562 1067 1476 781 957 716 1420 810 1764 1177 432 521 862 831 1008 870 1487 703 1068 842 1041 936 246 965 871 694 647 1532 419 616 1151 967 1616 687 783 799 862 1136 745 1183 1052 1188 1081 748 1719 1112 1156 1134 1466 1633 1167 1225 1283 992 902 1316 1083 607 1339 1057 782 413 1956 960 1107 594 560 543 1364 955 845 1166 1021 777 858 715 1237 1019 1169 1470 738 1103 1379 1166 920 563 1212 787 1593 1377 680 837 689 434 757 542 978 520 1066 509 1205 1228 458 896 1362 1146 898 309 1096 405 1031 1111 363 758 1247 987 1043 1786 1053 1362 1492 976 895 288 1321 1068 985 370 1457 1076 1711 1361 948 527 811 457 1022 488 854 857 1319 1001 278 1367 678 883 971 753 969 226 1676 752 784 296 853 763 1541 713 330 1334 807 982 682 1003 1068 967 1137 772 1131 875 858 597 1318 1437 1488 1650 1449 1298 777 2290 1048 822 277 655 1543 734 1514 717 765 979 1134 1293 448 545 215 698 1038 807 1176 552 1347 1055 396 1493 266 692 1642 743 308 987 517 353 1496 1133 851 639 1053 1167 752 1002 909 928 877 243 1696 844 750 1079 1531 706 1100 1341 816 831 1140 746 548 899 methionine sulfoxide 327 305 265 535 349 357 404 323 286 212 229 321 313 181 363 477 306 259 347 255 264 275 550 377 434 263 288 230 147 235 358 544 448 216 172 396 303 283 386 261 318 347 319 268 260 500 338 325 290 368 310 449 485 409 329 465 349 316 458 491 368 287 321 246 759 288 339 390 339 251 223 174 258 254 233 172 453 252 316 245 489 326 391 344 364 265 285 351 337 217 311 256 239 240 432 331 243 432 286 266 437 316 145 208 337 317 331 592 255 220 235 397 232 548 239 258 260 355 289 254 173 415 173 248 273 296 196 211 268 352 183 260 488 453 174 227 322 256 244 404 438 213 422 227 297 504 502 229 460 291 417 500 393 293 751 360 315 528 301 375 116 279 321 405 319 285 350 186 493 456 179 281 236 477 416 508 273 183 405 384 268 307 300 291 542 379 350 613 263 311 531 439 303 431 425 291 232 319 280 265 295 211 297 391 437 344 406 335 422 296 313 354 371 547 508 176 355 181 232 211 222 457 191 545 297 363 345 258 184 753 282 447 401 244 367 263 285 465 377 299 327 336 193 246 493 244 379 269 223 373 310 350 336 2138 281 423 308 259 337 381 234 267 155 699 373 140 724 394 321 237 186 276 452 232 401 239 175 167 390 234 356 294 375 252 164 302 184 295 515 325 334 433 159 445 256 308 260 424 358 methionine 3049 4026 2336 3649 3573 3477 3107 115 141 4324 1988 3424 139 97 90 110 2374 2533 4293 3579 2893 3293 5596 3534 3850 2539 136 2160 3613 2684 3562 6428 2905 2468 3113 2627 2545 131 3592 87 3004 150 1939 2264 2216 3522 3327 111 2964 3120 4302 3739 3597 2654 2187 2915 2270 2361 2403 4012 3115 2301 5293 120 136 1897 3242 3655 4221 2204 3065 80 90 141 3415 2708 3201 4097 3723 93 120 2090 4626 3677 3207 2605 156 2773 3021 1880 2498 3540 87 113 2949 3015 3349 1866 165 87 3370 2582 3544 1554 1338 119 4106 4964 5238 3932 2614 3194 90 2381 1901 89 3320 3080 6212 95 4201 3699 3232 87 3379 3202 3207 1992 2132 2957 4201 2477 151 6060 2921 3507 2262 111 1989 97 4097 3213 3788 2919 3446 3002 117 76 4727 107 4854 4106 2946 2744 2862 2824 3398 2811 2889 4598 1828 3744 5023 3301 2949 173 125 2374 2774 3151 3560 5108 103 4223 3338 2650 3323 2664 2590 4169 3154 2028 3018 3379 5053 4121 93 5425 2439 2038 7441 3623 3593 3678 2533 120 91 5195 3917 5533 2963 118 3330 2765 4170 3211 3341 129 3109 2306 3028 4014 3828 3206 6022 3090 5130 94 3173 3378 2838 3508 6886 5331 2072 132 2448 2123 2821 6336 3161 3261 3287 137 4112 2713 4130 4654 3781 154 2937 2351 108 6222 3102 166 4328 132 2472 80 2937 2676 4073 209 2890 3142 3129 100 3082 3318 132 99 2385 4812 2421 2312 2829 2054 3392 2880 2941 3427 3204 3768 4306 3521 2106 2969 3181 3004 137 2794 3593 92 3647 3194 105 3865 113 4017 2895 2582 2231 4408 3875 2564 3132 4288 2799 methanolphosphate 67 80 109 88 104 78 98 125 128 88 109 73 98 128 96 82 94 73 81 84 86 64 72 400 92 123 85 67 73 77 89 90 107 121 55 89 71 99 159 84 86 108 76 86 86 539 73 68 81 58 104 92 78 228 62 81 113 439 126 89 120 94 76 115 97 92 74 88 92 74 84 326 97 80 88 88 79 71 95 85 110 523 70 100 100 98 127 59 82 74 116 87 83 127 70 110 114 56 106 98 98 65 68 97 81 74 55 77 108 132 110 73 95 118 74 82 144 94 72 82 77 78 61 70 91 49 80 90 84 93 123 104 69 71 87 111 76 78 65 72 61 83 607 91 96 95 136 88 108 101 86 67 59 77 191 80 106 790 73 81 66 310 183 90 65 104 104 85 148 66 80 90 84 171 571 55 133 106 74 63 111 421 67 71 85 102 78 92 125 70 148 85 97 84 142 135 113 58 110 77 55 107 81 151 68 98 76 127 98 59 131 96 79 81 124 76 135 97 118 109 93 86 69 99 436 94 82 68 82 75 91 63 82 70 74 82 110 88 73 67 521 61 101 138 520 80 66 475 88 66 88 123 78 116 69 89 152 105 82 82 80 61 124 159 752 63 110 112 88 114 536 400 140 72 585 113 78 70 88 86 88 124 71 86 71 91 62 98 147 89 136 523 60 58 149 395 100 103 53 malic acid 238 269 157 123 271 318 106 147 249 188 174 157 193 102 113 164 217 194 253 147 254 113 317 169 170 303 248 204 197 106 182 261 167 181 213 260 117 142 311 384 203 300 194 93 145 285 387 247 168 172 178 218 181 325 164 287 166 279 402 211 319 107 204 228 206 196 181 261 123 217 157 130 96 118 132 251 236 173 231 252 246 212 283 377 249 209 234 175 157 138 201 114 144 138 220 126 245 193 213 213 339 198 254 386 466 250 322 245 249 325 229 397 231 281 520 151 353 231 239 156 132 239 187 91 261 168 111 197 142 891 237 223 122 274 323 228 246 313 278 328 226 142 169 196 154 109 197 140 320 148 141 194 233 118 263 271 709 193 188 157 190 163 232 246 184 180 232 102 336 135 122 146 143 434 184 219 149 185 238 115 177 152 137 177 247 270 290 177 246 262 262 196 149 150 344 199 120 267 154 360 203 104 126 192 143 171 109 242 204 107 145 299 157 213 290 159 382 189 284 376 201 410 210 336 157 251 166 150 201 391 224 127 217 240 191 198 133 173 246 134 203 218 221 282 129 235 218 398 118 128 268 247 203 605 228 197 371 199 122 243 101 178 130 348 186 202 191 254 156 173 179 284 259 191 305 297 178 269 164 232 134 268 180 122 99 295 113 201 283 292 207 119 160 168 261 214 284 136 152 lyxose 379 388 331 526 354 279 526 141 101 133 190 306 113 149 137 529 358 179 214 289 232 77 281 250 364 229 102 248 261 84 462 269 1556 157 98 474 324 104 316 408 367 133 240 260 249 276 271 453 230 325 314 264 95 411 263 796 221 329 438 478 536 109 325 101 355 412 373 244 278 1002 91 79 118 351 87 476 135 334 202 156 340 263 343 335 268 235 332 252 437 102 341 218 100 108 281 430 145 530 101 247 259 351 90 280 290 105 335 337 127 136 128 390 1405 270 97 84 214 278 633 105 74 332 90 108 256 198 105 167 330 774 67 651 263 636 131 144 328 140 491 261 250 116 329 126 322 441 236 119 255 106 1838 253 918 201 125 244 302 337 306 336 97 270 362 297 219 138 283 107 291 299 90 295 122 604 761 304 247 96 252 271 261 232 256 329 307 1388 457 256 154 219 231 443 224 348 1866 126 98 646 131 422 1088 283 223 309 664 217 273 187 238 205 324 286 398 361 285 84 316 141 345 174 147 290 385 239 436 990 235 238 323 699 395 304 657 113 108 213 71 391 288 94 538 392 140 134 247 106 432 97 86 751 258 117 520 389 428 1283 229 82 199 885 130 993 83 1447 223 391 225 191 363 122 220 255 422 363 284 116 74 115 537 524 142 797 353 102 98 177 106 220 191 489 3322 2921 115 250 303 282 94 555 329 lysine 19217 24791 15596 25734 20540 23435 22919 28284 21275 13212 17219 16470 20003 16169 26789 22065 14148 16150 20467 16427 20530 25401 32040 25884 22018 8883 25677 16515 22017 22857 27530 31825 20451 10784 19709 17144 19615 13418 27654 24377 18977 19201 16001 16798 19576 18976 15068 17556 22238 23632 22191 23837 27735 12567 15784 27836 19292 13746 15862 21178 17105 17773 29250 15187 42738 16848 18249 21878 28279 16116 18811 19027 21511 23777 24703 29065 26688 14827 24368 26877 13065 18849 22711 27038 20059 12068 22479 17642 26605 20002 20505 28021 18385 20720 17951 17476 15855 11955 21473 20742 26373 26405 23108 13955 13362 21219 24495 40962 23536 22891 13324 17440 31065 16252 8468 16422 12716 21818 33199 23883 26441 23990 18146 17616 19384 18200 20424 14925 20014 12620 18059 15994 18242 34195 14687 18452 16207 17580 22088 17840 23846 17517 25495 20994 24381 19849 22815 25339 24337 18300 25970 27839 30638 20089 17339 8762 17008 19950 14445 28209 11586 22456 19302 12635 17177 16402 34060 20445 14581 22017 25832 31955 27897 21128 22390 21407 24543 16247 21604 15698 26496 19317 25652 20273 32994 31753 24422 28674 11626 15646 31879 21587 17665 32043 14764 22824 23074 29646 28913 48477 14873 22200 18824 11482 19708 17701 15067 20111 30055 21556 27675 24235 18506 24803 21589 14709 13037 21835 24528 14166 10572 21832 38469 40148 14174 21679 11139 18645 25953 42012 24783 28434 16821 15144 27973 19683 27874 21339 18713 17504 26337 13648 27568 32585 20218 33258 23873 26981 16293 21563 18905 20244 32118 11365 27340 25305 16035 13359 29531 20204 25694 24654 22961 18447 17006 17396 23066 15279 20933 13695 20245 22780 12628 19590 19932 14865 14836 21050 25797 17633 19174 18758 22909 21696 22665 23297 13393 19294 16220 29444 21408 19450 12709 31420 16670 22218 22626 27052 20923 linolenic acid 629 1684 188 507 322 854 143 232 247 187 247 719 227 167 280 313 448 1040 1407 717 343 158 540 125 219 566 312 872 323 190 667 808 174 783 321 2642 570 241 498 245 147 218 608 1237 592 759 1989 319 273 118 1404 293 176 889 822 530 408 170 663 1579 363 268 747 275 322 167 348 148 1148 143 1035 177 186 301 168 138 1834 424 788 183 369 155 139 388 543 1169 249 1094 136 165 131 2598 180 141 807 290 867 130 299 595 157 145 1214 258 140 225 145 201 1275 1209 1415 1696 210 1298 269 221 1162 1554 871 163 763 623 838 171 1124 838 273 469 470 146 456 150 253 154 154 626 119 209 196 174 155 158 1064 162 183 764 379 196 415 145 165 703 818 529 621 278 580 1379 669 112 325 131 2172 504 188 236 339 216 1146 149 1091 235 152 1288 451 1867 239 406 133 1392 297 143 130 397 262 155 181 745 390 141 1058 222 125 170 737 191 153 357 301 116 173 224 1121 430 1385 611 1189 242 167 1368 74 154 142 148 153 869 1784 164 280 277 193 375 1942 956 152 256 733 1161 179 612 699 611 362 163 190 124 236 142 151 212 1510 117 175 280 327 379 303 203 739 178 1559 209 985 362 713 416 557 187 114 961 166 193 534 781 186 294 498 1612 622 337 1461 638 737 1181 153 933 568 711 174 1499 199 1143 1828 160 176 1909 136 228 241 250 606 206 505 139 895 149 235 351 128 linoleic acid 427 851 655 429 119 415 444 669 101 1097 108 325 92 634 76 321 170 530 809 505 72 321 309 1479 81 305 151 445 220 72 448 617 793 628 155 1676 388 228 143 299 73 935 354 1230 337 659 1032 223 866 707 640 212 133 700 398 225 152 317 392 1095 177 417 518 1352 307 391 188 914 1259 668 650 395 680 78 282 76 1015 340 395 680 190 780 489 183 416 703 400 511 1258 72 60 1854 718 1082 686 270 608 172 655 104 1001 319 742 361 337 866 1291 57 1038 876 1267 843 561 660 715 646 1056 722 431 692 676 500 731 1393 578 431 119 280 173 434 211 291 400 385 254 597 187 956 288 513 694 184 490 1127 367 590 148 834 93 607 872 380 607 292 481 192 334 770 299 529 222 258 1500 252 272 648 633 263 596 341 698 114 472 773 240 1468 562 314 723 751 855 715 364 275 60 796 57 594 183 491 1088 1068 499 347 210 281 301 84 85 72 224 747 882 245 1118 631 513 134 272 857 150 60 222 202 243 869 767 1338 528 101 1394 194 1004 516 509 179 728 526 426 422 575 323 198 976 760 563 1153 1071 516 335 863 723 82 135 79 1442 250 714 419 152 1054 73 508 282 377 129 489 849 287 591 95 836 316 336 985 123 227 717 298 184 916 256 381 662 344 1146 409 405 686 764 378 534 1258 497 71 942 56 142 59 84 220 284 310 231 536 307 298 146 56 levoglucosan 206 914 907 453 481 354 817 119 158 102 329 511 467 919 975 524 757 248 300 191 395 103 326 108 83 173 599 241 89 951 594 283 401 105 2168 365 588 157 310 259 508 169 188 263 216 403 1052 89 272 376 310 118 73 296 867 380 401 96 408 346 819 109 190 103 117 270 299 109 482 191 102 91 3197 268 73 294 837 837 372 339 105 119 315 590 497 364 912 564 445 98 102 175 112 92 231 250 119 206 120 331 236 345 414 241 126 125 347 91 152 880 152 261 86 240 200 73 159 171 365 101 783 686 818 98 1045 482 421 715 521 982 62 86 124 93 173 150 74 125 187 109 181 103 772 111 101 704 115 116 269 174 158 533 369 264 1207 579 634 269 712 674 1191 152 1284 347 1317 116 270 99 253 95 111 867 948 484 206 347 161 1164 778 499 369 86 956 520 480 1283 661 263 555 313 713 1571 1974 3287 589 185 83 1129 116 237 352 124 176 333 693 294 363 118 630 424 915 94 90 678 508 101 1116 112 232 139 116 297 586 669 1125 138 300 337 207 1407 645 1217 457 164 86 1100 120 85 313 105 408 397 167 146 331 107 2548 967 1278 1018 243 151 390 159 344 349 122 654 390 263 113 721 404 480 226 1278 570 241 184 1001 113 436 345 567 243 148 82 377 829 258 190 418 172 1102 556 200 92 453 102 359 1078 137 578 413 117 261 109 419 191 leucine 34197 38926 28634 46066 52621 41982 30546 48996 74037 43189 30598 37237 52967 47236 54061 43196 20247 35304 48731 31693 48610 37443 79424 28000 36703 32019 50774 20787 53706 48778 25803 64156 27802 34925 29897 27390 32732 58188 53492 48181 26500 49984 16778 49836 34208 47321 44635 46384 36131 31494 53619 43383 39121 33130 25256 44752 24271 35265 31041 60985 64427 37706 56774 27704 69509 20875 30322 34642 52234 25001 42070 36868 33312 46050 32294 33642 38501 44666 28051 65279 34047 28533 35583 43288 45180 29000 42316 28738 28007 40171 27002 48492 26596 36830 46047 38194 35407 19083 56218 41831 46728 30192 47228 16591 16334 52082 29651 61811 53827 54732 28981 33802 63597 35590 34671 21551 62808 48688 79673 41449 61198 51258 24630 32245 32802 20901 38798 22843 21195 20269 39965 26240 26273 65197 26147 53356 26783 40768 31929 32378 27860 28005 35822 37449 28621 25895 50991 53526 52583 41940 43749 55849 44810 49390 49163 29071 52065 38488 31014 56065 29302 32738 71501 34625 36923 44962 56876 36136 47670 46131 54729 67174 43856 73590 32668 35823 37555 34494 21471 44327 21229 28862 34137 48971 64813 48624 43421 70552 35434 20101 103049 31663 22741 46140 34461 74037 34153 44483 60372 62755 32696 40973 41037 34170 50217 42987 36553 43489 39060 28484 36898 68858 40442 35222 48434 25956 31147 75730 34991 61178 26987 39966 79218 52703 26284 36789 27570 39170 28930 122760 31299 31780 46140 41232 48450 30027 64527 51929 29092 45776 43351 28815 34231 67041 23467 58298 55614 72663 27849 36202 39675 42779 55702 67180 35491 42473 56484 44193 31968 46446 81823 40881 27599 51142 34254 28086 53225 30536 48274 33215 35165 46867 50329 35211 30637 43689 21310 51493 29080 27267 40596 27838 33814 46685 32167 40876 16239 49567 31769 41791 22177 28129 22301 43139 44978 31044 35537 48770 20269 lauric acid 6630 10565 9906 8143 12004 13746 16030 6822 14421 14741 7779 8735 7323 10149 9485 15867 12244 2935 6076 5016 7809 11154 4499 14501 11659 4761 7944 6732 4148 12182 12456 15123 6917 10149 8010 15551 10513 15897 12203 16736 11546 15515 17012 10476 10137 9591 12473 10692 14171 14770 15102 13324 11788 10250 9005 8225 6284 11620 13193 14268 10734 8588 10292 13393 8731 13900 9477 13046 12690 17754 16286 13600 23969 19899 14904 19784 5866 6187 15045 11254 13696 15899 12774 18088 7786 14944 11005 4131 17019 8172 13954 6894 20183 17031 7734 3087 13487 12581 16308 12461 8128 8403 10905 14573 9622 15674 7180 7356 12763 12452 15183 12055 12979 19180 15445 10807 10830 9903 9149 18257 9439 8788 13023 14669 11977 7453 10107 12856 16884 15405 11774 15863 14575 15463 12439 15025 14427 14897 14717 10362 18295 13020 16883 13868 11063 15865 13700 14707 12326 8206 14484 7514 8046 12608 14818 16292 11676 15194 18278 15398 14574 13415 5763 5420 11557 10178 11034 12546 6827 8303 15212 9759 9300 18574 16263 13674 9970 15772 15505 15255 14631 13737 13522 4576 4516 20095 13043 15159 11980 14770 12740 18170 14433 13279 17212 8167 6993 17624 7893 16695 15428 9607 8518 3975 8495 5800 5427 12954 16189 7082 14461 21247 12742 13675 14042 17915 14787 9279 15638 4168 13687 7583 10775 11269 8179 7677 12794 12258 9628 17350 20465 6144 8937 19487 20740 14922 18694 16317 15619 14104 20370 20186 7304 13988 7828 8955 16220 17431 11462 9970 19454 7464 15119 6868 6218 4525 3654 9968 14614 16938 6278 9949 16816 16146 14632 4935 11749 18299 15877 13598 9593 18336 19635 10993 14684 6483 15375 5461 15186 4687 7133 12881 18918 7544 3500 4831 9228 8932 13290 19849 14426 16622 18807 14590 6338 15832 13241 11320 11470 lactobionic acid 387 420 314 343 208 412 309 261 411 236 179 278 181 219 757 200 166 175 112 143 146 242 265 237 205 299 203 222 262 127 198 366 370 276 231 406 458 251 197 206 185 265 189 342 199 380 217 188 186 314 194 256 649 369 202 167 162 391 458 185 215 317 312 214 156 208 307 237 88 259 193 154 220 180 175 249 170 127 161 226 232 229 297 269 318 238 197 147 185 151 235 170 184 169 306 145 274 317 173 146 214 215 214 131 249 251 264 210 239 330 75 487 219 278 242 163 438 269 444 203 167 334 162 196 356 255 250 197 292 233 268 226 286 255 182 1260 221 169 241 180 184 290 372 186 181 355 231 286 279 204 228 144 84 312 403 319 182 312 321 203 1153 194 332 221 180 252 170 179 441 101 352 245 200 644 377 302 239 202 227 236 237 327 146 119 204 221 280 494 209 197 381 273 165 507 294 267 138 152 199 319 172 261 266 271 123 427 226 204 181 196 171 283 276 241 326 318 373 113 324 362 220 393 317 239 391 57 351 477 44 335 241 171 281 249 179 186 218 212 273 292 394 198 146 679 220 337 232 313 202 185 255 205 320 325 235 232 385 166 186 321 102 189 221 487 245 222 158 252 217 319 213 366 519 267 137 194 192 234 256 218 200 252 383 149 208 239 130 233 230 135 622 400 158 209 205 375 116 275 178 lactic acid 190982 270674 55563 164579 203993 225590 113094 133852 175335 144775 273451 193684 613 132785 109969 148581 87822 87812 200103 123911 242569 348835 154669 96284 176399 207952 1787 136278 153599 101840 163268 176630 145768 131124 163840 1256 1281 101860 104862 190703 145015 146627 149316 181371 1589 221123 109277 2565 517 1242 2021 169935 7010 181951 150492 223685 3468 137281 108044 105414 154920 1528 125338 154486 117083 99918 27799 148047 176746 142890 87023 36969 143597 152471 90276 122002 218783 118688 131431 83806 128980 190199 146970 129298 124740 162091 83927 235096 80689 173451 141822 142775 564 85885 157427 165031 126526 59584 128883 135252 62737 53018 307806 104538 1132 3224 93419 107981 173507 166865 131506 2364 148303 164990 94115 113098 130105 149483 75956 158197 420986 130019 184672 166131 143903 142486 105923 17215 142347 122066 1611 76725 255607 91056 158780 3067 144338 120513 175019 115208 155 64593 191431 137691 194248 138159 156915 94413 161927 87105 102193 161407 121343 103953 12135 106154 78423 65435 142379 179319 136189 149812 1087 143930 117715 603 160529 187848 194561 164703 140642 80660 57820 136930 89690 162799 191869 81682 213879 112656 147326 3500 121899 111543 72402 146831 175479 kynurenine 237 251 182 226 289 376 248 345 254 228 222 192 257 180 226 241 184 301 224 226 783 204 289 212 273 2253 203 188 2596 122 1989 213 351 2813 2327 3957 111 347 412 299 240 228 178 152 178 196 213 240 230 305 218 308 3136 2376 196 6813 184 232 2809 236 339 220 295 34 285 167 157 284 248 191 2420 111 260 101 172 944 2454 206 223 165 194 211 239 2804 292 179 253 248 216 179 237 1775 216 256 234 302 2319 193 278 221 249 266 2621 212 165 177 195 222 4243 3712 4956 212 178 279 196 219 2529 244 4686 249 2694 300 2106 205 250 188 2553 204 1999 310 2100 149 195 224 195 3666 336 191 173 219 169 272 261 211 156 235 215 200 268 228 277 832 2419 215 3462 231 150 256 355 202 13893 217 3027 3784 116 253 252 156 2603 261 1984 209 196 5177 181 226 216 2132 169 258 199 266 222 1003 2831 286 164 350 4100 209 220 179 212 223 1864 315 169 179 284 189 224 201 165 1812 272 165 214 153 250 1643 1939 102 266 256 2610 3466 2340 110 166 3606 175 272 204 2723 182 228 205 328 215 304 202 178 234 225 342 182 256 250 219 337 327 136 306 2683 181 371 204 206 2480 232 2790 261 299 1927 3168 3589 2998 181 150 271 297 205 2090 3843 212 2044 237 299 193 2348 200 189 2280 223 224 2174 1686 2808 348 227 202 219 210 232 2676 181 226 180 240 269 159 314 2219 250 2094 196 306 246 262 isothreitol 265 383 228 267 388 324 430 317 439 466 284 368 504 210 313 938 336 335 254 249 377 341 1053 341 433 176 423 111 436 237 355 357 766 194 120 334 550 697 414 417 378 403 152 206 271 252 292 1884 206 273 339 322 469 327 345 1276 220 304 456 271 331 214 299 302 370 324 241 304 319 367 80 334 324 387 183 420 253 440 277 448 374 224 239 518 353 336 322 319 288 309 218 200 428 328 211 431 786 298 260 302 391 375 150 235 297 481 422 256 157 146 506 357 290 360 534 248 184 233 607 312 107 457 102 142 330 197 170 230 231 1111 124 262 279 230 282 168 399 385 346 437 218 332 383 293 240 422 288 257 285 337 1347 235 529 311 356 368 391 291 229 215 1472 286 234 469 222 396 254 180 354 584 122 535 285 923 389 263 449 131 235 553 292 142 236 337 326 1162 382 266 563 172 325 452 307 480 616 323 201 404 228 490 938 503 282 363 434 312 228 303 215 338 241 370 366 527 490 312 448 318 298 267 262 327 483 288 394 710 202 277 489 1898 203 316 271 188 762 206 268 662 244 442 249 406 190 249 219 275 340 279 160 625 261 980 212 213 415 550 177 337 172 956 285 517 86 555 268 184 425 262 300 227 188 284 313 176 326 159 95 128 430 503 574 386 312 165 349 377 177 293 294 397 777 2854 226 207 176 166 291 427 277 isoleucine 16469 21593 14595 20375 23757 18161 19102 25266 42662 28507 13348 23513 28484 22459 25314 26538 13653 19168 28418 20961 23444 20097 50810 16141 18443 2916 27808 13260 31512 24600 19503 41214 18388 915 18690 18526 15861 29025 22129 34880 16003 24889 12251 25124 14494 21503 26072 23965 17143 17510 29468 22298 19454 960 15348 24649 10080 23178 3769 31575 32707 14663 28109 12916 38945 11934 13352 22868 30023 15019 23296 19543 16138 24902 15071 14959 16250 20668 15876 35607 18772 17976 18591 20658 23105 17188 25712 20633 12913 18938 13171 21030 16141 15423 22643 18052 2816 12917 27692 21933 20589 16240 19514 11157 5974 21767 17479 39674 39792 29568 2274 12251 28980 18658 16589 918 27369 20814 38956 21702 31849 28917 717 16276 15486 11553 19617 13188 1468 15982 20283 14330 13712 38246 14261 21947 2694 16892 18188 20340 17857 776 21945 20437 17925 16382 25159 26945 31095 18308 26496 25972 24960 22115 29716 15062 24636 20519 15083 38762 24256 17911 31557 14229 19853 22193 31904 17059 742 21386 30395 34217 22702 43320 16721 19499 18930 17798 10927 20749 22407 16135 15825 24107 40785 24042 31749 34064 16224 8937 77334 17329 17527 28029 3295 36488 16797 20544 35723 35303 15665 20183 20918 16662 26214 18354 20778 20093 21400 13862 17299 37451 20614 17119 31114 15380 20729 38604 27289 30696 988 24399 47523 28406 19600 19045 13574 16916 16242 80036 19267 15737 23695 14547 23090 19246 27226 21452 15568 25921 27069 20880 35650 36592 19235 25808 31903 40249 14849 23392 17619 22246 34585 36726 18327 24029 28071 29315 17741 29206 41313 23459 13833 34027 17530 16432 29592 14546 32120 1398 16533 27679 21986 19636 14279 25823 13493 23486 13810 18440 15442 17060 17512 19594 16502 26207 769 24073 16795 20695 11283 13408 11309 21637 21759 19947 15662 23796 11875 isodeoxytetronic acid 1124 1206 656 1510 685 1561 938 1026 1289 1275 779 837 1147 753 1020 1241 500 976 1907 2164 749 826 1706 1002 1442 2141 1088 596 882 690 958 1120 1896 1219 899 937 804 1544 1218 1061 881 2697 768 1596 670 852 2854 1748 529 719 942 1560 1081 1430 901 3610 617 1089 1626 943 4468 821 904 1282 1411 923 512 1690 719 1019 1067 914 666 977 543 1015 720 750 719 680 1135 670 894 542 1442 964 698 709 1169 755 713 1000 802 797 1414 1013 926 686 1045 845 1114 1785 1577 1745 375 1611 1123 1317 1191 1675 2489 1082 1063 566 2263 848 985 972 1387 593 1259 994 903 1014 1302 507 788 901 341 1986 672 630 823 1162 759 873 1804 811 602 849 554 655 1724 856 998 972 1217 719 661 959 1738 1453 1208 1292 1416 1061 1365 836 763 816 2511 630 2348 1095 592 841 890 791 1024 878 684 946 637 1894 591 757 1149 1207 500 2518 939 770 1044 890 749 1391 953 850 1297 732 3154 787 929 743 1112 1406 993 989 716 1564 673 1343 2117 893 1532 1192 1753 1321 917 711 1070 1590 976 1117 592 1434 983 1385 1450 1023 941 781 1143 1169 1170 1008 741 747 920 3697 690 1609 936 1847 1963 911 2066 790 664 2450 1861 1024 896 1285 913 2029 1120 1041 932 773 1915 1071 1372 863 1074 1113 1674 738 661 1147 1253 1075 1121 1678 641 515 908 707 1226 728 1000 713 800 784 990 1235 437 1125 1100 1972 796 997 905 1164 674 1880 899 781 1346 516 674 2963 808 590 1001 970 1267 1083 730 isocitric acid 220 273 116 219 222 226 106 120 117 124 142 169 119 65 88 133 181 206 245 219 186 90 290 138 139 157 117 177 127 76 74 235 140 148 65 276 163 124 268 71 201 85 195 233 151 199 402 179 86 122 296 89 106 181 156 236 136 75 189 261 366 107 223 116 125 99 198 88 212 70 91 96 95 110 79 88 94 200 189 293 103 86 104 244 186 276 103 276 110 94 101 99 117 109 205 165 181 116 155 80 125 93 120 79 197 132 126 101 169 138 206 201 80 184 211 92 148 228 84 91 102 258 177 63 229 219 100 175 116 223 125 74 94 109 101 126 90 119 106 113 135 139 327 95 86 214 149 90 222 143 105 171 92 224 140 240 212 231 277 84 94 95 156 80 90 113 123 114 216 124 100 154 114 140 227 221 110 83 149 244 102 161 166 172 82 172 95 266 137 109 255 136 112 121 150 112 65 140 137 84 178 124 199 147 182 204 198 102 178 67 123 74 117 128 171 108 130 84 77 143 170 397 258 77 89 97 151 226 80 507 263 263 229 99 85 114 113 108 128 93 349 95 121 114 195 106 243 127 92 133 130 128 300 140 84 86 159 118 105 287 128 108 101 229 106 78 233 172 191 143 180 231 147 225 103 188 126 127 143 255 106 218 210 108 136 259 89 192 154 101 165 314 92 201 152 112 116 287 125 isobutene glycol NIST 173 210 183 201 91 144 249 200 126 277 157 267 409 249 308 388 334 503 170 391 278 164 593 205 296 163 130 318 378 305 229 15 215 320 176 279 285 277 282 378 372 207 190 332 271 418 682 251 119 373 297 582 179 178 171 589 216 314 190 397 326 196 135 114 148 165 325 149 342 515 277 374 159 258 283 326 308 210 182 257 171 324 534 120 182 387 522 227 299 267 324 354 133 232 198 345 259 325 225 287 241 237 175 340 147 346 162 192 65 202 231 177 134 151 202 220 209 202 286 224 138 396 105 185 297 232 279 126 310 201 147 74 253 410 146 420 235 480 358 401 371 382 271 320 270 27 77 223 639 382 221 205 466 213 71 144 363 428 426 444 152 244 212 223 298 346 221 158 181 322 436 319 403 158 292 311 494 152 251 143 130 463 173 248 361 357 387 253 277 213 192 100 194 243 247 173 283 196 478 21 141 130 71 522 198 201 159 162 246 264 214 179 193 291 164 238 335 330 213 259 180 179 213 199 307 245 792 289 149 357 275 221 146 230 383 312 591 204 186 201 419 147 115 597 238 192 316 246 337 118 186 179 283 141 72 441 196 323 288 176 337 354 47 263 547 279 224 375 172 inositol myo- 6233 9292 3219 6910 5576 9060 7027 9231 7846 8559 4206 4899 8626 3935 5292 10256 4749 5507 6658 4410 5662 8198 17261 6594 5961 136 5662 6165 7009 5054 5501 5946 14625 8090 6438 11519 5784 13720 8231 7854 6466 6689 7061 5849 5651 4795 9606 11472 5484 6745 10847 10495 7138 6522 5265 19640 3325 9449 7262 8454 19045 3908 7771 3686 5865 6076 4108 6111 5539 7051 6423 7286 5535 9000 2825 9719 6888 6161 5413 9596 3538 3929 4292 7534 7183 6248 9867 6765 8150 6174 5568 5440 7062 7814 7360 8629 6400 5785 8339 5972 6976 7410 7370 9161 2875 10415 5744 8623 11583 8466 14150 6199 7162 6435 11650 5050 7255 6529 12869 5550 6549 8403 5840 6013 9321 6612 6587 4304 5217 14484 5515 3988 5571 5710 5971 10670 11186 7853 5237 7584 3751 6425 9637 8501 6529 5462 5447 6804 3562 6383 6757 7274 7536 6424 9394 5253 7494 6665 7086 6599 38607 3566 9337 10663 4624 4421 6008 4491 6487 10941 4696 7423 5925 14003 6606 8313 6696 5224 4815 9353 7411 6294 5747 6631 7644 11067 6004 5835 11431 4332 6430 8435 5950 6875 6221 11771 3697 11637 4469 8094 7310 11378 6605 158 14347 6525 5745 4740 5834 4692 102 7983 6473 5118 7063 10231 4874 7406 82 10202 8832 6090 10989 7887 9005 7791 4446 6770 7047 23544 3606 9552 6611 4208 9103 5007 5880 6735 4569 13168 13449 6659 7310 6890 6093 8252 6682 4571 7020 6241 8222 8351 9495 5103 7855 10421 9364 4996 4373 8482 5729 6371 93 9981 5731 5718 10124 6237 7610 5899 4763 5021 5609 4298 6080 5669 3680 8005 8467 10460 8370 11206 8250 6751 7104 8711 5651 5623 7337 9598 6511 63704 5398 6651 5093 6305 5926 10080 6342 inositol allo- 158 118 161 2843 354 152 248 212 180 198 172 168 152 373 1301 2516 192 187 129 120 98 1857 3752 296 468 118 201 117 178 61 456 218 1385 169 92 4678 103 249 112 111 111 116 270 171 119 105 142 235 105 673 923 853 124 216 163 958 96 93 213 426 1914 133 172 136 128 875 266 132 132 193 191 75 94 109 105 248 141 122 132 540 153 621 107 93 234 199 458 81 178 71 154 124 78 78 153 121 141 157 1512 92 225 607 86 134 159 694 79 1006 1240 440 4096 107 151 170 113 81 469 127 1224 120 191 156 352 64 2499 106 112 123 115 143 100 129 192 85 68 821 122 175 207 157 140 113 143 366 946 730 1747 120 133 131 583 257 143 104 236 172 100 503 144 142 4504 294 197 109 341 142 128 109 188 2244 421 107 143 1566 174 1321 168 88 188 869 1158 1301 162 139 131 1780 121 119 2121 198 115 1032 284 174 181 115 78 1773 264 609 664 3509 578 154 2244 145 150 298 102 130 100 99 1063 125 211 580 284 115 472 312 2290 132 118 117 862 112 221 665 175 3727 217 139 172 72 95 114 156 87 224 2359 2425 409 118 396 164 129 695 180 1684 89 215 186 2445 135 115 1159 232 151 223 98 731 680 110 365 1717 1032 1634 201 1908 1111 106 91 237 243 181 210 844 194 218 2055 2658 1140 109 66 116 414 106 109 151 120 1841 9951 243 101 245 661 110 447 91 inosine 205 991 647 693 755 554 1967 1045 1478 159 300 1997 2169 144 151 528 586 260 2136 457 911 129 1137 535 1176 151 609 2145 136 116 121 555 418 174 174 149 253 664 439 175 316 1561 817 218 991 378 1520 340 392 260 230 452 128 192 421 126 343 1392 241 450 633 329 175 772 262 464 169 355 862 776 212 102 101 160 117 1182 114 1096 261 178 1447 228 233 177 1443 434 1015 1094 1793 108 803 99 139 182 877 235 175 804 203 1313 148 343 163 2249 288 175 2034 392 249 240 229 1374 222 162 1081 976 976 679 149 1200 178 689 203 120 380 476 165 545 155 147 159 251 861 1978 187 204 935 1538 606 680 1347 136 712 501 172 312 915 163 370 197 707 635 97 247 171 922 290 659 512 745 148 388 196 137 1688 292 1039 972 208 186 224 764 115 388 873 1064 2082 211 379 921 691 412 349 567 93 225 1480 418 131 1427 331 345 1323 219 194 531 97 1726 1433 211 1594 1283 624 185 1794 224 172 313 336 346 125 185 1433 1833 184 160 359 180 282 245 229 1527 701 131 310 1531 632 241 298 261 1623 741 1411 116 162 456 286 185 1642 1397 623 496 146 226 580 423 224 2255 141 761 149 978 2406 156 135 94 194 935 1477 196 419 615 165 289 906 145 932 229 1113 226 449 126 188 2159 949 145 116 1251 1319 1110 1332 214 630 243 122 373 115 1158 707 695 1513 326 155 1245 204 761 117 1649 110 indole-3-lactate 349 706 204 575 638 703 432 437 2129 536 688 503 385 590 373 669 371 682 873 428 729 287 1031 542 555 808 438 290 564 342 545 346 741 899 463 353 617 507 602 650 487 612 487 352 431 470 1795 786 415 484 474 781 604 718 439 795 229 400 456 440 854 492 841 170 587 328 306 578 579 549 478 460 516 806 314 267 371 1073 233 468 637 525 845 1028 661 400 479 550 645 524 407 372 445 1006 616 835 459 357 508 438 653 439 483 671 297 1114 483 460 510 518 540 1027 664 393 745 423 613 501 660 289 690 623 752 597 604 317 448 467 787 2820 447 307 298 395 267 566 774 459 278 1100 252 428 611 332 398 393 541 355 389 230 463 472 444 491 587 458 379 621 589 225 537 361 567 719 351 510 650 353 466 547 411 597 574 1107 243 412 511 1256 344 947 434 480 348 487 488 625 454 554 352 487 888 442 759 549 679 615 469 592 488 403 352 414 595 588 956 668 602 317 510 396 528 710 509 449 624 631 371 664 593 317 356 348 667 509 474 565 184 480 350 904 443 680 294 413 533 360 673 448 270 1150 509 410 583 658 254 961 798 375 366 299 382 475 470 484 543 518 805 595 219 378 725 457 355 804 333 377 480 849 1033 553 282 517 248 419 980 585 201 640 581 407 200 635 579 454 323 775 268 538 356 522 351 1412 505 449 578 376 446 561 383 indole-3-acetate 1149 585 565 1944 709 8672 766 205 6436 1106 594 397 137 155 621 767 412 440 704 537 1120 347 775 2423 995 763 630 972 829 2901 1112 683 1791 918 1140 91 537 940 623 777 577 727 381 286 456 627 395 1065 359 1372 898 1133 734 298 571 129 567 628 259 723 964 149 604 1158 1089 538 397 760 394 355 625 889 678 113 759 528 80 2588 462 466 163 439 472 970 598 408 1709 821 734 726 439 532 731 1008 1241 1230 402 465 817 687 640 807 363 115 375 132 1050 389 776 1029 494 2746 212 443 690 282 356 462 603 480 1273 615 643 273 516 1552 769 1407 1374 584 1308 420 977 468 639 498 784 82 397 336 451 945 843 693 236 697 292 402 484 1015 671 512 1326 1137 614 1478 520 1909 1241 866 2866 547 832 1128 377 549 758 109 126 639 591 88 534 4093 1219 419 1055 1531 227 595 110 323 620 529 535 895 969 668 1462 330 732 1599 584 452 292 461 545 1086 199 785 701 795 902 146 806 499 568 488 1450 88 502 764 553 709 1143 634 327 453 115 694 319 2377 661 720 821 404 1141 1094 957 1485 1409 1134 653 255 718 265 596 234 518 162 712 456 2523 862 600 557 358 504 526 601 70 159 649 1161 926 532 925 2158 496 326 358 603 506 781 468 1406 838 1007 1054 532 248 722 1002 431 1835 1188 425 791 946 631 706 1345 1758 700 2354 454 379 554 238 1625 1065 1515 676 1106 639 568 2175 511 572 hydroxylamine 6535 7028 6203 6937 7771 5708 6398 8265 7268 6211 2825 5453 8933 6281 6643 5181 5071 1379 2345 1109 2750 7809 3773 6233 6617 5751 7013 6941 2722 7986 5238 7198 5844 6211 6040 5019 6606 9174 8195 3457 6525 8023 5678 4319 4090 5538 5472 602 8540 6078 3490 4800 6075 5505 5648 3166 6078 7706 7463 7774 5971 7722 6134 6598 4415 6462 7188 7703 6734 6166 5768 7329 7044 4907 8019 3372 5137 1028 6437 6932 5457 7688 6341 4690 6649 8692 8260 2239 5402 7301 6600 2265 7025 4596 5758 2942 6909 6115 7522 7642 6248 6159 5977 1846 6715 6629 5520 6799 4831 5344 5711 6719 5735 7275 6234 7046 6308 6835 5248 7538 5966 8132 5178 6714 5581 5859 5620 5285 4716 6699 5523 7782 5800 5820 7144 6276 6508 6485 6147 6404 6203 7372 6707 6002 6500 7518 5746 6988 8223 7880 5857 2196 2264 6034 6575 7243 6445 6583 6556 4904 6310 5950 3656 3654 6450 9636 7532 6803 7822 6831 5538 6288 7708 7610 6890 6394 8507 5992 6436 7256 5065 6388 6057 1977 5546 5740 6716 8356 6467 6657 7880 6132 5667 6256 7964 6620 7059 7498 9673 4937 6950 8874 5325 8092 1562 7569 5633 3875 6360 2998 5060 6917 6369 6243 7224 5746 7695 6489 3377 7082 8232 8149 6642 4999 5816 6120 6328 5410 5119 4691 5055 6801 8105 7630 6865 6538 8219 6983 5547 8706 5612 7676 9077 6921 6717 8508 5370 8794 6013 6291 5106 7908 7434 1459 3802 3868 3865 6591 5988 7538 6943 6330 6435 7891 5942 1835 6932 6276 6956 7144 7305 6624 7803 3150 5862 6575 6091 6140 5987 6807 7144 7066 6320 7291 6288 5499 7241 5819 4379 7939 7505 6125 5652 5347 4835 5748 8013 8902 5745 hydroquinone 272 312 99 217 177 387 518 145 395 610 181 174 151 114 67 197 111 120 102 112 72 99 168 133 150 109 100 101 86 76 240 334 228 152 59 260 243 73 386 120 427 561 135 204 212 186 151 86 174 63 110 218 100 244 235 161 146 308 353 122 476 97 364 100 262 456 217 103 130 67 476 79 78 178 74 196 133 138 114 78 232 146 94 231 212 152 143 125 78 93 188 118 117 237 147 110 99 119 142 94 90 93 180 88 119 97 64 221 580 653 316 176 74 118 103 86 148 436 308 68 146 374 96 111 301 119 243 277 957 215 313 215 783 490 56 1086 556 90 71 196 77 90 721 90 159 290 116 475 182 120 83 142 105 204 11862 204 263 123 272 168 80 158 152 202 133 154 163 85 249 156 79 93 103 250 229 125 133 80 95 233 115 103 59 134 120 961 447 177 153 112 124 96 95 103 333 110 99 140 114 415 273 150 196 123 147 171 141 132 79 131 250 386 121 89 590 511 242 79 118 148 134 465 388 112 230 161 222 161 179 708 859 160 163 95 314 285 543 310 518 127 537 123 155 880 190 129 194 118 68 121 189 95 161 8816 161 213 96 136 60 180 99 131 110 293 74 106 86 120 236 102 153 215 287 122 106 119 186 81 74 136 92 175 293 98 82 188 117 174 145 169 367 144 589 48 151 78 101 182 62 hydrocinnamic acid 242 422 192 492 274 233 233 241 446 395 348 259 626 273 388 408 278 357 375 231 228 290 351 271 366 290 428 436 318 263 428 406 371 568 849 168 154 340 256 307 296 345 198 398 313 215 237 487 402 270 199 378 539 363 198 324 291 617 731 219 285 332 150 295 360 304 525 290 292 181 232 504 533 435 210 203 280 638 241 301 582 219 189 562 340 549 266 243 207 594 251 200 244 191 545 431 236 214 508 335 325 195 288 373 155 282 251 383 302 453 402 273 286 436 354 233 287 156 551 212 304 582 201 296 261 362 322 309 225 193 324 222 464 466 186 351 617 261 289 255 287 760 161 516 274 470 346 369 189 335 319 430 246 232 418 251 211 234 278 390 157 260 310 388 291 411 529 387 513 506 342 368 278 437 228 582 323 268 151 182 347 203 435 142 363 250 264 179 563 238 153 217 205 190 302 182 375 482 270 422 451 480 208 357 239 473 242 438 165 286 389 547 164 574 1389 301 344 209 551 245 266 623 349 280 394 394 175 323 136 294 292 446 293 518 409 171 264 797 388 869 299 180 284 353 627 477 223 227 316 272 362 404 269 301 195 160 251 262 276 232 317 270 389 569 493 465 274 202 178 419 166 250 388 233 426 242 405 261 377 211 274 245 238 235 370 243 218 313 553 264 266 347 437 253 292 190 374 480 491 hippuric acid 1817 6154 331 3286 1946 1262 1222 1070 1477 2218 2081 930 3248 1413 1139 1076 1036 6563 4300 925 1704 1190 1753 815 700 643 1000 1089 2581 1019 930 1367 2596 2013 5592 578 1724 575 1850 383 2039 780 678 2393 2595 498 1456 1586 953 1979 975 773 5086 855 1361 655 801 6892 2050 636 1222 1731 564 677 3415 869 1598 725 7006 841 774 5108 2464 594 652 939 1605 7374 1075 1262 1222 610 518 2657 1526 5462 1374 5194 2903 1584 2212 545 511 1524 4409 18183 852 526 2012 1034 1421 704 4803 442 1462 1688 1769 3999 2393 4097 3220 1771 1894 5783 1029 580 1222 777 1984 718 6771 5251 678 519 1096 1710 1849 2486 2500 2441 796 321 2003 1796 483 2400 5786 1493 928 757 604 2387 891 6173 793 685 1090 931 2337 1887 3709 1893 695 857 3310 1162 2187 2632 3905 2364 766 795 543 5411 565 1226 2816 911 1541 2354 1209 1061 1703 581 661 2676 1003 952 683 1592 1249 802 1422 891 4050 8836 875 6785 2694 1490 479 1359 367 1634 642 525 820 4602 523 2295 1780 2540 947 833 1115 1767 691 953 751 892 940 7285 467 3570 8172 5151 2203 741 456 1177 432 11317 1602 745 4815 946 581 3290 547 459 1393 546 2320 3111 1318 682 1436 4362 1603 1811 1169 1327 654 990 1355 1568 1571 975 2819 2177 1599 1644 1137 1209 402 645 616 910 782 3674 1376 694 868 2047 5870 2131 10637 879 288 914 668 4290 608 637 1756 779 2421 2065 978 552 743 3704 1049 1951 1840 567 1280 954 2199 1541 587 3397 1336 2646 2937 1437 1230 2953 2393 glycolic acid 1173 1583 930 1542 997 1563 1566 1014 2101 1573 1037 1228 1614 1185 1280 637 1000 697 1237 1103 931 1067 1471 722 956 828 1554 1030 1157 1188 1701 2081 1160 1590 1038 1321 1572 2785 2125 119 1619 141 1267 1052 725 1290 833 1378 1213 1685 834 551 1096 1045 1360 962 1606 1816 1721 828 1315 1696 1407 1751 959 1460 1442 1810 2198 677 1965 1921 2001 733 1038 1006 1124 1057 1185 1437 614 732 1606 1423 1680 859 151 853 513 1099 896 910 1992 2110 1509 1062 1132 630 1006 1615 1534 979 1318 99 1458 1863 1146 1390 1465 1291 1552 1328 1217 1452 1815 1053 1465 1263 1312 1655 1401 1911 1494 1265 1452 1226 1111 1665 1706 1410 1233 1700 1490 1531 1801 1743 1469 1266 684 1355 889 1938 2318 1247 1648 1927 741 1878 881 1001 888 1157 870 1068 1516 1510 1264 1598 1330 1282 1080 797 944 1277 1280 1527 741 1262 1348 1344 1045 1092 1164 1214 1514 1856 1651 1378 948 1490 192 831 644 1216 950 1663 1915 1663 1452 791 2441 881 775 912 1926 827 992 845 1469 1155 1397 1522 1528 1251 1212 1132 1108 638 918 813 1248 2626 804 981 2024 1746 1356 1161 125 1510 1651 1567 1007 1023 878 1264 1397 1332 1900 2104 1361 1063 1970 2385 1571 2391 2143 1274 2481 1702 833 1295 1795 1309 1213 1462 1479 1172 1676 1335 874 1052 1212 830 649 932 1109 844 1809 1092 1410 1236 2198 902 763 967 970 1777 1234 1190 1460 1825 1365 1214 812 1194 989 887 1402 1350 919 1528 1139 962 1398 776 1336 140 1987 130 826 2121 720 907 829 1007 1085 949 glycocyamine 244 307 208 321 223 163 165 303 344 234 207 172 320 174 241 245 192 166 322 168 189 269 209 240 202 319 286 215 195 236 280 412 307 300 316 312 281 266 239 240 291 266 201 162 228 173 175 363 337 259 237 193 186 280 160 212 229 192 311 298 267 192 262 274 206 180 221 273 211 269 150 247 267 588 222 191 292 205 182 210 216 241 196 250 273 274 483 166 265 192 181 174 251 283 246 256 206 149 417 360 270 174 178 167 173 440 285 296 425 445 288 407 297 204 171 212 267 177 501 335 200 172 239 187 370 258 263 235 233 279 253 165 205 257 244 288 263 194 194 184 166 302 196 270 196 211 298 354 189 223 229 194 135 228 346 281 257 156 171 308 337 276 393 280 195 346 377 184 231 334 156 256 242 265 221 196 285 210 171 239 336 162 345 191 235 227 428 258 276 212 256 255 264 189 323 264 215 319 291 256 150 303 255 375 237 242 174 258 265 191 323 242 207 196 279 253 212 229 346 250 256 268 301 318 327 310 161 202 217 243 220 240 249 552 325 181 277 279 253 414 228 240 237 300 191 273 275 267 208 226 205 191 205 256 274 173 330 267 174 261 298 268 212 328 232 130 239 229 204 330 166 192 302 166 208 212 158 167 251 197 235 242 203 305 244 134 160 156 250 357 164 300 179 264 323 228 217 254 141 glycine 76555 70558 56936 79163 68473 67269 68356 90302 77957 128717 64216 64028 84498 40398 58251 59446 85990 57034 49497 71232 68665 67257 111300 49825 63770 68987 71997 88128 53242 57988 96339 137018 70602 78741 101947 100590 118394 83637 82239 79597 58800 72618 82431 48955 73879 85369 59056 67138 59230 57757 47563 69089 89715 110018 56189 58578 87536 53406 123351 75217 75259 100400 125604 93416 72428 49313 90392 95078 68284 39393 51493 58555 161309 65196 43805 64734 81493 84916 176512 45356 49954 49151 58669 92454 91526 79664 61040 47046 53597 56338 83609 55853 111302 50019 89821 68064 71319 33830 71875 46618 99855 62116 81353 56709 42759 108693 92889 68494 104742 85845 90394 99845 47841 145823 83060 64460 69176 56337 88118 91815 88053 74821 70808 50619 79056 88408 91206 39206 80654 75285 89258 53010 67585 84788 73024 67029 72183 65913 39451 38416 44654 96105 95939 102263 50200 85636 80906 100469 75987 125493 58199 87878 61176 79277 75622 68857 91973 67552 59928 118638 67930 70177 89580 90896 52119 66238 82813 63674 84144 75273 35726 66923 67280 64220 92015 131260 106845 74036 46096 68591 56166 52100 73268 79319 96418 74564 126029 139577 92873 52628 77996 82895 59738 63577 82758 66030 70686 62625 82984 104331 57296 77303 71708 84056 80337 78093 81020 74256 82778 54145 89924 58337 59984 82814 126762 98930 92187 61039 60817 78040 122240 74990 105690 75791 69281 68734 56459 51985 132440 68557 107944 77572 59746 90794 71999 58404 88269 60672 83771 72202 63147 46107 78056 113355 97357 92123 67529 121160 78690 92376 58010 55100 45249 49660 56517 75394 55983 52293 45760 98040 68281 69692 63012 103359 40737 50747 59830 44076 61824 104377 58838 119992 77441 48120 62568 80097 63766 60650 68883 60118 77364 83586 61973 91385 111934 69537 48166 60628 84023 65384 51956 61767 82563 66800 65367 40571 72087 76458 61907 glycerol-alpha-phosphate 270 414 242 470 312 397 283 109 366 457 239 275 211 210 85 258 308 348 329 249 257 103 258 200 269 131 70 309 227 319 305 457 278 213 205 76 554 110 379 386 267 255 360 228 336 175 362 87 394 685 281 264 195 181 415 88 238 208 267 302 462 120 453 82 290 198 223 104 376 344 80 55 273 275 243 379 238 236 232 75 339 100 234 604 197 336 351 329 408 286 328 391 410 98 177 308 145 237 319 244 487 266 82 445 77 74 456 297 134 490 141 230 195 302 459 323 123 270 468 517 57 267 334 303 356 426 72 267 95 223 73 105 295 365 1598 146 251 220 262 298 282 282 287 325 289 316 241 450 392 146 365 435 290 240 173 213 431 429 384 78 100 99 188 99 192 95 540 199 169 242 233 355 377 147 386 271 90 385 268 304 284 222 387 421 316 370 290 403 107 223 499 236 384 459 127 443 93 432 107 477 346 117 281 134 437 323 260 197 377 264 74 326 198 321 351 72 376 313 370 193 409 379 430 471 348 388 237 350 468 460 368 354 318 287 92 183 536 321 317 244 292 115 325 225 240 116 282 363 293 199 119 132 311 159 170 256 120 120 359 349 426 263 281 194 165 205 305 325 292 129 290 521 183 242 422 81 229 70 312 407 289 377 269 445 215 350 168 286 297 459 196 236 85 312 221 282 267 217 360 glycerol-3-galactoside 387 291 348 529 807 183 451 150 232 140 155 423 187 134 134 149 274 422 212 180 354 105 1016 496 146 178 130 164 139 107 124 379 571 205 104 123 270 181 245 144 220 177 343 280 224 279 375 163 200 437 665 165 179 274 294 146 151 323 283 834 339 172 497 123 154 276 232 258 439 149 1326 155 145 135 146 162 131 213 232 160 150 363 200 150 290 309 189 218 297 100 109 117 120 158 297 298 283 295 127 119 297 266 145 152 204 196 509 196 915 463 356 304 191 346 144 114 1145 191 124 110 656 373 2763 148 163 193 257 222 111 265 99 271 190 825 137 287 177 157 298 161 289 122 215 148 117 245 120 144 173 153 448 237 145 272 759 273 158 292 286 117 954 327 315 145 145 153 156 114 221 148 2066 143 154 256 291 445 189 118 214 255 150 519 215 250 125 457 143 199 190 261 244 198 427 308 173 179 132 155 150 81 334 173 389 238 437 210 201 200 276 124 119 154 203 316 187 164 156 210 179 478 156 418 320 174 402 170 588 1006 103 1426 210 284 275 126 134 341 175 153 387 170 477 317 178 522 237 190 476 168 128 125 86 174 463 183 152 118 232 122 326 330 206 135 83 289 320 74 382 193 273 186 121 264 220 287 327 314 153 223 461 460 176 703 412 116 602 169 109 178 113 190 307 1400 1575 265 695 1700 151 360 229 glycerol 10550 15345 11199 14857 5305 6688 8620 13272 13712 24713 4320 10545 7256 10368 4249 8719 3511 11690 14368 11253 5604 8825 12090 16063 8705 16332 11596 12760 9199 7379 17568 11203 15233 12256 8305 30760 23744 13803 12981 9415 5933 23231 4479 14822 7152 9828 19564 9675 8703 4490 6425 3080 5887 14316 8945 9426 5955 25456 15406 8106 12973 19057 10605 22742 11805 5114 10316 17165 8900 13025 11977 10830 19006 6767 14231 15199 11846 8768 7956 16678 10479 7624 6721 7671 8049 11287 5084 15573 7840 11497 5048 26808 16513 17210 11117 7599 16581 5487 11580 8151 9752 14446 23683 5793 10645 14209 13153 7479 18836 16527 22709 13302 11630 23833 23589 14425 22695 11655 11610 13559 16434 11236 15784 15702 10837 11235 9674 8222 7864 22971 9150 9831 9838 7569 15309 14156 11602 11682 7535 24339 15504 8453 18083 16081 18058 13466 4132 11909 6139 13255 20918 7565 12709 8168 15016 8374 14853 7410 10387 8892 6276 5658 35731 10688 7432 15666 8631 8611 11401 8617 13608 6344 6569 13613 7494 22160 10388 7969 13667 15570 11937 11188 4808 9077 5529 6887 9547 18923 8694 11258 5402 23044 6168 5852 10545 15953 5208 7265 8158 5915 11028 14646 15252 8143 19249 8015 13799 6185 6868 11432 10027 7241 4769 5473 8330 16822 21185 25782 6941 10001 19937 10758 33468 8602 16464 6698 13020 12903 15260 16734 22275 18542 6442 17120 14568 12366 15867 12066 8688 12172 19901 9358 6996 8022 14757 13406 7957 11541 8143 9414 14568 10198 8956 10048 9515 10277 11010 9981 6234 14296 18419 13051 17724 8901 9188 6222 4981 8333 11363 10228 11767 5001 8540 26006 9174 13273 11118 9656 13466 13000 14867 6959 26771 7951 4909 19485 5058 7323 4303 7104 7270 5118 10782 3630 9497 14023 7348 5925 9571 glyceric acid 1506 1562 1174 1649 2131 1119 1967 1516 1445 1827 2149 897 1373 1043 2446 1517 1613 986 5177 1827 967 3225 3170 1580 2072 1356 2224 1999 1744 1574 1852 1943 1978 1080 1324 2977 2256 2792 2247 3293 1146 2185 2039 1236 1478 3581 987 3012 1330 1768 1879 2317 2343 4806 1962 5302 4065 1316 5172 2726 2457 821 1195 3338 2818 2180 1435 1222 959 1538 2422 963 1913 1305 1045 4120 5276 1479 1736 1194 1117 1593 576 1186 2503 833 1422 4755 1522 1916 2475 1265 4039 988 1890 834 1989 3285 2069 1150 3177 1248 899 1748 1890 1769 2239 1497 1675 1868 2658 2680 1078 1532 3433 2357 2110 1398 2931 2771 1188 1259 1171 1609 3166 1446 1109 1144 2587 1001 1533 1298 2541 1268 3123 1875 1673 2027 898 1814 1721 3030 2837 1975 4033 4278 2865 2198 1732 3092 1803 3495 1155 872 2085 1410 2259 2468 1828 3452 1269 1871 1216 2817 1639 2062 834 1101 2520 2989 1124 1823 1269 2023 2290 6275 2100 1147 527 4307 1155 1905 1808 2170 2687 1614 1990 2024 4630 398 2147 3214 899 1813 3064 1354 574 1659 1723 3391 2592 3520 1901 2441 4931 1730 2685 1402 781 2275 1506 1761 1485 2693 2152 1579 1024 1057 2157 1541 3913 3418 1843 2238 2001 2016 1915 1337 3030 4737 1017 1945 1258 994 1734 1407 2988 1304 1714 3060 2029 1402 1672 2486 3719 2538 1371 1333 2107 2916 3099 1576 1716 3600 2054 2785 2981 910 3372 1677 1921 2634 1514 3913 1388 1464 3533 2082 2426 2434 1728 1751 1476 1184 1902 1587 2238 2888 1948 7481 3960 2128 1487 2046 3128 5117 906 1352 2027 986 1877 1834 1503 2150 2593 2131 3162 1808 2479 glutamine 51548 76223 42989 64347 47324 65497 50289 51345 61654 52792 36869 71739 42904 45538 47496 43195 47933 51293 50652 47774 58031 37228 72037 62562 47379 46572 46998 37824 57814 40675 74644 84563 65302 52570 49378 66223 62757 52822 61062 30782 50997 51837 48920 41794 45291 55453 67194 42598 59209 46313 57145 43429 59122 52889 40703 75278 53744 35613 50746 46442 58197 56264 60372 40521 41475 34547 49850 60487 60041 26984 48711 49124 53609 44659 37709 67580 53211 55960 57209 51805 23140 35827 42465 55428 65212 46941 49276 47350 48451 49783 53009 48694 45020 55319 51644 50815 41129 35753 50956 50018 55942 45857 66598 6768 29930 62722 47242 46543 66916 64230 43085 51551 48354 42905 37910 38706 38404 41798 73506 52457 63215 39928 37551 61057 45509 43268 57890 29826 48644 108890 67641 42626 40653 84426 42680 46250 50011 51574 45109 33305 53133 45431 60611 45379 38924 58815 37897 48622 30133 46125 51483 67586 65333 50907 40478 35602 65077 48953 47844 59758 65767 44327 65379 65460 39004 33626 66165 35791 47731 51329 42591 59108 41204 41588 50587 51546 55392 43479 58519 38750 43381 48160 55273 78027 63289 64558 69513 41954 36440 35257 45048 56704 52599 47366 32434 58577 42720 58847 35049 72918 41537 47615 51111 43993 93607 48752 49114 40058 55191 38253 47789 38167 43898 54170 61044 53319 62565 36428 26222 53678 58575 40956 61509 49504 54468 38956 29024 42686 82601 101228 64307 72875 32654 49826 72484 45670 58273 62647 54532 54339 51736 32597 53459 57154 58892 45173 50675 51360 44591 52510 43508 33918 33608 44081 44591 52302 36114 35645 48775 52947 41158 55978 46073 57400 43182 55705 50918 34418 49603 43019 33877 56191 39749 49376 53360 59098 36370 45784 59327 51009 54989 57983 41863 54511 50834 52929 28546 42956 28308 72111 32737 56170 35075 47257 46751 37425 41860 58444 35178 glucuronic acid 556 859 477 494 343 851 113 373 171 396 367 320 115 102 88 1471 444 551 452 371 728 91 994 493 571 2034 126 508 2296 86 2832 525 965 2060 2177 2396 507 109 464 539 443 92 2454 407 321 361 50 69 378 508 646 1883 2616 2882 917 2979 426 408 3064 490 587 103 372 107 489 338 428 964 653 277 1963 104 70 304 321 70 708 2079 736 176 487 323 330 382 474 547 539 1549 445 78 954 384 83 84 661 606 1627 868 91 377 631 479 1632 2008 732 83 654 527 2753 2686 3720 1069 183 536 202 117 5062 668 3874 268 2182 638 1731 75 336 418 1998 819 2765 1368 1956 253 555 841 344 3335 816 92 517 427 254 118 350 111 605 425 485 83 309 146 598 803 1811 485 2623 83 318 818 651 53 1695 290 435 2470 436 88 659 105 2392 626 444 68 109 5729 807 348 138 2072 639 548 188 307 608 575 2448 1481 678 822 2253 424 508 618 695 1068 2797 849 94 938 133 110 501 111 1481 2093 811 581 375 326 431 262 2897 597 354 576 2424 1936 2177 111 782 2406 99 581 450 461 543 443 256 457 92 1260 606 571 981 140 101 392 110 504 450 117 369 442 223 2202 357 523 1712 129 1883 1433 351 73 587 3413 3526 2669 4647 166 479 465 507 546 227 4332 386 1532 865 532 453 2010 303 403 3344 286 1062 2058 1679 1821 816 447 151 468 372 112 1492 591 102 332 214 435 1122 2279 1783 557 1804 265 111 721 456 glucose 310164 222571 114102 253116 272472 148105 288601 173596 213324 134809 100681 172323 204822 682095 105435 110788 97310 122528 151406 199915 146275 130987 178030 127409 215497 126046 260350 97487 179845 161481 151256 175289 141190 127606 167013 122636 138571 179438 195554 190197 126090 161628 168183 470411 151080 127854 124557 177705 142702 93675 150735 133754 238400 149380 112470 150997 92425 181918 168447 189892 169030 138419 167831 118629 216933 88886 200191 189282 223744 196196 144636 121098 159685 178430 136257 197600 122358 158409 109885 640384 98933 199263 100646 138126 147497 155049 157066 109213 121698 129014 106712 129080 104123 167332 204328 141323 99730 130884 203366 127248 130859 95475 109998 242634 112763 187659 124570 181543 180554 161418 263763 144362 685832 99836 193207 154552 511546 185561 223386 163990 164317 157639 121689 199877 145097 116536 151189 120884 138791 150211 139647 241399 119048 115921 154275 234781 145358 173630 202294 134823 90508 111847 179955 169039 305758 110986 162918 174778 133361 137336 150960 167368 157337 151760 157031 177784 81676 273685 178439 131111 107156 143609 174464 109970 437897 132485 234945 167619 121912 131309 245302 184422 82426 662507 148810 174392 222859 171296 145699 141160 158683 102258 112613 169628 102678 120173 214634 126684 131990 173017 126351 111492 124189 166875 167285 244568 132038 228474 154599 187021 122299 144562 142186 114140 186624 166801 138261 119542 126972 117854 144867 210290 128978 121308 150718 141423 129993 631807 224055 138278 172112 214772 184410 116384 89808 182196 94100 301214 136093 197122 164270 141559 115505 145029 184699 105796 168294 165561 139399 173009 656916 123260 222384 140413 121346 169006 294351 224552 133718 217396 111372 157551 667622 233487 208046 128491 427016 258644 97670 99613 680529 184998 116409 291783 105389 92020 105115 111332 151481 102075 104502 74880 219245 384002 204344 119149 115554 124489 125703 136071 188512 121343 173019 147015 80973 175453 111670 97703 79070 318641 163798 493243 119213 141074 104657 456996 148983 129142 147275 gluconic acid 341 339 244 340 277 326 437 110 249 91 189 232 125 542 76 407 267 169 236 175 59 133 273 288 129 286 301 212 145 119 155 101 393 358 231 139 228 145 389 257 286 105 159 539 265 218 188 386 213 265 314 112 460 212 296 80 202 150 157 325 329 151 244 451 203 186 223 248 277 214 214 107 91 235 65 480 70 271 340 183 116 109 152 175 220 302 282 472 252 58 102 74 82 1198 273 225 173 207 83 224 225 228 194 248 140 709 253 92 453 298 478 235 281 318 467 128 776 271 83 82 155 230 79 152 253 241 175 278 106 228 167 145 93 150 79 188 136 704 323 78 166 81 313 105 128 238 170 135 123 115 238 176 72 310 339 276 120 493 315 301 471 94 514 141 115 126 228 345 208 112 293 641 102 229 204 252 132 154 189 75 227 259 200 156 116 334 77 236 200 131 79 94 305 148 187 117 133 272 120 106 253 138 226 158 225 288 88 92 126 86 97 112 294 236 96 246 148 154 259 340 145 307 305 127 131 86 119 502 292 623 121 355 267 84 277 128 140 147 262 135 827 144 233 239 272 157 337 217 184 125 101 224 533 741 87 72 1050 717 210 246 233 105 135 169 205 249 246 279 170 213 120 134 185 306 243 41 109 246 239 197 159 352 184 155 180 292 164 165 101 420 227 1308 172 236 278 326 131 289 305 gamma-tocopherol 1143 1082 767 1578 1349 622 626 202 1134 141 468 1289 758 1381 414 972 734 1260 698 372 886 173 1035 407 240 855 1181 240 772 558 973 367 317 1002 575 472 1163 421 860 516 871 188 836 2556 310 1016 810 433 499 207 1617 641 284 492 685 204 240 723 249 611 1258 829 1484 549 424 168 733 1006 996 1276 895 253 192 403 168 274 397 665 317 941 565 286 442 614 777 658 398 273 1229 643 415 1776 182 647 858 847 593 347 187 713 198 218 741 603 266 727 1497 824 694 852 1203 404 195 954 173 154 1717 1571 554 191 746 1019 544 192 767 930 1012 768 450 463 690 410 735 564 276 800 842 164 225 574 208 238 481 190 541 362 588 913 523 181 235 676 675 823 1157 933 660 1267 1025 149 900 510 944 543 464 217 1117 566 476 238 743 1229 780 1072 248 440 180 617 859 722 853 680 600 494 433 226 779 510 312 365 883 615 124 194 315 914 824 1328 925 143 375 227 746 305 205 846 508 933 143 810 537 515 654 156 370 571 434 1771 590 946 147 390 467 791 894 609 340 1451 634 604 597 354 608 514 168 1216 167 272 162 211 1106 1763 198 863 332 929 1711 867 569 312 370 220 805 323 312 368 472 1701 130 393 1058 260 580 398 1145 901 591 419 505 672 738 407 532 777 154 786 329 608 207 394 205 413 229 167 251 1317 147 730 507 446 567 1219 744 145 887 448 669 1067 210 galactonic acid 344 298 191 196 317 334 352 232 203 200 193 142 159 274 98 139 158 271 149 265 241 184 381 156 208 23 206 88 140 172 95 257 235 134 154 109 187 280 208 189 141 256 304 418 209 233 171 242 123 136 251 252 168 218 189 290 176 284 173 303 295 145 133 119 177 126 220 59 158 178 149 218 180 190 154 322 76 222 169 537 145 247 114 88 231 92 160 430 73 143 123 88 173 193 253 125 130 119 243 167 175 120 38 163 137 188 113 180 206 285 262 313 367 311 168 152 312 153 291 211 172 339 138 201 161 236 146 94 72 309 146 278 98 229 166 261 89 164 171 452 63 264 136 165 162 119 129 171 272 191 111 255 280 162 221 152 269 349 307 168 515 180 112 106 153 160 195 116 212 91 181 236 181 767 324 311 204 126 43 199 125 150 119 355 102 226 145 225 143 322 191 170 161 232 133 269 133 177 253 148 120 203 266 141 267 271 163 231 174 84 161 155 218 108 215 171 124 251 171 193 171 288 248 70 221 161 194 341 124 499 246 119 250 140 174 221 234 133 149 391 672 60 260 140 251 227 425 229 168 214 110 227 439 435 238 188 246 156 101 222 415 150 111 423 109 89 279 137 149 187 215 217 160 275 140 140 166 182 239 79 192 227 240 172 138 117 144 101 144 242 222 915 91 164 219 180 195 185 122 fumaric acid 309 291 142 378 332 288 67 120 97 82 107 113 84 88 100 67 215 116 105 77 101 94 108 51 93 110 84 201 80 70 317 305 207 253 165 345 187 112 191 88 78 132 278 148 117 104 439 85 146 277 152 75 90 145 100 87 122 75 189 431 923 95 290 94 86 230 338 137 277 182 79 80 103 101 87 100 73 91 286 131 97 175 325 360 174 254 164 101 269 78 212 86 134 104 134 86 110 201 96 127 227 301 59 86 288 201 282 99 131 158 193 289 77 305 77 152 133 271 101 125 161 134 128 102 294 169 255 316 250 99 176 100 84 112 91 123 79 241 272 206 204 82 444 117 69 292 88 102 283 116 181 87 65 312 180 216 172 433 228 100 83 186 158 119 61 131 89 66 192 74 73 68 115 181 261 237 151 356 81 479 78 81 277 119 72 307 88 245 141 84 292 306 333 344 144 153 109 123 84 91 271 104 160 123 141 110 110 102 259 68 241 259 81 202 334 230 115 115 79 169 136 416 228 60 322 106 235 380 87 530 225 103 239 84 96 103 141 80 302 98 489 86 134 112 156 124 310 102 81 90 97 305 544 124 63 89 125 81 190 326 93 64 168 132 345 63 119 288 379 127 138 270 233 92 246 126 71 73 292 213 115 122 382 116 71 134 94 159 187 113 303 211 171 111 163 298 123 381 222 fructose 3285 2130 1243 13697 8411 1745 14546 259 3461 370 723 1508 265 254 266 633 953 2303 806 1136 6672 314 2422 972 1464 1500 266 915 10521 258 1098 1213 2229 1362 1691 1348 1918 267 6209 621 6335 367 6705 4365 1136 813 771 198 511 1305 1541 1118 7336 1639 1501 9655 1759 1733 6533 1070 7878 256 1180 654 596 1253 3060 1058 2497 6415 1108 258 286 2211 239 4994 977 884 1135 2242 442 1159 993 9085 2200 1495 503 2992 881 223 1404 755 896 302 1284 4216 2397 5970 266 593 1119 1376 783 406 1199 246 8819 1132 1047 1040 14177 1659 3830 3157 7631 1255 4740 1102 1863 254 718 1352 1180 232 2289 1214 1598 1370 7475 1315 2144 1953 1009 1603 6512 1385 4343 274 1648 330 1150 304 3566 266 294 3201 604 302 1865 819 1055 922 833 1587 907 5575 1318 8276 6876 1103 1121 1894 649 614 262 344 643 268 721 991 1381 214 371 4065 7065 1921 229 12270 2399 1602 798 1000 1079 1987 16211 1591 1856 1614 1566 1052 2333 2828 1488 2857 2033 3577 1945 27549 596 2313 1876 303 1466 1387 1832 1748 1118 977 943 791 451 218 7741 2326 7360 707 1003 328 6819 5734 267 2928 3027 749 1022 2558 1494 2341 2648 1829 1717 1599 3297 459 329 934 318 1424 2221 280 6910 1151 5419 1738 3442 905 7439 277 1176 379 1469 308 4923 814 1051 1954 1310 8325 1331 2706 273 477 1274 3485 1252 1277 1505 781 1903 888 950 1763 1829 4169 1229 652 1875 938 1758 2840 335 2024 2151 288 1061 1163 230 864 377 6985 5223 4546 873 1687 584 3435 2638 3333 6425 ethanolamine 4770 3840 283 371 209 173 258 3840 336 577 119 3015 194 455 2703 281 139 269 373 252 153 374 308 2857 248 3116 293 2143 2770 257 302 292 3093 4765 237 576 447 396 332 1217 3009 477 2902 3187 133 321 3427 312 462 184 2232 142 182 401 218 209 2701 483 482 3696 284 369 286 1985 2772 142 231 4331 224 2693 2362 1521 363 943 358 352 214 228 227 508 2408 223 2846 244 233 4141 1492 2539 247 2309 158 490 380 417 238 3618 406 2128 339 407 4055 306 3226 775 3398 270 318 4810 404 327 465 353 343 495 435 366 481 2682 295 405 344 308 339 425 2741 2578 3627 229 197 432 3820 330 298 202 2541 296 284 291 253 1695 2196 290 435 302 3392 312 3946 290 2639 2661 410 259 276 3740 359 201 374 192 3028 245 263 3617 755 279 212 365 688 1709 425 237 235 235 264 381 275 491 2125 199 3368 343 1283 287 3433 224 184 157 189 4383 288 297 164 464 2397 202 392 394 348 525 198 177 2707 336 319 223 411 223 3363 263 2733 243 2938 210 2724 157 294 426 3900 483 1293 366 477 307 3770 236 3125 3365 298 2995 3833 391 411 370 223 2837 406 240 343 299 2835 328 3153 282 197 344 343 334 244 325 221 244 335 4059 282 2372 271 206 265 311 199 3782 389 2109 368 282 2094 140 2920 250 269 249 263 146 233 483 213 3301 242 291 287 301 360 3128 460 3070 152 414 207 195 3161 473 221 225 253 136 2745 330 268 293 2877 erythritol 852 676 415 712 266 688 499 100 117 118 255 498 783 94 114 951 326 431 792 523 586 91 961 698 600 561 139 378 552 80 616 511 501 529 483 543 460 178 658 118 584 131 628 565 417 445 856 1131 327 529 644 867 968 585 610 1354 334 479 865 475 1063 152 565 269 599 434 395 638 477 461 440 77 93 88 190 614 514 506 431 969 500 457 348 641 399 427 122 758 503 89 506 465 139 581 756 722 526 347 93 145 408 614 418 106 288 140 808 86 843 640 940 408 551 762 59 97 605 514 1042 83 703 689 413 73 683 379 404 386 391 2299 446 327 448 722 94 578 90 105 536 877 308 126 553 610 100 679 345 372 302 490 804 748 729 735 699 648 1298 560 682 516 1958 489 832 646 92 162 118 98 490 82 639 400 417 1633 536 480 101 529 535 733 103 485 526 677 715 825 80 440 466 349 475 524 401 641 415 135 134 107 403 679 592 124 536 209 911 608 294 105 493 462 167 125 774 309 613 805 376 1010 98 661 140 522 651 305 285 99 512 710 683 2286 563 730 673 75 83 310 110 585 591 173 785 526 116 854 646 114 625 121 541 743 339 114 848 139 746 515 554 80 266 564 153 567 305 670 317 344 401 396 605 334 430 118 312 436 319 498 308 661 921 637 126 581 904 70 598 1027 79 375 137 101 635 1945 93 441 263 726 617 809 487 elaidic acid 698 2623 2155 410 327 1599 1525 1766 956 2978 113 937 364 1380 228 530 210 1458 1478 373 226 1053 397 4917 550 113 407 881 59 1225 81 623 1709 161 71 57 455 658 566 1073 482 3019 604 1760 1362 1083 3031 387 2621 2033 1370 548 61 171 537 87 379 1191 153 1172 541 960 1042 3460 552 1038 185 2088 1690 2136 59 790 2815 872 723 82 65 212 705 3001 456 1687 1031 123 504 1076 924 1160 3101 1722 267 86 1843 5106 785 207 116 619 2050 1256 1697 758 72 1059 1595 2512 2006 442 148 149 168 2834 3631 1284 2509 1898 215 1988 107 2510 84 631 79 4562 1230 1274 74 510 88 2895 81 552 864 974 1170 135 451 2815 877 2149 1837 589 1256 2996 782 1161 320 2151 503 2770 2088 772 87 565 140 226 640 1126 474 82 61 940 181 91 531 1998 1775 823 157 714 73 415 1376 185 349 986 1552 72 3586 2961 2940 2314 207 365 114 1908 511 1253 128 3199 683 7242 1364 693 164 772 883 1067 530 86 292 2144 1665 139 2260 738 1982 872 638 81 82 746 547 617 146 57 171 2985 1619 176 4045 250 1888 72 1627 294 602 2233 70 415 686 1146 312 2858 2771 1958 3938 2898 1620 718 2249 1414 886 150 283 2881 149 1141 99 451 71 665 932 150 82 74 183 1309 438 760 1193 1845 121 161 2051 103 615 3463 740 146 1706 412 170 1308 1179 128 59 78 1624 1560 564 1058 2118 1459 75 1241 310 99 241 922 417 600 81 228 177 1073 764 223 332 dihydro-3-coumaric acid 226 307 138 186 346 136 192 299 523 315 100 172 605 527 469 114 119 273 344 106 130 159 158 122 152 200 538 127 169 343 142 154 180 147 265 102 368 874 147 292 107 519 161 230 142 144 189 924 158 118 143 207 300 240 142 121 142 462 167 169 155 270 154 357 392 126 425 111 335 204 148 270 129 218 147 172 113 450 114 275 137 193 107 380 272 306 199 108 213 344 128 158 144 181 158 326 196 97 249 274 230 107 256 292 245 396 241 131 645 308 422 184 470 352 892 142 297 112 272 159 300 279 115 159 139 110 119 150 622 171 158 201 137 271 147 446 190 489 122 186 174 269 213 300 171 84 129 169 157 531 477 170 97 107 266 110 197 217 752 789 147 151 246 448 187 400 516 407 260 277 186 376 287 294 94 113 612 103 160 229 168 172 135 120 445 553 427 1001 404 124 153 155 136 217 212 627 198 472 383 440 174 437 139 194 169 191 131 161 130 105 150 387 144 144 521 228 194 298 523 158 548 630 139 99 261 128 85 104 278 185 115 203 132 375 129 91 513 200 185 723 354 380 154 233 120 411 244 453 159 235 145 593 257 177 131 146 189 484 111 104 544 135 116 171 244 95 172 123 149 108 132 226 235 184 165 137 138 296 102 148 486 326 161 210 171 111 316 115 123 346 131 243 142 270 134 151 157 173 117 cystine 7535 9923 5894 8006 9154 3016 3965 4371 7024 3857 3815 5370 4956 2460 3396 4779 2247 2659 1843 3800 5884 500 5989 2447 3842 4730 5643 3232 4316 2970 5994 8437 8796 6179 6117 6281 3438 6192 9385 4181 3947 5962 2451 4860 6544 3400 3666 3997 3003 4584 2417 4263 4456 2430 5638 4370 2328 4346 3843 2704 6278 7747 7691 4965 7363 3727 3791 4675 8211 1488 7379 3815 3800 5536 760 3073 671 3275 4967 3782 2998 3287 8589 1266 7980 2572 5640 3358 3322 2029 2149 4283 3658 8378 2728 3887 4098 1448 4115 2657 3499 7322 6827 3198 4961 7858 8593 7172 11598 8853 10051 10516 6485 8172 3083 3566 3880 6703 6483 6834 5400 5853 6141 5994 3566 4059 3621 3226 3641 3028 4548 2578 3266 4884 3476 3905 5566 2359 5592 1439 1047 3575 5429 2022 1447 4206 2198 4876 2003 2922 3684 3672 2628 5372 4219 4790 3113 4895 5625 2379 3451 3314 4987 3233 3277 2720 3142 2068 3587 2629 5449 4939 2936 10848 3308 6007 6666 3657 5343 5320 2620 1939 3883 2720 3455 8711 6294 2616 4226 1656 8376 1178 2931 2467 5821 3468 2065 2942 2075 4454 3375 4692 4268 2508 5250 3917 2838 2820 4047 2964 5536 3769 2780 7485 3893 5455 3912 2676 3334 5211 3993 9241 7865 5340 4688 6992 2967 7611 4930 6994 5242 9513 6293 3884 5958 3715 7194 6600 8167 5490 6581 1835 2995 8274 4035 4309 5750 3860 4354 5295 2503 5364 3680 884 3349 3375 5150 2957 2398 6728 2959 3524 4931 4757 3700 3358 2655 2007 3945 3142 2421 3875 4430 6657 2670 3781 2890 3066 4650 3770 2175 3978 4434 3068 4430 3539 2849 2910 1036 6595 2205 7893 4092 4724 2034 1286 1486 3630 3597 cysteine-glycine 299 290 154 299 281 453 233 333 265 187 193 194 253 189 205 251 218 155 143 103 131 103 158 134 158 264 301 119 481 215 96 281 217 270 343 123 218 187 279 145 171 322 207 200 246 192 293 193 135 180 200 273 329 192 164 255 124 241 227 153 145 220 228 169 277 136 272 165 266 170 302 160 202 129 147 270 110 166 243 187 203 157 132 89 197 274 119 153 252 225 220 69 256 278 184 162 179 96 271 128 136 255 223 132 165 287 205 257 558 369 540 168 323 224 213 258 1175 209 296 283 195 282 204 238 210 267 128 227 99 223 230 174 163 193 370 255 223 190 206 212 164 189 317 206 155 207 198 178 175 202 165 191 131 186 323 171 191 114 177 123 193 219 701 168 128 234 156 187 159 227 312 307 218 180 181 155 270 123 121 166 163 177 156 207 119 222 176 126 145 148 231 118 151 168 250 251 213 129 167 194 202 286 202 207 243 157 173 281 185 94 90 221 105 304 140 248 251 168 145 436 185 325 175 81 322 352 113 257 147 351 257 396 244 822 304 161 302 218 277 250 313 130 214 233 177 219 175 215 203 151 104 281 266 736 131 125 1432 223 130 472 304 105 147 241 180 372 196 147 301 305 149 230 181 186 270 141 127 227 226 140 249 291 270 190 130 164 165 187 183 404 177 128 225 163 309 117 199 198 141 cysteine 3110 6008 2051 4681 4667 5573 4111 2474 5712 4489 2362 2713 3064 2104 2099 3232 1684 1331 1087 1036 1464 834 2005 1993 1698 1419 2024 818 2150 1347 5604 5431 4069 7494 5521 2929 4546 2460 6098 3859 2760 4279 1192 1640 3062 2138 2602 2424 1649 3432 2494 4806 1636 1492 1452 2085 739 3967 2176 1509 2246 3952 6341 1643 5008 2571 3416 2949 4324 1264 4131 2646 3139 5507 995 1666 575 1383 1727 2797 1734 1665 2523 1630 2404 1624 2666 1655 2557 1259 2137 1716 3492 5320 1497 1268 1860 706 2317 2285 1661 4392 3090 1488 1294 6024 3556 4050 8172 5118 4391 4633 6313 3011 1939 3551 4937 3549 8459 3283 3355 3664 3473 3400 4977 3612 3769 3022 3508 2280 3957 2561 2944 3318 4961 4868 3679 1815 2909 1810 1481 3419 5668 1822 1474 2131 1907 5067 1513 2523 2602 1385 1734 2043 2074 1804 1585 2422 2972 1521 1452 3017 185 1735 1726 2839 2661 1409 993 2169 2609 2877 1920 3528 1902 1709 3001 2122 1950 2641 2570 1162 2003 1252 1322 4884 2733 1610 1229 1231 1722 1208 2106 1574 2832 3519 2078 3483 2053 3233 2005 2327 1436 847 1769 1247 1439 1630 1454 1053 2915 3715 1781 2653 5404 3875 2836 2053 2238 2317 2712 6307 5590 2599 2799 5126 1506 4474 3475 5910 5938 5602 3196 3658 3623 2664 5973 5181 4891 4267 4062 1632 1721 5856 2210 1979 2740 3199 1951 2518 2423 2712 2523 285 1574 1208 1866 2463 1643 2032 2705 1826 2468 2682 2085 773 1183 1012 2791 2064 1723 2369 2465 1634 2134 1453 991 1282 3124 1304 2258 2160 2603 2081 1088 1316 1313 1526 1638 6142 2351 1824 3826 1938 883 1408 2241 1573 1672 creatinine 2551 3160 451 1659 3235 6447 1140 2109 5843 1320 2855 1394 1444 623 837 3195 2017 3397 2783 2309 1996 790 6766 676 468 621 735 928 2483 416 1456 2717 2237 3115 3509 1414 2161 2358 2663 821 884 3253 1994 1740 3160 1657 3143 1576 355 1123 2833 3635 3368 1974 1089 1853 1140 1209 1809 1945 515 1227 4906 1088 3611 649 2138 1037 2795 357 2695 660 1460 731 886 2193 919 3321 2392 1777 1411 670 862 2498 2387 1718 747 3791 1692 512 2525 2785 1760 978 2419 3102 1306 738 1715 818 1763 632 2932 613 1351 2213 1782 4198 4342 4358 1917 2158 2896 2782 914 569 3096 1007 4110 778 2334 4738 3026 1112 3581 3200 2880 2433 2099 1179 3228 711 1963 1289 455 1886 3733 1311 927 487 1085 663 2244 1115 434 2080 2360 394 2179 1944 1769 2812 1599 2842 3475 1083 574 2065 1065 954 12501 1258 2509 2039 417 1095 858 1324 975 1241 1069 1296 699 4230 1435 1132 1626 1426 514 2490 604 364 1276 3084 1097 2697 1446 2028 1303 286 4628 871 1884 541 2124 3301 495 1205 1113 1566 1092 1761 3426 823 5715 1660 996 2722 1115 1247 1213 1020 863 1382 2052 4462 1254 889 587 1621 1125 5547 3337 1121 694 2808 2009 4092 981 16923 4729 3303 2282 1075 1510 435 2389 991 1552 3271 1767 1102 690 1612 760 1321 2963 2188 1516 535 1515 2401 2131 4274 1081 1841 2755 1182 1242 1481 2423 719 1182 1400 517 2288 2679 2649 4048 1671 730 1178 1521 1870 792 1047 813 2564 3223 2005 1540 1989 2083 522 1492 1904 573 2979 2596 1053 1708 2216 1811 658 1053 683 1511 2943 788 conduritol-beta-epoxide 353 228 85 500 386 391 351 375 320 360 394 178 213 201 378 121 109 122 566 330 113 744 754 650 770 337 141 179 297 86 223 278 2810 310 193 1125 442 144 411 236 65 123 336 230 298 202 180 362 210 554 394 111 240 401 334 1438 201 80 424 330 1150 187 477 164 502 426 136 183 277 394 173 193 871 157 88 248 532 284 343 487 177 92 173 53 261 98 274 303 506 87 440 227 619 389 220 219 196 133 530 92 281 425 243 702 146 774 260 391 298 609 709 416 224 216 142 187 320 356 879 204 365 200 403 357 458 224 134 153 431 183 204 147 100 66 131 666 214 86 250 1092 138 86 396 657 330 259 75 320 323 111 627 334 180 191 321 214 1419 350 332 215 1233 200 234 328 219 126 115 80 256 360 88 61 326 515 631 889 269 71 95 577 102 196 438 487 515 380 150 156 824 165 201 743 263 403 321 135 90 529 113 426 503 580 378 252 1259 279 300 124 101 344 220 136 391 123 836 658 196 214 86 857 1318 326 307 597 533 105 227 148 422 2065 242 988 309 188 107 94 134 215 144 870 410 112 384 654 657 260 348 218 392 251 586 520 440 285 618 876 426 85 268 501 212 394 786 645 327 280 601 166 920 580 180 95 312 148 277 310 194 108 423 1338 203 1208 323 722 453 353 72 86 97 116 747 3502 630 184 339 340 106 373 260 citrulline 1633 2117 1424 1978 1350 970 1875 216 214 734 1242 1647 1509 1053 424 1410 1304 1358 1776 1466 1785 850 2928 1730 1523 194 236 983 106 844 107 1961 2446 1123 103 90 1960 141 1558 1060 1891 1446 1087 1063 1470 1725 2024 179 1101 2028 1605 1063 85 1010 1729 96 1642 1054 209 2075 2034 1313 3013 197 1219 1110 1473 1914 1307 1578 87 1030 989 1418 824 1340 1355 2127 1830 646 1251 1008 1430 91 2224 1948 1348 1171 1513 470 1660 102 450 1171 2069 1387 920 969 1126 1245 1852 1402 93 510 1051 230 2000 2445 164 222 962 2308 548 2232 196 580 1197 1491 121 457 120 1917 101 964 1680 1143 71 1154 1041 1907 74 1389 1181 2289 740 1560 1539 267 1034 1089 1034 856 1697 155 1668 1842 1295 447 2122 1220 1409 2288 98 1809 1256 1479 1414 1774 1509 983 108 1467 197 134 985 163 1296 192 1463 2462 122 107 843 138 2142 1834 1431 917 1893 1734 1136 833 2123 2060 144 1770 1764 2102 1481 1175 1867 1215 1804 1695 1025 283 911 797 1428 1247 1722 140 1680 1369 1704 2035 1428 1281 2346 1142 84 1202 1509 1825 1399 89 1526 946 890 1715 190 1518 2141 96 1624 1259 1490 1210 1096 2787 2430 1503 1746 721 679 1084 201 1674 2373 227 2203 1561 1065 138 1478 1537 1666 1232 1228 1750 1012 244 1778 169 97 102 147 1336 1482 762 1294 1392 1340 1713 1308 106 1446 1420 1504 1436 1158 2189 1420 1076 1478 151 115 104 1925 1888 1167 1458 1664 907 102 1952 590 1598 924 1524 1387 2084 108 1939 1577 1605 1158 2241 1056 citric acid 9076 13245 5740 12435 9613 8891 10068 115 119 77 5633 8631 94 9127 77 67 6862 9544 13959 10222 7860 8726 9634 13507 11123 11915 8341 7454 57 6939 76 10070 96 136 74 70 7371 114 10959 71 8550 116 5539 10352 7225 8686 16207 6758 8492 73 10306 93 64 151 5624 99 5223 12596 185 8399 15974 93 12030 160 11140 7586 8463 8010 10389 69 67 115 77 8245 6836 80 82 8099 7623 89 97 7045 76 132 7513 11305 8694 9053 79 6646 8904 91 8505 100 9243 7899 144 8222 91 9339 72 62 57 8017 7086 118 13430 8222 9696 124 127 7043 81 6579 129 114 131 11390 120 8723 78 10338 8607 92 11867 9392 64 6782 142 13124 72 6164 7041 7289 88 114 71 64 8864 6642 66 7235 16593 114 13068 12058 9128 8572 8973 111 5669 7611 77 8320 180 14243 11515 12964 13364 68 84 9585 161 80 6309 7887 188 90 179 7214 81 7483 120 163 10160 12731 133 67 13402 9899 69 10621 92 8844 104 88 7330 10982 160 18442 10976 13898 76 7887 165 105 90 73 100 116 8817 9100 9494 125 10983 8058 12650 10360 62 65 107 100 11965 72 149 92 112 110 9314 121 138 12966 12697 68 9201 6840 8309 9672 96 11078 14421 13638 8416 108 112 7206 105 71 88 8875 16716 6298 7905 94 11921 123 8855 114 67 4963 88 9177 9035 132 102 102 142 7518 75 10899 10451 6785 101 171 8543 93 8124 7014 7780 140 7743 11905 170 11004 7613 131 78 87 91 11181 102 9518 9449 85 69 9882 5787 8853 8919 90 7779 10713 6988 54 146 111 80 12562 86 citramalic acid 81 206 96 122 167 93 158 110 106 89 85 157 99 92 77 85 150 92 112 150 87 85 142 83 128 148 106 91 68 96 179 96 89 126 48 98 147 120 135 77 114 92 89 130 135 137 167 126 92 71 91 114 82 179 73 136 87 92 291 205 104 97 102 58 78 83 157 154 234 141 71 93 78 76 96 445 102 141 98 80 111 98 84 104 161 134 114 94 116 66 105 110 67 85 132 130 99 61 80 145 116 92 59 84 132 102 129 71 124 138 121 91 122 104 85 77 83 122 189 72 93 77 71 85 124 140 92 130 133 148 85 149 87 132 129 155 83 61 118 78 157 92 94 117 84 159 89 96 160 117 122 143 75 106 113 183 156 90 141 137 103 116 183 129 72 89 77 62 192 72 74 80 89 238 174 290 49 156 96 142 73 96 66 119 127 103 117 156 102 98 143 96 186 95 212 103 84 84 77 121 105 122 127 158 102 197 86 103 68 100 117 89 213 128 202 68 130 109 76 193 108 175 102 99 129 108 107 146 149 193 81 120 191 102 95 105 96 103 124 121 164 129 128 112 103 103 123 104 75 83 79 94 168 156 130 81 129 82 97 165 96 63 73 260 82 63 133 108 168 156 156 78 174 86 152 137 71 78 159 106 93 135 167 98 93 123 80 188 106 76 120 123 74 80 186 154 104 128 102 cholesterol 39799 41693 34109 37132 29733 41151 35204 34007 43673 37111 31543 37375 46322 83429 24273 38116 32211 43055 59480 18158 43279 25109 62618 55534 45533 36683 35775 48286 34380 43432 27368 31929 38078 31014 25716 30133 40244 39830 49569 17076 33484 46155 45383 68763 47408 42281 45934 29423 37700 38237 59581 33628 26526 31816 37513 24904 29784 35606 35209 36966 166224 41697 51910 36294 98280 37091 43930 50645 32334 58915 49771 32830 30044 28172 35878 38010 29609 37262 47089 50823 27909 40771 38433 32012 38404 37127 32096 36888 63137 33494 23800 54307 37477 34533 39561 36356 37348 25909 31939 35482 55392 40069 40867 20104 31508 38110 70028 26725 171030 99909 148182 36464 47269 42879 30472 32864 60894 39844 37528 26751 39706 43786 37133 33086 32133 41567 31136 43942 37212 46220 35514 27377 34697 33454 41245 38857 62532 90519 51902 51458 61644 46888 39490 52088 41375 29999 27738 40276 26520 39396 72279 44467 30705 32177 38817 33485 36912 48082 72680 24022 31984 67041 70405 40970 51266 37168 52991 28801 37241 41865 43123 35183 37022 54703 38496 36081 31479 29341 35774 45571 49035 48231 34082 30846 26118 59412 32846 38143 30955 46772 32377 72780 67428 64323 41479 50800 33947 121638 40702 36385 37246 36952 33874 17808 36576 26707 41278 45906 34390 34529 31967 41536 49484 35827 33345 32661 25778 55640 29556 36197 35669 39557 30133 28874 49431 30263 41177 37205 24961 48395 36975 40295 40171 31444 34007 40386 46191 39768 34452 36996 51361 57533 47989 35357 38179 45839 52626 40686 30443 40651 32439 33774 55229 27786 34036 20682 49153 41635 33400 33596 48662 34847 34298 28326 62028 33246 71958 83604 46543 33903 41760 30223 30920 46396 63490 44222 30165 34265 49118 41107 36300 37567 40610 39210 17855 69438 30559 38824 37928 26694 41365 114472 42071 68631 43238 39097 37481 38179 52953 capric acid 1978 1833 2196 1649 3086 3081 2873 1802 338 643 1281 1883 451 612 1583 2876 2603 729 1726 1596 1176 1525 1587 3527 270 1126 374 1641 296 1435 290 2908 1882 371 227 421 2187 371 2173 3305 3151 484 2931 2450 1450 1923 2850 1885 519 3183 3280 407 224 2646 1771 325 1272 3342 1666 3548 1920 424 2041 436 470 2729 2048 3420 2771 3245 1956 563 712 321 613 656 347 1784 3003 1342 436 3686 2977 383 1980 3128 473 999 3999 684 201 2163 638 2814 1737 1385 331 3292 755 1754 1953 1809 205 2412 2663 369 2573 302 2281 285 380 2016 2476 2666 408 764 2738 1964 427 688 292 2151 1441 591 1596 965 225 2118 2829 2627 269 3106 375 2739 2838 327 199 348 3816 253 4002 630 3685 253 463 2822 427 570 2615 354 3613 1646 388 2520 3102 2626 2174 2603 2654 3083 252 3307 542 447 1614 392 491 1815 1313 1845 2686 1478 1479 2783 2570 3199 325 1944 4072 3688 1981 3119 2719 1561 263 4173 312 3254 341 3641 2972 3685 3191 3097 477 329 512 588 570 3639 2737 439 2027 336 2448 1665 1857 477 2786 1423 347 243 2790 3374 351 301 3675 530 460 1271 490 1953 2074 1436 1845 1505 1870 1138 653 4471 3217 1778 2141 784 732 2836 469 282 3360 421 4000 3735 567 280 1558 1645 3112 288 202 428 404 376 2352 1327 318 1405 265 1649 3543 3800 237 321 2811 511 3083 244 3139 3314 3201 2610 1700 2607 493 2036 3756 1350 243 1027 4028 1661 454 2762 3569 582 221 1714 622 1815 2084 544 3189 2334 188 2958 695 3516 1622 2645 2850 butane-2,3-diol (NIST) 374 467 550 965 868 371 465 557 552 327 557 1086 932 370 1063 506 602 293 468 414 777 536 758 606 1518 821 920 432 484 504 4219 318 531 542 351 553 792 753 784 247 466 828 772 375 691 993 314 665 481 335 482 1060 832 588 676 1183 643 502 940 491 330 294 1530 582 1070 941 407 355 702 1333 404 870 862 352 412 381 756 412 621 707 538 361 1059 999 483 434 354 1085 585 418 559 497 912 662 4353 528 221 263 411 479 2065 363 331 585 524 448 606 405 657 635 505 598 779 457 541 1002 719 606 499 319 1494 1510 629 482 290 828 905 783 1464 718 990 279 432 281 357 300 325 388 618 532 389 351 531 884 630 386 682 625 853 736 559 346 412 319 653 341 428 393 842 844 285 269 471 444 480 401 278 664 366 818 361 422 597 640 485 668 534 387 656 493 596 491 beta-mannosylglycerate 307 2154 3286 5678 5058 3173 4697 1373 4166 215 3365 3737 3844 266 99 1245 3489 4201 1903 2802 5310 309 4818 4662 1865 3676 6604 2004 3493 184 4935 3967 2431 4009 3811 4935 4188 3276 4191 3447 2114 5625 1998 110 3167 4827 4308 3009 3958 4447 4426 2690 3739 3829 3220 3406 3467 2952 4668 4999 3360 4796 4139 3824 1564 2413 3244 4095 5979 1354 2686 92 95 5107 95 1457 6022 3818 2603 87 3286 421 4810 4368 7431 3265 4735 2920 5648 63 3656 4041 142 200 4004 1987 3962 3674 97 5817 3609 3823 4868 3365 3248 5022 3625 3305 3778 2478 427 3980 208 3507 3669 105 273 2447 3718 78 4160 4617 4630 204 4433 1208 3609 2986 2862 1926 3559 1717 4103 2606 5088 2363 2581 2869 650 2788 2651 83 3845 3487 1934 1206 3367 123 2112 4797 3541 4865 2187 2284 2089 3823 1573 4168 3663 4164 714 4111 6199 4640 1156 491 4326 2487 4319 4690 753 2817 4231 265 3771 2988 3247 3543 4445 3479 4028 3896 2253 2379 3375 6259 2316 4382 3206 4421 3528 3629 3738 3242 3828 3127 154 4450 4461 4292 2751 3292 5012 3229 4504 4499 3563 3721 4928 2752 3073 1387 4720 3338 3018 2907 4672 141 3262 5736 4643 4944 4083 4840 4123 4201 1227 1931 5414 4487 4272 5680 4741 154 2965 3104 2201 3246 6142 5121 169 2133 120 3341 3053 4311 1110 3187 4814 2970 3837 2266 553 892 3150 3161 922 4618 3493 4588 478 4358 2870 2534 3160 2480 1309 2881 4822 3196 2945 1822 4420 254 4454 4522 2731 5703 944 4206 5990 3244 3635 241 3390 3529 76 3195 2839 3788 3434 941 1970 4779 3246 324 130 3937 225 beta-alanine 572 312 204 328 200 376 240 211 756 659 143 407 266 338 383 842 310 118 253 166 176 530 942 301 401 293 496 105 380 324 286 692 367 166 182 249 353 278 365 924 424 501 137 195 155 303 304 529 355 541 205 320 289 192 147 243 163 239 143 557 471 193 453 268 472 264 145 335 625 175 260 241 264 346 172 131 446 105 224 716 306 168 282 355 294 195 544 178 242 229 313 216 205 259 435 146 196 730 498 795 355 284 417 351 225 606 556 586 562 702 147 54 1001 240 277 259 237 290 5885 245 348 178 123 192 321 196 224 194 138 600 315 135 192 706 267 186 347 292 412 174 152 365 408 139 142 337 407 107 1197 149 1073 310 137 345 790 333 300 296 280 615 568 341 301 309 208 371 365 317 188 353 174 769 895 2150 206 149 258 542 251 353 526 274 388 152 1694 336 1066 399 229 212 2729 296 264 394 144 175 351 1509 505 1014 212 324 251 194 362 176 218 320 333 126 80 444 312 307 91 1148 287 654 422 314 188 1974 738 318 458 265 181 174 317 4210 153 465 383 250 345 309 410 258 282 218 223 243 500 186 192 307 1085 698 218 310 375 497 372 355 614 486 281 212 181 509 479 688 259 1223 248 144 805 222 614 149 226 459 360 124 298 298 179 271 328 278 137 344 195 307 157 385 227 398 394 419 72 371 94 272 219 339 383 899 154 benzylalcohol 3302 14265 190 14269 7182 16668 9027 7358 10104 11851 595 1074 11771 1667 7738 15113 2898 1591 2483 665 3475 16859 4911 12120 8875 4039 11887 13590 4353 5987 6015 7225 17622 6918 4925 9166 3813 316 8593 892 9979 8127 2337 2400 555 1031 3014 23128 1591 7112 1992 11291 9089 7667 4211 3292 6390 9795 18617 5429 8193 882 738 2074 402 2158 3267 8906 1877 170 5733 14718 13927 1112 1135 998 5090 3141 9404 1103 2647 1462 3988 5054 5128 4819 2440 2967 2200 3545 11187 776 3402 18998 7152 1171 926 7129 10423 2030 2572 7419 716 210 404 4658 1030 9819 2137 11699 4968 3803 839 2877 5720 1495 7089 8705 2574 4219 6173 18310 9597 1796 8759 1410 5368 6042 10512 16082 8841 5375 5675 25220 7751 1233 5191 11812 4463 4883 2575 6466 5546 6012 5191 11316 2227 493 6100 6878 1704 1849 4426 7109 4728 13943 4021 12676 2784 3812 25340 746 2650 5512 7448 7202 2562 2616 2186 12312 1537 7380 8865 18618 7570 3343 9153 6541 1268 762 1129 832 6509 14 5644 10821 9213 2982 6879 11085 1148 3984 3013 829 2887 4542 6643 1095 2515 2377 1397 6581 5004 3695 1816 948 3671 2238 4639 185 5781 8748 838 7630 11924 3538 2730 5991 496 5556 3738 10625 3127 7625 3208 3810 3055 8885 386 10294 4624 5755 1066 7379 7506 1222 7167 1366 6822 30152 11839 2478 22987 11777 10397 3286 5265 2493 6051 1401 5698 756 2353 296 2361 258 14005 4682 4663 6495 5247 5136 7877 7283 4240 1851 8052 9729 205 6458 2231 8912 3495 1662 8109 18959 10648 9317 9619 1779 4287 8553 1309 4530 8815 252 5462 7463 2762 2671 1053 29004 6236 4481 8080 4444 4334 13432 3288 benzoic acid 6183 6677 6403 5930 7605 4885 6292 7831 9846 12237 4036 6626 8993 8676 9939 7614 6236 4163 7409 6248 8324 9068 9447 7017 7915 4764 9096 5964 4291 10211 6537 6830 5414 8416 4110 7075 7480 11678 6548 11208 5918 9585 7441 6837 3816 6901 6175 8237 7971 5455 6752 8573 4245 8409 6345 5920 8005 7722 8158 8363 8291 8703 6504 8206 6450 6638 6616 8021 6616 7339 4483 9641 11446 10532 10495 7388 6995 6267 6960 9725 8948 8367 6645 5733 8176 7954 6262 4107 6959 9587 6464 8165 12779 10692 7475 6892 5290 6216 11409 9824 5343 6214 4599 7903 5965 8432 5611 5475 5469 5532 5565 7457 10344 6469 7946 9457 8599 9219 6574 10382 4420 7298 4251 9457 3841 3636 4018 4218 6886 6597 4097 7649 6265 6572 11063 5781 7612 8197 6138 9928 7292 9439 8355 7739 8094 7156 7681 12754 7272 9397 6264 7564 6492 4399 8739 6809 7948 6407 6243 6093 4851 7777 8465 8642 8268 8908 8111 7806 8753 8429 4671 8130 11179 8697 6574 6595 8321 4556 6209 6653 7471 7619 5805 6643 6443 5835 8617 7057 5295 6670 7184 7116 6324 7711 10268 8722 7145 7618 8770 7739 6550 8882 7253 8126 7798 6942 7078 8503 5809 5451 7720 9932 6380 6449 9263 4737 8056 10175 9790 8740 8003 6225 6542 5454 6355 6315 6198 3879 7488 8813 6519 7195 6881 11481 11004 6879 10080 10087 5520 9521 7415 8682 9918 5256 5903 8640 6886 8631 4807 7835 8492 7065 7460 7873 7353 7521 7201 7819 6630 7245 7779 8456 4655 7540 6236 3928 7277 6349 7016 8069 6221 6353 7992 5966 7307 4883 4658 3996 6604 6887 8711 6902 6069 11705 4278 6971 8498 7491 7656 7249 6630 8605 4629 5870 5236 6422 10571 7811 6582 aspartic acid 15374 4560 7017 5195 2013 8356 4986 3405 2734 4454 3464 4590 4596 3234 2644 3942 5547 5788 3376 3588 4153 6642 4054 2706 4461 4016 9244 4736 2283 4007 3355 8098 5253 9904 2260 9673 12593 5945 5614 11124 4145 4958 6625 4365 2274 3885 7946 3496 4093 9953 2572 4713 5426 3969 2615 2817 3894 4725 5742 6984 6926 7704 9672 1306 4791 2844 5970 4509 7839 4272 3308 1946 3882 2618 4800 5495 3860 2991 5047 5766 3796 4745 5302 10576 3958 6123 1983 4430 3029 5492 3639 3141 3220 4439 3895 3452 5991 2189 4291 3077 13366 5127 2830 2082 4052 8737 3221 3523 4036 7179 5611 6774 5625 12084 9356 2593 2871 1734 3230 2311 1845 3257 2814 3484 6898 4833 5109 1345 4277 2733 2581 4827 2743 3954 2121 6462 1737 5541 6985 4028 3004 1796 3393 2172 6237 6276 3701 4926 2640 4161 4148 3502 4634 11784 4750 3970 6266 4013 3458 3206 3079 3429 6210 3571 3866 3612 3631 5570 6485 4168 3319 3572 4383 5703 3639 3572 2842 5908 4617 4087 2768 2984 4987 5586 3469 6146 4313 14706 1449 1818 9050 7199 4834 4925 6821 6955 3166 2780 6480 6765 2833 3018 3222 2955 3080 4559 3421 4198 3323 2135 4842 5263 2553 2401 3700 2088 5470 4403 5887 4711 7477 4448 4945 6156 4643 4698 2068 8155 3370 5986 4037 3313 2162 8153 2208 2232 6516 4499 2475 4276 4135 1877 5866 1732 1994 5104 6077 5529 4055 4323 7323 4176 3847 2838 4950 3787 4812 2853 2234 4640 8115 3946 3238 2151 1873 2463 4904 6913 3956 3784 3794 7941 9061 2529 9472 3455 2845 3599 4084 4014 6384 4323 4881 4694 2077 3012 3343 1993 2135 1936 2327 4845 2942 5508 3511 5107 3909 4101 4095 asparagine 4868 4600 1951 3429 3157 4759 2203 3619 3900 4294 3198 4378 3394 3463 2828 3080 3207 3594 3427 3265 3758 2149 4952 2471 3236 2961 3246 2750 3379 1911 2912 5260 3933 3233 3628 3101 4142 3011 3944 2837 1998 4233 4122 2794 4035 3794 3466 3158 3661 2938 4926 3333 4459 3412 2666 3634 3418 2202 3580 4219 4146 3780 5542 2188 4094 1499 4577 3472 4722 1163 3610 2540 3271 4216 2558 4194 2139 3558 4884 3816 2346 2344 3704 3999 4195 3220 4479 2807 2995 1969 4067 3568 3543 2578 3029 3843 2737 1282 3699 2840 4850 2185 4582 2154 2759 4465 4163 3903 4220 4913 3847 3165 5306 4128 2836 2030 3825 2198 6155 4337 3476 3269 3633 4166 3554 4364 3826 1769 2806 3467 4202 1148 3334 3201 2175 2016 4286 3432 2049 2037 4141 1943 3555 3230 2595 3834 4919 3309 3116 3742 3563 4515 3307 3826 3553 1996 3965 3161 2873 2888 3696 4393 4081 2780 2141 2743 4947 2708 2596 3189 2848 5114 2375 2975 3811 3149 4958 2909 1957 3281 3416 1765 3765 3385 4368 4173 4962 4184 2091 1526 4211 4035 3321 2682 2466 4062 2706 5014 3745 3377 2995 4189 2948 1933 5727 2719 3443 4226 3903 2404 3353 2619 2219 4192 5104 3740 3663 2777 3324 3772 4438 4905 6056 2584 2298 3402 2600 3264 2038 5630 4426 4905 2655 2350 3848 2026 4453 4173 4016 3034 3518 2025 2389 5102 2592 3141 3890 3953 2694 3143 2796 2256 2674 3864 2553 3352 2690 2692 3758 3538 3356 3216 3581 3637 2706 3301 3177 2586 3617 2879 2259 3333 2657 3732 5096 3333 2193 2609 3998 3191 3792 4418 3677 2643 3731 3026 1824 3579 3303 5404 3819 3663 1975 3427 2882 1269 3019 3511 3103 arachidonic acid isomer 410 627 418 718 556 450 572 647 540 896 430 384 850 651 612 542 562 643 915 522 609 568 938 1026 533 476 816 773 458 718 449 335 790 812 325 522 601 520 756 622 757 821 740 497 478 881 778 490 1031 1277 699 732 767 728 577 341 408 701 747 868 768 619 857 830 973 650 601 980 1320 1001 528 501 744 668 910 656 489 727 835 745 649 745 744 646 568 1338 687 986 765 609 516 847 624 939 816 608 754 485 853 730 959 511 855 345 737 725 788 460 647 845 438 495 784 546 762 651 872 605 411 772 275 575 639 928 624 545 495 345 562 537 452 730 595 646 2007 440 534 633 754 526 564 679 642 676 513 369 704 879 736 847 838 1017 417 620 751 435 673 935 467 297 323 811 783 435 400 624 751 670 678 688 414 509 842 582 779 564 935 676 960 438 872 440 896 328 272 1153 616 1178 482 754 644 1180 722 557 656 1032 787 723 668 282 485 668 1043 440 787 669 1034 738 517 433 418 744 479 611 543 575 960 1214 864 510 1007 449 868 761 642 736 694 681 411 675 697 753 402 532 693 483 1446 798 833 568 842 544 755 494 457 996 534 630 743 462 718 699 445 538 341 399 507 476 642 755 632 685 249 493 402 479 535 948 505 492 617 273 526 449 977 852 530 637 789 639 833 695 822 816 373 607 560 528 570 708 834 431 480 587 764 929 768 624 599 aminomalonic acid 249 216 166 183 247 260 217 10657 11777 10340 407 275 9824 5992 6715 856 355 597 1342 714 1395 6560 1303 160 507 386 3621 184 642 5252 66 349 282 339 294 438 375 7801 228 8378 197 11371 237 504 374 452 160 1826 5173 143 169 642 352 942 274 705 454 234 424 387 323 10949 268 806 680 154 229 363 209 150 240 5163 6294 7053 7545 516 82 708 307 3362 228 211 164 298 361 250 6581 525 226 4250 625 1323 5346 5230 428 1131 302 141 10370 6839 301 160 307 4179 175 609 271 393 1024 735 625 233 9340 484 962 5406 385 144 74 6309 215 194 522 9980 303 277 329 209 319 160 426 126 430 329 5585 398 475 531 136 390 214 5244 209 1092 647 234 454 12239 180 9293 215 1851 1690 339 276 168 288 191 218 79 151 242 960 921 608 8507 8694 5731 212 312 182 797 7869 127 263 346 13983 277 214 175 8676 211 212 1992 87 202 1549 310 341 197 197 302 312 182 165 10926 7287 11701 13637 191 157 12893 433 125 763 216 495 340 219 90 91 640 243 321 173 267 127 5966 8042 287 12298 287 219 68 361 568 247 204 258 305 333 192 223 6499 8445 157 10451 472 318 11714 405 244 6132 415 203 9503 213 8157 190 550 98 7076 174 925 437 744 455 948 199 295 9268 487 139 173 213 1366 152 157 250 373 160 176 164 443 204 373 164 241 233 170 11151 238 264 10268 314 475 3831 219 1272 8808 206 214 350 193 736 234 10879 265 193 alanine 174198 316588 121387 309338 264653 239069 189545 238296 257129 193732 223397 233074 341958 182247 208872 259164 196410 201146 228807 239529 272929 185118 335745 169932 271156 200124 184285 143449 221632 146656 190857 314929 142166 165939 252151 153887 214461 297790 313756 146783 165110 359827 196003 178987 186957 313243 191171 205139 137120 189613 173720 244580 252407 231239 152746 240874 146453 211743 333130 345115 238745 184715 319781 132776 326822 156518 250677 226996 394365 148792 164141 141442 182746 130325 158505 144846 165976 252594 285018 231986 163312 182848 160164 261426 269460 172579 138194 250382 116935 139340 187836 286075 138897 111278 203542 227954 197798 106452 215166 143627 186001 212802 186700 36623 90672 222809 196391 272269 252120 189658 175802 165196 243008 240028 160300 205903 250347 157764 286433 238260 257733 212130 170947 169713 334597 174520 239543 152265 156443 218896 292061 168855 136568 247876 239939 236337 172804 134476 154410 99849 180917 186677 227443 160015 291220 212852 223492 179075 266617 203414 188624 226616 175476 232641 208508 280074 172636 159542 247996 176611 142371 278052 263731 244197 205674 327812 187787 186107 206425 149576 185670 254640 221403 234144 317842 226279 358508 195013 185998 202692 121008 188807 215396 264658 291939 169999 217902 377528 177477 112609 224100 221864 147183 204552 226584 312618 179915 224659 297935 290690 243317 252674 233892 202045 296264 266330 167603 170957 199117 185007 231592 267993 280817 194074 410339 136158 197852 391299 83090 309092 220871 191449 305150 155563 173814 269588 141071 222226 318706 337352 257006 268504 211708 148103 159260 159721 234387 195378 114743 274471 251754 174456 275703 298879 226243 338777 238721 198402 132886 274327 122821 206498 288891 262239 184184 183806 220492 198979 160797 231267 313470 237852 219582 331511 155281 205456 199812 133362 201095 253126 188000 292851 245831 276590 152081 177211 78559 163690 174738 199162 256981 201801 248154 164782 209427 245109 94932 218671 208142 256380 201894 158436 186459 213890 163871 206244 291773 307373 179240 adipic acid 318 399 352 391 416 575 398 495 581 517 503 347 560 554 650 812 539 475 471 330 453 533 662 442 164 200 564 477 133 495 633 432 359 197 337 613 330 610 536 206 392 549 638 422 425 424 374 483 241 352 467 201 140 827 363 578 313 344 785 566 386 529 335 546 171 327 325 479 272 391 140 469 525 502 463 145 688 710 493 533 299 374 416 489 371 391 180 433 476 474 117 490 524 383 421 449 200 491 620 234 437 381 473 202 542 513 363 98 155 195 244 427 584 582 712 506 249 230 418 476 118 605 107 542 337 500 110 588 572 745 113 483 187 469 456 216 128 486 375 398 364 435 517 543 162 316 289 447 420 538 404 404 411 240 160 553 356 405 232 561 110 332 225 583 126 494 208 572 762 141 97 467 422 697 300 548 578 101 518 350 175 440 481 472 694 490 132 565 177 500 569 605 439 345 577 521 440 254 555 562 1480 458 628 569 364 400 392 189 402 358 679 163 407 582 630 528 465 394 184 471 538 471 410 384 344 224 342 475 114 498 405 377 434 478 577 251 509 129 448 583 424 376 460 164 315 651 445 474 133 117 600 707 454 540 470 596 191 567 485 443 604 121 127 715 475 118 397 467 549 172 386 15763 838 389 400 226 130 113 452 383 676 489 230 496 109 464 421 498 166 174 369 671 532 228 183 404 572 486 414 acetophenone NIST 1385 2265 822 1792 1075 1167 706 595 373 2626 1161 1420 3139 315 472 609 1175 837 1215 729 905 402 1026 818 531 846 515 774 864 324 1024 2003 974 1590 1294 938 1294 487 1576 2953 586 3005 1269 2704 1659 2046 1206 434 3663 695 1161 447 639 986 1302 695 874 820 1978 1424 3247 492 1856 345 488 790 1838 866 1071 774 1377 350 264 2042 330 422 779 896 1257 422 574 1121 691 1177 1748 1173 3046 919 991 345 459 958 294 257 1571 987 1863 592 440 2704 799 788 1883 2950 837 396 883 451 6582 4597 6972 1644 428 1165 523 415 1969 2027 1759 280 1837 1829 2061 341 3290 2765 1586 1374 1062 729 1647 759 550 796 3152 1859 341 355 678 397 803 400 1381 2530 6931 1619 551 406 1132 358 808 762 698 754 922 1481 1629 1105 1496 377 1357 969 973 701 467 776 3777 438 867 1967 1653 382 344 1562 1311 708 565 1372 885 1065 2988 943 837 888 611 1088 438 975 819 980 2479 734 956 811 1196 347 326 6608 793 385 1024 528 1147 651 948 1030 808 522 794 641 1100 604 785 863 2257 1573 1073 438 2593 813 499 2020 1501 1075 899 617 1770 1870 492 2075 1900 1702 1135 404 385 720 552 428 811 623 4056 971 403 1742 1295 526 799 477 835 485 1003 501 1355 847 712 729 862 364 678 1524 502 364 3070 1509 846 934 1313 1368 1025 944 1408 1324 1612 1273 794 1105 866 862 819 844 568 1043 1599 252 618 1095 286 1713 509 7372 1422 1029 3941 782 973 933 530 1364 734 5-methoxytryptamine 144 282 78 600 465 543 83 131 171 147 322 462 212 107 108 110 350 378 470 151 559 116 329 119 99 348 711 880 358 95 663 859 122 646 788 877 677 85 565 135 93 211 424 489 683 511 428 98 118 302 409 105 265 603 394 263 573 150 414 371 493 161 374 108 115 130 402 117 606 118 227 312 133 115 196 111 457 337 329 137 129 135 89 425 648 660 195 516 115 107 115 467 102 92 292 295 461 110 105 121 104 98 430 94 134 87 102 102 343 518 415 643 165 487 97 84 275 156 275 108 411 1034 422 144 739 503 488 346 522 135 551 136 113 80 960 399 93 615 127 141 107 125 289 575 102 316 705 146 729 113 144 369 144 445 433 357 271 327 320 84 164 112 759 532 87 148 131 116 447 79 375 95 118 346 557 418 578 450 90 280 471 84 87 657 461 118 80 298 476 533 436 109 84 83 452 196 77 125 128 133 558 101 268 425 728 494 304 118 99 351 562 109 130 101 499 689 1168 107 98 567 141 208 766 196 108 131 252 184 79 566 377 162 460 123 130 87 163 88 95 980 403 109 634 512 281 273 318 136 400 74 445 96 807 314 210 516 559 91 93 613 145 79 790 598 130 108 150 651 333 874 327 383 500 336 104 466 122 472 99 446 146 574 313 104 341 455 97 365 401 155 550 121 355 80 907 109 111 404 79 5-hydroxymethyl-2-furoic acid NIST 113 261 121 200 212 111 172 128 231 185 201 87 165 157 197 156 314 211 133 92 242 130 129 124 738 199 386 129 126 111 203 133 207 265 219 151 158 299 335 154 180 109 110 119 103 164 339 909 128 122 185 184 396 230 216 102 217 143 265 164 115 193 88 102 221 143 289 133 127 107 95 216 189 433 115 292 172 193 113 136 203 136 116 175 243 258 189 188 138 134 174 133 206 219 333 7203 188 236 163 108 142 165 105 185 149 373 184 189 169 228 309 149 140 172 265 164 141 127 491 158 193 489 349 122 91 112 338 203 195 167 172 133 105 184 218 290 352 160 328 247 119 262 194 140 116 309 144 144 121 204 115 126 112 179 338 142 158 171 231 121 114 242 243 224 209 230 241 170 284 161 143 87 170 325 100 119 342 230 100 149 192 156 118 101 649 122 227 214 163 228 109 126 165 275 164 321 161 251 129 254 138 128 129 242 207 112 130 147 135 93 202 253 224 356 481 147 167 94 300 221 121 144 187 256 210 137 126 163 162 104 370 139 145 177 88 145 145 109 102 332 110 131 120 219 290 177 271 314 109 175 147 114 360 220 125 121 245 133 176 205 130 140 152 320 101 282 1729 131 112 350 90 232 162 119 425 184 112 178 182 212 178 193 104 401 196 130 190 139 132 160 129 148 177 285 137 109 150 446 175 4-hydroxyproline 1164 1646 1128 2917 1277 1505 1738 1727 5486 2928 1646 1712 1618 1780 1665 2372 684 1526 735 2293 2110 1701 2999 1547 1307 1150 1103 935 4008 1257 3724 3036 3037 763 864 2209 2382 1750 1404 2113 1047 3373 1030 662 942 1387 1664 2831 1499 2476 1185 1199 1598 665 2188 2100 3492 1793 1070 1363 3462 992 2874 1813 2062 1108 839 1796 1854 653 2021 2742 1330 2334 1639 1205 2352 1009 1785 1847 1488 813 2536 5544 3041 1994 3006 1385 1115 2101 1380 1780 2144 1981 1475 914 569 900 2398 1981 2244 1611 1969 1074 1083 2492 4113 1935 1981 1927 900 902 1799 1181 1532 1770 1077 1861 3348 2186 2778 2125 1506 3374 1752 1850 1182 1684 888 4704 1656 1212 1591 1767 1412 1646 2939 2214 1273 1227 1094 1788 2860 1679 1657 1743 1884 1829 1344 1514 4405 1547 2105 3323 2824 1518 2471 2127 1499 5198 2971 1395 1060 2107 833 3033 2522 2580 1480 2126 1317 2564 3991 1386 1559 1530 4508 2288 1606 2649 1350 950 2384 1926 2077 2263 3423 2133 2826 1085 7993 992 3404 1789 758 1468 2054 1950 1673 2813 1554 761 3167 1918 1862 1002 1258 1282 3965 1065 1831 4013 2236 3192 1003 2702 1943 1757 1910 1190 939 1702 2832 1739 2734 1666 927 1794 1733 2989 3136 1860 2216 2222 1464 1942 1341 1028 2624 1498 1687 1626 1046 1507 1798 1647 2216 2129 1882 1790 1494 1370 2012 701 1554 1543 1359 1457 1788 1093 2228 2956 1087 1505 1590 895 2242 577 5565 591 1146 1750 1032 1523 1865 2392 1304 1453 5066 1566 1709 1599 1408 1403 1659 2401 1290 2066 1084 3308 964 2581 1136 3371 1041 1692 1495 2351 1169 3-hydroxypropionic acid 383 525 424 392 481 784 583 486 1663 522 477 525 846 888 767 439 622 667 973 616 625 746 823 378 616 487 786 413 446 503 646 478 505 767 497 735 615 1169 694 811 482 943 540 570 367 514 955 813 523 454 378 608 616 942 544 846 600 698 861 558 569 841 556 830 551 598 640 823 578 412 560 477 656 563 656 813 549 475 473 953 490 380 603 591 737 466 442 619 410 344 527 751 676 907 644 607 508 424 639 664 689 381 555 828 526 936 403 398 906 687 799 476 1174 638 1216 483 827 652 785 555 470 733 608 536 521 486 551 522 694 639 521 699 638 578 518 1010 628 786 400 767 454 754 864 541 640 560 487 934 482 612 444 612 604 573 549 511 564 444 579 676 434 457 545 667 425 768 470 598 699 794 455 719 482 862 488 818 907 534 453 541 365 484 371 494 668 696 771 438 784 345 827 662 320 590 1039 656 435 428 733 881 647 630 700 696 649 557 625 455 407 525 678 1031 410 405 759 931 709 696 573 723 696 848 641 578 360 504 404 553 644 875 584 569 333 602 872 474 1086 901 392 1086 683 581 397 794 460 915 599 707 473 753 531 602 528 731 622 627 666 529 427 700 679 860 357 781 452 413 353 420 617 758 394 576 817 571 442 548 394 418 430 724 650 576 432 429 589 629 379 556 495 469 650 391 600 314 502 655 955 410 561 3-hydroxybutanoic acid 5211 11276 4693 2287 2790 5083 1824 7674 6636 10939 1041 3848 1843 6245 987 3211 1218 5791 22768 4918 1292 1662 3210 14730 1697 6687 1739 1903 158 2161 5230 6165 2407 295 140 31573 3539 3543 2237 1759 1389 14446 881 56675 1283 1569 16581 3317 8967 2078 2639 718 1916 8044 1341 1764 839 5699 2072 3422 6132 978 2278 48455 4035 3374 1345 4556 4829 3366 8759 4476 3293 1672 2195 6017 12316 1546 1207 10673 2200 4397 4152 1118 2400 4855 3135 3551 11961 5291 904 15921 2656 16908 7755 743 4792 2431 19744 8873 12400 1739 20999 2569 15354 8826 11059 1357 4982 4902 21934 1821 6695 1901 33577 3110 8786 21527 3443 3735 2982 4547 1811 7414 2623 3114 144 2122 1981 3335 5308 3163 6966 1969 1858 248 1190 27607 8845 10129 1782 1251 3697 9900 3411 7552 1541 5906 2329 13893 4249 3376 4282 1832 208 2048 17805 3020 2547 9640 2261 1987 24760 3060 1444 4786 3109 1621 4366 1644 180 2580 5200 7813 1471 3595 881 172 7691 4247 4160 3968 1363 1108 1819 5820 2869 1966 218 37377 11346 19042 3201 1495 1964 3330 2322 1196 1530 5167 1018 13525 8541 2271 6655 5197 46895 5260 830 5269 824 6575 1988 1991 3984 16717 15218 20237 3462 2574 7862 6262 4673 13842 6133 1919 2414 3343 4862 12564 2362 787 2995 19998 5978 3304 36744 7699 11385 1037 22975 8052 3025 210 1164 18031 2575 21380 5821 1141 77228 2775 5666 161 1981 1516 1228 4648 936 11673 4109 4353 2698 4983 7515 173 2159 7645 3162 664 3771 2418 2668 11142 3277 11423 2480 9879 1914 8430 1569 4061 6496 1629 865 10093 214 1993 1066 1577 673 1103 2106 1354 8950 4556 2897 1027 1138 3-aminoisobutyric acid 119 201 113 124 131 131 142 162 95 83 83 79 100 83 90 77 136 109 219 148 181 143 180 125 83 128 93 143 70 94 61 134 225 113 69 77 121 110 24 151 151 109 106 134 116 157 113 80 211 99 125 139 100 125 73 94 124 136 161 145 92 82 114 91 80 90 63 186 106 75 66 77 66 234 109 221 102 162 102 83 124 121 140 98 157 161 95 127 215 69 84 60 82 95 113 182 119 123 104 178 199 138 174 142 142 74 123 47 127 112 90 179 107 120 88 59 119 179 72 96 85 130 87 74 162 76 71 113 88 770 49 123 95 233 70 93 65 85 132 77 121 101 143 93 82 129 101 117 118 106 136 257 70 145 150 121 139 28 101 243 85 119 118 74 68 122 34 64 155 87 71 78 71 98 113 134 133 59 176 66 220 80 119 249 93 25 157 306 65 182 165 157 156 141 158 107 80 162 99 245 92 123 128 194 107 129 182 231 158 60 86 95 154 126 91 157 102 115 203 127 121 64 144 125 166 82 111 73 168 92 111 15 186 228 97 136 126 102 145 134 143 131 78 30 145 156 81 93 84 96 121 112 154 111 69 80 117 73 133 129 116 59 70 146 168 71 120 171 180 129 110 97 132 108 166 101 65 58 178 78 127 115 118 91 91 43 79 95 129 136 184 135 63 121 123 170 82 125 112 2-ketoisocaproic acid 2040 3855 2054 2793 4030 3451 3108 1636 6663 4791 2059 2977 2305 5000 3175 2607 1051 2270 3059 4169 2151 2909 3145 2550 2797 2241 2942 909 3008 4802 3180 4933 2470 2736 4104 3559 2362 2581 2938 4821 1913 1583 1180 5216 2590 3051 4127 3043 3330 2172 3064 3424 966 1853 1334 2525 642 4743 2456 3640 4023 2535 5479 2133 4700 1713 3026 3517 3665 3435 3346 2974 2984 3420 3880 1130 2180 1987 1713 7010 3147 3625 2569 2383 2122 3187 2718 1706 1919 2149 1746 3392 1575 3093 2730 1997 1804 906 4970 4068 2017 2934 3582 6269 1621 4424 3705 3672 5124 4014 3231 4920 9513 1158 2782 3900 4591 3336 3999 3414 3988 3216 2056 3435 2065 1770 1990 2053 2367 3158 3014 3062 2195 2255 2416 3225 1680 3158 2165 3866 1846 2260 2793 3296 2831 1502 3039 4132 3284 1062 2946 1305 1558 2063 1491 1832 2701 1904 3063 2543 1317 2784 5333 2290 3551 4238 4021 2719 1570 2702 3760 3766 2619 4655 1945 1354 1280 2237 1287 3571 3045 2409 2015 1740 2148 3270 3879 3274 1147 3233 6297 2139 1406 2595 1981 3936 3963 4539 4762 4252 2489 1417 2847 1381 2717 4028 2381 3127 2233 1890 2588 4843 2615 1317 3187 2115 2359 8901 4342 2614 1092 4208 5797 2706 2281 3156 1782 3877 630 5948 2502 2448 2054 3450 3927 2573 3988 3729 2307 3490 6697 2911 4712 2955 1854 4309 4034 6032 2308 2187 3483 1523 6181 889 2810 2090 3251 3518 1258 2673 7053 3274 2026 2468 3133 1408 1473 1676 4518 1209 2914 1924 3092 4983 2334 2619 1589 3324 1815 2088 1218 1790 4692 3110 1051 4408 1651 2487 2605 3497 2185 1555 1709 2164 2369 3081 4192 2549 1450 2-hydroxyvaleric acid 2129 1322 836 1069 1272 1589 753 2055 2466 5967 933 1015 2607 7706 8797 447 1027 1047 1241 980 897 6516 2471 796 867 1729 1868 611 975 5733 847 974 1154 867 1219 1150 924 1509 1084 7124 989 2233 920 1289 813 1145 2361 1288 5991 719 964 935 946 786 548 1083 940 1113 1142 1379 2049 2001 1122 2149 980 1338 1507 933 838 892 2574 6942 4301 5989 6732 2090 861 909 922 14020 1153 1022 816 774 1196 1113 6555 715 1016 6644 393 1540 4053 10569 1543 929 1186 872 8746 7755 497 1043 3341 1737 859 1769 906 579 1646 1651 3454 701 9500 702 2005 7628 2370 1311 1445 8382 671 1633 854 6673 785 947 948 794 587 858 1462 1164 642 805 10260 1229 451 2082 917 574 673 8141 1228 1480 721 969 1075 3717 857 1647 1380 1098 1169 1177 1529 840 1239 924 814 2013 601 772 4862 897 725 2036 6495 1857 1671 964 863 1715 7630 1157 756 167 2828 857 707 1548 3603 825 741 833 928 1105 706 1419 761 896 1988 886 1636 1035 1229 1894 6131 7089 2735 2423 1090 196 1513 747 1062 1145 1321 310 1215 657 1039 520 1013 1040 1024 3487 1090 14532 5552 1026 1645 1172 1435 1952 820 1016 798 904 1672 2188 1195 884 989 8150 8977 745 3359 858 819 2376 1506 893 4079 1245 748 3277 1043 2132 1811 649 2057 1478 1397 919 687 1411 1446 1505 687 1591 2403 578 807 1619 1130 911 1143 546 1292 759 737 982 903 1309 1036 2599 876 1176 1350 946 606 964 1025 4513 358 1463 3179 1343 1133 5266 1290 1126 846 1042 1975 1161 10137 1240 924 2-hydroxyhippuric acid 88 448 69 57 119 93 162 105 160 111 80 89 105 80 94 123 67 77 91 109 147 108 123 156 160 202 92 101 82 72 67 98 341 147 99 65 50 120 149 98 79 107 79 93 82 76 88 62 111 73 91 126 188 125 103 74 197 121 129 108 359 142 75 81 112 18 80 115 74 53 86 202 109 90 92 135 105 267 131 131 96 136 89 65 105 65 135 82 116 79 102 67 70 554 208 103 117 113 140 206 143 59 74 81 128 103 53 106 255 112 162 75 126 128 79 87 119 117 114 103 124 83 92 98 142 327 282 63 88 148 146 118 97 208 371 140 136 76 124 107 102 88 82 91 14 56 172 86 84 240 124 56 85 98 145 79 119 113 71 83 1105 95 149 258 92 116 98 81 233 88 82 43 93 143 76 63 84 149 186 55 90 141 97 79 92 96 63 81 122 79 87 150 97 90 221 80 107 101 121 158 141 102 132 125 403 121 232 91 48 63 111 71 102 102 161 114 121 100 58 122 107 152 62 244 198 60 63 59 113 69 231 84 97 77 129 95 95 263 71 78 66 148 156 95 95 131 73 84 104 63 84 90 82 153 57 79 240 170 48 97 93 102 82 159 92 210 84 128 75 138 71 155 160 62 108 163 114 86 75 55 102 175 67 86 65 120 77 84 164 94 96 759 53 82 121 68 94 76 98 2-hydroxybutanoic acid 13872 33384 7242 17776 15500 14981 17622 11360 39381 26509 10891 11540 18130 46829 11028 15813 6035 11265 21381 31107 6029 8927 22163 16987 18667 18305 13203 7188 13504 14179 8506 24104 7198 19914 16970 23657 13654 8527 18432 8816 9781 27243 9110 62753 10051 18566 43593 11781 17972 10129 14863 8359 12016 19603 7237 15717 4582 46539 15932 20028 23221 11238 23002 989 29709 13360 13335 20254 16321 20061 18394 9966 17713 8775 15090 13635 10007 5560 10328 46475 10582 19746 19112 6575 8261 15598 11916 17617 14599 9978 4132 33464 11520 15009 19896 7250 16021 6313 24960 19416 17888 17945 23478 10320 10637 16566 12316 16812 18881 20417 14759 15526 29306 7814 33712 21676 38638 19890 14655 19527 14767 22980 11052 28961 12731 3085 13936 9705 6013 6203 9767 16510 8968 10663 18006 15340 6353 29477 12176 26434 13090 8291 20949 12046 21805 15554 11049 16967 16226 12774 13830 14315 11513 9355 24442 14910 36030 16058 13690 12616 4992 6444 31389 7145 15434 17385 18456 12190 15345 7334 19711 865 15609 47400 7068 9543 1007 11416 13820 24716 6649 25854 6929 7532 9955 13230 13573 16820 10250 15579 67406 10690 10701 10152 21548 25217 18057 12890 19388 19148 9050 15518 32568 10544 15491 12109 30492 17305 9850 10613 7955 33971 17206 7603 11684 14801 17978 68996 11103 10429 16312 13639 27109 18033 9840 15245 10268 25328 9193 58060 14216 22439 11713 31428 24467 9717 34847 16780 9824 20406 44211 15502 15138 15550 8976 41030 18613 44887 13051 9731 35007 9413 40816 18595 11892 10046 18323 882 8287 20385 41753 16659 15883 20450 14357 4452 11052 13488 25936 7928 17958 8599 13121 31980 11801 20821 6714 12872 12575 17678 6732 9390 25022 10804 4769 35194 5133 14575 8491 7925 8012 9556 6693 9342 18665 31858 18750 13422 12664 2-deoxytetronic acid 387 361 204 305 304 499 427 301 474 286 239 576 387 333 320 284 405 490 266 182 336 323 603 242 279 412 628 249 446 163 295 221 361 342 292 331 291 588 278 478 376 417 209 285 201 210 425 399 239 346 323 368 415 488 273 359 237 385 492 343 448 321 324 241 235 276 215 333 269 139 257 482 228 419 197 451 387 240 278 482 318 222 318 422 356 329 299 574 321 274 256 247 268 253 467 333 289 283 359 267 286 319 348 401 309 409 277 251 414 287 422 277 281 317 557 281 336 323 585 265 345 432 255 296 317 203 308 235 258 486 280 257 275 258 281 357 349 326 253 370 155 299 490 271 279 236 222 283 303 337 266 239 358 298 602 221 314 309 322 301 459 279 417 409 223 290 308 281 420 277 199 215 215 473 299 309 479 271 277 366 235 191 229 276 322 380 413 416 306 324 325 284 263 179 321 380 206 289 270 303 245 272 288 322 362 312 317 244 187 238 312 343 232 333 489 449 356 275 639 485 307 306 278 277 300 362 220 335 568 617 353 215 279 317 312 222 331 275 288 520 387 248 274 405 339 273 534 304 297 319 330 301 374 291 308 272 283 309 262 381 331 313 175 495 262 223 243 209 216 327 181 301 244 189 362 228 315 247 356 314 322 248 282 316 346 293 205 203 250 350 289 639 248 230 314 199 332 357 321 2-deoxyerythritol 393 445 306 476 502 314 552 525 569 423 481 347 571 493 582 724 322 425 758 502 491 476 1245 333 1238 495 531 280 1067 641 9547 421 1277 891 398 7713 397 610 766 732 569 502 621 283 367 449 543 473 678 183 497 402 748 7213 568 7680 408 421 7925 460 1423 451 278 365 538 323 359 478 233 395 383 396 506 556 423 331 10298 457 315 635 578 493 333 7967 656 367 745 312 299 408 398 9865 431 373 441 585 753 332 582 638 389 349 830 785 504 516 381 633 604 453 713 327 690 360 596 516 671 370 611 401 1272 480 605 442 601 338 582 315 9974 718 694 486 485 328 404 564 413 455 485 973 212 396 598 404 445 307 664 524 281 475 598 580 8783 329 927 356 1674 370 395 308 649 258 730 8703 411 563 822 459 6837 400 910 797 528 8134 467 629 506 433 203 754 622 272 357 474 10875 241 349 367 681 377 307 678 353 395 9156 418 471 905 664 741 498 550 723 7274 1249 504 365 515 271 8301 9237 303 511 653 7020 543 6168 698 560 1113 478 424 536 9956 662 538 301 388 386 727 327 570 347 396 553 200 473 431 299 503 480 371 356 542 656 589 616 809 321 469 8138 520 822 1384 9258 8574 649 438 252 469 756 424 564 7456 495 507 464 249 587 790 285 183 7419 266 371 733 704 1140 427 716 436 638 350 409 813 497 369 348 639 816 807 589 376 236 782 331 652 399 374 2,3-dihydroxybutanoic acid NIST 162 131 197 155 114 223 177 224 190 134 125 153 194 131 166 236 119 158 187 141 153 163 212 168 162 133 187 169 70 94 65 194 277 145 83 74 130 162 133 207 112 285 126 130 119 154 86 179 94 202 164 255 89 155 198 76 133 161 159 124 235 130 163 123 185 112 148 158 128 136 117 145 178 196 123 431 74 64 138 121 185 131 173 74 55 120 160 94 100 124 257 59 136 198 187 138 196 125 171 131 113 63 91 151 86 219 180 75 110 133 150 343 109 129 106 123 217 158 114 249 64 247 72 178 181 149 117 118 161 168 92 69 191 111 83 101 256 238 130 108 166 150 198 198 135 121 131 188 198 239 168 171 118 185 168 206 147 182 63 80 85 125 203 93 134 180 158 234 122 207 57 183 231 118 176 173 315 61 99 221 152 100 129 210 80 131 155 186 137 93 222 145 167 124 137 151 76 212 191 175 81 270 119 190 223 233 112 186 178 69 63 216 184 120 131 125 99 159 142 188 239 164 184 75 141 230 148 213 99 224 128 193 157 131 196 119 156 154 117 327 125 115 151 156 122 209 53 101 79 199 82 226 158 91 67 91 111 175 120 191 220 163 71 142 101 61 127 140 105 111 119 116 123 130 221 153 82 107 118 142 238 200 143 214 76 172 175 118 116 161 82 88 103 102 138 126 266 123 101 1,5-anhydroglucitol 1217 10225 16812 29787 25789 16162 23081 6544 21141 16647 18406 6525 18459 1353 22022 6069 18119 13009 9170 14587 21531 19583 23459 24467 9154 17898 34880 9884 17548 24481 24524 19900 11883 19401 19813 24416 23488 16081 20360 16562 9351 29138 9211 296 16447 25598 22236 16900 19863 21918 21537 13072 19542 17923 16087 16304 18641 16188 22247 25208 16988 25686 21468 20605 7382 12199 16142 22475 29522 6222 13401 23605 12872 25205 10054 7300 29987 19747 12187 7126 16352 2146 24869 21033 38777 16073 23782 14939 29587 31822 19292 18775 17915 9857 19217 9350 20313 17900 29893 29417 17848 19217 26430 16535 17350 27210 17969 16780 20331 12468 1415 21401 425 17097 19118 8535 544 12194 17434 13389 21845 24324 24271 16938 23303 6159 18841 14478 13463 9628 17884 8408 21081 13243 25668 11757 12023 14959 2509 13532 12963 18650 19982 17594 9712 6234 16745 17126 10312 24469 17325 24841 10345 10969 9887 19372 7071 21917 18458 20343 4012 22122 29778 22998 5280 2130 22403 12113 21552 24719 3306 13660 21108 2233 20255 15510 16323 17320 22395 18173 20712 20002 616 11450 16539 31296 11865 23307 15760 22829 17733 18493 19416 16656 19142 14055 15130 21384 22359 20534 13090 16736 25701 15527 24570 23043 18016 17706 24323 13097 15684 6698 23538 16717 14475 14968 22921 4203 17415 28741 22133 25171 21389 23541 21564 20330 5459 9223 25845 23241 25001 29345 24952 17670 954 15689 10920 16496 31446 26756 438 10915 11193 16971 14643 21348 5615 15263 25572 14755 17831 10041 1979 3673 14623 14270 4328 24188 16931 23858 1673 23298 15530 11359 14750 11982 5757 13867 24329 16373 14675 9214 21372 1033 23520 24119 13271 30349 4223 21525 31403 16268 19182 19571 17338 17153 13290 17149 14569 19323 16877 4105 9660 22973 16220 1285 21958 20715 3862 1,2,4-benzenetriol 201 227 114 239 260 169 95 97 144 85 194 258 118 90 88 69 308 216 278 265 162 90 275 87 103 152 91 216 64 103 158 310 303 153 79 149 253 113 299 81 109 108 185 260 223 386 276 85 75 206 267 129 85 240 236 161 157 107 245 281 190 136 168 71 80 113 246 101 232 87 57 78 112 71 99 80 89 283 167 77 116 98 199 197 232 299 123 191 281 93 65 181 113 97 212 422 105 107 84 113 206 107 62 81 109 84 237 89 143 150 113 194 98 270 85 71 118 138 178 77 78 313 86 77 190 176 101 169 117 141 116 121 76 74 90 146 93 94 249 89 249 106 184 108 86 223 123 85 173 92 201 256 115 203 128 258 214 184 149 87 88 130 150 148 75 72 131 68 220 88 55 86 106 178 219 207 119 76 164 220 129 139 165 232 171 284 82 218 119 125 332 143 323 97 206 152 99 89 109 107 203 123 337 158 187 295 236 139 253 131 160 79 67 227 135 73 263 75 83 163 131 204 265 112 84 77 241 213 96 243 196 132 268 110 85 100 103 111 148 86 172 91 129 156 211 109 223 111 108 66 127 110 256 137 163 147 147 82 190 267 97 79 97 184 269 74 164 222 224 141 255 154 142 278 302 85 58 83 250 134 93 278 165 92 56 237 83 191 170 110 307 103 71 218 158 210 88 309 230 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index Quantified m/z KEGG ID PubChem ID xylose 540197 103 C00181 6027 xylitol 566893 217 C00379 6912 xanthine 702391 353 C00385 1188 valine 313224 144 C00183 6287 uridine 856953 258 C00299 6029 uric acid 730534 441 C00366 1175 urea 325479 171 C00086 1176 tyrosine 670802 218 C00082 6057 tryptophan 781209 202 C00078 6305 tocopherol alpha 1067178 237 C02477 14985 threonine 409488 117 C00188 6288 threonic acid 494205 292 C01620 439535 threitol 467314 217 n/a 169019 taurine 557250 326 C00245 1123 tagatose 630162 307 D09007 92092 sulfuric acid 283162 227 C00059 1118 sucrose 913309 271 C00089 5988 succinic acid 370518 247 C00042 1110 stearic acid 787358 117 C01530 5281 serine 391397 204 C00065 5951 salicylic acid 480445 267 C00805 338 ribonic acid 598019 292 C01685 5460677 rhamnose 575559 117 C00507 25310 quinic acid 630216 255 C00296 6508 pyruvic acid 208709 174 C00022 1060 pyrrole-2-carboxylic acid 394389 240 C05942 12473 pseudo uridine 813744 217 n/a 553482 proline 364232 142 C00148 145742 pipecolic acid 401074 156 C00408 439227 p-hydroquinone 422925 239 C00530 785 phosphoric acid 342472 314 C00009 1004 phenylalanine 537760 218 C00079 6140 pelargonic acid 399163 117 C01601 8158 paracetamol 538566 206 C06804 1983 parabanic acid NIST 464937 100 n/a 67126 palmitoleic acid 706298 129 C08362 445638 palmitic acid 713542 313 C00249 985 oxoproline 489576 156 C01879 7405 oxalic acid 259625 147 C00209 971 ornithine 619715 142 C00077 6262 oleic acid 779154 339 C00712 445639 N-methylalanine 286258 130 C02721 5288725 nicotinic acid 354525 180 C00253 938 myristic acid 634543 285 C06424 11005 methylhexadecanoic acid 750645 117 n/a 10465 methionine sulfoxide 604971 128 C02989 158980 methionine 482984 176 C00073 6137 methanolphosphate 293419 241 n/a 13130 malic acid 461034 233 C00149 222656 lyxose 540208 217 n/a 65550 lysine 662525 156 C00047 5962 linolenic acid 779785 108 C06427 5280934 linoleic acid 777102 337 C01595 5280450 levoglucosan 569799 204 n/a 2724705 leucine 345953 158 C00123 6106 lauric acid 548310 117 C02679 3893 lactobionic acid 952195 204 n/a 517381 lactic acid 215380 191 C00256 61503 kynurenine 769271 218 C00328 161166 isothreitol 464512 217 n/a 169019 isoleucine 359190 158 C00407 6306 isodeoxytetronic acid 390395 117 n/a 150929 isocitric acid 616685 245 C00311 5318532 isobutene glycol NIST 229031 144 n/a 68410 inositol myo- 729867 305 C00137 892 inositol allo- 675911 318 n/a 892 inosine 897806 217 C00294 6021 indole-3-lactate 764543 202 C02043 92904 indole-3-acetate 685195 202 C00954 802 hydroxylamine 255769 146 C00192 787 hydroquinone 422662 239 C00530 785 hydrocinnamic acid 435417 104 C05629 107 hippuric acid 616499 105 C01586 464 glycolic acid 229810 177 C00160 757 glycocyamine 508662 171 C00581 763 glycine 364262 174 C00037 750 glycerol-alpha-phosphate 591357 299 C00093 754 glycerol-3-galactoside 803554 204 C05401 656504 glycerol 344223 205 C00116 753 glyceric acid 373972 189 C00258 439194 glutamine 600452 156 C00064 5961 glucuronic acid 666401 333 C16245 65041 glucose 657634 160 C00031 5793 gluconic acid 693140 333 C00257 10690 gamma-tocopherol 1026222 223 C02483 92729 galactonic acid 692399 292 C00880 128869 fumaric acid 390988 245 C00122 444972 fructose 638202 307 n/a 107428 ethanolamine 340837 174 C00189 700 erythritol 471274 205 C00503 222285 elaidic acid 780799 339 C01712 5282749 dihydro-3-coumaric acid 583527 205 C11457 91 cystine 804143 218 C00491 67678 cysteine-glycine 715639 220 C01419 439498 cysteine 499495 220 C00097 594 creatinine 502434 115 C00791 588 conduritol-beta-epoxide 704220 318 n/a 119054 citrulline 621606 157 C00327 9750 citric acid 617288 273 C00158 311 citramalic acid 456337 247 C00815 1081 cholesterol 1079924 129 C00187 5997 capric acid 451122 117 C01571 2969 butane-2,3-diol (NIST) 204284 117 C03044 262 beta-mannosylglycerate 633028 259 C11544 5460194 beta-alanine 435375 248 C00099 239 benzylalcohol 281338 165 C00556 244 benzoic acid 338714 179 C00180 243 aspartic acid 478092 232 C00049 5960 asparagine 554276 116 C00152 6267 arachidonic acid isomer 835751 91 n/a 5312542 aminomalonic acid 455266 218 C00872 100714 alanine 236539 116 C00041 5950 adipic acid 473092 111 C06104 196 acetophenone NIST 238719 105 C07113 7410 5-methoxytryptamine 863982 174 C05659 1833 5-hydroxymethyl-2-furoic acid NIST 497599 123 n/a 80642 4-hydroxyproline 484516 140 C01015 825 3-hydroxypropionic acid 269975 177 C01013 68152 3-hydroxybutanoic acid 278929 191 C05984 11266 3-aminoisobutyric acid 452732 248 C05145 64956 2-ketoisocaproic acid 310629 200 C00233 70 2-hydroxyvaleric acid 310750 131 n/a 98009 2-hydroxyhippuric acid 725431 324 C07588 10263 2-hydroxybutanoic acid 258175 131 C05984 94318 2-deoxytetronic acid 432896 189 n/a 150929 2-deoxyerythritol 354236 117 n/a 18302 2,3-dihydroxybutanoic acid NIST 384445 292 n/a 13120900 1,5-anhydroglucitol 634023 217 C07326 64960 1,2,4-benzenetriol 521560 239 C02814 10787 METABOLITES_END #END