#METABOLOMICS WORKBENCH BPnorman_20220124_072035 DATATRACK_ID:3049 STUDY_ID:ST002082 ANALYSIS_ID:AN003399 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Predicting dying: a study of the metabolic changes and the dying process in PR:PROJECT_TITLE patients with lung cancer PR:PROJECT_SUMMARY Background: Accurately recognising that a person may be dying is central for PR:PROJECT_SUMMARY improving their experience of care. Yet recognising dying is difficult and PR:PROJECT_SUMMARY predicting dying frequently inaccurate. Methods: Serial urine samples from PR:PROJECT_SUMMARY patients (n=112) with lung cancer were analysed using high resolution untargeted PR:PROJECT_SUMMARY mass spectrometry. ANOVA and volcano plot analysis demonstrated metabolites that PR:PROJECT_SUMMARY changed in the last weeks of life. Further analysis identified potential PR:PROJECT_SUMMARY biological pathways affected. Cox lasso logistic regression was engaged to PR:PROJECT_SUMMARY develop a multivariable model predicting the probability of survival within the PR:PROJECT_SUMMARY last 30 days of life. Results: In total 124 metabolites changed. ANOVA analysis PR:PROJECT_SUMMARY identified 93 metabolites and volcano plot analysis 85 metabolites. 53 PR:PROJECT_SUMMARY metabolites changed using both approaches. Pathways altered in the last weeks PR:PROJECT_SUMMARY included those associated with decreased oral intake, muscle loss, decreased RNA PR:PROJECT_SUMMARY and protein synthesis, mitochondrial dysfunction, disrupted β-oxidation and one PR:PROJECT_SUMMARY carbon metabolism. Epinephrine and cortisol increased in the last 2 weeks and PR:PROJECT_SUMMARY week respectively. A model predicting time to death using 7 metabolites had PR:PROJECT_SUMMARY excellent accuracy (AUC= 0.86 at day 30, 0.88 at day 20 and 0.85 at day 10) and PR:PROJECT_SUMMARY enabled classification of patients at low, medium and high risk of dying on a PR:PROJECT_SUMMARY Kaplan-Meier survival curve. Conclusions: Metabolomic analysis identified PR:PROJECT_SUMMARY metabolites and their associated pathways that change in the last weeks and days PR:PROJECT_SUMMARY of life in patients with lung cancer. Prognostic tests based on the metabolites PR:PROJECT_SUMMARY identified have the potential to change clinical practice and improve the care PR:PROJECT_SUMMARY of dying patients. PR:INSTITUTE University of Liverpool Institute of Life Course Medical Sciences PR:LAST_NAME Norman PR:FIRST_NAME Brendan PR:ADDRESS William Henry Duncan Building, 6 West Derby Street, Liverpool, Merseyside, L7 PR:ADDRESS 8TX, United Kingdom PR:EMAIL bnorman@liv.ac.uk PR:PHONE (+44)151 794 9064 PR:FUNDING_SOURCE This research received a Wellcome Trust Seed award for Science (202022/Z/16/Z) PR:FUNDING_SOURCE and a North West Cancer Research award (SI2018.11) PR:DOI http://dx.doi.org/10.21228/M8TT44 PR:CONTRIBUTORS Séamus Coyle, Elinor Chapman, David Hughes, James Baker, Andrew S Davison, PR:CONTRIBUTORS Brendan P Norman, Amara Callistus Nwosu, Mark Boyd, Catriona R Mayland, Stephen PR:CONTRIBUTORS Mason, John Ellershaw, Chris Probert #STUDY ST:STUDY_TITLE Predicting dying: a study of the metabolic changes and the dying process in ST:STUDY_TITLE patients with lung cancer ST:STUDY_TYPE Observational study ST:STUDY_SUMMARY Background: Accurately recognising that a person may be dying is central for ST:STUDY_SUMMARY improving their experience of care. Yet recognising dying is difficult and ST:STUDY_SUMMARY predicting dying frequently inaccurate. Methods: Serial urine samples from ST:STUDY_SUMMARY patients (n=112) with lung cancer were analysed using high resolution untargeted ST:STUDY_SUMMARY mass spectrometry. ANOVA and volcano plot analysis demonstrated metabolites that ST:STUDY_SUMMARY changed in the last weeks of life. Further analysis identified potential ST:STUDY_SUMMARY biological pathways affected. Cox lasso logistic regression was engaged to ST:STUDY_SUMMARY develop a multivariable model predicting the probability of survival within the ST:STUDY_SUMMARY last 30 days of life. Results: In total 124 metabolites changed. ANOVA analysis ST:STUDY_SUMMARY identified 93 metabolites and volcano plot analysis 85 metabolites. 53 ST:STUDY_SUMMARY metabolites changed using both approaches. Pathways altered in the last weeks ST:STUDY_SUMMARY included those associated with decreased oral intake, muscle loss, decreased RNA ST:STUDY_SUMMARY and protein synthesis, mitochondrial dysfunction, disrupted β-oxidation and one ST:STUDY_SUMMARY carbon metabolism. Epinephrine and cortisol increased in the last 2 weeks and ST:STUDY_SUMMARY week respectively. A model predicting time to death using 7 metabolites had ST:STUDY_SUMMARY excellent accuracy (AUC= 0.86 at day 30, 0.88 at day 20 and 0.85 at day 10) and ST:STUDY_SUMMARY enabled classification of patients at low, medium and high risk of dying on a ST:STUDY_SUMMARY Kaplan-Meier survival curve. Conclusions: Metabolomic analysis identified ST:STUDY_SUMMARY metabolites and their associated pathways that change in the last weeks and days ST:STUDY_SUMMARY of life in patients with lung cancer. Prognostic tests based on the metabolites ST:STUDY_SUMMARY identified have the potential to change clinical practice and improve the care ST:STUDY_SUMMARY of dying patients. ST:INSTITUTE University of Liverpool Institute of Life Course & Medical Sciences ST:LAST_NAME Norman ST:FIRST_NAME Brendan ST:ADDRESS William Henry Duncan Building, 6 West Derby Street, Liverpool, UK. L7 8TX ST:EMAIL bnorman@liverpool.ac.uk ST:PHONE (+44)151 794 9064 ST:SUBMIT_DATE 2022-01-24 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 47-89 years SU:GENDER Male and female SU:HUMAN_INCLUSION_CRITERIA Patients with lung cancer #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - D0D1_A-09_2017-11-21 Time before death (weeks):1 Urine creatinine (mmol/L)=5.95; RAW_FILE_NAME=D0D1_A-09_2017-11-21.d SUBJECT_SAMPLE_FACTORS - D0D1_A-63_2018-03-28 Time before death (weeks):1 Urine creatinine (mmol/L)=6.09; RAW_FILE_NAME=D0D1_A-63_2018-03-28.d SUBJECT_SAMPLE_FACTORS - D0D1_C-04_2017-08-10 Time before death (weeks):1 Urine creatinine (mmol/L)=5.36; RAW_FILE_NAME=D0D1_C-04_2017-08-10.d SUBJECT_SAMPLE_FACTORS - D0D1_MC-05_2017-08-16 Time before death (weeks):1 Urine creatinine (mmol/L)=7.78; RAW_FILE_NAME=D0D1_MC-05_2017-08-16.d SUBJECT_SAMPLE_FACTORS - D0D1_R-26_2018-04-20 Time before death (weeks):1 Urine creatinine (mmol/L)=14.93; RAW_FILE_NAME=D0D1_R-26_2018-04-20.d SUBJECT_SAMPLE_FACTORS - D0D1_R-29_2018-06-01 Time before death (weeks):1 Urine creatinine (mmol/L)=14.08; RAW_FILE_NAME=D0D1_R-29_2018-06-01.d SUBJECT_SAMPLE_FACTORS - D0D1_R-32_2018-07-13 Time before death (weeks):1 Urine creatinine (mmol/L)=3.52; RAW_FILE_NAME=D0D1_R-32_2018-07-13.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-001_2018-03-14 Time before death (weeks):1 Urine creatinine (mmol/L)=10.85; RAW_FILE_NAME=D0D1_WHI-001_2018-03-14.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-003_2018-04-16 Time before death (weeks):1 Urine creatinine (mmol/L)=15.56; RAW_FILE_NAME=D0D1_WHI-003_2018-04-16.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-011-106_2018-07-17 Time before death (weeks):1 Urine creatinine (mmol/L)=16.42; RAW_FILE_NAME=D0D1_WHI-011-106_2018-07-17.d SUBJECT_SAMPLE_FACTORS - D0D1_WHI-102_2018-04-25 Time before death (weeks):1 Urine creatinine (mmol/L)=9.54; RAW_FILE_NAME=D0D1_WHI-102_2018-04-25.d SUBJECT_SAMPLE_FACTORS - D2D16_A-57_2017-08-22 Time before death (weeks):1 Urine creatinine (mmol/L)=6.69; RAW_FILE_NAME=D2D16_A-57_2017-08-22.d SUBJECT_SAMPLE_FACTORS - D2D16_MC-11_2018-07-01 Time before death (weeks):1 Urine creatinine (mmol/L)=7.21; RAW_FILE_NAME=D2D16_MC-11_2018-07-01.d SUBJECT_SAMPLE_FACTORS - D2D16_R-10_2016-09-15 Time before death (weeks):1 Urine creatinine (mmol/L)=ND; RAW_FILE_NAME=D2D16_R-10_2016-09-15.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-015-107_2018-07-20 Time before death (weeks):1 Urine creatinine (mmol/L)=10.08; RAW_FILE_NAME=D2D16_WHI-015-107_2018-07-20.d SUBJECT_SAMPLE_FACTORS - G1_PS-A-05_03-03-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=10.3; RAW_FILE_NAME=G1_PS-A-05_03-03-2017.d SUBJECT_SAMPLE_FACTORS - G1_PS-A-51_21-11-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=5.8; RAW_FILE_NAME=G1_PS-A-51_21-11-2017.d SUBJECT_SAMPLE_FACTORS - G1_PS-MC-06_14-08-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=3; RAW_FILE_NAME=G1_PS-MC-06_14-08-2017.d SUBJECT_SAMPLE_FACTORS - G1_PS-R-02_11-10-2016 Time before death (weeks):1 Urine creatinine (mmol/L)=5.8; RAW_FILE_NAME=G1_PS-R-02_11-10-2016.d SUBJECT_SAMPLE_FACTORS - G1_PS-WHI-007_11-04-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=6.4; RAW_FILE_NAME=G1_PS-WHI-007_11-04-2018.d SUBJECT_SAMPLE_FACTORS - G1_PS-WHI-020_15-06-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=8.7; RAW_FILE_NAME=G1_PS-WHI-020_15-06-2018.d SUBJECT_SAMPLE_FACTORS - G2_PS-MC-02_03-07-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=5.1; RAW_FILE_NAME=G2_PS-MC-02_03-07-2017.d SUBJECT_SAMPLE_FACTORS - G2_PS-R-09_01-11-2016 Time before death (weeks):1 Urine creatinine (mmol/L)=4.5; RAW_FILE_NAME=G2_PS-R-09_01-11-2016.d SUBJECT_SAMPLE_FACTORS - G2_PS-R-21_15-11-2017 Time before death (weeks):1 Urine creatinine (mmol/L)=1.5; RAW_FILE_NAME=G2_PS-R-21_15-11-2017.d SUBJECT_SAMPLE_FACTORS - G2_PS-WHI-027_04-09-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=6.9; RAW_FILE_NAME=G2_PS-WHI-027_04-09-2018.d SUBJECT_SAMPLE_FACTORS - G3_PS-WHI-101_11-04-2018 Time before death (weeks):1 Urine creatinine (mmol/L)=16.3; RAW_FILE_NAME=G3_PS-WHI-101_11-04-2018.d SUBJECT_SAMPLE_FACTORS - A-01_2017-02-09 Time before death (weeks):12+ Urine creatinine (mmol/L)=2.68; RAW_FILE_NAME=A-01_2017-02-09.d SUBJECT_SAMPLE_FACTORS - A-11_2018-05-17 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.75; RAW_FILE_NAME=A-11_2018-05-17.d SUBJECT_SAMPLE_FACTORS - A-12_2017-03-16 Time before death (weeks):12+ Urine creatinine (mmol/L)=23.07; RAW_FILE_NAME=A-12_2017-03-16.d SUBJECT_SAMPLE_FACTORS - A-15_2018-06-06 Time before death (weeks):12+ Urine creatinine (mmol/L)=14.76; RAW_FILE_NAME=A-15_2018-06-06.d SUBJECT_SAMPLE_FACTORS - A-20_2017-11-21 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.62; RAW_FILE_NAME=A-20_2017-11-21.d SUBJECT_SAMPLE_FACTORS - A-21_2018-01-24 Time before death (weeks):12+ Urine creatinine (mmol/L)=29.65; RAW_FILE_NAME=A-21_2018-01-24.d SUBJECT_SAMPLE_FACTORS - A-24_2017-07-06 Time before death (weeks):12+ Urine creatinine (mmol/L)=16.64; RAW_FILE_NAME=A-24_2017-07-06.d SUBJECT_SAMPLE_FACTORS - A-33_2017-12-12 Time before death (weeks):12+ Urine creatinine (mmol/L)=15.89; RAW_FILE_NAME=A-33_2017-12-12.d SUBJECT_SAMPLE_FACTORS - A-40_2018-07-24 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.33; RAW_FILE_NAME=A-40_2018-07-24.d SUBJECT_SAMPLE_FACTORS - A-47_2017-08-02 Time before death (weeks):12+ Urine creatinine (mmol/L)=7.63; RAW_FILE_NAME=A-47_2017-08-02.d SUBJECT_SAMPLE_FACTORS - A-48_2017-06-29 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.39; RAW_FILE_NAME=A-48_2017-06-29.d SUBJECT_SAMPLE_FACTORS - A-49_2017-06-28 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.92; RAW_FILE_NAME=A-49_2017-06-28.d SUBJECT_SAMPLE_FACTORS - A-61_2018-03-15 Time before death (weeks):12+ Urine creatinine (mmol/L)=138; RAW_FILE_NAME=A-61_2018-03-15.d SUBJECT_SAMPLE_FACTORS - C-02_2017-03-16 Time before death (weeks):12+ Urine creatinine (mmol/L)=19.97; RAW_FILE_NAME=C-02_2017-03-16.d SUBJECT_SAMPLE_FACTORS - C-03_2017-03-20 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.42; RAW_FILE_NAME=C-03_2017-03-20.d SUBJECT_SAMPLE_FACTORS - C-05_2017-04-20 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.23; RAW_FILE_NAME=C-05_2017-04-20.d SUBJECT_SAMPLE_FACTORS - C-06_2017-04-26 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.94; RAW_FILE_NAME=C-06_2017-04-26.d SUBJECT_SAMPLE_FACTORS - C-09_2017-05-10 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.91; RAW_FILE_NAME=C-09_2017-05-10.d SUBJECT_SAMPLE_FACTORS - C-13_2017-06-06 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.47; RAW_FILE_NAME=C-13_2017-06-06.d SUBJECT_SAMPLE_FACTORS - C-18_2017-06-21 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.71; RAW_FILE_NAME=C-18_2017-06-21.d SUBJECT_SAMPLE_FACTORS - D17_A-65_2018-07-07 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.49; RAW_FILE_NAME=D17_A-65_2018-07-07.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-06_20-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=12.9; RAW_FILE_NAME=LCC_PS-A-06_20-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-07_02-03-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=1.3; RAW_FILE_NAME=LCC_PS-A-07_02-03-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-08_26-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=21.6; RAW_FILE_NAME=LCC_PS-A-08_26-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-13_06-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.8; RAW_FILE_NAME=LCC_PS-A-13_06-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-19_06-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=18.6; RAW_FILE_NAME=LCC_PS-A-19_06-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-32_06-07-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.9; RAW_FILE_NAME=LCC_PS-A-32_06-07-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-A-50_29-06-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.8; RAW_FILE_NAME=LCC_PS-A-50_29-06-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-C-01_09-03-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.4; RAW_FILE_NAME=LCC_PS-C-01_09-03-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-C-12_01-06-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=7.6; RAW_FILE_NAME=LCC_PS-C-12_01-06-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-MC-09_19-10-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=3.9; RAW_FILE_NAME=LCC_PS-MC-09_19-10-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-MC-14_27-02-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=11.6; RAW_FILE_NAME=LCC_PS-MC-14_27-02-2018.d SUBJECT_SAMPLE_FACTORS - LCC_PS-R-15_31-03-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.5; RAW_FILE_NAME=LCC_PS-R-15_31-03-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-R-22_08-12-2017 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.3; RAW_FILE_NAME=LCC_PS-R-22_08-12-2017.d SUBJECT_SAMPLE_FACTORS - LCC_PS-R-24_11-01-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=10.6; RAW_FILE_NAME=LCC_PS-R-24_11-01-2018.d SUBJECT_SAMPLE_FACTORS - LCC_PS-WHI-002_14-03-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=6.4; RAW_FILE_NAME=LCC_PS-WHI-002_14-03-2018.d SUBJECT_SAMPLE_FACTORS - LCC_PS-WHI-008_16-04-2018 Time before death (weeks):12+ Urine creatinine (mmol/L)=7.7; RAW_FILE_NAME=LCC_PS-WHI-008_16-04-2018.d SUBJECT_SAMPLE_FACTORS - MC-15_2018-09-19 Time before death (weeks):12+ Urine creatinine (mmol/L)=11.93; RAW_FILE_NAME=MC-15_2018-09-19.d SUBJECT_SAMPLE_FACTORS - MC-16_2018-09-12 Time before death (weeks):12+ Urine creatinine (mmol/L)=4.27; RAW_FILE_NAME=MC-16_2018-09-12.d SUBJECT_SAMPLE_FACTORS - MC-17_2018-09-12 Time before death (weeks):12+ Urine creatinine (mmol/L)=8.2; RAW_FILE_NAME=MC-17_2018-09-12.d SUBJECT_SAMPLE_FACTORS - R-30_2018-06-07 Time before death (weeks):12+ Urine creatinine (mmol/L)=13.07; RAW_FILE_NAME=R-30_2018-06-07.d SUBJECT_SAMPLE_FACTORS - WHI-016_2018-08-30 Time before death (weeks):12+ Urine creatinine (mmol/L)=5.5; RAW_FILE_NAME=WHI-016_2018-08-30.d SUBJECT_SAMPLE_FACTORS - D2D16_A-18_2017-04-04 Time before death (weeks):2 Urine creatinine (mmol/L)=7.48; RAW_FILE_NAME=D2D16_A-18_2017-04-04.d SUBJECT_SAMPLE_FACTORS - D2D16_A-56_2017-08-23 Time before death (weeks):2 Urine creatinine (mmol/L)=3.82; RAW_FILE_NAME=D2D16_A-56_2017-08-23.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-014_2018-06-05 Time before death (weeks):2 Urine creatinine (mmol/L)=10.27; RAW_FILE_NAME=D2D16_WHI-014_2018-06-05.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-023_2018-08-29 Time before death (weeks):2 Urine creatinine (mmol/L)=6.03; RAW_FILE_NAME=D2D16_WHI-023_2018-08-29.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-026_2018-07-19 Time before death (weeks):2 Urine creatinine (mmol/L)=6.04; RAW_FILE_NAME=D2D16_WHI-026_2018-07-19.d SUBJECT_SAMPLE_FACTORS - G3_PS-A-14_26-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=3.8; RAW_FILE_NAME=G3_PS-A-14_26-06-2017.d SUBJECT_SAMPLE_FACTORS - G3_PS-C-17_20-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=2.5; RAW_FILE_NAME=G3_PS-C-17_20-06-2017.d SUBJECT_SAMPLE_FACTORS - G3_PS-R-12_02-03-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=2.3; RAW_FILE_NAME=G3_PS-R-12_02-03-2017.d SUBJECT_SAMPLE_FACTORS - G4_PS-A-62_15-02-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=5.2; RAW_FILE_NAME=G4_PS-A-62_15-02-2018.d SUBJECT_SAMPLE_FACTORS - G4_PS-MC-10_06-03-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=9; RAW_FILE_NAME=G4_PS-MC-10_06-03-2018.d SUBJECT_SAMPLE_FACTORS - G4_PS-R-05_17-08-2016 Time before death (weeks):2 Urine creatinine (mmol/L)=4.6; RAW_FILE_NAME=G4_PS-R-05_17-08-2016.d SUBJECT_SAMPLE_FACTORS - G4_PS-R-17_14-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=8.9; RAW_FILE_NAME=G4_PS-R-17_14-06-2017.d SUBJECT_SAMPLE_FACTORS - G4_PS-WHI-012_01-05-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=7; RAW_FILE_NAME=G4_PS-WHI-012_01-05-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-MC-07_14-08-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=1.4; RAW_FILE_NAME=G5_PS-MC-07_14-08-2017.d SUBJECT_SAMPLE_FACTORS - G5_PS-MC-13_27-02-2018 Time before death (weeks):2 Urine creatinine (mmol/L)=7; RAW_FILE_NAME=G5_PS-MC-13_27-02-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-R-01_15-06-2016 Time before death (weeks):2 Urine creatinine (mmol/L)=1.5; RAW_FILE_NAME=G5_PS-R-01_15-06-2016.d SUBJECT_SAMPLE_FACTORS - Group 4_PS-R-18_20-06-2017 Time before death (weeks):2 Urine creatinine (mmol/L)=9.7; RAW_FILE_NAME=Group 4_PS-R-18_20-06-2017.d SUBJECT_SAMPLE_FACTORS - R-13_2018-04-23 Time before death (weeks):2 Urine creatinine (mmol/L)=10.71; RAW_FILE_NAME=R-13_2018-04-23.d SUBJECT_SAMPLE_FACTORS - D17_A-64_2018-07-06 Time before death (weeks):3 Urine creatinine (mmol/L)=6.37; RAW_FILE_NAME=D17_A-64_2018-07-06.d SUBJECT_SAMPLE_FACTORS - D17_R-20_2017-11-22 Time before death (weeks):3 Urine creatinine (mmol/L)=11.61; RAW_FILE_NAME=D17_R-20_2017-11-22.d SUBJECT_SAMPLE_FACTORS - D17_R-23_2017-12-13 Time before death (weeks):3 Urine creatinine (mmol/L)=5.6; RAW_FILE_NAME=D17_R-23_2017-12-13.d SUBJECT_SAMPLE_FACTORS - D17_WHI-004_2018-03-16 Time before death (weeks):3 Urine creatinine (mmol/L)=8.82; RAW_FILE_NAME=D17_WHI-004_2018-03-16.d SUBJECT_SAMPLE_FACTORS - D2D16_WHI-010_2018-04-23 Time before death (weeks):3 Urine creatinine (mmol/L)=11.72; RAW_FILE_NAME=D2D16_WHI-010_2018-04-23.d SUBJECT_SAMPLE_FACTORS - G5_PS-A-67_25-06-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=9.9; RAW_FILE_NAME=G5_PS-A-67_25-06-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-R-28_20-06-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=8.6; RAW_FILE_NAME=G5_PS-R-28_20-06-2018.d SUBJECT_SAMPLE_FACTORS - G5_PS-WHI-103_30-04-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=1.2; RAW_FILE_NAME=G5_PS-WHI-103_30-04-2018.d SUBJECT_SAMPLE_FACTORS - G6_PS-R-25_11-01-2018 Time before death (weeks):3 Urine creatinine (mmol/L)=5.9; RAW_FILE_NAME=G6_PS-R-25_11-01-2018.d SUBJECT_SAMPLE_FACTORS - MC-01_2017-07-05 Time before death (weeks):3 Urine creatinine (mmol/L)=5.08; RAW_FILE_NAME=MC-01_2017-07-05.d SUBJECT_SAMPLE_FACTORS - MC-08_2017-09-14 Time before death (weeks):3 Urine creatinine (mmol/L)=5.23; RAW_FILE_NAME=MC-08_2017-09-14.d SUBJECT_SAMPLE_FACTORS - R-11_2016-11-04 Time before death (weeks):3 Urine creatinine (mmol/L)=2.68; RAW_FILE_NAME=R-11_2016-11-04.d SUBJECT_SAMPLE_FACTORS - MC-04_2017-07-25 Time before death (weeks):4 Urine creatinine (mmol/L)=3.13; RAW_FILE_NAME=MC-04_2017-07-25.d SUBJECT_SAMPLE_FACTORS - A-02_2017-03-10 Time before death (weeks):4+ Urine creatinine (mmol/L)=2.04; RAW_FILE_NAME=A-02_2017-03-10.d SUBJECT_SAMPLE_FACTORS - A-16_2018-06-21 Time before death (weeks):4+ Urine creatinine (mmol/L)=9.46; RAW_FILE_NAME=A-16_2018-06-21.d SUBJECT_SAMPLE_FACTORS - A-17_2017-04-05 Time before death (weeks):4+ Urine creatinine (mmol/L)=12.77; RAW_FILE_NAME=A-17_2017-04-05.d SUBJECT_SAMPLE_FACTORS - A-43_2017-11-01 Time before death (weeks):4+ Urine creatinine (mmol/L)=1.47; RAW_FILE_NAME=A-43_2017-11-01.d SUBJECT_SAMPLE_FACTORS - A-58_2017-08-30 Time before death (weeks):4+ Urine creatinine (mmol/L)=5.25; RAW_FILE_NAME=A-58_2017-08-30.d SUBJECT_SAMPLE_FACTORS - R-06_2016-10-18 Time before death (weeks):4+ Urine creatinine (mmol/L)=2.12; RAW_FILE_NAME=R-06_2016-10-18.d SUBJECT_SAMPLE_FACTORS - R-14_2017-03-17 Time before death (weeks):4+ Urine creatinine (mmol/L)=4.27; RAW_FILE_NAME=R-14_2017-03-17.d SUBJECT_SAMPLE_FACTORS - R-16_2017-05-02 Time before death (weeks):4+ Urine creatinine (mmol/L)=5.05; RAW_FILE_NAME=R-16_2017-05-02.d SUBJECT_SAMPLE_FACTORS - R-19_2018-11-14 Time before death (weeks):4+ Urine creatinine (mmol/L)=7.38; RAW_FILE_NAME=R-19_2018-11-14.d SUBJECT_SAMPLE_FACTORS - R-31_2018-07-25 Time before death (weeks):4+ Urine creatinine (mmol/L)=9.99; RAW_FILE_NAME=R-31_2018-07-25.d SUBJECT_SAMPLE_FACTORS - WHI-006_2018-04-05 Time before death (weeks):4+ Urine creatinine (mmol/L)=3.14; RAW_FILE_NAME=WHI-006_2018-04-05.d SUBJECT_SAMPLE_FACTORS - WHI-100_2018-07-20 Time before death (weeks):4+ Urine creatinine (mmol/L)=2.23; RAW_FILE_NAME=WHI-100_2018-07-20.d SUBJECT_SAMPLE_FACTORS - WHI-105_2018-05-22 Time before death (weeks):4+ Urine creatinine (mmol/L)=6.6; RAW_FILE_NAME=WHI-105_2018-05-22.d #COLLECTION CO:COLLECTION_SUMMARY The study was conducted at six sites (hospitals and hospices) in the North West CO:COLLECTION_SUMMARY of England (UK) from June 2016 to September 2018. Patients with lung cancer were CO:COLLECTION_SUMMARY recruited prospectively and multiple urine samples were collected up to three CO:COLLECTION_SUMMARY times a week while an inpatient. Ethical approval was provided by North Wales CO:COLLECTION_SUMMARY (West) Research Ethics Committee (REC reference 15/WA/0464). Research team CO:COLLECTION_SUMMARY members collected 20 mL of urine from participants in a universal container. CO:COLLECTION_SUMMARY For those participants with a urinary catheter, the urine was collected using a CO:COLLECTION_SUMMARY needle and syringe from the catheter port. The samples were stored on site in a CO:COLLECTION_SUMMARY locked freezer at −20°C. An anonymised record of the medication administered CO:COLLECTION_SUMMARY was collected. Collection protocol described previously by Coyle et al. (BMJ CO:COLLECTION_SUMMARY Open. 2016; 6(11) e011763. doi: 10.1136/bmjopen-2016-011763). CO:SAMPLE_TYPE Urine CO:VOLUMEORAMOUNT_COLLECTED 20 mL CO:STORAGE_CONDITIONS -20℃ #TREATMENT TR:TREATMENT_SUMMARY Clinical observational study. Serial urine samples collected from patients with TR:TREATMENT_SUMMARY lung cancer in a palliative care setting at varying time points up until death; TR:TREATMENT_SUMMARY >12 weeks - 1 week before death (see 'study design' information). Although TR:TREATMENT_SUMMARY multiple samples were collected from patients, only the final sample was TR:TREATMENT_SUMMARY included in the analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Individual patient samples were thawed at room temperature, vortexed and SP:SAMPLEPREP_SUMMARY separated into four replicate aliquots in individual 96-well plates (Waters, UK) SP:SAMPLEPREP_SUMMARY which were stored at -80 °C until analysis by one of four different methods; SP:SAMPLEPREP_SUMMARY two different chromatography conditions in negative and positive ionisation SP:SAMPLEPREP_SUMMARY polarity. Pooled quality control samples were created following the protocol SP:SAMPLEPREP_SUMMARY described by Norman et al. (Clin Chem. 2019;65(4):530-39. doi: SP:SAMPLEPREP_SUMMARY 10.1373/clinchem.2018.295345). For each sample group (time before death), a SP:SAMPLEPREP_SUMMARY separate representative pool was created by pooling an equal volume of each SP:SAMPLEPREP_SUMMARY individual urine sample for quality control purposes. An overall pool was also SP:SAMPLEPREP_SUMMARY created by pooling equal proportions of the above group pools. Analysis of SP:SAMPLEPREP_SUMMARY individual and pooled samples was performed following dilution of 1:3 SP:SAMPLEPREP_SUMMARY urine:deionised water (DIRECT-Q 3UV Millipore water purification system) as SP:SAMPLEPREP_SUMMARY previously described by Norman et al. (2019). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC method 2: used a BEH amide column (3x150 mm, 1.7 µm, Waters, UK) maintained CH:CHROMATOGRAPHY_SUMMARY at 40 °C with flow rate at 0.6 mL/min. Mobile phases were (A) water and (B) CH:CHROMATOGRAPHY_SUMMARY acetonitrile both containing 0.1 % formic acid. The elution gradient started at CH:CHROMATOGRAPHY_SUMMARY 99 % B, decreasing linearly to 30 % from 1 to 12 min, held at 30 % B until 12.6 CH:CHROMATOGRAPHY_SUMMARY min, returning to 99 % B for 3.4 min. Sample injection volume was 1 µL for both CH:CHROMATOGRAPHY_SUMMARY LC methods. CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME Waters BEH Amide (150 x 3.0mm,1.7um) CH:COLUMN_TEMPERATURE 40 CH:FLOW_GRADIENT The elution gradient started at 99% B, decreasing linearly to 30% from 1 to 12 CH:FLOW_GRADIENT min, held at 30% B until 12.6 min, returning to 99% B for 3.4 min. CH:FLOW_RATE 0.6 mL/min CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS Mass spectrometry conditions: The mass spectrometer was tuned and calibrated MS:MS_COMMENTS according to protocols recommended by the manufacturer. Acquisition was MS:MS_COMMENTS performed in 2 GHz mode and mass range 50-1700. The capillary voltage was 4000 V MS:MS_COMMENTS and fragmentor voltage 380 V. The desolvation gas temperature was 200 °C with MS:MS_COMMENTS flow rate at 15 L/min. The sheath gas temperature was 300 °C with flow rate at MS:MS_COMMENTS 12 L/min. The nebulizer pressure was 40 psig and nozzle voltage 1000 V (± for MS:MS_COMMENTS positive and negative ionisation modes). The acquisition rate was 3 MS:MS_COMMENTS spectra/second. The reference mass solution was continually infused at a flow MS:MS_COMMENTS rate of 0.5 mL/min by a separate isocratic pump for constant mass correction. MS:MS_COMMENTS Repeat injections of each pooled sample were interspersed throughout the MS:MS_COMMENTS analytical sequence, as per the quality control procedure described by Norman et MS:MS_COMMENTS al. (Clin Chem. 2019;65(4):530-539. doi: 10.1373/clinchem.2018.295345). The MS:MS_COMMENTS individual sample analysis order was randomised computationally. Data MS:MS_COMMENTS Pre-processing and Quality Control: All data were acquired using the MassHunter MS:MS_COMMENTS suite (Agilent build 6.0) with quality checks being performed by Qualitative MS:MS_COMMENTS Analysis (build 07.00). Mass accuracy was checked using extracted ion MS:MS_COMMENTS chromatograms of reference masses: the resulting accuracy was ±5 ppm during the MS:MS_COMMENTS run. Additionally, chromatographic reproducibility was checked by overlaying MS:MS_COMMENTS binary pump pressure curves across each analytical sequence. Data was filtered MS:MS_COMMENTS based upon the pooled QC samples, with compounds being retained if observed in MS:MS_COMMENTS 100 % of replicate injections for at least 1 pool and with peak area coefficient MS:MS_COMMENTS of variation (CV) <25 % across all replicate injections for each pool. A MS:MS_COMMENTS comprehensive semi-targeted approach was employed to assign the identity of MS:MS_COMMENTS urinary metabolites using an in-house compound library that included a broad MS:MS_COMMENTS range of metabolites involved in intermediary metabolism. Targeted feature MS:MS_COMMENTS extraction was performed on each dataset based on matching of metabolite MS:MS_COMMENTS chemical features against an accurate mass and retention time (AMRT) database MS:MS_COMMENTS previously generated from analysis of the IROA Technology MS metabolite library MS:MS_COMMENTS of tandards by each LC method described above, combined with the same QTOF MS:MS_COMMENTS analytical parameters used in this study (databases publicly available: MS:MS_COMMENTS https://doi.org/10.6084/m9.figshare.c.4378235.v2). In addition to accurate mass MS:MS_COMMENTS and retention time, MS/MS (data-dependent, employed for 'hit' metabolites) was MS:MS_COMMENTS also used in the confirmation of metabolite identity (i.e. level 1 MS:MS_COMMENTS identification) as per Sumner et al. Feature extraction was performed in MS:MS_COMMENTS MassHunter Profinder (build 10.0); accurate mass window of 10 ppm and retention MS:MS_COMMENTS time window of 0.3 min against the respective AMRT database. Data were exported MS:MS_COMMENTS in the format of a csv file for statistical analysis. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw peak area MS_METABOLITE_DATA_START Samples D0D1_A-09_2017-11-21 D0D1_A-63_2018-03-28 D0D1_C-04_2017-08-10 D0D1_MC-05_2017-08-16 D0D1_R-26_2018-04-20 D0D1_R-29_2018-06-01 D0D1_R-32_2018-07-13 D0D1_WHI-001_2018-03-14 D0D1_WHI-003_2018-04-16 D0D1_WHI-011-106_2018-07-17 D0D1_WHI-102_2018-04-25 D2D16_A-57_2017-08-22 D2D16_MC-11_2018-07-01 D2D16_R-10_2016-09-15 D2D16_WHI-015-107_2018-07-20 G1_PS-A-05_03-03-2017 G1_PS-A-51_21-11-2017 G1_PS-MC-06_14-08-2017 G1_PS-R-02_11-10-2016 G1_PS-WHI-007_11-04-2018 G1_PS-WHI-020_15-06-2018 G2_PS-MC-02_03-07-2017 G2_PS-R-09_01-11-2016 G2_PS-R-21_15-11-2017 G2_PS-WHI-027_04-09-2018 G3_PS-WHI-101_11-04-2018 A-01_2017-02-09 A-11_2018-05-17 A-12_2017-03-16 A-15_2018-06-06 A-20_2017-11-21 A-21_2018-01-24 A-24_2017-07-06 A-33_2017-12-12 A-40_2018-07-24 A-47_2017-08-02 A-48_2017-06-29 A-49_2017-06-28 A-61_2018-03-15 C-02_2017-03-16 C-03_2017-03-20 C-05_2017-04-20 C-06_2017-04-26 C-09_2017-05-10 C-13_2017-06-06 C-18_2017-06-21 D17_A-65_2018-07-07 LCC_PS-A-06_20-07-2017 LCC_PS-A-07_02-03-2017 LCC_PS-A-08_26-07-2017 LCC_PS-A-13_06-07-2017 LCC_PS-A-19_06-07-2017 LCC_PS-A-32_06-07-2017 LCC_PS-A-50_29-06-2017 LCC_PS-C-01_09-03-2017 LCC_PS-C-12_01-06-2017 LCC_PS-MC-09_19-10-2017 LCC_PS-MC-14_27-02-2018 LCC_PS-R-15_31-03-2017 LCC_PS-R-22_08-12-2017 LCC_PS-R-24_11-01-2018 LCC_PS-WHI-002_14-03-2018 LCC_PS-WHI-008_16-04-2018 MC-15_2018-09-19 MC-16_2018-09-12 MC-17_2018-09-12 R-30_2018-06-07 WHI-016_2018-08-30 D2D16_A-18_2017-04-04 D2D16_A-56_2017-08-23 D2D16_WHI-014_2018-06-05 D2D16_WHI-023_2018-08-29 D2D16_WHI-026_2018-07-19 G3_PS-A-14_26-06-2017 G3_PS-C-17_20-06-2017 G3_PS-R-12_02-03-2017 G4_PS-A-62_15-02-2018 G4_PS-MC-10_06-03-2018 G4_PS-R-05_17-08-2016 G4_PS-R-17_14-06-2017 G4_PS-WHI-012_01-05-2018 G5_PS-MC-07_14-08-2017 G5_PS-MC-13_27-02-2018 G5_PS-R-01_15-06-2016 Group 4_PS-R-18_20-06-2017 R-13_2018-04-23 D17_A-64_2018-07-06 D17_R-20_2017-11-22 D17_R-23_2017-12-13 D17_WHI-004_2018-03-16 D2D16_WHI-010_2018-04-23 G5_PS-A-67_25-06-2018 G5_PS-R-28_20-06-2018 G5_PS-WHI-103_30-04-2018 G6_PS-R-25_11-01-2018 MC-01_2017-07-05 MC-08_2017-09-14 R-11_2016-11-04 MC-04_2017-07-25 A-02_2017-03-10 A-16_2018-06-21 A-17_2017-04-05 A-43_2017-11-01 A-58_2017-08-30 R-06_2016-10-18 R-14_2017-03-17 R-16_2017-05-02 R-19_2018-11-14 R-31_2018-07-25 WHI-006_2018-04-05 WHI-100_2018-07-20 WHI-105_2018-05-22 Factors Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):1 Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):12+ Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):2 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):3 Time before death (weeks):4 Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ Time before death (weeks):4+ 1_2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE 182.8438 917.0171 75.0847 299.3971 66.3218 619.4753 1643.8125 86.2227 504.7196 501.8033 8324.6964 3574.0385 204.4956 355.0054 647.5772 2968.8849 2451.5852 6946.4563 2825.8389 724.6995 279.6006 293.6999 73.7662 1419.1784 2737.8910 598.6757 819.3637 1849.9509 8010.3880 4815.3417 2945.0930 1366.3339 2294.2565 580.5710 384.1446 6186.9917 572.3441 2540.9156 1038.2409 7646.8607 803.7956 229.2530 400.9322 6601.1355 113.5235 4414.0790 87.2218 1077.2245 726.8227 1367.2810 1347.1857 16298.1667 2985.1078 7914.3383 764.8696 5753.0598 904.7823 3478.8237 423.8457 5552.3101 2348.3879 227.8793 965.5108 5797.7848 336.1127 10568.6860 279.1787 71.8897 559.5002 7771.6826 38.6088 1093.0725 1338.3944 1982.9085 10648.7699 332.9886 1557.9230 3359.7081 289.6980 10625.8022 433.7751 10086.1518 238.9659 487.4371 186.5108 2730.0638 666.8558 394.4275 325.7430 1493.4553 785.5717 370.8430 153.7638 12755.6834 2488.5074 82.5887 438.9951 8224.1177 3044.4224 11227.9761 6367.7911 202.1619 4536.9456 4257.1302 3148.9342 565.9873 405.6426 1-Methyladenosine 1768696.1720 767630.8106 6668894.4930 3315136.8870 5535294.4570 14887092.9100 520531.3970 5419570.4560 4233749.3300 4467051.3770 9304023.6650 1650569.9190 5541957.2080 5845698.3160 3598779.1920 4215536.0320 1381578.8630 4269544.5540 2359810.5260 2693647.6780 6618945.7670 521176.3618 21730874.4200 3488724.9610 5210161.0380 13368146.6300 8448317.0670 4003345.1110 1809181.3110 4745677.7390 459853.1676 2901384.2790 4654251.1060 5218855.3000 7605138.3010 4485637.7360 22469.5923 1058259.4500 837639.2480 7118753.2290 2432441.5520 7850434.0370 4795489.5300 5613714.5830 4083407.0150 236962.2285 4082771.7030 6597620.1330 1789650.0220 7477072.2110 8097976.6740 1727701.9430 7570335.8780 4237722.7360 12578722.3900 6258794.5940 3931714.1980 6487655.6010 8616138.4960 7680588.1320 8885213.3200 3426022.6880 1954112.4110 9596625.7600 3601742.5770 11809335.9800 5782258.6350 1039808.0600 877939.0845 2332326.7990 4565775.5980 5588434.4750 2608550.6180 5892157.8330 3926864.0150 1525220.2470 2185011.5510 9361731.6990 2754185.6790 2451877.4770 3983571.6170 3060172.0240 8147790.3330 5937964.4980 7333127.2200 1996524.0390 10179638.2300 12499895.6300 3941266.2670 6916103.3020 29735107.8200 10902950.8100 2810572.5620 1899599.3240 8856062.3870 1166151.9500 6808633.2780 4040415.8550 8765865.2680 6727743.3170 1497210.8250 27832156.6400 4992214.5560 57276.0845 9540262.6320 5214256.5590 4144420.0410 1400615.7540 5139383.8830 6449591.7370 3695980.2900 5068046.9300 1-methylhistidine 40943732.2800 31001433.1400 29022124.6200 38528305.2500 30633136.7600 22376665.7900 22849060.9300 22015633.4600 21802962.1000 43715276.9100 39121740.9700 44525570.8200 23196000.8000 19887339.4800 34991390.1100 44753945.8800 25414706.3800 21090370.8200 34775641.8200 31019124.6400 37308106.3700 17827916.4900 26527733.9800 7126829.5200 25191808.5300 29809142.6600 14396016.6100 7203872.8440 51314168.3800 30754727.3800 25087404.1900 46406167.7100 47113024.2000 44110995.7800 27661684.2000 21256338.9500 13984360.3300 8745979.5250 25083167.0300 38085234.0600 17634563.5100 7748202.7310 7724266.5800 12352666.4400 17377059.9800 25032652.1800 27560192.7300 34231264.1600 6728474.6230 51687969.2500 13775585.3100 44643993.3700 19779653.9900 18813001.6200 21116394.7800 22141113.0200 17106847.1500 30602988.8700 27191654.9600 29498486.3300 31184142.6800 27997109.6500 21275682.2800 34754293.7400 25251037.4200 31421561.2700 35428164.2200 25634225.9100 36178830.3500 21297235.8500 29257843.1600 35122940.6700 32933980.6500 30244146.1800 21522068.7100 10919400.2800 25784961.7200 27839600.6800 19658075.3900 35686488.3300 36957137.8700 9758788.1170 31814811.1200 7503694.8570 32895680.3800 41313166.7700 29829268.6500 28325741.5900 40881001.9100 40918542.1500 53660774.6000 31712515.0000 28127905.7700 6847717.9650 13395049.6800 24957975.7100 27125615.2800 17587191.6900 18658462.6700 14441728.4200 33976129.2900 40934717.5600 14229135.6300 24502555.4100 9932514.5830 19718007.0300 31753161.6400 30335413.4700 42583936.2700 16680044.5100 16168690.9600 33968306.1700 2^_3^-Cyclic CMP 3655.8636 119060.3332 3395.4178 4367.3288 52435.5987 2710.5817 2867.4313 93968.6345 15111.2131 8593.5864 6960.6235 8170.1573 1475.9942 1891.8924 9720.8437 3425.5602 1580.7379 1300.4767 5277.8283 2993.6591 3979.6493 2228.0875 1566.8439 516.7574 1825.0499 7005.9318 497.6149 340.5443 2681.9259 5072.0750 4317.7537 5834.1509 4682.8562 2987.1398 1412.6241 4088.9101 1172.8057 754.8868 2713.9095 3668.5650 1286.4483 1523.3061 1605.1370 571.0708 1024.6684 381.8213 7098.1578 3302.3287 529.0222 6077.6833 1039.7733 3108.4441 1147.1600 794.1129 1455.5287 1102.0540 1925.2053 2848.1742 1655.2479 3155.9495 1553.4553 3756.1538 1693.3644 2176.3347 1304.2162 3242.8338 3129.4417 3431.1053 3671.8436 840.0601 2099.2351 3433.5630 1905.7746 2576.4346 2381.6483 492.5789 2618.9221 1946.9698 2541.5772 1986.4936 3630.4928 1792.9102 4392.8603 471.5934 2573.2010 8700.4099 2269.8182 4368.9675 5172.6655 4047.0033 9205.0857 2199.3028 3471.2443 822.3071 2179.6586 1448.5948 2785.8881 2496.2403 2972.7853 1397.5451 3180.0927 3751.3171 926.3270 5536.1642 631.9852 1730.4907 1376.7551 4320.8078 4040.6948 2629.7516 2464.8177 2288.8276 2-Aminoisobutyric acid 259629.7923 1629164.8150 545882.7518 5140603.8080 1453509.8440 217357.7004 151820.9817 1096279.1740 797066.8000 1033614.9200 1981232.9310 465477.7171 226695.7021 1586259.4190 830763.6378 358452.2975 90992.4380 2357550.7040 187546.2242 2714700.3910 178290.7153 372787.4913 20355.1115 394710.3972 297953.3229 47558.7045 686631.4254 1017931.2810 742687.1060 454702.6324 332649.6379 735001.2645 34046.4856 87330.2705 206844.7242 235913.2177 77233.6414 57827.1754 43174.1083 235464.2868 290174.1144 1262987.9850 28789.7022 303681.7707 1332807.3940 102569.3997 81657.2421 163939.3348 582957.6582 500811.3590 94576.2570 147451.7707 453213.7181 403559.3844 187274.3962 1763516.3890 277023.5730 602127.6222 683038.3278 345908.4402 333537.2794 52560.2562 841023.1107 444138.6428 677210.5625 28384.1755 42809.0770 577220.1796 258366.8982 827420.7551 239361.3319 1335662.1140 75960.0807 108920.7863 534040.2391 1801537.7610 885106.3177 67637.1916 421558.3370 556732.0153 61163.9813 1736217.5160 1732611.6670 1102778.6470 284270.0838 465980.2934 543753.1289 259068.3286 216844.7609 26160.6503 179750.3269 1409939.9770 204400.4895 200425.6418 112370.3662 218046.7465 2-Aminophenol 2454.4025 3383.4988 3350.1285 3267.3850 1706.9931 5734.3966 25670.9118 2935.3315 5346.3102 17055.8846 4273.3116 3786.7019 9307.0492 1529.8150 3054.8889 2289.9536 4167.0230 20060.7719 2383.8175 2681.3127 1418.3274 3484.8200 8641.0163 1077.9724 1699.2258 14423.7154 1059.1216 103780.6880 18057.0881 2838.1607 1467.8021 29274.3865 13661.8012 63155.4729 3101.3703 23369.0770 23452.3690 12752.4757 7167.0098 369.7720 4378.8531 26807.4760 12954.0539 23986.2336 24949.6702 751.4158 25091.7173 55256.9122 1735.6549 10156.2957 677.5230 18651.5541 4074.4936 56787.2041 10207.7001 7025.7896 40249.3543 21985.2778 12112.4641 11838.1494 6310.2055 2253.0188 4582.9778 2254.8250 38272.9664 8292.2256 28151.0356 19972.9750 22210.9163 5851.0541 5058.8733 3040.3470 1973.1009 5815.7349 5428.3256 19472.6579 39239.3668 6060.8333 1251.4702 10719.1748 3045.8752 17050.5993 3785.5183 1595.2080 4024.6248 26353.7232 2066.7899 8399.2451 13957.7591 5272.3473 16105.3160 35262.9921 3200.1773 622.4637 2637.4933 1974.6109 3041.4110 1176.7657 7157.2093 4273.5735 4656.2799 28000.9861 850.1272 4091.7982 5854.8207 8890.3799 1617.0023 3376.5132 25417.8446 5575.8962 11285.8371 2168.3404 3-(2-Hydroxyphenyl)propionic acid 219.6933 3882.4593 2059.0289 887.4526 20100.7906 1662.5270 1420.0210 2079.1843 4577.8053 240.6001 322.9806 10571.5168 812.4728 433.6003 1138.1192 39.4776 1352.1557 4681.8041 67.3352 317.4716 413.7222 383.4503 81.4476 7750.5789 342.7182 1872.9496 161.0456 2571.0620 6740.4417 480.0537 177.3166 2691.1891 1809.6673 7233.7068 180.7438 1194.9785 4081.7161 2698.1403 646.6716 1480.8577 3207.2611 3118.3635 3205.1826 3792.3224 555.0315 2174.2570 81.3740 354.8905 732.7598 232.4198 1879.2335 1508.6289 4119.5886 598.1237 414.2292 11750.3162 9455.0407 2256.4635 553.2513 4084.0502 926.0151 2846.0604 3051.5805 825.8966 3179.0331 6636.4960 687.5164 30473.0906 474.2839 414.9147 421.6071 2964.6674 1065.4410 4663.0992 466.0420 1307.7595 540.3567 570.5328 1217.7816 15379.4427 1954.1453 72.1329 143.1919 5043.0429 730.5301 696.8719 2041.8911 1584.0705 8466.6411 4883.1545 418.0987 352.6581 505.4419 1579.0307 451.8630 414.2471 866.2818 1891.9295 712.5321 892.9652 329.3172 1365.1337 3572.8821 1520.9427 229.3860 1795.4503 2734.9930 1313.3569 409.3304 346.4304 3-(3-Indolyl)-2-oxopropanoic acid 18237.7973 8618.3713 7362.3856 6611.5599 6233.2779 3-Carboxypropyl trimethylammonium 5378040.9610 40265370.6100 320849.2835 1620511.1680 294997.1585 172849.3029 2261041.8310 473660.0384 127796.3446 174665.3296 235138.9576 348366.3608 758632.7008 2213116.0510 307606.8072 2036390.1660 1156277.3750 826980.2008 2285913.6360 1215694.0950 245018.4974 165102.6513 3195385.3440 823729.8857 3438823.6000 118726.9435 404013.9063 110862.2508 528839.3088 114527.2233 62630.2087 636520.5542 6758179.7610 586272.1045 381619.1560 48233.5672 304525.3771 576451.9302 168889.6282 320071.7358 170480.3879 48421.5167 165500.0505 570870.7366 290845.0160 649601.3022 712979.5527 311781.7027 65949.3135 197856.4240 30803.0090 706784.8167 55009.3289 206247.8573 265732.6628 180361.8626 157317.7652 101219.3744 2756676.3700 234303.4587 199071.7399 241875.6331 310831.6198 294913.0900 251612.1867 306561.2680 149274.4608 415507.5992 433837.3159 747472.0252 513591.8362 1338573.2690 865079.0581 483733.7738 2567023.4350 176048.7446 90838.3116 211653.5772 436551.0489 621417.1345 1207417.4080 419855.4860 4072388.6540 270673.0817 748110.5732 1407457.9730 3363941.6260 1153539.3860 395447.8936 356452.9301 7317922.9280 2473360.7510 46314.3804 15007.8860 65666.2912 65280501.0000 297188.8282 660303.2973 100270.0042 104397.8279 528884.3786 849214.9422 856990.3268 452452.6362 14737.6383 121954.4123 950703.2603 222509.5985 565953.6329 104737.1952 192883.6782 2970846.5090 3-Indoleacetic Acid 11921.2295 477.9810 395.4709 320.7951 735.9741 523.8486 55963.4704 180.0519 452.4078 903.2218 3591.6452 602.4508 705.0514 163.8788 1141.6784 184.6019 501.6564 294.2031 77.5813 379.8816 782.7113 1076.8008 280.0694 366.2438 554.6021 74.1049 6508.8287 117.6651 4781.1607 479.2570 847.8347 147.2414 333.2704 3817.7221 84.4416 311.8363 76.6238 703.0279 235.0995 470.9669 147.9975 373.9430 1067.1418 939.6303 370.6108 138.3389 69.1339 274.2094 385.0343 302.3064 109.9675 561.5265 411.6919 269.5099 80.2020 77.9345 410.5518 127.0833 10525.5642 2179.6154 417.1781 616.2348 326.9297 497.9963 3631.6428 914.4826 1451.7797 868.1766 829.7776 240.2447 720.7666 763.7407 766.4685 469.4896 588.5903 249.8131 796.2301 138.8177 65180.5967 374.0883 165.5522 558.0732 230.0633 514.9917 394.8128 1523.0916 2067.8833 398.0768 1725.3054 616.7423 1007.5058 338.9422 535.0311 33.7524 945.6580 714.8088 3-Methoxytyramine 1837.4193 41807.5459 16154.2367 10351.0510 179092.6440 66282.0443 83603.2860 545341.0366 8609.7643 1119.4197 35134.0162 276805.7796 96418.1016 21856.4361 25875.0589 33377.8185 154695.6414 55648.3643 42573.7005 31876.0817 2811.9689 12662.7018 33762.5406 245006.2108 34954.3689 4735.0955 136911.8060 23420.6983 99272.8898 10583.3754 11079.0649 27178.7835 163701.4656 192251.9591 42287.3591 6051.5458 148384.5469 113242.5496 30917.3822 7606.6275 43840.0797 79275.1162 52788.6101 115409.1970 75727.6829 22469.6743 24661.0825 13392.0943 27736.3103 21385.9529 27565.5105 49926.5089 34573.8631 78460.2173 93734.7022 28651.8221 22973.8146 112487.4732 50321.4616 18754.0409 11481.7278 58826.1221 76849.4265 300920.7170 58207.6040 45114.8778 86656.7342 44402.1581 53764.3359 38950.0212 19029.9798 14526.7980 10947.2785 23277.8295 1492.3665 123175.7808 1699.5065 47887.3441 71998.1412 155178.4294 71518.8093 27631.9332 140948.6923 133710.9586 8171.3515 49153.9269 6232.4601 50988.6784 18824.5709 43513.0887 112803.1082 162287.9658 17888.9074 34223.4008 41861.9717 360764.2227 12924.1048 35227.7266 15499.9160 12081.1378 108672.4137 50258.9971 17156.9890 27442.5715 34017.8654 70041.0011 43606.4098 138764.8922 96451.5710 23226.0270 8198.6397 155573.9701 3-Methyladenine 7040.9016 25938.5708 7924.7428 10644.4189 9695.7987 6979.1855 93996.8798 6077.3204 20257.1247 26318.9607 63208.5546 31813.7565 8008.5618 8579.1692 36300.7009 10038.2144 100923.8345 27251.1480 10658.0751 19802.3105 12965.9012 194620.9314 8498.7904 30937.0802 6595.4500 1826.5927 8737.1452 6629.3975 7341.0897 16477.2849 72922.7129 11770.1293 9967.0198 6612.3682 32812.6670 4025.0964 26620.2000 39487.9411 154016.7568 9397.6336 65723.4144 29149.5370 5527.8162 20576.0343 5318.6265 46533.7622 9068.7233 7572.8148 9082.8495 17920.2733 4048.0583 12963.2970 4124.9357 9553.4160 11953.8225 23025.1152 40686.0048 5749.1095 34452.0519 17237.3192 22146.5945 12759.6181 4675.4783 11583.5723 49262.4557 1833.8688 8833.0109 295445.3282 22836.0995 1385.5711 18907.0290 7975.5606 20184.5186 127638.2231 7394.3763 99070.8344 111655.6084 37418.2477 16537.9928 27045.0574 41076.6842 97076.2852 11422.6043 5503.8498 12450.6837 8739.4502 30922.9453 7116.8016 28806.2280 19571.6079 12582.1392 4771.2271 15663.2041 21957.7807 20486.6634 58421.2184 43069.2491 9226.6138 11118.5356 13411.2286 7988.7838 23006.4768 7150.6616 120723.1174 5158.0152 7185.2469 17458.5039 299101.6005 6773.4008 21389.2546 70734.3005 12060.7058 4-Guanidinobutanoate 207824.5952 90352.6238 183414.2248 993164.3518 289317.5966 101231.7192 1706445.5940 45118.6368 379468.2908 502253.0475 16887240.7100 406145.1944 1090558.3740 355487.0564 950248.5636 243523.3370 579747.1270 1040395.0270 2157354.4740 557092.1458 901092.9616 381189.0863 187689.4377 199413.6428 388780.4075 177502.2441 167421.2650 213537.1778 565763.0329 247149.6964 198828.9643 367710.4232 513615.4289 364324.7331 3508315.7760 358708.6137 429103.8919 414926.8057 596297.2887 555642.4692 387201.2447 137358.4295 196886.6671 344263.0060 528541.2343 258604.5349 750224.8246 362264.2183 1104841.9270 767316.9972 206767.5607 4148584.5600 739835.3629 1563448.1580 529316.5389 1087452.7710 3147229.8990 679648.6543 931835.9010 3739997.1690 1957040.4180 1529248.5720 1165882.3640 405524.5210 871384.7821 2327053.6520 987996.0271 427391.6171 314615.2090 353979.3614 2379112.8140 626634.9636 825265.6597 3088848.8700 236862.1533 427201.5008 2316600.7290 933016.7469 797139.4592 552354.7842 881078.9013 674827.6581 4239496.6760 185896.8649 1650274.4680 1058810.9910 1285738.7020 1424344.5190 473068.3708 8903393.2110 370268.6333 1311948.7650 1558637.2700 222350.9595 1465082.7850 264996.4842 1176857.5270 462091.5591 761497.1318 190424.4307 487577.1662 327881.5415 137515.5479 606259.0984 591618.0621 683706.5948 367980.5362 792670.4356 1023137.9810 970427.0019 879915.0604 3796291.9110 4-Hydroxy-L-proline 30560.7018 105877.8132 51134.0600 833487.3978 114045.6867 75106.9624 543515.8051 64552.7506 1709201.8920 353161.3240 1733235.2770 65405.6982 483426.9849 115399.5342 554941.6684 46971.0471 26047.2283 803736.9460 75741.6350 410258.8650 82232.3850 364171.1400 57110.9389 131153.7489 75489.0734 107902.5664 56574.4230 16296.0026 448971.4211 606935.6466 444596.2936 184175.3368 120446.6884 125443.9439 183155.7808 340376.7949 407014.3406 44852.9002 177506.0256 356261.5061 265277.6423 95879.9383 47008.2552 60899.5505 326200.0755 903713.8386 60441.5884 411698.4598 521000.4321 342612.1033 35180.0853 672961.2053 257761.4160 278058.0611 146335.6345 152690.8946 326585.1850 777598.5508 280240.5427 163754.1282 243476.3423 442668.2217 178650.1530 399419.5506 716011.2391 123026.8463 186439.0933 158363.0600 1780049.3050 166587.5301 581662.0483 73773.3676 534014.4557 2811829.5880 106293.8271 630345.3838 189094.2681 347958.4697 396571.0662 2278292.3100 237265.2559 191410.3681 216697.5044 19492.2085 41489.1223 59739.5265 155293.3619 261657.3542 65223.7943 165865.6729 145163.7815 89063.4187 61489.3409 221593.6683 117474.4377 3697222.9750 854120.5131 51866.5620 144253.6761 370600.4013 280754.9872 434406.4627 118130.0209 4582412.9240 18873.4816 308866.2880 538576.4769 2529653.4120 1115397.7730 219770.7360 226410.6847 82454.4223 5^-Deoxy-5^-(methylthio)adenosine 63091.1014 13556.4465 114922.6202 172901.9798 559620.8282 67203.7188 120815.1153 203611.3742 133759.7927 268313.7850 27472.8839 197396.2693 43255.1539 32807.5542 157363.5824 490410.7035 65800.2920 49230.9050 351780.6840 71835.0111 247778.5343 74588.9963 104943.2543 23574.4618 105523.8688 116609.7609 21350.5532 13412.9733 145977.3284 25698.3408 16652.5350 119651.3923 81888.7982 76386.0615 71740.3750 71711.5670 8384.0893 67866.1702 103819.1574 209125.5336 164445.9539 9796.6106 22146.0210 27607.0141 57843.2445 126421.5918 117892.2040 31248.4089 18912.2240 48198.4480 46242.3070 244045.1679 72620.2607 56473.5798 48632.7618 37784.7770 43056.7309 53075.5656 106957.4984 65723.9407 679607.4112 36531.9421 45733.5605 81920.7602 67081.5258 142691.8086 137622.5993 66985.1401 560339.5535 51729.1805 146529.9171 221334.7798 319426.3325 137178.8137 129263.1008 31777.9173 555259.7948 66354.5140 71712.5923 652228.6928 203210.9675 76742.6858 384999.9406 34151.5598 250135.0777 86604.5206 222059.7396 331846.9308 394748.4714 81469.1971 63453.7800 218915.3502 691909.9863 32813.4107 177701.7833 98848.0316 90131.1346 65410.4100 15438.4522 31449.9653 74534.0207 54245.7557 16413.6642 99647.2976 54001.0338 241960.7192 131976.5719 16009.7782 36793.8503 33528.1028 414262.1070 97345.3525 5-Hydroxytryptophan 335590.3770 636935.8064 44353.2081 491541.6325 841620.5612 57434.8105 132591.9475 373093.7452 1300733.6390 558687.0750 648108.9336 291440.6038 22094.6145 54402.5300 320043.3890 409204.0342 81772.3158 33133.8970 455713.0529 48829.8164 170426.4855 124485.4359 53574.4842 17187.2547 32165.9560 355241.1850 362168.3240 10916.3397 364180.2455 326305.1833 570999.6129 443314.7352 1306706.0520 260984.0859 81302.6462 127676.7268 27479.6440 48132.8977 115331.2658 357761.4420 146378.1694 284722.0018 13432.5456 40076.6858 40719.7057 24974.4606 187547.0182 410564.1934 15069.9675 403853.0280 257180.2154 225017.7827 444373.9281 41581.0758 72879.2270 40378.7985 88455.6594 29969.6588 87955.3941 49269.1015 191567.6557 265459.4878 149665.3348 278260.4573 77043.8525 148484.2745 926145.6383 157450.4297 107942.0110 115305.4099 94195.5419 38972.4758 128409.0246 238538.8628 18156.3045 11742.8693 37802.2216 51194.1067 319457.5470 196338.4174 62659.9952 13531.9839 159276.7239 7820.0875 54601.2375 185386.5744 818809.9842 392862.7636 224337.4032 238666.4783 91011.7890 105203.0647 258224.3072 147548.8734 57098.9761 343238.0386 105547.3374 255788.3251 64413.5940 18435.4047 287880.0881 61464.5730 169076.0207 85976.5181 21430.1234 13195.2298 104802.2124 232266.7699 187963.0018 18501.1832 13018.6627 131364.6986 5-Valerolactone 206.9535 3614.2965 2195.1078 893.9518 2992.8817 11958.8116 3694.2115 1521.7527 1445.7610 1749.5324 3338.8626 4801.7627 193.4249 2779.8734 2226.4450 1537.9968 5498.9211 3595.2471 1522.4905 1439.8491 186.8927 2222.7045 865.1197 1152.3361 3263.5868 5895.3339 3326.6148 230.2278 3990.5840 1166.2730 564.6331 5194.3631 3147.7332 2458.9226 5245.2416 2551.4979 5553.5016 3272.6768 1573.5145 1054.1778 1886.7587 4286.1389 2363.9646 3656.8870 4567.8928 804.3634 3436.9520 1664.4083 303.4074 32380.1565 1038.1750 2872.3741 1094.3534 8395.2986 4788.6325 1991.6170 4504.4616 4005.2054 3469.1149 1140.1750 2938.6764 883.6918 1071.1744 1485.6361 6442.6105 1169.0919 4238.3732 2776.7852 6769.3879 2844.6801 1526.9877 621.7687 1203.6097 2491.5555 2507.0298 1253.4318 3429.8944 223.3830 3210.4230 1106.8197 2528.8645 903.0469 2314.5082 794.5722 3779.8558 1133.7299 1996.5987 2413.2543 565.6295 13012.7867 3678.6312 2727.2755 1017.4501 1495.8644 738.7545 902.4315 1957.0549 1809.3624 8181.9492 661.7117 2220.7462 328.1458 1618.4187 2845.1945 2823.9049 974.7877 1424.3103 4335.8531 1423.3213 419.7175 770.8057 6-Hydroxynicotinic acid 7402.3083 6385.7583 8848.6739 1283.5824 6518.8017 10824.3055 4818.9855 6053.8980 2730.3597 3417.4517 4921.4589 4281.1228 6114.3534 2999.3039 9514.8793 4692.1389 4054.8453 1818.9615 4020.6500 1946.8449 8303.5909 7245.4523 20785.4617 6461.4322 7777.7933 2474.3997 6843.1855 6999.1684 16555.4556 4397.6512 7152.3999 4419.0589 3577.2630 4840.6585 4522.4038 4384.4399 11335.5939 8968.4490 7874.4376 1124.7837 28804.2274 6214.8689 17900.7564 5777.7125 12462.0795 6613.9183 4004.8710 1993.8197 10797.4401 1926.7210 12003.9762 15308.9449 9210.6636 14024.1003 13847.4863 3180.1259 2968.9447 5098.3497 7360.6068 6218.2861 26367.2063 3753.9177 5025.4458 3453.3644 10090.9234 14736.5919 5347.6543 17733.6422 5617.9170 2838.5346 12269.3156 5388.0365 16951.8253 4028.4562 5442.2163 10189.7281 5278.4965 1719.7827 7102.8938 7085.5406 1439.3508 14041.1856 6188.9643 6668.3545 9289.9200 3178.1730 3530.6295 3872.3625 4628.6878 4038.6906 740.0905 5293.6782 11494.6041 7002.0248 12063.8977 5516.0371 6330.0858 8423.4997 3488.5470 12808.6812 5029.4817 7645.3734 8979.2126 9497.8967 8119.7427 15362.6908 8013.5199 3910.1804 2491.5097 3597.6827 6119.5719 16029.3126 a_a-Trehalose 1296768.3900 2209674.1950 5342304.3830 8447945.5920 2131860.0880 2530835.2020 1800010.7580 1651695.1820 946821.0922 212117.5932 1951762.5520 1659193.8850 6753973.5170 2975033.5720 5506293.1130 7211473.2610 336145.0485 5906779.3710 3376678.9590 2040035.3160 2966278.2760 11011749.6300 3093533.5390 805866.2373 2950646.5610 4655988.1410 1288464.7890 650207.4624 1941880.0430 1026479.7440 1726278.8260 2425170.9300 13383570.9300 2545281.6990 2881193.8670 5658728.1820 3327910.1690 1724697.8290 2487544.3440 2040004.7000 2714732.8800 2526085.3020 5246621.3620 4968514.7210 2121622.0340 1903085.7430 7603664.6680 2383774.9350 761393.1588 7396009.7510 1562055.2680 2824841.7710 1240867.7900 2472705.1220 899814.5188 4593187.7290 2636376.1840 2408713.0370 1384671.5550 3607721.2490 3168535.0940 2513296.6660 1782085.8440 1783482.6970 5512582.1430 8643543.6380 3188389.2520 2131173.4070 1342210.0510 7423947.4310 6550607.0400 2268789.0580 16556941.2200 6713800.4030 1126110.3490 1081023.1680 2387248.4080 6227485.8870 4085121.1740 2937330.6490 2542150.8540 5736489.2920 2614675.6460 4010245.2370 1093410.7900 1923165.4150 5503515.8830 3764650.8670 6222375.9660 955897.1703 4951439.4260 1217416.2220 8947701.8270 1136873.9460 4783479.9260 1634324.0150 3850759.6940 8590684.7410 2155854.0960 3726657.4250 4613320.5010 2719199.4730 2124615.5420 6512520.9060 3512221.0120 1644236.7580 6971557.8520 4084532.3200 4412471.0600 3692119.8500 1348205.1110 3840065.5000 Acetyllysine 18612.3112 118533.5158 75505.0857 62062.8457 192611.7107 430763.7916 21189.6806 213810.4452 171744.0572 46165.4119 21968.1745 55749.6680 56448.3804 75321.2753 20728.8474 39955.9617 110962.6854 35078.8604 86384.6489 59973.4506 10128.2357 11719.4716 45601.5580 89861.7754 190561.8953 70846.2841 113940.5214 48479.3698 86770.5108 632007.8569 34832.5637 225276.6125 77207.6299 100425.5588 91216.3552 113504.2478 45293.6714 109979.2812 51268.5428 49306.8105 92118.3812 108606.8839 193789.3667 53645.5981 323674.0770 78706.5263 221136.4842 112925.9839 111799.6928 319191.2889 137487.3858 53355.6628 352169.6296 98534.2715 133039.7010 72671.9505 3490744.6570 131180.8951 37536.1537 146039.4591 56552.6793 20486.5372 55999.7747 75016.4317 99133.6648 104304.4273 36815.8723 66399.2437 37144.8892 50414.5943 86535.4185 217511.6613 13596.3681 4474.3055 98154.6877 100541.8312 119332.9602 22150.4447 101995.3508 53971.9740 93400.7729 29496.6688 102594.1075 234922.6218 156099.4514 141011.4102 152950.5644 145000.0680 65039.6283 52233.1595 65217.1078 Adenine 73072.5362 15344.5380 80424.6183 121891.1242 216833.2811 45768.9261 103065.0598 20454.0472 34879.5559 178961.6993 24846.0697 163537.5953 37396.4753 36870.7471 136963.9576 190432.5643 37903.8198 30887.7582 180220.7001 42746.0528 90180.5724 50716.4869 67739.8505 33597.9201 78361.7112 67652.6159 19896.4232 28766.2405 98067.3684 33893.8244 10111.0611 62141.7959 76977.2860 42695.6036 28833.8289 54838.4771 13255.5937 45055.0168 69749.2210 123674.3480 80404.4590 12700.1611 28379.1996 17979.0762 50783.9192 67608.0883 74281.0291 22000.5784 28273.4462 39821.2711 40067.3998 154191.6542 54755.6641 47786.1768 37489.9464 25166.5365 30092.9297 37103.9613 56752.2333 39998.1865 339909.4201 25140.5800 36914.7773 65262.8143 41305.8679 96466.4751 108861.5051 37885.7444 108880.5442 30188.2612 101900.0235 132642.1783 194678.1976 82565.6482 40816.6895 35230.3421 71270.1077 41480.1997 35105.6538 296979.5397 128308.0425 38345.1010 203627.2512 27480.3846 137341.4463 55409.9396 129563.2673 177200.4679 195820.4439 56843.5504 51878.8601 127537.2109 344495.7791 28166.4488 95313.3499 67576.5988 70213.4451 30366.6077 14883.7772 34336.9103 43773.1222 45438.1069 17945.1620 9979.6283 27190.1843 104951.1510 76000.3965 23544.1015 36653.9269 31831.3722 95508.9659 61851.4094 Adenosine 7263.7389 7407.7862 112687.7625 220494.2717 58219.6741 53212.2924 24902.2980 25182.4893 23034.5811 11610.6901 19823.8788 44454.4798 56250.9678 44913.2537 74938.6028 58520.1165 65591.8160 111195.0976 80613.6175 12722.4351 17376.8923 42714.9951 45752.6665 36097.3133 107052.4555 219031.3135 12228.2517 97381.3354 96975.8494 53080.4514 155809.1510 110516.4643 64256.8094 104036.2423 11927.2354 9894.7901 108773.9457 110620.2223 14578.3030 90482.0307 8303.3387 7801.4696 33958.9741 196784.5433 85199.9778 13839.2366 104689.1047 18197.2453 155551.0487 31849.1731 37467.6980 8578.2523 50017.3793 40744.0426 172076.0978 80630.4011 44275.8650 147133.9078 21400.4518 54094.3305 141679.1606 88804.0350 90074.0512 172094.1464 70484.8174 27177.0065 22381.2922 68113.8397 119387.3975 39928.9600 11705.1213 21702.7322 30753.0298 31047.6799 97969.2321 6250.3838 159184.9062 202912.3705 23191.1215 102591.7627 258568.4061 79296.3777 267681.2166 110467.9164 15776.7789 137869.5704 177453.8948 23013.3358 14568.2229 33087.1182 71613.4682 34271.3003 23260.1395 32368.4607 131336.5362 182161.3716 33564.8383 18827.7885 32050.8135 30961.3262 28402.0163 223312.8975 235817.5630 61590.6308 28665.9123 92058.6000 Adenosine5^-monophosphate 20025.3168 64561.6236 21590.8350 20229.7940 19291.4009 13028.7612 23885.4317 55508.9931 29539.6279 53768.3782 89119.5571 23414.5995 13041.0394 11691.1726 60081.6633 41397.4126 10901.0948 17119.3270 20407.0717 23769.4779 14082.2612 15028.8584 20163.4395 8952.4153 13925.7221 72346.2251 10426.6633 8667.1720 27492.5228 68315.8265 33922.6724 24130.2239 47101.1470 50022.8964 20318.2053 15233.1068 8774.4386 6992.4361 24163.0334 16341.2145 12841.2053 11273.2699 7731.6452 9184.3263 15133.6652 23412.9653 31368.9392 33536.7431 6889.0388 38843.5442 16501.0266 20164.4042 16401.1821 14369.6466 9954.4224 11373.7918 20818.2718 13662.1844 19433.3252 18232.0267 18368.5083 15542.6811 18920.4818 19915.2191 19873.6891 14228.8314 22301.5550 16248.0707 34758.8098 13136.1192 92972.9938 17497.9315 15510.2635 11355.2743 13636.0361 8993.9322 17662.0570 28685.3113 15795.8416 15771.5037 20158.5391 7042.3909 24773.8763 7952.3529 16234.2527 24909.5419 22815.6253 33622.2971 22289.6714 25335.8523 28236.4561 26852.7601 17084.5837 8366.8288 27340.6550 14319.7860 15938.2445 23394.1723 11346.3099 11520.9134 59078.3992 25474.4036 12385.4311 14341.5035 10400.8330 10832.7692 16201.7488 11675.4980 18534.1329 18577.8774 13504.0770 20794.7847 a-D-Galactose 1-phosphate 10005.1820 10998.3773 10413.2137 10919.4717 31439.0845 8386.8495 5170.2289 1437.1542 21026.9152 37377.0590 18628.0246 10854.3516 6346.1632 3454.2107 13832.3154 6201.6264 4780.7358 4217.9475 12183.2525 5763.9251 6339.3543 6033.5492 3540.1617 658.8083 5858.5212 19756.7741 1511.4705 537.3747 17453.4210 15699.6817 11751.2749 17718.5789 13976.0875 11641.5853 7758.6592 11542.3292 2506.4288 1941.6670 18352.3948 16113.7193 2857.5245 3341.5530 1142.9546 3337.7923 2765.8737 2483.6647 6634.1751 9813.0490 1074.9291 26231.1855 3594.4963 12978.8892 3954.3289 4334.0583 5242.5275 6809.3196 6594.0954 13801.7744 4033.2632 7905.7095 10971.8068 4029.5172 9448.4498 173160.0011 6785.0766 9018.4743 15536.2478 6180.3946 8831.2688 4506.9966 7002.3719 18648.1682 6614.7562 5416.1152 3415.7880 750.9404 7357.7784 8080.0234 6425.1039 14079.8086 12479.8098 1681.7190 9366.7422 1803.6862 6196.9344 22613.2636 4977.2087 29682.4034 14979.5153 34211.0430 34087.5215 10459.0749 14429.3070 668.2230 7254.0264 4426.4879 4394.0932 4263.9239 6674.0787 2870.2342 11163.3027 20944.7849 3008.8288 10073.0853 2827.9154 3329.2494 7372.1144 9307.3054 20239.6179 5309.2816 1680.6420 7620.3306 Aniline 103672.5717 172435.0212 130593.1379 64845.5144 334509.7110 52214.3251 476950.6168 330600.1496 189587.7956 306336.6789 145138.7597 286147.3075 154555.4305 51157.1616 55921.3684 183486.2115 71161.9722 250450.9386 326046.8105 56544.4228 182730.0852 84946.8679 290627.6975 46256.5408 77972.1302 2920.8881 51649.5681 235813.3714 1217006.6270 62640.8374 82600.4931 468730.5496 478620.1927 967380.2020 95525.5516 354526.8279 632953.6780 192781.1721 68085.9962 90835.3034 109706.3758 378044.2561 221934.1958 695621.4174 619105.3324 63718.1031 503349.8875 82455.3842 47156.3922 252924.8590 37531.3381 1361113.1540 38543.3293 514608.0699 120656.4174 113778.2794 410098.6616 235817.9252 319897.8430 90353.9225 68162.0047 90661.5678 75731.6178 48180.9331 289244.1185 96223.3944 874497.2948 89956.0701 32694.4557 110072.1544 104055.2628 49522.4837 45250.1402 62500.6921 79789.3251 490242.5167 37195.7392 215243.4555 34349.0568 359901.6593 139991.1080 184749.6567 44648.2844 38028.5431 136129.2762 434744.1028 157843.1967 532118.3451 475264.0932 224009.7617 102043.2293 1543790.7200 36151.6938 23439.6784 127487.3140 83554.8171 50993.9385 59875.0786 53928.0883 110518.7506 132905.1935 141030.5807 35537.9250 36720.7822 40559.2777 132405.2552 99536.9865 51335.6428 717097.7942 46768.3256 37606.1798 67618.5990 Arabinose 15790.2641 85069.0446 27764.1699 195180.4296 34127.4611 10936.1145 24804.5203 12522.7450 382709.9460 153992.2934 20355.2734 69128.3089 108580.9585 40913.7925 18166.9731 33679.6096 10216.3722 6565.4381 494415.1253 18973.1698 18621.2168 19557.4047 2556.9686 40313.7109 205287.4485 33251.3807 4064.6196 1201.0959 25474.4532 16172.6999 12023.7298 28289.7474 20158.8280 33075.5467 7708.2098 6360.8664 5508.8705 3641.1709 15899.6963 12910.9804 4384.2466 14670.6319 2602.2045 1988.4667 3223.0758 6004.5390 31501.2344 8665.9567 5099.0971 34520.4176 1750.1856 12430.8381 5310.7484 5831.2736 5750.6039 10932.7339 4177.4329 19809.6280 2359.4659 7466.7130 15882.6965 198431.6583 37129.1527 24999.4512 26224.1986 15550.8562 20067.2288 13633.3044 30260.7772 4183.0302 15869.9948 11420.0947 21263.9897 182804.5839 3503.1390 6200.0945 10172.8035 13322.0098 18230.0817 38717.0550 44445.2933 3396.1148 17466.7135 2721.2009 23846.6428 155629.8841 20073.3323 12755.4734 26406.3179 267434.7826 495896.1898 19820.7653 371358.1870 10212.3761 5771.0520 28300.5713 9273.4446 6227.5151 3793.6416 18871.6861 53895.0553 57258.4532 32446.5337 17990.7076 3296.1895 9171.2746 10836.7083 43384.3299 82154.1016 11436.9577 10074.5487 13943.7744 (+)-a-Tocopherol 3540.7941 2009.6037 4764.5017 4667.9634 3341.1775 3260.5711 8220.6772 1445.4485 3221.4799 3131.7373 5115.2201 3519.4250 3742.5617 1569.2527 4101.3098 1264.1321 1827.5609 2532.9471 2639.4400 1483.8671 3365.9176 3749.1090 4543.8277 3216.8827 3550.4176 5337.6934 1722.1123 2107.9692 4213.6429 1806.2706 3785.6015 4462.8885 3974.9779 3613.3862 3597.3251 3436.8224 2580.1784 1627.7411 3852.6533 3019.0745 2558.4092 1724.8474 4012.8044 4106.0346 3239.5350 2528.6580 3437.6082 1815.0510 3375.6987 3736.3420 2932.6480 3360.8270 2701.2749 3307.6013 2927.4392 2911.0011 4801.9581 2977.7448 4114.0563 4222.4207 2814.6154 2312.0020 2935.8831 2492.9631 2159.0854 2132.6931 2740.3163 2909.7459 4793.1690 2693.5995 3880.6567 3741.2789 2393.8492 3962.1045 3347.1064 3017.9464 3183.8630 2299.8701 1796.4596 3608.0803 4194.4444 3018.1091 3100.9613 2280.2820 6468.8848 3738.8392 17431.6379 3694.2947 2186.2167 4468.5381 5478.5689 3323.9114 4117.8644 1771.5702 2309.7676 1786.2750 2982.2960 5626.3525 4008.1608 2756.7604 3119.9288 4443.0960 2864.1331 4627.0511 3245.5216 3837.3285 3208.6349 3334.4815 2903.0928 2170.0511 2660.0634 3716.5047 Betaine 11461185.0800 51599387.2000 22155218.2700 57790733.5800 26371221.5500 5078959.7840 3890180.4700 11472799.2800 21712895.0300 80609653.6200 34155143.1900 74104815.2500 33468091.2300 31276297.9600 19243550.2200 31835101.9800 19359111.3500 11145435.9400 44149759.3900 38874822.6400 39576701.7900 7191347.7520 6802570.8750 7453766.4530 14191812.4800 52821104.2700 7059106.9110 5618385.7350 37867271.9300 58857367.2000 10977046.9100 44401607.0100 32536281.5600 38328072.2400 11672679.7000 26478337.5900 8997986.4470 16902769.5600 6567192.9940 68500590.1800 10040287.9700 7655865.4750 23521088.6300 8471607.0080 19169649.9800 102662171.5000 49398446.0200 29217641.1900 42341518.7200 150883291.9000 7663349.9100 18958236.2300 17930789.0100 23348684.7500 8456313.0700 12113552.1500 6976649.5330 45312920.9000 8358641.1180 11530114.7900 38750674.0400 19788820.8900 16469745.2900 53838310.0100 31915290.2400 23116876.2800 42189535.1600 4472723.3250 106268497.3000 11186707.5700 7042175.3700 27591019.9000 33789271.5600 14307050.9900 7394948.3140 18379440.8300 6193173.3240 14247487.5500 21893600.3700 141128164.9000 52689291.9500 8617463.1080 11204079.4100 6283532.3080 24052997.3100 58769246.9700 24603844.2400 44960823.3300 28573482.1600 20055156.5100 120207815.5000 37768911.5400 46447810.7600 8184853.2000 12680239.1400 11355080.4600 21248373.6200 7962664.9560 7634721.4750 12457032.0100 8126153.8630 56746859.9100 24176356.4300 82610851.3100 5744489.2890 8856171.3330 32580483.2500 18040796.1800 63208005.9500 12850491.6800 3798238.8990 16839457.2800 Biliverdin IX 27909.6304 82094.8227 17417.0902 82600.5819 77603.3374 7666.4056 15051.9709 9755.0853 75735.9374 133012.8239 154006.5586 77100.4605 31731.9808 8615.9050 171386.5494 34136.0640 36480.5140 38803.5004 20452.4775 299512.3879 17495.4072 183199.6171 19561.2435 2946.6062 31662.9227 13922.5742 6390.0608 2238.7827 86497.5153 58119.6288 296828.7380 14182.3933 117043.3459 33243.0111 25270.9258 47388.5645 34772.3914 5041.4169 62810.5873 15361.6023 14955.2882 50215.5350 8151.2783 20666.0936 11023.0148 9811.5593 200921.0026 11357.9626 3837.1488 16718.4199 3875.7011 30431.7146 24700.1663 15370.1396 12951.4380 157682.8780 60038.6396 26173.8874 28494.5910 17297.7142 17945.5285 24452.3754 37310.7301 43707.0041 18105.2834 58390.6347 46657.9928 29699.0363 372440.1933 39979.5686 229322.6673 23854.0327 82692.2864 206925.0788 64758.4516 5482.7828 11975.8407 71859.9108 9183.5307 79336.2817 17766.9201 22959.1593 12467.5919 12503.1669 55847.4213 9160.2605 176668.1827 88347.5065 255858.2634 131496.2551 49201.0445 31932.9630 15269.4673 12684.8023 70626.4614 79734.5403 55817.7058 1325419.7590 70249.1603 11952.5695 7904.4789 19559.0651 17946.7843 181198.6080 515853.9833 16173.1383 16667.5288 52740.6801 33989.0918 28801.6802 41332.9244 49635.4111 Caffeine 4931.9492 12749.3086 517.1297 67784.6190 1932.6347 135054.1319 53017.6179 22985.5539 52205.2768 180.4603 92891.6561 937.9137 40728.5427 470.9675 61421.6232 9944.0325 39688.2165 1907.0304 3532.7962 82935.6184 69929.7454 34111.0171 3945.4760 23113.0838 23241.8843 113643.1180 28448.4207 39626.8486 37332.8441 27386.0799 6452.9878 183695.4682 36651.0916 12894.1394 36713.9750 116385.1723 115033.1795 52181.4034 67400.7679 13578.3217 67683.2550 84471.6563 284508.3404 132162.2728 1925.5215 40421.4155 18777.1408 228624.5253 160124.5090 46669.0600 36736.7513 32986.8737 92053.5748 50814.0541 25343.0039 94636.4024 91957.1800 84657.9258 74650.6898 23328.5962 152028.2370 37390.6258 1176.1282 80369.2498 27762.6367 52486.0996 33158.3323 161.9888 10415.9267 36402.2344 46804.3031 82.4934 79130.0753 13601.5909 109962.2054 37682.5483 13747.1721 112682.1113 12182.0150 4744.0100 69159.7033 135.1914 61006.7402 24899.6233 64942.9870 39431.0519 13436.0597 20064.0303 54854.6342 20899.0762 97488.7987 507.0121 34057.2069 1590.0274 74969.8130 27606.1833 131696.9970 98973.4637 33613.2789 12650.3399 33905.8850 163045.7890 109639.0015 44267.6898 278.1300 916.1331 6489.3002 141218.4749 4024.3346 21663.9255 cAMP 259484.5009 533676.7405 348667.8989 466361.5123 502722.8651 331954.4475 162273.4594 157123.2417 789158.3712 1470546.9200 1663940.8760 907732.4434 231089.0027 234868.4419 397401.6009 738597.1854 104930.7022 213374.5957 338044.0439 201595.7619 480443.9214 205403.5276 235086.0454 81643.4926 356010.0746 715781.5923 186469.2723 101321.1135 762150.9507 646867.8136 172423.9637 1303970.5740 918087.4743 441725.2989 349779.7019 404266.0274 275298.0239 87303.3110 418665.6479 638551.9349 140564.2221 202920.2670 103558.3710 150891.4204 131406.5036 207681.5137 277962.4414 584270.2258 104329.2183 709527.1703 174278.6022 651319.0819 224513.9770 209130.1607 368870.7882 335306.1278 222556.6383 239098.5610 371008.0210 293663.4980 640421.2281 297881.7326 298032.2504 866010.5277 274601.8419 942377.2840 860825.9214 444022.3676 317942.7841 406439.3625 227489.1044 333143.0118 407075.4936 275541.7244 99346.7231 132604.2984 207718.2792 403602.5568 527536.1279 398090.7261 330668.7604 183806.0303 470015.1061 126076.9072 379693.5652 1388049.6340 307203.6116 736223.5653 1001693.9960 536480.9917 1034607.5910 657693.0278 323721.8787 62337.8078 405208.9640 333833.4321 360027.5465 252047.7604 229298.7980 102370.8879 655898.0928 904473.8134 115207.6521 177715.1291 177517.5654 345899.6736 249192.0975 370895.6125 457495.1934 348719.4254 166585.5346 342708.9387 Carnitine 181473150.6000 8948040.3590 32403821.4900 148335349.9000 1595102.7980 22777581.2500 97982963.8600 4643739.9590 503835.8089 1107516.9400 47389151.3900 788956.0427 73525792.5500 97965867.9500 17796916.1500 156045698.0000 86468127.9800 87789235.6600 38790018.8100 136056176.8000 9574028.2210 5097696.7950 131112800.0000 23028209.7400 116094221.4000 1481787.0160 16904757.1000 481400.3821 961322.0795 2942744.9330 21095097.9200 576847.3552 168326279.9000 46405608.0800 39943099.4900 3598285.7900 1793355.9010 41734192.9800 43092667.1600 10581521.1000 3079585.4010 402814.1582 11455303.8200 21188078.8500 24311877.9500 52599974.8900 120837690.5000 35110304.3300 10057411.2700 234781.6810 2209031.5580 64183347.4000 726604.5954 9668408.2440 1051574.7340 17146397.1500 1295497.3730 1546312.8170 116962270.2000 22063952.2000 13055118.0500 53218465.7900 94317354.8800 8127384.4230 16000385.3100 61317384.1000 971430.0776 3383216.8910 122730460.7000 96113374.7000 100398362.6000 155584226.9000 120438481.4000 78690546.6900 105523128.5000 4865238.9990 8918062.0970 38510755.9000 17094615.8200 92068166.4400 149797405.6000 43304457.1600 138935450.0000 26282468.6800 94634298.4300 22004762.3000 115395856.5000 1742416.9040 30527510.3400 84657449.6800 178095636.2000 30033627.3500 10686394.3200 1606986.0880 6481177.9640 57149716.5500 37705256.5800 79277242.5600 2824016.9930 830481.4502 99216541.6000 40516363.0400 54911589.0500 69101373.7700 2818941.8380 2569714.9050 119409674.4000 56117806.0100 92758306.7700 41426648.4900 10170787.2400 139261323.9000 Carnosine 28533.6309 13928.6510 11051.1906 19943.9672 20408.5086 26220.8163 16780.6619 29017.9608 50270.3856 49516.0855 334523.3531 19421.1125 24465.3502 13681.7622 21452.4486 21800.8715 10685.5417 62738.0585 30000.1570 31861.2393 22720.6820 12548.8890 18028.7486 2358.3152 37945.9554 14571.4286 15456.9286 10437.4249 52439.4796 99573.7068 37626.7001 36136.5132 37219.4382 75653.5764 66238.1524 78149.0518 22828.0295 8309.5561 271623.1721 27495.7054 6121.8760 10267.1901 17866.8860 17166.2568 18090.6211 7283.2329 29416.3312 34174.2576 8785.4860 25753.4681 23907.7840 57957.3984 121819.0300 23617.4516 122405.8942 68576.7342 31285.7039 362607.7787 58078.8907 40392.4828 43749.9955 24021.6826 29168.1941 35863.9081 32705.0077 42822.5436 17161.3930 21449.8489 12683.9809 48837.8694 65296.1682 23318.7813 51279.8440 65390.4371 8680.6075 13145.3530 58603.7132 32377.7279 26390.5025 30292.5264 70517.2602 52872.4654 35543.6674 6454.8056 36669.6400 56033.4511 22050.3730 42349.3503 16189.5572 38820.0656 47739.1835 80596.2799 21665.2642 20617.3874 23010.5524 10454.6210 30473.3773 15285.2255 27433.4690 9057.5305 45611.6947 49644.2641 7193.2475 20643.1852 29198.6219 34194.5810 17738.6704 36585.1984 111609.1563 21746.4286 10833.6480 20740.7736 cGMP 64744.9573 113558.6281 47241.1783 42952.3307 34136.4560 54660.4482 50775.1787 67260.3837 92985.8966 286227.2570 128937.2641 260120.4667 46016.7930 9433.8632 49686.5555 33551.9960 37893.4455 51715.4805 157974.0617 32799.2121 306371.0412 44053.7331 56334.0464 11127.7899 44471.3168 9690.2590 46270.5303 65451.7740 37612.6815 82735.1409 85612.9654 97407.9471 34913.2871 46103.3776 10808.8505 16926.4000 33532.8020 56166.6993 15200.3545 10639.6871 12974.7230 32317.2874 43757.2603 13862.2182 23418.4956 16869.3684 189678.1410 16227.2211 54106.9194 28878.4370 38306.2694 22233.7131 27685.0525 30406.9494 26138.9274 66007.2219 67824.7317 91702.7263 55959.5041 20544.0473 4557.7443 25544.5157 303465.1324 87362.7998 24344.7553 60489.4345 16467.6241 34671.3880 113618.5738 96664.2248 61098.9103 28058.5814 7639.2463 54983.1294 37330.0677 28954.2641 104742.2419 86732.5978 17467.3818 141128.9369 12655.2374 37835.0128 111576.3658 41607.9558 118877.0573 65653.9045 31861.8797 123170.0112 68156.8455 50038.7110 6156.1584 117355.6872 97528.0680 47378.7044 48437.5867 46394.0263 55591.8171 70407.4630 144398.6183 27066.6637 40884.3864 19877.9682 24171.9931 77655.3893 136358.3621 15471.7775 47625.4102 30788.1899 49108.4543 Citrulline 352995.8472 58967.3889 79308.6563 369011.3623 46916.6963 602636.4119 72483.0444 130271.1855 399714.2700 251715.8258 140313.5053 977699.3466 636702.1705 199362.4233 424674.7720 118225.4259 170732.5737 739280.6079 164503.4516 73537.8062 31461.7364 14631.6659 132989.9827 88722.9772 40462.6184 58182.4152 298643.8155 786005.4559 93937.0678 203319.9621 179364.1049 396358.4652 92631.3721 98329.4596 82195.0374 102035.3715 117085.7231 45625.4028 31281.9945 24363.2972 27779.2424 92183.7051 94259.9480 1079298.5320 50912.7782 80281.0004 364934.6853 38918.8873 211527.8769 42411.3205 435600.9968 35515.6673 49086.7909 215697.2606 140704.5720 228216.5362 374382.9328 371874.6033 55280.8579 271637.7848 125945.0299 77825.3912 218496.0642 59491.1811 231579.1311 81293.4072 418866.4392 254948.5419 307129.1268 579926.7937 129625.6964 59907.0043 289251.5678 74542.3379 1290114.9580 212482.4028 33145.7341 58403.5177 18966.7769 182986.6227 126408.7224 126136.7773 107587.6774 202674.1817 200709.6765 199167.8823 307747.8945 42467.9192 134059.1150 183901.7988 152318.6325 132392.7984 164068.6235 64371.0220 229369.8815 126649.6934 2149382.3160 23041.6049 133385.8263 548320.6902 160351.4898 82834.9790 137096.2258 59276.3442 228203.2024 Coenzyme Q10 67468.9337 35489.8827 49360.6829 44905.4460 55729.4744 21011.7099 26359.1044 77519.5002 30817.8330 42320.3657 37584.7544 30993.3334 21447.2355 31731.7366 35255.2890 102159.7673 20375.9446 21157.1295 40059.9571 21602.6213 28031.0165 22357.6694 40454.3683 11827.9093 32734.7011 42493.4094 13300.4122 24359.0823 74100.7376 28473.6443 26187.6900 44590.5591 22781.7654 36619.0948 21745.2448 20286.6541 13895.7830 6721.0703 17732.2670 75147.9391 12390.1278 17210.9370 13782.6532 12026.4211 21852.1622 13855.8258 35159.7651 24343.7642 9839.0529 16934.9908 16977.7789 57213.3827 28687.4007 23353.6746 15960.0678 26797.1943 20481.2012 59287.8564 22439.6670 16266.9084 35214.4756 25051.4078 29859.6101 36718.8931 47345.0794 51881.6993 45549.4904 26291.8088 32217.3819 19265.2387 27504.9621 91017.8293 75099.7475 21795.0330 35440.3452 20586.9784 31265.4515 18693.8540 23770.7454 41248.8740 32167.8485 22019.6221 31306.3029 15610.6254 57899.2701 46928.0078 34698.5861 48413.6853 65469.6003 53231.0976 58933.8224 61208.6820 45851.2196 12742.5639 22034.1783 36843.4805 41104.6363 29051.2009 24925.6106 18625.9261 37139.4564 36861.8569 13140.3322 31740.8984 30708.9765 19553.5502 58181.7727 30240.9229 73392.3780 20510.1205 17071.2418 57069.6666 Corticosterone 6947.5484 2986.4512 8158.4095 4785.0188 3984.3332 9548.9479 5908.6424 2042.0535 1813.6637 1188.4634 5114.3478 2721.1947 1466.7728 2625.7724 2605.2700 2696.2974 4403.4108 2235.9990 5329.8377 2430.2155 2985.3682 3334.1656 3803.9688 954.1279 3711.1664 1986.9233 6077.2836 531.6664 10626.4005 2496.8971 2235.1750 963.1072 6401.7017 2411.9075 1101.0127 1368.0808 5112.6295 3845.0087 3270.9896 2289.0249 4314.5812 2375.9195 2869.6425 13291.8726 4609.4434 570.3089 4564.2921 797.6510 7578.6526 5823.6323 1048.0796 3768.5700 1079.3218 4516.1904 2358.7365 2639.6470 4882.9095 4229.7232 3084.2544 3957.7139 2633.6875 5818.0462 907.3640 1991.2603 3745.4617 2097.7398 6883.5530 2158.6091 55995.7172 1583.7474 732.6278 3739.3234 3740.1279 5908.6627 4120.8773 6839.9592 5034.7458 1833.2408 4488.7606 2372.7891 6257.8300 2452.4016 1305.5711 2102.1816 1707.0810 8618.0092 19311.3229 5989.1502 1967.9512 2587.0663 17520.1232 6774.9723 9252.7563 1452.9503 573.5076 487.9814 3342.8858 4466.1707 5985.0477 4155.4452 1017.4678 2504.9386 771.1941 6099.6877 3553.9273 1951.2614 1621.8179 2117.6688 2284.6558 4966.6495 9484.9301 4042.3052 Cortisol 21-acetate 1737.6826 2268.2849 1156.7653 2960.6998 1539.4605 5895.0737 6577.9144 2133.2661 1279.7055 2844.3837 3461.5316 3999.7828 1457.6796 847.1818 3919.5139 1426.2511 1840.6547 5545.6747 2909.2658 2191.7731 4153.0044 6300.5025 2110.4240 725.1345 801.1262 2763.2163 1775.8057 2041.7526 10782.7427 3074.0306 4614.0794 6498.9811 8680.9158 8464.7094 7097.8136 6053.1695 8443.4865 2768.5586 5519.4604 1662.8065 5143.1310 6408.3042 3111.3050 4691.3548 6400.8286 3443.2004 9410.3124 3287.9414 5132.7539 10407.3327 1327.7814 7515.6275 2448.8090 9000.3239 3929.3014 6704.1074 10223.5790 8459.0945 4698.6812 15373.1462 7715.4432 1496.6764 2036.7559 1090.4568 8703.6334 3164.4904 9444.9693 7357.4472 1411.3934 1490.4452 5493.0633 3142.4819 6430.9394 18069.5379 1486.3872 4373.1460 30914.8106 7207.9432 64789.5438 11438.9499 1820.1028 8563.1102 5635.1144 768.6073 2578.6310 12003.6841 3911.9540 8452.0648 6414.4688 5095.8732 28932.5071 8779.7201 2964.5859 1355.4591 2378.7407 899.0005 5247.9389 2513.6409 5923.3621 5511.8214 2100.9660 10580.0667 1224.8808 5767.2950 9549.6956 5999.2749 2108.4906 7222.7733 12055.8280 3076.8263 857.6047 1801.7701 Cortisone 3954.0809 3758.2998 3634.7271 989.1336 190.7696 4003.1626 2370.7677 1981.7482 753.2211 11497.3773 1097.6990 518.9337 793.3373 4254.1254 4173.5142 3711.8883 4686.5964 4784.0960 2162.0457 2940.6772 2819.9618 3677.0890 5768.4055 248.6767 2172.7977 31377.2245 3130.8775 17652576.6500 29486.8401 1704.1623 5903.5013 6864.9387 5733.1870 2992.8087 805.1509 1679.2514 3928.6214 3837.8232 5325.0482 884.8645 977.2118 4540.6840 1087.2692 3916.2619 4290.7648 7138.3312 97120.3034 3905.4055 1665.3188 2599.4882 3416.5592 12239.0155 3833.1594 6323.0644 2690.1843 2538.8011 2666.4280 3286.0844 1822.0126 8887.0566 7525.3503 3032.3245 615.6932 1366.7780 5381.2081 1004.7920 19235.2683 8440.9123 2547.8549 2515.8645 2636.3654 2412.4602 9418.2115 2615.8796 4168.4375 3172.5755 29793.2502 3629.5802 83403.0900 3175.6338 2353.8542 8589.2298 10791.2998 1224.6658 3179.8907 15054.0683 4231.3572 3640.4205 2575.2860 540.2725 6455.2156 9544.7372 4829.7220 2979.9947 4161.6165 1238.5853 11916.1470 3337.7314 1543.3872 3121.0164 1381.4915 4011.3977 2042.6507 1860.5825 959.8821 6237.6231 508.3537 1624.4972 5284.0478 2080.0644 858.2091 2785.2382 Creatine 50485704.0700 110296654.5000 49606926.0800 60143950.0600 128325638.4000 8591358.2370 19521053.6700 17443087.5500 26484159.3600 62258241.8300 20638945.2700 97188575.4600 4304761.3560 46372952.4400 3047554.5010 84016389.6000 53751424.7600 1903209.1630 104138510.3000 8091137.9030 65335087.9000 1072497.0680 5624246.4180 1364286.2390 8054464.7040 19265906.3600 2290291.8630 426494.1176 3312839.9790 7115453.3460 1267152.4140 5989336.6170 7763620.4370 3843228.0480 1778524.3760 4564642.8760 1558865.6370 1386617.0010 530492.3708 19885087.8600 732717.7124 2796998.2250 1339410.9050 863259.5696 1692864.6110 1949490.1130 57539104.6500 6783062.3730 711058.4156 18286894.2800 9153512.7950 4573017.2030 11991322.2400 3965475.8910 4082502.8790 1809392.1540 1747903.0710 10007357.4800 3300535.3930 3630664.3270 17318908.6100 2839494.8150 2291752.0250 7181305.7000 571813.9245 8919472.7730 16014638.3500 379034.6821 860496.2923 1733701.1130 2437186.4310 3748893.9240 994907.3051 47289775.1300 8112402.5890 1024503.2370 925579.0099 10745570.2800 29052896.2700 17775282.0800 75147883.4700 16876936.8000 16137388.8100 970692.5424 37330336.1500 73580912.9800 15054546.9700 10467245.1300 85906934.9500 2948369.2950 56377079.1800 8604108.5580 49999845.2800 430953.2832 4946191.5860 47363050.6400 3441492.9640 8956180.3690 2516877.4240 1150404.0620 1015357.4210 2403955.0380 1340813.4260 427898.0060 2644119.0450 7288990.6980 826231.5862 1468891.3690 6338525.8760 1487049.9660 8604653.3480 1010118.1470 Creatinine 191198901.3000 139771164.9000 195770836.3000 214712940.7000 306070113.9000 181942851.6000 153782674.0000 221717813.2000 309532918.8000 293070629.9000 231968751.0000 190555462.0000 150346790.5000 127571268.5000 282952266.3000 219295535.1000 119267465.1000 105559757.3000 167465934.8000 171159656.4000 202301279.8000 151824235.1000 151280369.6000 61669073.9600 186433763.9000 197039548.1000 115678179.6000 82891975.6900 324983699.9000 271447100.2000 147085637.0000 416110083.6000 301913699.7000 296523084.5000 193991402.3000 195929167.3000 145627452.8000 103644307.3000 169692402.8000 316344085.9000 158981673.2000 110615834.6000 109396493.4000 101074571.6000 144356660.7000 151015080.3000 183165853.1000 216668951.5000 79544101.6800 296002699.0000 155070297.9000 323028316.0000 181165100.5000 148851807.5000 173696265.7000 190018435.5000 160108351.8000 244860880.6000 184274468.8000 164083661.7000 260506621.4000 177961766.4000 205336098.4000 271312631.5000 178952181.1000 158238812.3000 291361927.0000 177431609.8000 218602071.5000 133235369.7000 240524470.5000 204144975.9000 204590723.1000 137358569.0000 104847678.9000 108016633.0000 156514022.9000 217395247.0000 105095513.6000 212228455.8000 181820941.6000 72619440.2900 186338501.5000 75690616.0800 233502820.9000 218089363.7000 206223679.0000 271723229.2000 232007540.1000 212406258.7000 208000000.5000 253865929.8000 217379770.3000 57269123.7100 168418706.7000 180413832.4000 164485756.7000 127387036.9000 133009147.3000 117084607.9000 237218483.2000 196198096.8000 73681208.1700 163851730.9000 111455608.3000 160736922.2000 175187837.7000 195315463.8000 229822582.4000 116022993.8000 104864748.5000 208561743.0000 Cysteic acid 6761.5734 30204.0187 5763.2788 20450.1031 2591.4147 18376.5088 11282.0016 10907.9096 10362.5340 12589.1572 17803.9722 13178.7064 22230.9806 10564.5511 12702.2185 4618.5716 30619.7437 12240.3710 13485.5367 17635.2526 24223.0966 22930.8060 8438.1778 19409.7401 7125.3561 13289.6410 9439.3643 7383.7161 2466.2684 24358.1896 15266.9896 5912.3890 13579.7854 7377.1214 9388.1953 14048.5921 16811.5770 8065.6740 8827.1171 4815.2497 10339.0117 6531.0840 10333.0742 15347.6024 8163.6895 13389.3345 17929.6907 24351.8215 13470.4222 13118.6024 11070.3636 8689.8099 13094.1214 11030.5527 13286.4612 12375.5401 19635.4581 18352.8936 11880.9087 11588.6535 7304.4442 20968.1954 16675.6324 9132.2963 6332.5543 6238.1427 9639.8304 25082.2351 33145.3077 19909.4942 9929.1576 5230.9708 11695.9569 18757.2313 10977.0428 12162.5233 10417.7260 18690.5217 26519.5283 6793.5616 14564.6508 25489.8776 10969.4547 14573.5561 3899.7247 11192.5975 8516.2971 6212.0151 2745.2519 18443.2142 14980.2892 4873.3320 13270.2041 8374.2038 14669.6631 14057.7039 13767.5812 13675.5542 11307.4079 4127.8193 26444.9616 20212.8610 4127.6048 18816.1325 10389.9556 16868.3151 5582.7918 16186.6288 12023.9703 37694.8386 8969.4683 3294.8884 Cytosine 15707.2777 80916.3679 171770.2850 50754.6697 54855.6218 91727.4830 66399.2424 44153.2410 31042.4839 72090.1763 1112242.1790 80409.9536 99365.7825 25084.9107 29454.6327 50294.4028 68677.8175 237398.6425 61078.9231 39263.9061 62116.2381 48656.4711 37811.9077 17007.2607 57115.7901 188512.8892 44471.7713 18725.0507 137130.5718 56522.6209 54084.5843 57610.2636 37292.9429 77996.4454 111532.2525 27744.4408 85372.0380 21154.3200 92469.0095 58982.2132 19659.2234 96248.5712 27476.3630 58027.8566 73482.2945 33339.8944 128537.8447 88421.5891 25078.0686 114447.9497 36026.8629 27786.0229 197981.4249 147078.2881 43374.0045 53125.9294 14265.5066 150884.5493 91883.5077 172146.3690 63410.5127 56970.5551 45630.4291 71348.3740 91341.6029 180405.7828 180091.0700 35947.6395 66998.5363 188203.8112 29634.7256 59756.6969 53828.4215 119204.8849 9821.8480 31974.1883 130963.1688 116374.0024 74808.4008 104540.8308 92017.7124 123405.4741 36227.3785 43296.8833 61949.6400 35571.6889 95738.0354 23292.9303 70213.4153 36735.9452 135559.3006 66184.9694 53366.8343 60803.2172 144661.2411 45497.9619 23968.4538 24103.4764 72497.7212 83339.4862 42094.8343 45389.3434 25780.3941 257656.3320 104466.7217 66992.1215 56243.9414 33830.9560 81557.4597 93354.8019 22037.6359 65707.8502 D-Biotin 20024.3265 43535.0354 30559.5155 13285.6589 137197.1275 103510.6104 18027.0905 84072.9082 24343.4606 205274.6087 368447.2078 67633.1049 14059.1248 10137.4816 34950.7571 60886.8474 14682.8806 210297.7904 38647.8609 30470.9183 36581.3080 61737.4087 14699.0818 10309.6895 165991.4703 63970.9215 41218.2496 5145.2979 70666.8482 49326.5057 29079.5044 315491.3517 95226.5794 100239.1335 148892.1551 31441.6302 54022.8460 140704.5000 50639.5171 48726.3118 315398.9488 13869.0833 158020.7609 149627.4878 199609.3943 64723.3096 42624.3957 36095.1987 182913.1071 618073.4754 62241.7017 344792.8885 233728.9710 168162.5732 304024.9978 203410.6217 25053.9801 154269.4788 6831.0854 207394.5524 460101.9427 210260.3301 217760.0233 26041.0418 462541.7634 100071.1597 84781.9091 20127.1713 63077.3029 310351.0613 16612.4709 94614.2890 220103.8669 22761.1197 35789.7222 83784.2426 304347.3904 164910.9636 285098.2727 58628.7666 91114.1567 279554.0454 114871.4084 44604.3541 117328.2942 64711.6208 55831.9483 180710.3360 37642.0337 47871.9242 287241.8857 142349.6807 107478.3294 93752.4395 789340.2905 59682.9676 187771.2477 138496.2119 302951.8968 18040.3981 200450.0511 19644.8813 50402.9597 168359.5683 13926.3630 238159.1674 62956.2630 135054.6086 86656.3001 269093.3537 50620.0757 102155.0679 D-(+)-Cellobiose 50230.1977 52724.9398 56144.5550 82463.1587 75530.0878 76946.8867 53321.6301 706011.6456 127212.1148 39895.2028 45988.1027 33627.1561 266661.2931 26261.7463 110391.9324 400127.1083 32876.7770 190157.0947 144958.5044 54773.2305 37696.7532 137686.6023 127606.4659 87886.7135 1265137.0240 66215.3504 42358.8924 31076.8068 72465.7863 32326.9084 93112.3587 59428.7152 539348.2903 49543.2604 76531.3488 174606.2011 63794.9864 29955.8390 90019.3496 96322.9168 72171.7169 48837.8696 55872.1894 87930.0082 66399.8632 29788.1656 147314.6372 88906.3967 42461.9788 3352060.1060 19754.6053 138911.7348 32457.8032 61153.2210 81912.0964 88384.1683 149656.8086 35213.2801 31838.5997 1347553.9530 64060.0913 66567.9459 71341.4987 82813.4975 174979.2365 177630.8554 120363.5081 94210.0367 117913.9963 109186.1301 133385.6054 97525.4474 224658.7336 85757.1683 60605.5520 119646.4007 64878.5164 108765.7062 194530.9931 115380.1418 88504.4418 378141.5769 155176.3719 142422.5253 64050.4460 2773821.6920 100853.9333 187500.0473 356309.2061 125969.4325 350747.2938 110764.0359 39544.1827 50439.4974 53539.0648 86775.9505 141230.1197 87926.0765 117142.5865 96969.5465 80167.4068 71158.7633 39934.8685 103688.1014 57410.3743 103266.4169 253461.5625 217639.3598 92596.0957 103211.8886 65409.5090 102124.9768 Deoxyadenosine 23904.1080 9329.8400 22600.9296 144504.6259 118531.0136 20605.8670 15886.7514 17241.3194 76143.5721 94212.3734 31769.1740 30083.6569 9936.8800 10355.7519 45258.0491 25584.1195 10839.2807 10339.3450 27215.9253 15507.4346 35890.5629 16521.9514 24835.2114 5253.7986 10341.8101 20665.8127 7381.4299 3846.3872 40555.3523 26103.9237 29180.4272 57579.1220 51853.3420 26998.9560 14386.5974 33578.7068 6468.3831 3676.0044 15434.5642 45189.3828 9133.2456 7619.2362 5276.4910 4536.7864 7091.7395 2204.1253 24166.5650 16031.7720 4139.9087 43905.7485 7590.7515 35752.7689 10317.0756 8900.1778 11166.0391 18242.2717 10033.2777 17193.2800 11068.8039 13435.5492 35238.9435 12843.4674 13023.2412 36074.7588 10302.0943 15092.2367 36493.4682 20011.8642 26773.9483 10128.8844 21295.5558 19146.0827 26856.8303 72125.8028 12632.7185 5411.9609 13082.2492 23545.2342 12320.7956 29224.9914 25290.0940 6001.4802 47346.9386 5308.2145 21497.6469 30899.8211 22620.5793 50813.1509 55259.3527 18706.0893 83820.4553 18345.9785 37456.8343 5972.3268 16933.4049 11192.0427 17404.6381 12368.4024 12300.0211 11760.2445 26161.5268 34195.7740 7648.9013 12838.1331 8845.6821 9173.3122 11352.9968 51910.1565 24367.2101 7900.0336 9287.5700 14736.9869 Deoxyadenosine monophosphate 3562.1153 5983.5322 2979.6189 11527.7483 3169.0091 2790.5779 5280.0673 6668.7894 10410.5607 7726.6568 9572.9875 8701.1173 4055.1965 3787.4788 4993.4490 2267.2474 3230.2243 5227.6290 15659.3643 8303.4159 7157.1878 5427.8482 3777.3278 1161.8288 2263.5818 9659.0762 1098.1592 932.8330 4941.3513 12740.9724 3332.1953 10228.0923 11660.3646 5452.5476 3713.8842 8463.3569 540.6862 272.3189 5250.6487 1964.7388 2797.9873 849.0624 638.7776 1090.2956 1599.4131 2234.6469 5840.2823 4338.4385 535.5479 11708.6232 735.9754 3292.6025 2161.8699 1716.1030 1649.0032 4238.8007 2336.0019 6194.5050 3219.5019 3611.2973 7155.1613 7326.4624 2610.9108 4935.3047 3126.0488 5257.4510 2321.5359 5127.5802 7139.8351 2704.4114 4450.9404 2467.7187 1955.9371 3547.2183 4984.1012 385.2975 5348.4651 3891.8534 4715.2600 8245.1822 4989.2148 1311.0976 12201.5042 446.4123 1930.5075 10318.2715 4604.1530 3987.9378 3456.2020 6303.1232 14524.0981 2057.8122 18595.1193 564.9666 3465.1832 3499.8611 6220.4291 2403.3917 2045.0553 2363.9962 6569.1569 9702.7908 893.4332 6249.0606 607.8013 1754.2376 1300.1108 8061.1760 5867.8012 3649.6097 2248.2376 1917.9957 Deoxycholic acid 2226.1578 1962.0234 1388.1801 1664.8157 3054.5458 1403.8523 1172.7458 555.9528 2067.0232 3063.4198 2569.8115 5921.4097 787.9295 1110.1621 3120.9489 1473.7022 679.8129 682.2171 12730.2161 309.7716 2056.1140 685.2816 1060.4949 540.3811 1036.4426 3372.8673 933.1724 425.3845 294.3120 837.8683 1640.9939 922.9822 1473.7981 3200.7535 1443.3531 973.9960 412.8551 300.0700 988.9963 2223.3614 10169.0685 313.5816 760.6914 535.3804 336.1748 72842.2748 850.7062 4964.4460 352.1664 1738.3099 139.6722 544.3083 998.5435 392.0994 3428.6112 1868.3367 732.7579 1567.5442 554.3773 2014.9200 1888.7102 673.5153 564.6376 1584.1346 238.3534 1488.9981 1032.7447 14839.8425 2404.5982 1128.8894 1583.1281 1240.2433 1594.1708 4257.5961 1114.1422 385.8107 19270.8665 691.3324 86273.7518 2498.3263 1561.5880 10503.2245 11808.0566 785.9965 614.9980 1722.6384 12097.8096 3239.6976 356.7978 2338.3056 3392.8447 286.3390 1588.4719 474.7215 666.7315 1164.7088 1907.1218 17644.3176 516.3727 1214.1983 5303.7333 2823.0216 706.5962 1873.0318 302.0552 229.4018 1172.2737 4807.2745 294.1168 881.5832 969.6090 1359.7033 desoxycorticosterone acetate 3488.1602 42899.0253 10324.1728 D-Fructose 6-phosphate 1789.2271 2303.7009 2159.3712 3445.7223 7425.8905 2953.6097 1940.5336 7684.7615 11509.3844 85707.3683 2394.2387 2240.6827 1426.1136 5101.5661 854.2919 2445.0974 1243.6653 8008.9989 3398.8324 2519.1313 1721.8556 1292.9218 264.4082 476.8385 6798.2225 977.0353 69.6368 2097.7144 5187.2082 2995.1350 2846.4687 4603.6505 2528.7943 2002.1039 2415.8127 1063.3763 160.8081 3028.8891 2340.6461 765.6277 639.7216 240.1912 801.3733 449.5508 688.7627 3591.9255 3622.7590 795.0334 4873.1666 706.0254 2059.8578 1291.8495 1010.4295 786.6618 2130.0700 1585.4598 5025.7478 808.4285 3777.9594 2475.1867 3016.9676 3374.8530 70766.1398 2207.1984 4146.2915 4769.5113 1980.3329 2294.0848 806.0670 2024.9463 6045.4361 2275.1851 2222.1469 702.0935 760.2077 1553.0289 2046.5728 1884.2480 8327.6183 2056.5837 1113.4203 2905.5186 80.3792 1230.4275 3755.6073 2438.5505 9047.4643 4840.7467 15845.3659 5659.2588 1167.0412 3909.3774 917.2018 1542.5710 2292.4100 2519.4150 900.2218 1008.3646 961.2909 5392.6477 5578.9901 672.5717 2816.7297 248.2561 1275.1874 1549.9699 4552.4711 4864.1839 2609.3541 1012.1429 1302.3429 Diaminopimelic acid 4592.9099 29004.9595 15320.7288 51999.1010 7713.8352 38451.0390 61088.4042 32842.8589 51524.7735 7769.4008 6401.3919 16431.8381 7160.3209 9483.6297 6279.6436 6832.2083 4864.5741 7305.3974 7822.9427 24930.5140 13345.9056 11340.7852 15631.9622 20796.3985 11112.4714 16163.7882 27297.5233 5841.5046 7262.2534 7423.7930 6973.6953 5356.1152 8002.4511 3471.6852 5800.2499 8422.8712 28251.5515 48182.9996 8284.1169 13455.6303 5954.1344 4622.0574 13085.6856 9603.2238 4925.3372 7434.5796 80003.1660 11266.5678 6010.7830 18211.3642 6052.4617 11137.5896 8603.0960 13444.5788 6025.4342 29283.7488 19679.5698 11643.9851 18075.3658 26132.7149 5686.9112 6825.7341 15840.1650 9482.2181 13318.6723 15466.1098 4383.6612 19841.5750 5068.8186 36385.4033 13667.1912 11823.1790 34912.3676 12509.2419 9654.0215 11531.1516 7807.9242 20113.4464 4793.0773 4510.4781 33304.7801 5459.6706 26926.3534 9259.8009 12466.3139 14133.0101 16986.8223 11065.3184 4748.2866 6876.1211 30340.2362 Dihydrouracil 70051.6548 26265.6543 16750.7666 14742.9550 12846.0526 4920.6505 25772.7601 31144.9771 7076.5041 15085.7932 23785.1198 24891.4390 16342.8605 8014.2225 22123.6986 8609.9488 14429.0732 37934.6893 6829.1172 8432.3930 21242.8335 16548.4238 DL-Homoserine 2480028.3910 3417156.4270 1324933.0190 4900380.9000 1500719.8720 1211997.5430 2849042.0260 2355047.6040 8544557.3370 6769058.4030 3587693.0490 2856238.4630 2614217.3620 2309764.4870 8911918.7230 3270484.7010 2758049.0390 2319734.5490 4214643.3020 6695462.8120 1846770.3410 1475251.7190 1487967.3830 230872.2004 2200461.9280 8460722.8180 895253.1546 94606.0981 5095153.4960 3843193.4080 1619690.1190 9700014.6390 7595745.1920 2948736.6490 2120710.5450 2405228.4240 633907.1450 402420.8720 1780890.9400 5198931.1060 726547.4002 1193180.8940 129745.3100 851771.4786 942783.3977 1449670.1230 3726741.7920 3777995.5310 271079.6508 3419196.6580 407838.9677 2664910.2080 897826.5970 812183.4800 1217853.3090 2624956.1890 1994295.8230 1774032.9350 2302367.7930 2302984.5290 2699463.4950 3932712.0560 736137.8227 4725030.4780 5262046.8250 3982113.2690 2577612.4070 2247077.5560 3955329.9610 8095591.2800 6221904.8180 4483525.0880 6161255.6420 1833899.1140 1180034.2340 386939.5649 2438859.5010 2225157.8620 2280874.2500 1809118.4100 3115559.7780 350979.7775 3409777.3270 179577.5134 2504216.8850 2790710.5730 2165304.8950 3216556.9890 2063003.5080 4327014.3570 3555803.3190 2579831.3030 3014310.3560 618679.6476 2060537.4150 1807182.2600 3140770.3110 955468.3089 1431541.9640 714076.2320 6510304.5810 2846169.3000 571271.8499 4174296.1820 456233.0782 1020631.8760 2678146.2610 1080624.7750 4321168.7230 1688135.5120 1202088.5590 5949233.8760 DL-pipecolic acid 53675.4346 131150.9673 34133.5549 350633.7416 47307.2333 92791.1525 69187.0871 86468.7359 47696.3910 67208.8408 138523.2140 106510.4829 45676.7457 63078.3729 430727.3844 47994.3617 42193.5871 58644.4732 64452.4658 50392.5714 179151.0868 119813.3957 43672.6677 42068.2982 31682.7884 57363.5329 102211.9829 67575.7043 28193.7402 440813.6405 513468.1190 45749.8189 167754.1200 106301.6438 71783.1158 295998.8061 67676.5768 71834.1521 12801.1002 58815.9757 351852.6615 87576.4114 34784.4423 102725.7972 76495.2781 32757.3585 207533.6685 190616.2288 93969.8878 288525.6536 78783.6670 1110316.6650 77938.0063 61804.6022 70746.1645 78735.8236 127854.7836 45250.0699 68097.3478 77891.9525 59736.6798 245336.7897 511992.8751 78027.9137 52112.4582 63575.8645 683954.4159 20010.1724 40402.7153 243526.2909 191667.4789 33756.7851 20152.1102 101723.0506 35386.3587 30231.7571 48616.0222 53251.5503 421953.5594 85454.1559 25180.0268 53867.8908 348469.1984 46158.2806 36384.9726 148399.0661 71704.6083 106867.4237 60041.2992 362018.0372 143980.9827 148885.0422 38237.9265 94276.3067 51274.7826 85868.5573 62492.3954 209297.3833 110825.3114 20936.1058 862298.9672 248445.3210 60263.0730 123652.4337 53426.2391 24425.9910 44048.9079 97244.1007 131430.5464 39755.6495 32339.6833 20165.4915 D-Mannose 6-phosphate 3213.0547 4326.7638 3603.4590 4153.1792 8435.0641 3569.4526 1611.2961 443.5786 5658.7952 13386.1887 28123.9374 1882.8024 4515.0729 723.3480 7911.1934 595.2032 2616.4075 1432.4194 16352.8447 1822.5324 351.3377 1456.2007 894.9497 607.3959 1669.9251 6577.4945 609.2705 389.1484 3279.7115 7798.6254 7249.2485 4177.4497 3393.0815 2364.5054 2051.9855 3234.2199 825.8183 442.6075 5818.5397 3591.3838 754.7983 1026.5364 434.0138 1847.2674 859.5143 469.5287 4519.5885 2804.4857 377.3915 5923.8422 676.1533 1932.1342 1183.2004 1778.4882 1824.9046 1466.7412 3226.8078 4448.4076 615.9336 2916.4710 3124.0584 1674.9589 5077.4177 83172.0659 2331.9527 3013.4339 4649.4051 1466.3759 1179.7429 1289.5228 3002.7743 8665.2465 1618.2568 1552.6175 1021.6191 273.1993 1640.4796 1653.1489 1737.6432 13397.2047 3426.6751 1122.2207 1698.1792 503.1397 1215.5357 6216.8954 1549.5427 25091.3814 6922.1781 18372.0190 4735.1164 3448.4677 4254.3758 264.3714 3625.9145 839.0205 1406.6260 2140.5168 1741.1809 755.8182 3055.0635 4579.2922 1077.8169 1239.9657 644.1212 1783.1707 1704.1486 2461.9027 9900.7052 948.5600 461.7019 1693.9985 Dodecanoylcarnitine 29046.2139 55234.9108 17759.5952 108469.6699 139331.6853 16356.5042 10605.2178 74634.2772 81397.6585 41832.0908 40323.8898 45545.4979 12895.6414 25088.6201 10394.9208 28547.1178 77870.0627 9078.5315 17828.3636 11991.3843 107189.1721 22205.3050 5048.6400 7556.7108 60136.1014 8518.9594 10409.6611 14826.8547 7401.2048 39966.2487 15427.2551 44856.5194 14930.9613 6704.8204 3873.6931 13036.9084 68815.0024 12058.4160 7517.6871 2370.6758 6133.3945 10724.8085 20976.6362 14234.2097 35746.5977 11097.4163 8505.3724 9682.3555 5981.2888 5667.6324 9097.8780 4876.9182 13131.6239 16241.5225 5908.0507 19796.7164 23186.7302 16698.1540 50167.3397 3606.7544 12513.4289 22271.6676 19751.6644 38151.7972 12934.3895 4450.8522 9803.2001 24391.3999 77726.8962 14693.4782 3714.6100 6026.3627 9735.2167 27536.7986 92145.1343 57953.7991 49877.5596 7353.6059 20738.7884 39317.3268 14223.1676 12703.9902 27187.6151 146656.6842 19814.0032 14377.7437 3293.1573 11452.1440 16914.1270 30568.7150 5614.0685 6703.6435 81610.5932 13032.7321 77787.5109 9204.4638 4795.8744 7293.8324 4067.2532 3144.5937 18532.2188 8156.6300 9380.4691 6414.8182 16797.5417 D-Ribose 2005391.2320 2523758.6270 2930433.0440 16106135.8300 2048552.3880 1297266.5460 3481444.2380 12639245.7900 667592.9364 479113.4073 631160.4097 726219.8869 4049792.5250 1747950.3960 1298239.9570 651467.9499 2278367.2470 1204359.2920 2153295.4340 1229003.5140 2226688.9270 280852.8656 831970.0175 5178622.5660 385420.1121 290595.0615 5581044.4550 5407829.1600 1342062.9950 4076381.0350 5186626.4070 2290593.6500 1350228.8900 3170293.6410 172799.6382 1181231.6070 5378433.9650 929302.7088 304932.1439 384030.1897 356428.3726 569067.4544 1015637.0330 2259000.9040 263864.7750 6545075.0640 708294.8395 3330880.5250 890111.9705 750047.3083 902417.6116 633755.3170 511236.0744 905596.2009 787833.4663 1222849.0180 2600623.4240 1180204.7400 1103470.7930 2803159.7940 569709.6938 3616161.4280 3440550.8100 1524114.6910 2754119.7730 1134785.9230 1644988.0960 1284685.3810 1667617.5730 1056486.1410 894997.4796 354107.1006 1025064.0470 1415549.4440 883532.0798 1913078.7220 1874132.0910 274472.9242 2992286.3350 306628.8091 1318079.3420 2347825.7460 2183728.7130 4277139.6290 1258031.2200 5928406.2410 1627083.2500 2454651.0930 227391.8518 704809.4766 275379.5986 2141268.8530 1270547.3610 649168.0173 783747.8748 2851730.1020 5037771.8470 548524.0911 105054.2372 375654.9030 757196.9512 1936423.2720 570402.4943 2227643.2590 598990.4967 869825.9341 1333839.4760 (-)-Epinephrine 1311637.0160 3183517.0400 69459.8603 703738.0303 78346.8572 45800.8434 323234.0338 177673.5735 16130.8478 57659.9833 162735.7300 44622.4583 76719.9217 167075.5511 169970.7554 1012540.3630 51635.0636 221275.6851 1671126.3550 306003.4879 42260.9138 117763.0648 350690.6590 12546.0314 485212.1057 39590.6102 16647.3147 10752.0699 33464.3540 64890.2738 39168.0730 18654.9808 377813.3429 129964.0514 68633.1035 21932.5662 24780.1163 32081.3912 123751.8065 150295.7697 18241.7644 22072.5761 14841.8222 25855.4535 51833.3481 53283.5014 735066.9109 113984.3977 8326.7748 68125.5607 9051.0603 34423.0969 15100.9355 40772.0681 14045.2458 105774.7244 49134.9267 23234.9382 313346.3661 37121.1949 19300.9079 76027.2589 195266.9073 10902.3160 42093.2120 279238.8800 72233.9023 60371.3724 120928.2978 358693.2437 178815.4927 554022.6802 639506.3131 79645.1830 126085.7689 13079.5524 45570.0448 91031.8115 49019.5474 383245.8332 839750.8331 34253.7285 594474.7639 11211.1140 229660.9315 1775883.9460 373990.5561 82666.1421 1327063.3700 262083.9904 302302.9675 591083.6183 25145.9040 4900.3666 21857.6347 130729.4472 98252.1521 225942.9297 16895.0216 6798.8664 452695.6809 511002.7680 38127.8553 155661.0251 10256.6437 21154.6639 559232.6312 130608.5287 226615.4518 38701.6779 15336.7390 907707.7634 Folic acid 890.8314 2479.0748 5230.8702 4560.7701 2316.1454 1694.9574 28985.0695 4327.3193 1110.5219 5556.3179 928.2630 3581.3912 1142.9788 2756.8369 490.8388 1148.2841 2051.0186 906.4588 1527.7402 636.4257 1469.6971 17228.3174 2787.7880 20310.2586 1616.0234 4980.8108 2140.7433 177.1242 12552.5089 7928.8427 989.2392 7146.4498 2878.2220 112398.5973 948.1204 1603.1922 311.3422 265.0854 2228.2977 1452.3174 227.7721 6670.3215 669.8019 338.6005 734.2169 529.3960 824.9261 2987.2893 835.2054 2755.1540 481.2366 20646.8312 753.5539 1612.7911 2347.6621 709.9912 7119.8044 12243.9777 818.7318 1322.4573 10572.5413 2512.2150 495.3751 5239.0602 9832.9880 2048.7872 4713.3007 5408.4227 6247.1432 1424.2954 609.3769 556.2465 875.0986 5453.8870 1878.9806 664.6874 7194.3134 857.7413 5501.4954 6503.0335 1838.5985 4701.0097 5350.1528 362.6142 1307.4804 22129.8531 6599.6030 1330.3366 4064.4938 3894.3747 3981.2156 53935.0447 3911.6941 236.0071 752.5370 1816.8605 2236.9254 443.1387 984.9398 685.4369 2916.4504 2063.7133 873.6637 556.2024 574.8079 2979.6963 3533.5374 2337.0042 3516.0012 631.9542 2070.3757 9618.9001 Glucosamine 91468.6122 254228.3055 176276.9576 299152.4799 234308.2241 149931.2135 100399.2938 60356.7645 304456.4451 510117.2811 307917.4107 77277.8950 116162.3749 105515.8144 257499.2138 265146.5666 124126.8240 108228.4136 244823.9722 150413.3206 1026195.9810 71381.8624 110435.4080 16187.6387 110437.8266 205893.8310 98546.7232 22833.1631 216609.0561 157046.8556 135962.9611 269979.5926 328637.4032 249504.3390 147708.0653 150526.4174 58339.4574 49430.0344 133389.4617 213017.3003 81459.5617 76203.4077 31857.2844 48974.4932 51525.5276 85772.3746 222134.2081 242165.9374 71695.2120 437108.2523 42091.4271 296146.9033 105675.4243 106483.4607 90530.8118 96935.3277 153504.6890 150614.1593 90184.0664 122012.4710 299140.1954 148033.2884 203465.4756 636958.7751 249115.5297 192624.6960 526287.0884 98708.4425 67908.0117 114556.0956 213164.5902 215583.4215 250318.5037 133429.5583 92289.9814 46152.1733 72194.1037 180270.4035 246760.5805 272619.0129 224100.7200 60600.3512 243074.1486 32568.1197 136682.7805 231365.6576 269861.1046 350192.6878 225685.8553 288409.6990 257342.9118 190454.3335 306363.7742 62347.4278 150808.0035 53680.2127 297384.1303 84979.7889 97557.3563 52863.0064 361009.9188 505239.9884 42484.3119 148787.2133 62145.5550 106125.2983 73630.9951 335544.8752 252252.9882 193029.3046 49726.5545 128542.6570 Glucosaminic acid 33064.9961 44057.6109 32835.2310 34420.5238 30427.1425 33441.5686 56213.5665 27901.3815 176847.1867 95169.7218 66864.0508 31223.6439 41204.2366 8116.4882 161268.2359 18647.1950 14704.8257 29477.7823 39502.7226 26205.8328 281691.6887 23635.6829 37379.3081 7414.3356 26871.2960 38107.0975 10752.3618 9044.9139 32156.9677 85925.1453 64692.0205 80105.4005 102666.6081 88566.9821 58783.5034 71093.1768 25422.6497 5906.4059 43000.8007 66619.6105 24798.9263 3931.5485 9401.6881 14976.2520 14202.8631 10792.3966 23205.3897 50660.8918 18300.6033 103707.3714 14068.7405 114088.7880 49850.3858 34102.9468 25306.3347 29597.6779 38893.3876 37387.1345 19514.6250 35412.3233 102699.2972 21564.0072 61411.5577 77589.9189 34802.9719 48333.1226 182808.0542 27112.6939 27131.1557 46793.7063 198801.1320 55526.5928 51081.2151 31740.7835 19816.6725 6918.5997 41597.1011 30666.2096 42408.5011 33673.9765 46940.5444 14802.8779 202678.3047 8413.3356 36190.4398 90060.6253 65462.4283 71078.0110 29248.1963 57438.3811 82893.7404 49475.8162 75750.1428 9915.7876 25076.0784 38519.3755 78281.7610 43452.7483 38869.3030 16213.8936 99667.4024 92995.3325 10032.1964 26449.6895 10682.2328 35154.4908 41028.0951 39497.6148 57629.9554 30427.6713 15357.1010 34733.7666 Glutamine 2447198.8590 2033247.1190 1273019.8130 9512721.0770 1677937.6610 1158805.4430 3373448.8130 726389.5404 785358.6349 2782238.8410 6300803.9820 3750385.7070 3277111.1250 8503336.8000 137623.0908 5933119.0600 6071137.2530 2500087.8540 3549260.0990 9757027.9490 3894141.6360 559167.2707 2057280.6370 573949.7381 3473570.5910 2163799.4780 3286331.2770 6630902.5400 8782913.4250 1350804.6190 456440.5883 7965215.2270 7408174.9830 3036263.8350 2060480.8450 353572.5388 2575117.8530 4309877.9320 3386278.4420 1657251.8940 1834058.4960 820785.5237 1960140.2640 4928987.1610 11851684.6800 3785646.3470 1484490.2880 1732375.7640 1657469.6820 6875420.7200 1950483.3960 3267444.2680 1489568.4500 3499399.7080 4204849.5020 5239526.0190 4353221.3420 2929079.1690 8691237.9680 10386792.9200 2690707.2530 4719880.4340 5030951.3680 3846551.2440 4903115.8880 3058660.5750 3198500.2030 549728.0524 161041.4094 2933069.6410 4225356.8490 4060207.6280 1226063.1740 817024.0086 3495815.1610 3705124.1980 2252831.1780 3176589.2620 3579653.1950 718351.9445 4022963.4690 699864.4441 2769093.2490 4952190.3900 3750270.7700 4746577.7050 2627513.3050 4187331.8250 8008730.7910 4859343.1360 8131306.6460 1877573.3870 2770071.2450 160658.5849 2237886.6750 1612908.5020 1786914.0710 3947520.1350 6345751.6030 6064079.5570 856513.8013 7057942.9540 1267987.8490 2540893.5100 4193520.0090 4551769.6950 5911202.2580 2383871.9480 3525769.9370 3016540.7260 Glutathione 6190.8683 6098.9395 20513.8369 8384.6417 27927.9982 14352.5782 16862.2449 26189.3687 46150.2282 29409.8001 20260.6707 16397.0382 21856.1114 5312.6986 14920.6449 9265.9215 9007.4097 21569.9313 8126.0991 12715.0184 22099.6092 25288.5675 13253.7177 2790.7138 7413.8350 12813.8893 21302.4162 1615.3256 55509.5702 11241.9117 17244.9792 15560.2635 20098.4613 31516.3476 32807.9824 14688.4899 7744.3836 1869.9691 17912.7285 21658.5096 6069.0718 5764.9206 1978.9440 4896.9633 5771.2881 4403.4626 6958.2963 33471.4166 748.8786 13049.5829 2669.3427 17970.2848 8049.7363 18394.3781 12974.3281 10700.3108 26329.7775 16750.1737 9386.5409 8861.7279 5991.1634 15415.4832 13081.6555 8420.0884 42215.0523 19221.5075 11338.4040 54280.2653 17302.3801 32076.2840 10960.0850 8554.9358 38822.9803 18436.9119 8876.5474 2818.8395 16617.2214 10264.5159 11895.9170 6622.3891 9944.4212 5538.4660 15905.8917 2597.8292 10412.8536 10091.2649 27662.6943 10732.8998 7074.8486 15877.5666 29234.5331 4033.5798 5917.3618 7086.3050 2917.7180 8687.7895 20307.9550 12499.2900 65510.3074 5749.4196 29263.6178 17561.4736 2971.6037 12611.1344 2749.8055 10254.4997 7206.9829 7133.4195 20748.0565 11175.9785 4317.9042 19159.5378 Glycocholic Acid 21187.3889 17906.1176 27683.2269 210366.0618 22382.0012 139570.9735 40220.2685 8836.1878 24251.9728 35604.7536 81425.1271 39236.9954 14643.7075 374534.8645 31734.2511 31407.6786 11979.0136 58694.3775 32907.7074 14567.0203 27965.0573 384960.5256 52334.6957 37376.2886 29920.0181 26965.0936 11024.3306 18826.4529 42118.6776 25690.7993 488966.6495 24344.8379 34817.0715 56530.0335 32996.9999 23973.1800 27800.4349 20835.3009 42355.2969 36835.5465 151546.8027 6311.9316 34554.6785 17313.9278 29401.8580 75119.0403 58478.2373 4001.5895 27636.7565 27698.6382 25122.0193 70604.8038 25514.1022 36406.5865 29094.3982 20232.7947 25570.1508 34140.9594 36630.0020 41548.6760 89987.0981 16449.7563 25788.6679 107222.7667 24163.9625 74430.9194 44181.9887 19473.0593 37781.8163 17576.0224 39884.0552 44074.9945 63491.1619 34814.8673 28534.7019 28123.8894 22995.3804 71227.1591 4271.7775 49231.2299 16208.5419 44141.2361 82744.4441 18919.9965 76367.5872 10004.9340 96724.2801 36671.1718 43817.4549 22329.5082 36732.6388 35988.1805 32991.6914 22008.8974 181064.1226 23149.5487 63002.8411 21650.4755 28041.4260 27349.9544 19275.2873 20883.6954 12112.4473 33061.2218 48506.3755 31087.6961 33336.1471 98274.2736 19778.6724 67276.0406 21242.7038 78472.7411 Guanidineacetic acid 702185.0074 622900.4774 252048.3891 853809.7987 146588.1991 43463.8905 148971.9800 105885.1622 239684.9243 1000404.5960 320969.1406 1069154.4990 74524.1767 313246.5065 460750.6489 1017955.0320 152652.1603 142251.2471 1357624.7910 601185.4833 290183.3604 63992.2675 103649.5500 58346.3352 256556.9271 139031.1833 93231.9123 54576.5872 556432.5061 925833.9127 97413.4332 444482.9090 788523.0502 620879.8354 791850.0039 49302.7412 36743.5010 508240.0774 500712.1388 972954.6671 332044.5510 151428.5234 59948.2170 46676.6074 121465.1447 59244.9433 731591.4855 99617.6579 202414.0630 230069.1567 755029.2709 962716.0371 268665.9311 458311.9082 267545.0251 248588.1558 471331.5018 299416.0345 165164.7411 129701.5992 1671456.6850 193218.2579 251223.3399 156509.5470 289273.4964 209387.3446 2761435.9700 116433.7758 216258.0405 74539.8882 165314.8282 127495.9091 708425.7925 298091.0194 45262.5168 40135.0587 162181.4801 686320.5621 1167526.9440 586108.0599 756826.8105 358482.0752 306266.7795 36997.0519 547503.0859 819651.5647 445335.6447 681373.2804 735730.7499 291279.3735 23548.8216 299470.3757 2642286.1120 93468.3230 457678.9147 805825.5388 149788.2742 774919.4984 187479.9461 34388.6061 88083.6391 38820.2245 70551.3671 415338.4205 51164.7029 224142.3526 242051.1243 728018.5739 459446.2336 50755.2293 118851.1281 157286.0391 Guanidinosuccinic Acid 289134.0793 2812528.4350 77692.4628 739756.1144 6455381.2680 242063.4666 164970.4627 2337170.9200 5606261.8650 1566565.8650 1174867.0250 648258.4342 109631.3517 153459.3814 525321.4807 1872094.9990 191598.9959 283429.7509 3038386.3090 302525.3125 1503217.6010 2598800.5540 1231627.4680 38986.8913 350750.6355 318530.8923 396031.1650 26291.9211 2212250.0970 727329.6799 2012431.9940 2308726.6920 1562829.6810 893329.0603 694549.9952 463472.1361 222902.2269 284552.6710 240778.2157 3124809.5060 533458.2867 2202259.8250 55964.8943 727345.1406 535439.3233 36382.6860 394546.0319 1210111.7370 70913.6644 453335.0651 501509.3731 1634087.0950 2123601.0240 132291.4730 535666.0489 501285.8237 672369.6003 135655.2321 1614787.7610 120584.6622 410900.9077 536463.5820 882737.7209 240532.0638 702271.5206 461054.2832 1372437.1730 149626.7589 462705.7470 842958.1057 234678.4468 692806.5807 549586.9256 319641.2945 44400.1793 57126.3091 264511.0968 515461.3956 1075142.8040 262715.9942 278170.0273 97348.1655 740676.6986 46899.5570 376114.5977 12437716.7900 1370345.1100 5646361.0650 1699532.2650 1419437.5970 279508.0166 612797.9493 1212046.6490 411003.0925 731508.1069 1823105.8720 637674.1716 950740.2478 889855.2123 19594.2897 643118.1705 131338.6616 3028786.3170 265322.9705 48696.4699 87711.9379 806284.3943 418977.0225 694034.6074 149617.8431 70126.3733 990519.4572 Guanine 9279.1274 231567.9049 28072.1557 13040.8921 8503.4034 18015.9568 5831.3712 34330.8776 104191.3282 31969.2296 47016.0905 28577.6597 17464.0275 52990.0028 21961.3990 6646.2382 13619.4900 24934.5677 7328.6115 46468.2109 2338.5494 27987.5730 23756.3784 16384.6914 52078.6981 86875.5618 20867.7544 4021.8170 16247.5792 7608.2047 12859.6000 104377.1503 3383.3055 5113.0084 6975.4416 11041.2960 51066.1026 25836.3135 11153.5522 16879.3002 8069.7327 35501.9585 8786.7353 6301.8640 13995.6215 8787.9791 172830.1593 12120.0979 18395.1683 58922.9629 29861.9005 9114.6548 39676.0194 19107.6867 15474.6986 2578.4650 21414.6661 50554.6740 49682.7285 20938.7113 17347.7871 44810.4288 14218.8034 95648.1422 42115.4773 12188.2578 10098.4798 2078.7424 6272.4689 17128.2548 24391.6612 7051.9750 2857.2589 79128.2451 33107.5247 2667.7262 15385.3345 28628.1109 18940.2450 3616.3502 4507.5518 14676.9195 15873.2457 15106.5791 19350.1293 26302.0912 72651.5678 45999.0494 140608.2350 101367.4879 68541.8684 50640.9626 20858.4590 21833.6751 39238.0117 17323.8738 33031.9202 16245.9527 37452.0181 166429.4063 25077.3935 1532.2472 17620.2792 2416.0171 17771.6764 6746.8796 5392.0533 54542.4413 1278461.7420 4257.4835 2021.3103 28460.6399 Guanosine 15285.6660 10526.2013 16001.9380 47751.2294 42346.4428 10344.4515 22025.7369 142883.2923 81247.5406 62948.8553 6580.0316 20670.8595 9771.3391 17287.0122 28956.6216 30420.7046 21622.4383 10563.3625 82936.6379 22646.1601 80553.0164 10970.5145 12443.8938 14735.2217 9280.0694 18453.1976 16888.1850 5946.2494 12266.8208 11329.8846 7447.8450 11658.4286 30607.1805 19281.4108 7423.0094 12052.2113 1702.3872 5051.5452 5899.3453 26302.2227 10227.7055 21700.2288 2471.6636 4149.9553 7527.8793 2896.8991 45331.3461 15864.6350 3827.7303 21702.6494 6184.6554 10976.1969 9061.0872 7536.9258 7481.9004 15865.8672 11867.3275 17442.9408 21261.1184 10759.1489 14364.6138 19474.1835 8627.4233 24657.6451 10282.4404 6192.5005 38073.2508 5129.3645 14675.3270 4258.0399 15455.5255 14022.5593 9941.8868 16915.9666 6961.6154 6459.4239 7529.1876 8663.1042 18355.0235 20693.9158 7001.6721 9799.5212 23354.4905 4258.2332 9869.1572 6265.1963 21885.4242 24170.1960 9884.9280 49700.9207 44233.4293 5727.2464 16796.8281 16239.2687 13163.4050 31500.2899 9735.0639 7252.2533 10361.8985 7562.7522 29422.3698 7713.5176 17977.8521 8777.2144 6927.3532 3542.4511 11444.3588 39528.2707 26767.6163 8022.9764 11463.2102 12776.9608 Hexylglutathione 4151.5884 3918.5259 10416.2988 8105.7881 8633.0973 5503.5324 11143.2477 7826.8268 Hippuric acid 600.3826 293.6731 59217.2957 14858.0931 1892.5182 166.4479 6697.5081 772.8157 232.1889 4103.6540 934.9110 1088.5573 326.9099 888.7434 4567.4612 8864.5639 590.0024 4404.9780 463.1638 2048.7699 5335.6060 11410.1616 591.4082 74.1523 70.9321 237.4289 1016.4783 1063.2137 18105.2772 239.5638 71.2473 4296.0229 1552.2635 11684.5551 658.6221 2288.5547 8361.1218 3456.3595 254.9856 309.9144 136.4679 4160.6475 1443.8231 2083.8579 5405.5784 385.4292 8204.3691 847.5917 34.0310 1072.4248 5543.6817 80.9626 6751.0540 620.6344 1629.4253 8402.8775 8171.4436 5832.1847 233.5308 483.8654 515.5092 1385.2502 143.2786 7513.7229 3468.6470 7026.2197 4010.8222 1600.8024 7959.7412 2479.7905 476.6465 1638.7795 2048.6443 5997.6214 866.9801 4475.3057 176.9502 3517.8646 557.7223 3775.9890 25210.5623 72.6058 709.8147 12573.7164 292.3512 1647.5854 2121.6805 1184.7789 1621.4448 8141.5862 241.2479 285.7648 19215.1456 1423.2454 69.7844 857.1106 2764.4415 501.1980 1822.5054 3473.2175 229.0531 237.2510 244.8407 2272.1589 296.7923 605.2691 8287.9204 82.0048 189.0916 Histamine 65781.8680 34674.1655 83687.3318 180265.7485 83030.5422 75326.5115 63706.9516 179674.6966 376167.5706 114595.0752 188419.5903 193311.6304 77802.6613 89132.6991 143334.0892 150550.1858 109398.9771 97663.9125 344543.1485 36021.3008 178479.1286 36924.4119 40665.4284 91845.0134 64033.6917 9214.8319 131637.3392 87136.7560 44541.9880 104990.0651 248298.9183 254900.2126 84906.2755 224250.0365 89018.6478 102215.4081 160906.9430 123360.3898 92630.1130 103905.9160 63868.7124 35117.8080 105342.3195 94601.3028 76056.4269 232763.2937 70031.9050 110008.5078 118222.6855 130280.8397 158621.4143 135204.6986 90222.7803 205143.0849 43804.8805 367182.1005 204679.8635 89005.3548 156070.0126 387865.8468 67725.2020 101344.6002 181613.6066 126803.5970 163676.4827 170543.7580 292477.8916 63773.3727 86782.1604 63640.3696 49403.7410 312224.0357 75744.3746 42275.0083 76809.5739 314794.2101 398996.0575 95970.8503 206021.7064 60081.5407 131218.4086 29339.6397 91851.3444 156193.1525 240718.3702 195857.9128 72149.1503 67062.2304 1396502.6900 59275.8896 156325.0361 25594.1205 89821.4420 315384.4896 206170.1945 19816.7159 95760.0762 80280.8023 375606.5150 285634.2211 29390.1601 199741.8881 40186.6932 102382.3699 33308.1424 373742.1344 132331.1258 145478.3795 166783.4092 54447.7627 Homocystine 16656.1193 8426.4887 3929.9617 16305.3465 3780.0367 8937.4904 4894.7700 19451.9482 16198.6168 7320.1188 14818.1547 19746.3791 13271.8405 8991.1138 8114.3031 1036.5435 2761.0522 7355.5563 9254.1959 6514.8057 25478.3847 4562.2316 6540.3918 1686.9187 3846.6713 9305.7078 779.1766 1042.1280 8686.2865 10500.8736 7633.1374 14108.6437 17187.8169 8574.9769 9330.9140 14717.7760 2144.9882 690.4647 8603.6260 6859.7738 2380.3035 4197.1024 1665.6402 5017.4395 3744.0547 2090.5308 24478.2698 11417.6799 5106.6190 39184.9718 2460.9471 10888.0777 8002.1315 5707.9683 3890.0307 9655.8070 9326.3341 8492.5681 2747.1292 12629.7197 14251.5579 6079.2034 7354.2129 23897.7938 3386.1921 16975.1114 18487.8351 12141.4794 8593.6205 5408.2246 5533.9257 10470.7569 6755.4360 9831.0380 4738.7698 404.6199 4550.6881 5404.6223 11130.0118 6362.1706 11284.1185 5059.3882 6875.9430 4312.6500 6190.9507 11574.8977 6833.6792 38621.4717 3604.3294 20659.4348 21190.9775 5271.2951 8918.4891 396.4016 4337.7127 7090.0251 7317.2676 4096.5768 14498.8791 4465.0458 7107.8112 12574.1059 2004.9865 5989.5316 1374.2081 7437.2276 5373.3941 7956.5245 25240.4925 7817.9062 3058.0966 5784.6207 Hydroxylysine 109277.9000 590041.0771 41008.3640 798462.0455 56682.7831 46570.0518 232066.0638 15891.4671 67816.3540 139040.8646 1214804.0920 487520.3570 207716.9192 458693.7869 473313.5875 55807.2467 132959.1301 94839.8781 434511.3477 410904.4852 326526.3597 47255.4288 19310.1784 18521.4359 49715.0201 152320.8250 101488.1046 12090.6152 51166.4322 174596.0791 119244.3489 83563.4922 140047.3018 333624.8017 57131.4046 54226.2448 32639.9651 51813.5811 45893.4605 65882.7955 44322.1982 16365.6411 8872.9448 16527.6910 49028.7735 101091.0214 361526.3217 45931.5034 20218.9749 248864.0344 42710.9638 168657.6243 38874.2722 175869.5477 38931.1084 95264.0454 278273.8986 256684.1316 100105.6524 148053.2288 247638.5102 157413.8876 207117.7796 220055.4018 60854.4403 99623.7894 292555.0229 58645.1370 321421.3355 56078.1209 307976.9224 70728.5593 210590.5032 450610.8161 76505.1218 21998.4306 156071.5319 347572.2624 347740.1535 244274.7734 590036.7627 33038.7332 327878.9873 12678.2140 90850.4284 173011.4545 72610.3060 68469.2308 64573.2100 130289.5987 561807.6131 118920.0933 666340.2458 43890.1441 94682.2831 664648.6064 622261.0421 76382.6481 69986.7226 119665.3286 171726.0638 629115.5368 19144.9159 1450251.5570 12683.4196 66214.9108 71001.5346 326102.7120 199378.4639 105440.5590 80221.1893 59536.7205 Hypotaurine 19206.7632 86141.9373 13310.6123 21976.0039 42524.8348 10230.2663 12249.7374 17865.8933 93281.2341 57623.1022 23315.0457 12051.5099 11791.3334 7460.0169 54911.3027 18939.0572 9385.5445 10795.8179 61716.7410 10835.0767 20308.9202 14980.8880 12759.8672 13049.8084 8751.7658 15978.3282 11948.9695 13093.9121 28451.9549 11627.3643 11558.0043 25238.1298 35655.8226 22213.6740 14993.4603 14400.3785 16157.5934 7253.8721 9828.3829 27620.3824 20532.0687 7126.6419 11252.2391 16470.0429 13473.6218 10748.2391 10295.9699 14576.1875 13761.2879 36682.3079 6948.1762 20743.7353 6600.3766 8588.7502 9060.6642 14497.0926 5766.9762 9576.8297 13147.0530 7132.0868 24034.2254 10666.4391 13861.7075 13540.8616 19324.5406 21584.0242 28209.3111 10436.0774 28190.7817 97634.8352 45741.7192 15018.7640 25190.0648 14890.0503 18770.7128 18870.1892 10446.6329 13105.0495 12398.4192 13027.3305 26368.4312 18112.6346 41569.5586 11678.0443 16727.8515 53066.2479 25529.7708 26575.9736 31191.2780 15988.8693 48169.3887 16787.4199 28215.3037 9931.7094 12870.6691 19393.8838 14717.0881 14574.6899 13972.1298 7908.1280 28182.8377 42785.4103 9219.6439 14708.4671 6699.7034 9187.5206 12702.2719 17633.1939 14623.1716 11221.4713 20663.6255 17701.8176 Hypoxanthine 7547811.9320 1591320.3850 938248.3447 5785009.9150 786119.2438 673235.5332 684595.4022 833743.5575 1303908.3680 6814948.4900 2223842.8830 2073369.4460 1135525.1800 2015595.0620 693386.8616 3181253.9680 1538139.3670 1469009.2740 2925323.3560 2153420.7880 11445342.4200 631830.7517 2009764.3740 852536.0590 2025413.5200 952549.7645 1132166.8470 210514.8786 1282792.0290 1039036.2920 539266.5702 5466542.2090 2313638.8890 836113.5507 863339.3079 1743870.6370 243121.9153 521422.1632 480529.1443 2523846.1050 248957.2126 624323.9964 438094.9504 225690.8927 1698472.3990 4663811.8490 2261978.4410 1031721.9010 839405.7167 1930702.2970 432462.1810 913944.3231 299969.3101 290780.2148 365133.2917 2795857.5600 229135.4074 1051624.5430 2108379.3980 713964.2140 1163626.9960 847594.7707 6849603.0710 1566008.7050 451695.3357 765010.6172 1324618.3960 666493.2632 2163166.4050 220144.9896 759142.7141 2066396.3200 847967.4849 1400949.1820 1243638.6010 483565.0331 728077.0732 1860146.3730 1756642.5230 3225509.2390 5739031.2900 256590.5243 1336173.0110 670921.8487 2563877.8090 4329444.6820 820573.6129 3168001.6660 2875876.7880 6177112.7840 10913507.0700 4083507.3660 1208176.3370 215842.9468 6527667.8220 308676.8432 1626609.5530 299716.7365 612000.5238 597668.8141 1255814.4430 3029441.2290 1021398.2020 204590.9942 321831.6656 380888.6303 596705.9997 1860680.0030 1090922.0870 736143.0829 721682.5662 1482111.1910 Indole-3-acetamide 260.2806 708.2178 5768.3318 2881.4416 8287.7978 2044.2508 105.2361 6717.6048 2401.1545 2781.5834 635.2463 1412.7186 86.8834 339.9925 8044.9119 623.4984 484.5313 85.3043 602.5752 358.6109 3313.3598 186.5686 90.9146 2951.9528 139.0810 4534.4522 351.8331 235.9140 284.2048 579.2274 197.0777 1831.2403 407.6803 126.8311 141.9144 968.6265 84.3456 736.2282 771.8202 163.5638 76.1546 104.3955 40.9941 5332.2790 3299.0734 358.1088 70.0041 27385.9126 53.6098 69.3136 238.8093 2001.6642 1510.6505 212.8160 834.3750 327.2577 292.0201 935.4880 148.3162 895.1766 709.5709 2284.7142 2414.0562 463.5708 2270.7286 1098.3019 90.1988 98625.3696 1213.7085 83.6368 4328.9763 472.5620 14139.3945 782.8337 878.6195 2310.0292 6560.4435 44.9860 172.7942 339.0763 825.6133 2302.8423 1326.6949 179.1854 2475.7049 35.1805 1475.6737 316.0263 106.0313 88.9619 2625.6387 520.4895 1197.8744 584.5283 1269.6942 250.3703 2250.8981 145.4427 163.1720 228.8220 10530.3211 190.2992 315.6690 3170.3743 147.9251 Indole-3-methyl acetate 5915.8520 20402.6092 4801.5564 430280.9778 330.2476 112898.6213 7227.0862 9461.0187 643.1818 5152.6032 54898.9365 9353.4582 1757.9733 12377.6116 8402.5366 18617.1481 61172.9039 2390.2537 1718.6253 2671.6525 3305.4075 2411.6511 1440.4466 360.6423 625.7826 9717.9293 878.7711 2816.0516 2981.0677 6860.9647 6974.9402 1469.9860 2933.6591 4574.6490 1892.7675 26017.0982 2827.2353 1342.4545 9772.6872 1318.5097 1775.3834 2477.6536 1188.1798 4504.3216 3305.4846 8114.3980 10368.6997 618.6561 722.7798 7341.7784 300.0558 2410.9571 812.7726 5083.1474 1510.8086 4126.0248 4360.4293 3266.8319 2735.8041 16309.8381 1858.6522 1598.7640 827.7274 1984.1577 2960.0723 6920.7601 1914.4864 9183.9852 2618.8733 1982.9553 3644.6514 3542.5905 7269.3477 70822.0944 2114.0735 2391.8773 22517.5067 4451.0116 35368.0981 5605.3734 6314.7249 6904.9114 12497.8129 306.9029 1726.3624 20522.7039 336358.5262 34895.6109 8013.0526 21692.9738 20784.1898 3241.1905 1691.5187 267.7137 2078.5592 3117.7778 4627.1281 910.2618 4450.3561 12702.1121 69076.0071 8358.2472 491.6155 17190.5765 2272.1741 5490.3151 1929.2547 1345.8563 2029.4979 2720.1134 1930.3800 4224.3019 Inosine 5472.5356 2837.5218 105713.6950 63872.8409 5763.0100 6409.0424 62527.8274 3835.3332 6925.8446 9885.2924 5311.5995 7605.9044 29828.4288 1772.9300 3333.0013 3755.6879 54666.6853 7281.2232 5193.5215 5412.0145 125115.4034 3471.9665 3883.2394 20875.6631 8763.4261 19045.2821 22425.9114 14094.7020 1984.2583 3160.8070 7916.2663 3357.3645 4547.6306 3510.5491 6007.1709 5953.6159 4270.8769 17143.6833 20938.1409 3540.1082 4609.8246 24293.7215 8806.8528 13823.3012 18175.5925 9295.3887 3303.7579 4118.9959 12430.5972 4023.4854 3190.8787 3822.1921 4895.1294 17643.1692 3676.7764 86511.0801 2805.6949 27067.6680 57161.7389 12320.3187 4280.0392 5689.3878 10376.2984 3062.9137 1717.2444 2536.3056 5310.6685 3099.0411 27846.1482 7573.2442 5339.4605 14859.6709 2471.8123 23030.4641 48997.7882 31139.2478 3347.8454 2769.0560 2223.1144 47262.5244 8875.1762 32484.4990 2941.8386 9938.8136 50581.3200 3337.8153 55814.0454 3618.9217 3887.2768 22885.9248 19766.7175 2686.4806 3318.0999 9674.8211 66923.7402 38486.0281 4363.7893 4599.1779 9670.1085 44753.4185 4957.3805 3796.5423 19710.3998 4012.3632 20732.6387 3020.3048 11282.5943 4926.6154 4870.2962 23345.0044 248610.5641 16122.5272 Kynurenic acid 752839.8197 290017.6329 326869.5764 346073.2372 2114901.0870 181363.6311 194309.7825 1220585.7620 1467763.8290 852880.4586 483696.3859 176094.9257 233177.6699 152265.6383 288602.7418 606436.4343 324185.5839 161862.5294 346843.6228 239682.3592 598008.7840 306369.5840 234641.4425 69008.9851 259468.4789 146253.4371 160909.4597 47096.6844 744527.1078 482981.4074 195157.3643 1212286.9140 1732601.5240 661437.4703 426839.2275 400459.8940 152931.4684 64931.0387 226940.0445 805094.9537 90676.3733 143385.7999 124766.7593 110044.3413 166156.0836 119404.3738 254446.5681 291550.7440 82586.7287 1141659.9890 174532.8494 691920.8300 161804.0995 95804.9441 169716.4770 253966.7791 160050.2829 138006.9689 211778.5247 135615.5360 534071.0400 393386.2391 142127.7592 245954.0442 303294.7707 110843.7883 323489.6439 205727.9174 205712.1842 126379.7860 107774.2353 264476.3569 258075.6206 159718.7562 154757.0703 31683.4517 148476.2324 220085.3668 154889.0209 276044.0688 618150.6936 61282.1008 174123.2376 117846.4104 378903.6203 879347.0869 369769.3520 890956.5864 353567.8685 513047.2942 191873.0656 345971.7698 285333.5139 47258.6453 244690.0737 164780.9073 230174.6559 129922.5674 372838.5452 98438.5920 300416.0271 184054.8604 149035.9919 175122.4033 99604.9266 157735.1448 126657.2016 225500.8901 916055.7441 141365.0496 140577.4276 370736.7311 Kynurenine 144635.8309 147060.3134 130376.9879 669861.2179 17952.2714 29287.7008 165151.5823 67786.2119 21917.4969 58484.6333 594160.8635 33458.3448 67526.6670 181312.7821 26877.5342 369668.6018 628116.8374 46443.8883 81556.7239 340284.3530 93246.5343 11039.5190 14941.5932 34539.8022 119778.1395 40024.1396 55957.9741 15784.7605 31483.8871 270140.4167 149314.3344 29645.8616 1210982.3620 102431.4096 98597.5359 32889.3440 63783.3239 14293.2660 65743.5746 27989.1754 21778.1651 28545.5210 10628.7642 21765.0850 32545.4582 45001.6754 161187.7362 259001.9770 18540.5861 370965.3170 18149.4696 11521.0430 75704.5166 55621.3490 19544.2740 38848.1162 16718.6721 51193.1644 59477.7365 189997.6639 20402.7481 217542.9515 71026.7236 108971.7444 34593.9512 89582.9861 1144168.8250 170367.4343 131912.2720 74933.5375 38718.3771 57716.1718 21416.4379 108931.2015 137240.3051 16960.5580 18125.2827 22352.3834 63309.2114 102031.3467 123804.6447 15415.9669 14024.9120 10911.0894 87253.7878 30459.9459 321080.4299 33209.2093 46726.0914 234272.7551 95913.3484 49622.3207 27717.1713 7800.0817 38630.4979 28364.7762 50415.9717 75508.0199 38965.8015 123291.0944 184950.6157 60526.9935 50332.4381 137745.3698 27027.9941 41032.4424 53227.0147 14699.9533 77072.8792 70470.1707 80395.7475 89057.7836 L-Anserine 50993.4998 63688.1583 33934.2564 142355.8808 46545.4547 584634.7850 39440.7953 46914.6698 635061.3177 331895.3038 1571158.8630 91576.5800 187166.1932 44627.9493 55838.2424 125659.8536 45350.4200 95238.0976 210451.8580 434020.6956 82370.5629 28062.8671 28735.4692 12565.2703 146050.5214 195023.9629 23301.9032 14108.1825 1121482.8220 163277.9865 190777.4526 677292.4535 63377.0220 592846.8102 381164.7047 232959.9848 25696.2350 36202.5838 539836.8401 162382.9206 16311.7540 30162.4587 74104.5275 5150495.6740 54484.9549 31202.9774 248815.6082 65212.4889 18440.4786 126394.9111 80946.2844 654033.6476 373271.8598 38942.9832 66631.7312 133798.8580 86165.1352 1185548.8660 104152.7643 187263.3416 108996.6135 80443.8011 190812.0708 96971.7317 80141.1978 225537.5860 41623.9062 42077.7053 65938.2406 261041.5622 47551.2799 79727.9322 685036.7661 802364.3679 52554.1851 29110.1908 87179.9640 45705.2109 166802.8671 434266.6151 200940.7503 276291.6005 100443.8732 16365.2632 417293.3002 106335.3429 94178.1190 128002.9217 82494.8109 164164.3157 222404.4390 103336.2013 53271.4265 22196.3690 74332.8031 47610.3676 140311.5866 71820.3717 4063822.3630 48409.0565 212716.4426 89249.2806 15742.5283 66160.4128 119112.1936 240227.6097 30890.3026 97830.5610 19740290.7500 885272.0646 108929.3730 87100.3219 L-Arginine 174675.5721 70673.1621 213881.0617 371200.1319 335647.9421 376257.1242 233401.9115 275547.2835 368422.8274 387780.9802 685908.3335 220483.1305 366833.2176 226024.4984 256377.6104 242073.3859 148855.8211 312494.9118 234939.5266 305814.4410 466011.5850 159550.5256 185545.3762 60744.2815 285103.2204 401823.8182 139100.0576 80313.7762 1126875.6000 581004.1304 507165.6213 496348.1169 491654.3069 656680.6146 567667.0918 641247.0326 221807.6399 85622.4181 925101.7652 524456.6874 133114.3379 112401.8972 81002.0363 140283.6071 183666.2975 120096.8559 374231.5413 353126.5976 111903.6045 326723.3514 189269.3400 440538.8320 878041.4319 317107.2300 377013.3379 355911.8117 277057.6653 1516797.3680 295018.8407 192273.5742 716175.5278 221248.0149 275332.9333 656929.2158 398284.9659 299705.3076 439700.7026 232408.9554 304887.2810 522385.3358 206500.2452 365087.5750 345587.2621 605754.5981 129321.2065 77214.9214 488287.6168 248071.8577 312631.2131 195333.4654 673619.0874 173508.5630 381598.9893 113838.3804 256469.0624 456560.9806 310542.2001 500907.2479 233624.0133 217644.4579 663576.3279 1001901.6870 561075.0021 87372.9646 238292.5605 35352.3807 325443.5320 280127.2488 189924.1731 103109.7981 567941.7632 787584.3595 144045.6303 351625.4131 177937.6448 337621.9015 188293.0248 515557.1497 878721.2379 231409.1510 126354.1937 273467.2663 L-Asparagine 515731.1601 192842.1432 241341.4053 2521230.8790 244924.6364 239556.1345 1050052.4030 226687.9937 182344.5467 753648.8251 720115.4432 186451.7681 988492.4297 2295090.1760 153865.9107 1472407.8950 1169830.3270 1076922.2380 1087546.4190 2456242.8600 972117.7324 63280.4777 292301.7519 104275.5168 909788.9739 473817.1810 380318.6153 126871.4781 765657.5398 2405017.5630 353264.5190 492340.0846 1154627.8710 966059.3033 461336.5386 258606.6845 83506.3852 496620.9963 512992.9838 528773.7820 353954.7355 213499.7478 98652.9636 125668.5274 418004.0205 1680428.1650 2756130.2370 770486.4999 285440.3852 841068.2546 190644.3258 757874.5320 367584.8185 528165.0786 254750.1548 631632.5574 898312.5952 872963.0669 952689.3570 631199.0684 999895.5688 4179675.4490 564332.5200 580249.7055 1517416.6350 702575.7693 1102393.0100 397087.6635 1921410.5550 290706.4361 169047.0548 657870.4942 739898.1000 1282452.8000 743034.4681 181134.1001 645115.0159 722367.8159 627823.6927 1996806.0230 1383418.2650 152768.9368 506727.4561 104103.9691 429927.8066 854169.4460 626814.9485 847710.9709 450233.1450 1252025.1550 1539706.0530 1327080.1190 1217212.9360 341043.7292 499816.4849 245318.5396 716341.4653 350996.8128 242268.6236 344137.9175 922974.5167 1430392.5850 266541.9323 2009094.8600 212455.0903 320194.3808 559786.5432 134544.7814 487704.5316 689821.0246 443902.9412 715584.2930 L-Aspartic Acid 32549.9555 177634.4166 38629.5468 140474.8344 37137.9739 58361.3517 127489.9298 106895.5629 54714.1957 184264.8546 85043.8656 44718.4176 78623.0396 151674.5245 406819.6405 47460.0409 268337.3138 105636.2878 45115.0397 145991.4732 176526.2426 171700.2906 108163.0503 191572.5747 46168.1005 42571.1642 146144.1257 99607.8296 70781.3152 154130.5695 27662.9473 71842.4862 148177.7734 85728.3541 79327.8798 106422.7300 286385.0399 164056.4176 174033.9869 33625.0252 148787.3691 81200.1390 167161.7343 171501.3693 140816.6732 150278.6684 116202.7498 82955.0652 225116.2009 65986.8128 94894.9981 84172.8045 44145.6610 117094.0978 77067.3478 93554.2144 57412.9137 122096.8817 235285.2888 88818.4022 66790.8141 228605.8647 13988.9496 23335.0463 71154.1598 37079.6017 70367.3024 164173.1852 373106.7335 60201.5263 467398.8679 27972.4109 132299.9741 370895.0584 170531.8568 159424.7644 101051.4585 110436.1564 123161.7758 580429.6940 165987.7655 190634.8962 88798.3787 63005.7086 36930.3583 58699.1000 194567.4677 54248.3958 45027.3030 133810.6557 299078.6746 56811.9405 31990.2069 163476.7480 132211.8364 355401.1015 183730.3264 64528.1199 100694.0430 142345.9859 182152.2180 109479.4474 96127.9055 609983.2039 34114.5006 59377.7905 65928.1664 557688.0785 31022.0535 69840.2240 206715.7766 50908.0113 L-Cystathionine 19765071.9100 2485747.9150 182916.6313 4701984.3070 95705.0049 219254.8264 317175.5924 5600414.6320 508663.0987 113955.4242 902428.9588 195748.9562 771525.1551 999815.9765 484365.2244 309125.5907 6818808.8100 510107.8410 223579.3935 5102065.4850 1637589.9650 2970926.6100 316731.0154 31062.7340 208924.3797 818576.8806 99354.6160 19636.0324 466670.8430 745928.7635 282246.7377 117184.3431 1888076.2070 1417114.3230 226158.2173 48050.4314 77342.7068 67488.4123 195631.2721 123788.7467 85824.6078 44729.0759 32275.4244 85622.8539 407594.6056 240381.6482 4969643.0220 620215.0379 46977.5454 4071440.2030 367984.0190 441218.7004 730132.7641 133188.7287 64346.9336 302413.0268 259920.4416 88600.3783 252542.8310 655575.4409 294614.7472 483942.8683 184037.6166 24890.4424 545848.0949 245267.4480 533897.8407 259944.2427 642708.9746 2861492.3520 369464.1864 617700.3259 568800.4793 4684526.6490 4298195.4190 67944.4132 368389.6382 209481.7860 280729.6824 550074.4698 26072139.3500 16850.3886 274728.1948 72192.1010 183792.6081 923187.2322 325281.7974 122545.7562 318167.2626 2191411.8020 16677179.3800 336685.2851 899564.5248 73367.4639 401249.5806 110100.9102 286216.0779 330578.5111 794099.6274 244517.1868 1562708.4110 369899.5673 305730.1406 566086.7198 104496.3558 105758.8156 269097.2612 153788.0920 326204.4879 663865.2896 56284.3224 726367.1103 L-Cystine 3065225.8280 2497583.7490 908458.7651 6047207.4990 5006227.5960 1498317.6080 339180.2567 3108135.1320 2107033.8940 8143513.0140 4173584.5190 2100628.1360 1014127.1090 6279779.6180 1098782.5160 1634449.9870 1772386.2540 895267.8181 1649697.3860 4753993.7790 1472796.9620 2322418.6660 1020216.1810 178113.1619 834569.5371 2143950.1290 689700.6100 123111.6714 3225850.8970 2236732.3400 998722.8963 4206712.1560 3020782.4070 2104432.7910 1050150.8570 853240.6350 703346.2932 940864.2154 240883.1757 1173623.1710 576363.5401 268387.3199 489651.5549 483075.9160 1363624.7680 1081807.3770 3050987.9890 2116113.0200 464365.0358 2076167.0290 857989.9563 2482896.8900 845878.6305 2631866.1390 867064.5737 871984.9923 897327.6902 2562860.5800 1153209.9930 1459870.4090 2156900.3010 2416621.4040 1186106.3110 1825617.8130 1277057.1160 1661517.2230 4403194.1170 233310.1854 355697.3994 750945.3328 1706900.6200 1502986.7590 1994123.2100 2664237.6470 931342.5879 348475.8849 1633307.5120 2366437.4860 2273216.7620 2510890.1580 3859122.9550 296985.2084 2180010.6640 505783.4969 1256267.1790 3893198.1910 864511.9252 3641343.6560 3693505.0070 1459767.9720 3338206.5620 3336151.9730 5071302.7720 194360.4643 1706107.0610 1769870.5540 1929754.5750 944145.3544 1022374.7120 285227.7517 1956936.6520 5306860.3120 732423.6261 8906003.1520 288322.0305 586660.4035 2345052.6970 1843645.2260 1089951.1720 1709264.5810 56746.8429 3118174.7930 L-Dopa 14322.0036 140283.5039 9018.5095 35056.8965 75034.9473 21260.7818 35633.6581 51227.5465 190020.9484 56837.3735 326818.2322 73192.8634 12360.2344 10083.4009 67091.0883 25236.2346 5334.7207 37582.7063 33544.4263 5188.3514 24101.0752 24364.4118 8170.8163 18286.1437 5127.0511 27551.5682 7530.1207 3897.6724 56313.8377 51964.0102 24504.9677 44829.8474 85323.4362 32934.3315 184037.9655 20630.7161 20625.7469 1402.2714 17362.4026 23497.7959 9613.3638 13376.2622 3850.3593 98105.1891 10152.4013 13534.1980 61091.4842 15455.9272 2723.0917 26751.0141 4483.5301 62467.9176 46708.5195 15788.8109 6013.1489 92443.2247 11589.6421 22903.8695 72034.8075 12530.8247 23921.3844 18885.3063 9635.8707 38911.9520 11693.3735 21050.8346 42238.2003 26834.7441 7005.3464 336776.6665 29277.7295 28417.6156 22891.9272 25345.0890 3431.7116 17225.7121 9220.1439 13365.5757 7814.2931 53808.8629 9815.8840 7559.2354 149094.1549 4531.2013 6249.3880 32417.7706 13102.5879 98807.1970 56908.1398 20597.3417 8064.1387 28195.6318 27989.0716 13098.8442 24014.4274 30438.1319 23815.7338 17282.2437 8033.6062 6119.6016 32231.8771 1580.9890 13415.5788 22417.0855 6482.9442 7451.6264 18920.0464 1859.8806 22232.4519 7561.1459 15580.3414 292888.2403 L-Glutamate 245489.0234 2494480.0130 259064.4864 3681001.8130 279568.2065 296765.1012 1441153.3990 1702695.8430 572106.4356 1111776.9650 1527606.1080 302319.4750 451692.2962 1267110.0160 7037081.6600 1029941.0550 441452.2479 2336883.4730 332739.7674 266636.9348 5197703.3900 395276.6396 136550.8624 122320.5658 367798.6327 1040553.3010 145586.0290 18800.0126 877441.1296 563762.0783 306238.8266 470684.2627 874061.2931 1225484.7890 302167.7813 369330.7018 796320.7886 284065.6412 446500.0983 347031.4826 382838.8727 317413.2028 19051.7146 153251.5722 194226.6502 552165.6193 2314475.1550 522675.6725 62689.1831 775032.0635 188643.3266 400554.9361 140718.4512 230002.4019 716422.2590 1579989.1190 675550.3077 782369.0939 794090.8134 289627.5831 578785.5959 3673325.3830 211627.2236 1243740.9700 1914047.9860 280355.1272 1475594.6160 645887.4983 1257777.7020 185732.3898 4351699.7750 200952.9678 1000410.1220 2752759.4530 220295.5066 145666.1415 289676.9474 1493174.4680 2272296.2790 4300589.0110 8520047.1420 498095.2931 1002730.6730 27406.6451 247960.6757 278330.2753 727458.6603 429241.4985 435453.5558 3594398.2950 5778336.9170 642100.0515 372972.8229 146080.6880 418726.2473 2250632.3060 692314.2359 162327.3197 350886.7128 422316.1105 867607.2679 6298395.4520 98974.6595 4374875.3780 71797.3135 239660.1900 292678.8548 1177932.5520 487916.7468 3397770.1910 382834.5981 511956.7986 L-Histidine 19701980.2500 36608990.0200 8452929.4360 59813983.0500 3797557.0210 9431012.3450 37845943.1100 5690413.1400 2699460.1270 12076310.2700 32245236.2800 33209163.4500 28222636.3200 47906879.3200 35099193.2800 37967824.0000 28932380.7200 31793911.7600 38679509.5400 47496761.0000 43828802.6100 4076370.2680 9851491.5080 3778233.9630 34999504.4100 8710181.7390 17017337.0000 3716630.1970 35549367.2200 49110657.4200 10791896.0100 26849000.2300 35171928.6000 45739352.1800 15783296.3500 8576021.7280 5023980.1930 28357287.9100 21320249.5000 19704545.9000 14943440.6200 7678953.2950 4460804.9350 4610564.4410 19105387.8600 38164793.6500 60154385.6400 19228027.8600 14611516.8300 43103507.5900 13870748.2800 42877888.0500 25236113.6600 30963431.0600 8208587.0130 34959916.3400 47759312.5700 44945131.4800 29799057.0000 23051687.8300 49942546.5500 52826956.2300 29750772.9900 23858266.9500 43338248.8200 26197975.1000 33404936.1400 11335646.1600 49864759.4500 7307252.3860 23668498.8900 37466431.2000 32053438.1200 35517012.4300 18187620.1500 5736089.2320 30039241.3300 24432714.8900 30781812.0500 56372065.7100 42706386.4400 7021386.4930 13773732.3000 3853321.4350 27832800.0500 34516637.4300 24555248.5900 24326060.6400 19179432.1500 42271026.0100 62293001.1300 42884898.3200 49335673.0400 9830508.2980 16169488.3200 18193905.5300 26068645.6200 14983641.4400 15563426.2300 19294653.2500 29229998.2200 41515522.3300 12726281.9600 45128090.3100 6223167.0780 18311628.8000 23318671.8300 24422848.9800 29659620.4800 31515797.5900 9959494.1490 33889642.9700 L-Isoleucine 144275.6171 48473.3244 782439.0155 383022.3027 87741.8121 189536.7305 266833.6830 587122.0698 49318.3707 777785.1161 180525.1483 64285.0424 413314.5890 307676.4341 185172.8106 335707.4709 961830.5543 200653.8561 204015.0580 461082.6955 320315.4032 339897.3930 79395.3926 66876.8066 149242.8695 207715.9701 215954.4721 59669.6233 182768.2650 230726.0916 154723.3687 220778.6436 228227.5765 278128.8987 98429.7956 99583.4418 70637.1641 71542.5862 146698.8906 129129.9101 79095.4657 159480.9140 66820.5015 50522.9713 154437.9368 592710.2930 327139.4091 193783.1367 91052.3961 258564.2488 90344.9140 184397.6815 119580.9668 175836.5886 67319.1013 203516.4088 111078.3153 328196.7091 295250.2316 213010.2762 269260.2845 246424.9972 143580.9704 195180.5543 298035.7805 156518.6523 231757.0295 90252.5396 217682.9040 144636.6241 298794.5006 550951.5254 172548.4874 195475.5017 165809.7145 120169.9782 225792.3178 216976.3969 133223.9938 406171.0439 353583.4130 127481.6958 152584.4257 60028.0461 270445.0884 71867.1614 412627.9323 61083.2467 109637.2159 174074.1109 456003.0004 180126.7818 320323.5887 289620.3135 165706.2716 66040.8696 115752.4056 77349.9243 73986.4415 93423.6218 255532.6509 181486.4824 123415.3059 166376.8269 58722.7457 95436.1540 125690.8274 141557.3093 241819.8842 136124.6837 190618.8829 439339.9622 L-Lysine 690555.2716 1337532.8770 496236.2085 2675257.5540 701100.5625 572250.8835 2184846.3470 1043494.3800 975123.4059 1289433.1400 1120812.0960 447306.8403 1063325.3970 7464239.9370 1459972.6100 729512.9014 921293.5690 647630.2768 1458482.7680 3907547.4810 3040950.0360 554590.3718 377394.1971 148483.7422 568394.3550 1065511.7650 720126.3443 195918.4265 1135339.9720 1828837.4340 780792.1799 1303292.7710 920391.6598 1318156.2860 735470.9993 563873.3301 360170.6023 1357858.0620 727865.7640 659552.6345 447417.2211 273910.4657 147698.2172 273859.3756 1098065.3780 429620.3890 3556938.6400 591845.2442 331986.3643 1311941.4400 666289.0219 1863312.6410 521029.8340 2325759.8790 342013.6744 610289.2788 509372.5449 1010423.7390 1195110.1690 957698.6575 3469787.1280 2127866.7340 615211.1141 1197907.3500 1024559.4080 634296.3582 1372901.2940 584667.6191 1028956.4060 584600.1960 1073145.9650 2328529.7110 1642751.4150 2451094.9250 312523.3972 263978.2276 2029979.8520 1512442.3930 686357.7264 1198130.8610 1658562.3710 272055.1213 702977.4137 239364.9072 418488.1423 1014930.5250 653645.1668 1321342.6050 717517.1596 1010712.2280 1822670.8770 1207741.1960 12989306.3000 270073.5967 792519.0213 214806.3362 1066110.8760 510519.6680 609161.4671 618228.5804 1008059.4010 2991371.5450 437175.5377 8374875.3620 258731.4494 547785.6065 1170445.8780 1643192.0420 1020777.3570 1055736.4690 427754.7184 856351.4935 L-Methionine 101108.3288 45684.7476 94219.2162 138822.2962 133399.3766 78583.6877 98208.3599 133776.7757 4123742.1250 212121.7393 80071.1285 123636.8082 1472847.0310 65322.1827 44922.6239 119288.8673 149284.0852 55851.6509 465766.0095 68543.9799 135272.6345 14761.6858 63167.8691 170930.0550 646573.6005 122063.0708 157240.1274 25561.0389 184014.1299 78142.7167 75581.6472 245964.0735 125389.2729 165456.3794 100563.8447 68965.3021 30043.1892 23163.7726 55249.8588 117758.1099 36174.8863 124767.2035 81847.6168 62659.8171 105142.0497 28234.9795 71530.1719 95806.8768 49111.4116 1156260.2030 99698.8913 162810.6142 158781.6297 77026.9782 63563.9481 122800.0438 21093.7230 132793.4750 72911.1378 98198.6485 134799.0101 360573.6630 152148.1541 119381.3690 53395.9213 83879.5129 124391.6136 38008.6129 117147.2092 65276.6955 45586.2348 127151.2915 42259.5357 84524.9011 40535.3991 43170.6168 34779.3795 64054.8652 43340.8057 158753.0316 134576.0396 23591.2794 69941.5979 65535.4967 114930.8288 136536.8497 136055.2192 143660.6326 38235.0995 1991920.6430 2545545.5640 164827.4156 545120.4166 45565.7950 92323.1638 30929.8740 28413.7720 35485.7543 58075.9576 2072380.3580 128715.6829 99182.5240 1870849.3980 32359.2019 73028.9930 93368.7217 59261.9522 33682.2504 2668908.1320 92265.7821 218066.1257 116234.2625 L-Methionine sulfoximine 17743.9275 17626.0009 6730.1303 5577.3448 53603.2430 7933.6670 6600.7930 16243.6758 84850.3865 3548.5861 13450.2570 6355.6187 11663.9142 3714.2352 10498.5371 9537.5283 15495.4536 4844.9556 5622.4336 9985.7916 5273.5526 25087.2009 17295.0157 8645.7659 6298.0326 10071.1332 1540.3099 1376.3951 17342.7610 7365.9346 12806.7035 10390.9968 12629.9119 7233.4729 10673.6544 11778.7879 4837.9368 2012.2659 4738.2406 10674.7067 2923.4509 1930.3851 2039.1728 3786.9086 5569.4180 2222.2736 8321.0836 13929.8623 2804.6452 8235.0162 5479.2515 7782.0980 4916.2051 3532.8314 6000.4508 5551.9463 4980.6999 5695.1526 6049.9407 9235.1787 2866.2349 9191.6003 3973.7624 3767.9610 8582.4360 7840.3994 6410.8502 8328.8685 6130.1497 16123.5532 6513.7016 12827.8326 6744.7787 12615.3740 9554.9364 3336.6245 7456.5880 6511.1308 7871.4501 6230.3093 21629.5326 4158.3357 11599.8205 2776.7911 5455.1789 25236.7967 11043.8059 10619.5394 15082.3234 11943.8103 21486.7125 7824.9571 7855.0232 2171.5402 4379.0473 7066.9838 7310.8220 5057.7583 6120.7606 5517.4493 22550.8901 10573.0634 3211.1517 8382.4650 5535.4761 3304.1444 6292.1782 7519.3164 10621.0002 9568.5242 2274.0152 10031.5889 L-Norleucine 174391.8535 65413.7025 133003.2259 11799.1524 506697.4878 127242.5303 158765.9377 70001.1665 L-Ornithine 43460.6388 29959.8126 60702.4146 247988.9851 28143.0564 55470.6418 82202.9146 160432.3355 48434.7791 341887.3182 109564.9526 89673.3992 150065.9471 623852.0557 487958.2781 71210.2975 130004.5572 99210.7805 133565.7797 164760.6086 208555.7320 33974.3535 45470.5022 10963.9001 47440.0853 91592.8134 50727.0007 18241.7159 147194.7973 154162.2536 74617.4147 103185.0717 90018.1406 131392.7502 45498.9335 141368.9832 53628.3562 46705.3270 53498.5592 86011.2157 55653.0884 27977.7546 15663.0377 33379.7755 144686.3525 106822.5822 584151.2970 74238.3044 57486.3241 108551.6332 68983.3628 119265.8864 67180.8929 290102.2772 38338.2608 42893.1357 77948.5786 110263.9545 122491.8847 111889.2953 129986.7877 162875.2700 181709.0978 198535.0922 142805.8688 61617.7832 175444.1645 76099.0504 100837.6354 81604.3587 385006.5417 133087.7882 211493.7864 236227.1373 77089.6628 29520.2613 85389.1486 121662.5369 60718.5435 167876.5927 139784.7443 32329.9323 61256.9177 40725.8749 47994.2602 80019.1549 49754.4222 112744.6877 40413.2450 105860.4862 255633.3149 105305.9038 253609.8943 49479.0503 82237.4521 29079.3815 136313.0944 64642.6356 77269.6322 48673.4145 108360.4281 272119.1383 53888.8928 1083857.0770 28029.8927 78337.5550 95754.0042 233558.1119 121151.8995 106394.0447 45101.9431 101909.0505 L-Phenylalanine 29290865.8600 1645827.5320 1014468.6670 45000260.8100 6827210.3970 11562447.5500 84097420.6100 1657748.0140 791809.5088 28165001.7300 4755182.8440 1004569.1280 6355859.5750 1868802.2170 57989916.3000 15634747.9500 12901231.1700 5069607.8390 12980954.1000 3374791.3020 33941721.5800 43449998.2900 13467765.0900 8660873.5960 5178534.8970 1365322.7360 2873583.9250 46518484.5300 4865375.8510 30662908.8000 78117820.0600 3369578.5930 41032184.3700 19857386.9700 17177402.3600 29095895.7800 29106141.5900 24704456.4000 36854203.1100 2494326.0930 46863562.2500 1149254.1440 14608535.9300 6613810.7060 25330253.6000 4617835.7310 19324773.2900 3527234.6820 25836094.7400 2150920.1850 2521586.3430 51138840.5300 4270122.4830 4055527.5750 3181642.2050 70609568.5100 6565593.6470 13517492.6100 19311152.1700 10675269.7200 2629840.8850 26264083.7500 59759090.8600 2169236.3240 4034934.6740 3063735.2740 44258865.6900 15913169.5100 2305510.6310 47959442.1100 89054917.5100 15523187.2300 3415583.7930 6339887.0480 49381101.7700 8238294.7370 50549583.6700 1749272.7510 40018087.9200 5569588.2070 32296660.2000 5436011.4770 80258397.5000 36478554.8500 22575165.6800 23020097.1100 7398367.8310 36577261.8600 10282743.5400 66773729.5500 5765370.6090 25391721.5600 1966860.0040 52579357.5300 8513876.2060 23009648.1300 5211921.9200 45874176.0000 1510248.8010 3975682.4410 83252301.3000 29955134.7300 1541126.8400 7174725.3590 1319001.2240 20698470.5300 6570340.6730 57029916.1600 6339276.3710 14181198.2900 107170360.9000 25174305.7900 L-?-PHOSPHATIDYLCHOLINE 28248.8790 73449.0883 46981.2609 157598.0417 201844.0089 8454.1481 451847.5422 123011.0795 519480.4936 17691.8098 16139.1828 29111.3025 15718.1577 14020.1743 48102.8566 123605.6905 14861.4977 18863.8781 23026.9311 12870.0960 105789.6932 15240.0512 14601.2681 6396.4066 23355.5611 73198.0217 10216.1434 5336.0387 19428.2229 22577.8886 22008.9452 109665.3213 19245.9922 24127.6114 13057.3993 2847.5794 5414.7197 5239.4543 76168.8288 12682.9246 10575.9834 13820.6712 6311.0297 6962.1940 14384.0723 23401.0084 45562.9755 24550.5151 3987.6871 21996.1193 6220.6818 16699.9991 8153.0140 10826.9765 14316.5470 76049.0124 13229.0952 13920.7779 18515.7857 17322.6143 12730.6652 17736.1818 29693.6630 14248.1233 18690.2243 183081.9372 24624.8753 17077.4255 32355.8719 20379.3423 11649.0222 19393.5562 24365.8408 17102.8033 47401.4262 5258.4534 9450.8942 11243.9182 15665.3543 13266.6290 16262.4048 21515.4768 38285.3297 8668.7977 6899.8019 23056.6662 165472.6095 16256.9892 13290.3292 28966.3611 45326.0927 53750.0546 8167.7610 20021.0963 18278.4364 23083.5009 13192.7126 8350.2626 23421.1830 22993.6743 12270.5562 22344.5608 11582.1666 26339.9740 8052.9939 6207.4411 14089.7555 24266.6071 18699.3256 18253.1625 10784.9945 13708.5146 L-Serine 127658.1277 111596.8770 183108.4615 907540.6931 64152.0521 133163.5309 188016.5899 110785.1474 68606.6740 389666.5261 260402.6226 265478.4784 826623.6568 326146.0242 313686.8263 395214.1114 294636.1214 203552.5504 705444.5182 367599.1618 98411.5388 119967.8169 32564.6501 321269.2154 236122.7778 263034.5336 663403.7690 775441.0340 233226.9260 184785.6215 479126.7891 372823.4776 262795.4573 139350.7838 89255.7410 220167.0491 212615.0117 268587.7247 157489.8705 144455.3063 55918.3396 199883.4919 881789.3012 766002.9008 401037.7711 103283.6034 529713.4713 226910.8258 616844.6969 139629.5392 281198.9943 129415.3425 230308.3317 391203.1602 300996.1897 406287.1265 309927.7205 511316.3203 1506544.6450 203228.8154 249600.8095 573182.6719 380698.6950 562228.3082 165013.3411 968943.0004 87750.3641 234867.0160 245420.7786 360909.4619 419303.5226 332292.2594 97459.6082 242897.8909 285132.2902 226934.6897 859513.4025 606636.1985 56851.6679 234283.7342 55709.5099 182806.1313 410667.3577 274633.0365 302693.7065 157725.1713 417223.6933 766661.8539 431183.5272 403097.2498 173575.6065 225087.5488 36993.9647 277927.3604 148946.7997 186048.2665 273640.7929 462187.5712 597703.1675 106217.7218 643040.2712 95418.2336 162401.8156 216180.1993 65658.9154 411627.7513 210784.8721 267727.9407 212738.8291 L-Tryptophan 2345097.0160 403936.2551 339821.5065 1727548.8800 172537.9475 169684.1735 2695965.9490 385573.8890 119075.3357 476236.1993 910759.8235 202616.6874 870541.6436 502964.9513 475684.2849 834572.5374 1109686.6850 502435.6262 481697.9695 833908.2387 1502086.7850 153405.4040 164264.0455 145020.9167 658230.8395 184626.0522 448167.9554 831067.3903 318751.1656 599611.1226 324007.0256 238335.5487 473035.2085 485703.2224 298629.1491 182989.8072 96861.5625 325596.7512 2675177.4060 272223.8407 154268.6370 251167.7141 119249.6267 133436.5991 396240.7964 1178808.0740 1213564.2720 452192.4604 212028.7192 362220.1960 140737.5832 276059.7034 227766.4658 646902.6666 135905.5071 1175625.5720 258411.8948 1275867.1830 1350069.1200 432968.1048 434637.4963 835911.6941 273665.8894 367429.8029 501534.8955 290353.6960 483575.5974 2457472.9090 704687.0314 254062.8273 277084.1579 730246.2171 302467.1614 576690.8720 624040.3253 187646.7234 262013.0998 309453.3610 381371.8192 1605241.9860 936024.5691 272274.0014 297733.5568 242401.3921 1218419.9820 466261.5787 1532725.6090 254346.7224 442921.7788 708076.6887 975097.5442 609440.1073 551568.5295 225433.2884 477130.2827 386090.3130 666488.8947 153514.3189 211202.7256 297221.5807 800182.7910 982474.0010 332365.9080 681071.0148 179982.1205 182710.0079 1782443.2430 277869.4811 309889.0983 749361.5116 332712.7015 1051734.1450 L-Tyrosine 222944.0254 182465.7380 29232.2923 1201385.9740 578411.1478 193856.8556 535933.9882 378417.1232 3722631.9960 1975619.8070 426462.5876 145817.6326 167154.8433 790934.6098 2617671.1310 776635.8970 70706.8718 77393.3216 1348290.5760 100716.9156 891914.6834 1171769.5790 225937.3388 303750.2219 264923.6463 109729.9372 280625.3590 371830.5405 363147.5168 4817821.2080 1385862.0640 234280.9279 576999.8724 610787.9843 128898.4653 268788.0971 221302.6055 529518.0002 1108686.6330 245404.8166 1354192.7860 82554.8486 39263.3252 210851.1096 231631.4350 83522.4195 1146655.3290 246381.6287 591527.4185 1112707.6540 156729.7622 8591165.7070 358421.2321 100943.1747 115533.8959 217122.1523 270091.7960 102286.4627 260439.9417 85633.3329 282401.7750 867116.0471 3699211.7960 1060737.1390 403163.0427 97593.1207 1634855.1870 755533.1928 137287.7403 211091.7445 1458340.1280 97452.5033 250561.3654 767940.3304 183779.9902 30521.8491 147611.9672 58432.2006 473157.2196 590441.9794 777064.5557 56817.0551 2297224.0050 149290.3535 82273.5269 615502.4516 1075413.7450 3910047.3790 999119.3548 3757253.4280 369699.5225 722531.9451 793024.4011 7877505.3690 145925.2460 1382532.6410 222084.9214 1301307.4320 79656.8902 233921.9036 4295376.0110 265500.4853 962619.7721 383845.8359 30733.5256 44730.2360 163649.9648 569996.5279 893454.4089 69502.1345 588645.5073 327916.6764 Melatonin 1578.5089 3093.9730 25227.5673 4624.9451 895.4135 3797.0532 4533.8474 3148.2425 1051.5332 2815.8629 3165.7457 11624.9412 1710.2158 1892.5527 5306.5364 1938.6162 4935.3176 5260.0012 5448.8192 10968.6638 2859.7329 3375.2516 2928.7273 26864.2276 1504.7006 424478.4454 1926.4975 5395.6946 52769.4257 2795.0599 2543.7776 10270.3020 4986.2116 10957.9075 1439.9652 5868.7624 15666.4321 2231.8432 3572.0911 1530.4053 4500.8604 12583.5205 2750.9781 28348.3557 9605.7542 18923.4326 13296.0698 2101.4541 2095.1599 4533.4319 1060.8370 16215.1157 2236.2681 12457.4211 4178.9025 5570.8185 5843.9105 9213.7842 2866.6467 22471.6655 6909.7778 3729.9183 2105.4974 2713.9277 10639.7620 6859.5513 21857.7393 2777.9686 25535.1290 3881.3367 2259.0602 2035.2419 4233.2611 10599.3545 17109.5533 5778.8954 5173.2703 13085.0719 37623.4102 28962.0950 13706.7820 7180.3716 5528.1347 1897.2087 7995.4689 28600.1885 3529.3789 6722.7252 5754.3127 8072.6869 24737.0735 28622.7251 11392.4623 8407.4937 2382.9974 1393.4233 3759.7119 2476.1173 10138.2635 5700.1386 11349.4690 6211.2500 1479.2412 5422.7927 3802.2853 36170.6596 2558.3250 9834.2007 24435.5874 4718.5743 10261.9521 13855.0161 Melibiose 119978.5221 148943.6264 132138.2899 119639.1934 199638.6326 205931.0672 131516.4831 87966.8757 201839.5139 75185.9530 213198.0028 122298.0119 827877.1802 35252.9789 203765.1898 117804.7962 57458.8831 284179.4744 379360.0916 67751.0798 199613.5935 495711.8455 421434.9777 65065.4817 194929.8183 115902.1987 31918.3091 17309.3756 132149.4752 138366.8623 165040.4043 165350.9050 502006.8065 234668.9040 303985.2380 511163.6506 105612.2389 44199.7973 230066.7504 173631.5112 162563.1892 42993.6373 76886.6254 285607.6154 223077.7005 57703.6671 161889.4686 118380.4795 89702.8530 273479.0736 53815.6804 354276.3895 148003.2902 177406.4735 141336.9512 601123.5726 384821.5863 109982.2829 91234.2155 165198.4989 409182.2750 96628.8869 109590.3216 105649.2419 267937.3112 486093.0320 336141.9621 244566.0208 1112113.7660 290317.1176 195767.0595 282045.5436 470087.1534 169566.9523 63841.1436 58099.7368 176344.9603 106699.1006 155650.2372 211961.9687 190760.7135 251347.2251 230728.8466 108735.8415 125876.1493 285125.3613 323705.6515 394029.4056 296232.1221 163631.5397 204353.4612 243182.9981 441587.4891 25733.5671 113512.5944 218822.3476 307969.9928 291574.5706 799089.0790 73812.7541 238544.3124 208648.2129 110824.4238 268710.6809 63866.0157 107418.2078 339920.1676 499464.5715 163382.9855 236707.5316 83319.0753 182405.2604 MG(18:1(9Z)/0:0/0:0)[rac] 3780.3558 4066.9143 6800.4682 2796.9626 4216.7805 5533.0383 11519.9589 4237.0522 10990.1024 3871.1301 7450.9944 3926.5136 9738.1780 2293.1953 4772.5111 3283.4919 3336.9347 18271.2583 3411.4717 4754.1377 4419.8337 8341.1491 11251.6459 4826.1501 5983.8756 3914.2075 6911.3825 5939.9636 48764.2990 4456.4212 3684.7897 13734.3242 14158.5032 58688.9456 5537.0513 10330.7054 24900.9642 10839.1548 6806.9012 3126.7894 16521.0941 17320.8943 11195.9422 7525.2926 21133.9477 3088.8803 40885.2606 6479.4055 8023.5771 16072.3632 3020.9169 14855.0040 7119.8185 36470.0986 21528.7607 10926.0158 55461.6802 28389.7723 22148.7793 31489.4037 20480.2709 4114.4922 8547.1994 7093.0452 33857.7832 14707.5969 27935.2537 4019.5079 3449.6051 7079.9811 6093.2023 6958.8268 4298.3540 11210.4698 4750.7289 16585.2949 9743.9807 37904.8397 2199.2877 13922.1027 8318.1138 22091.6717 3768.8323 5396.4497 5080.0041 39898.7344 4255.3420 27257.8251 21607.6465 5354.4793 118897.8775 42452.6922 10674.0748 7654.1721 3953.4161 4230.9753 13793.1729 6562.0806 10887.7889 7163.0428 7221.4841 5120.0004 5086.8311 8628.6404 4652.8479 12856.6994 5160.1307 28335.4581 163191.8030 21902.3695 6726.9567 5580.9495 N6-(DELTA2-ISOPENTENYL)-ADENINE 132869.3891 1906.9469 2524.8843 1069.0393 5818.1910 3268.1484 21909.9210 1015.4774 1045.5948 1108.7990 923.0502 2718.0998 1463.3770 946.1758 1843.6862 741.9514 1907.6294 1258.8812 6606.0842 1544.5436 8404.2400 3347.7291 4322.0988 2584.6958 593.7165 1235.7393 1772.1892 2153.1994 2874.3472 989.1388 1255.5483 1130.5377 2250.3836 862.4018 1423.2730 989.9931 1629.8644 3971.6675 4296.6928 1191.7590 988.7578 2000.3673 1193.8664 2424.6914 2651.9757 1523.6535 3209.8773 1749.1630 2060.9751 2145.7363 1008.5169 4360.3074 1805.6529 2035.4086 1135.8707 1254.3888 2682.2773 1642.7798 1335.4180 2040.4990 7684.4378 3191.8521 1817.9822 1364.4547 2516.1525 1137.4924 32394.7541 4820.8525 2685.7732 1588.1310 1889.5688 1240.0754 674.4882 4926.9945 1751.2168 1657.7408 10891.8321 1377.4389 1364.3262 2153.6403 2783.6632 1146.7532 1906.9281 1307.4921 1453.1800 2336.3375 2141.2815 1587.9936 1368.1333 1052.7611 1180.5862 3515.2705 1249.0306 2023.7049 640.0175 1196.5477 6173.3954 2258.7331 1297.2053 9444.3587 520.5327 3669.4602 1410.8829 1004.2623 4946.0188 1171.3675 3581.9634 1881.4984 2661.4011 3223.7978 1000.3725 4007.7236 N-Acetyl-DL-tryptophan 97569.1217 5659.4733 7120.7653 30008.5164 53847.4385 10660.9991 19791.6650 32431.4530 21485.2758 38704.8992 23075.6528 10534.8780 38554.2313 10908.8486 2949.4829 27145.8285 20024.3130 12914.0388 16556.7260 5272.3884 32561.1622 3352.7432 17054.6756 17457.0181 9823.0873 62116.0946 5532.9241 32781.5529 14397.4683 14961.6369 3558.6581 14101.2414 34404.8967 74436.8627 16160.4668 10825.9325 20912.5354 14071.8260 33044.1088 4419.3416 15098.9247 4147.4018 10319.9622 11718.4914 13120.4063 7287.6309 10236.9680 56725.5765 10246.1380 25868.9871 4329.1584 36829.0333 10483.4652 19313.9834 14111.2084 13384.6272 14644.5461 22523.6348 7514.8605 13081.2713 18204.3805 15133.0649 20891.0002 25291.3399 56480.9503 15532.5369 13576.3997 101204.8056 33045.8832 18120.7017 6183.2424 6365.1300 17438.4843 8436.3775 53448.9747 14373.4072 23598.9047 11181.7315 17243.5445 11362.3316 11021.8568 14189.7004 15194.1681 7862.2157 16545.2211 21518.9235 133387.1390 32291.7940 8938.4752 9285.4139 52605.3883 30072.6164 16165.7879 6177.1010 53938.6709 19037.6977 12473.6116 46760.6164 21063.6461 4904.1981 19588.4280 146628.5510 5849.0831 10707.7780 4904.1609 17667.0441 10509.0453 12686.2343 24357.1174 14338.9933 4212.9180 9655.5218 N-Acetyl-L-glutamic acid 20308.0691 38841.6311 24055.1768 20916.8271 76221.6234 5096.9349 46183.0476 6033.6940 56827.3158 28733.9486 117933.0539 69674.5154 18944.2312 8196.9670 117428.9007 25359.7946 9865.9959 6298.6113 30629.7358 13198.1344 7402.4153 39995.8934 14280.4850 14754.7179 27582.7815 13388.2712 8266.4516 8890.0530 36960.4937 63483.3520 90007.1740 9500.2444 17320.9933 8076.1265 12079.2257 24360.5747 21691.8298 16753.4136 13284.9576 33549.7462 22024.7419 10533.3168 8735.5208 8235.4688 23104.3855 28593.2809 118253.8837 3518.2380 11971.9597 7138.4954 16377.4449 57587.7139 45233.6333 26683.2659 13275.8467 148881.1965 49357.8338 12704.1531 18364.6461 7010.4168 42783.7951 13235.9135 20425.2038 7519.9590 14051.5022 18471.4948 34709.9167 24507.5318 13977.9150 6500.5113 23593.0323 75617.6585 35435.8601 66946.8834 9445.9244 13890.7543 14290.8731 19543.8778 6703.6054 48541.8127 13341.3346 10845.8091 24268.0908 7781.9897 20637.3784 6804.1010 19895.8457 87932.9582 172477.5206 21478.7692 12784.9085 36574.2582 51960.5833 24968.0531 31956.0594 45094.3857 35502.5053 10570.2506 23106.8776 12287.4428 10990.4925 5581.2171 7901.3094 110164.1201 7512.8261 25604.6989 25666.9209 20880.4280 8544.1043 9649.5041 10647.6389 11594.1872 N-Acetylneuraminic Acid 3108872.2500 5046875.1440 5808199.2000 4755295.3500 7235310.7740 4237490.7920 2036384.1450 4008373.6470 6883143.8530 6210455.0070 16259487.7100 657879.6234 2509032.1040 2446699.1590 4519654.5670 4854189.7890 2105165.8860 2453816.8440 5825789.5720 3912325.4180 8064858.6390 2891192.9760 2807774.4340 641336.7389 2290010.5100 7196820.6030 1711022.5540 461728.2925 6506677.6450 3026880.7390 4368595.1440 9121574.5580 5364201.1210 5242640.5010 3058831.5050 3226502.0370 1603587.6360 707036.2533 3080581.0350 6969823.6230 2482758.1440 1346856.4960 421693.8679 1151375.4750 1125547.7460 1424150.4700 4664550.5580 8047958.9960 438572.0753 9363180.9070 1323759.6430 4568174.5210 1636082.6170 1572455.0890 2709148.8310 2246476.5770 1772164.5020 3423510.3060 2948550.9560 3459794.8640 2706225.2140 2954108.1250 1314026.3810 4204820.9540 4374923.9980 6499209.1450 9537593.6890 2933993.8770 4906784.7560 2747166.5910 3871614.7030 3512478.9910 5780262.6910 3113964.2850 1072175.7910 665559.7353 2745188.2340 4136946.1740 3822657.7320 4070569.7130 5601496.6380 1069038.7800 6118396.9980 829758.3566 3269028.1570 2852155.8870 4504136.7390 6169611.8350 11276482.5100 2389517.4040 6124941.2080 2464911.6400 3833607.1240 656801.5581 1862294.6770 402641.1756 3853581.3280 3395179.1250 2045633.7000 930555.0683 9441496.9970 10623704.3500 1118898.6280 2666006.7360 1120267.6200 1364919.8840 5210980.1500 3512342.7880 6343424.2030 3303074.2630 2413527.1010 3265787.6420 N-ALPHA-ACETYL-L-ASPARAGINE 26278.3724 30147.2469 19601.7980 51440.0522 17738.7548 7641.7018 15566.9871 11462.8146 5231.6753 402983.2865 61134.5682 76407.9434 45989.2313 32142.6383 17474.2036 43478.7151 10233.9943 23006.1113 32068.4897 41657.2082 88351.2264 10528.2614 15998.5695 8840.7964 40097.6082 16728.3537 12464.2161 5794.9615 39476.0421 31051.9648 7947.2973 23805.9945 25754.2727 60589.0919 39328.3716 11038.4183 7388.1519 22021.4302 51205.4477 95655.6199 16879.8918 11115.1263 13187.9457 9582.7377 10930.2268 35547.5468 30749.4215 31442.3768 26500.4304 14287.3846 8546.6475 94075.4785 7947.3941 38597.9355 12744.6781 138033.6726 51277.5188 36676.1691 15864.4289 43976.9469 35439.9065 81224.5294 21375.4222 53983.4626 55578.3298 10185.6197 41947.6261 21830.6214 102119.4698 15630.9947 8825.5620 24940.1012 26502.7294 38933.1496 10517.3442 7421.4983 39915.0330 24533.9704 19905.5719 49808.7278 46142.3855 17223.6868 20877.0921 14703.5019 20928.2102 28735.1513 30845.8055 122444.1124 50000.9787 81227.3174 63862.9943 41566.6124 103643.7115 23432.4745 17851.6812 42121.5943 45647.1032 7216.9069 15733.0740 16990.6378 77533.3810 221497.4521 10755.9314 16872.5499 19085.7386 28282.5210 55663.0521 95419.7416 50215.6328 9042.2310 31619.5705 30296.2214 Ne_Ne_Ne-Trimethyllysine 15686709.6200 8120709.2350 4980384.7940 13220521.9300 12457478.4600 2638124.4550 2921740.1200 6003277.3330 12513397.1100 23611632.6700 6238769.4540 11467950.3100 3323486.9640 3587685.1370 4293307.1180 15656006.5800 6629946.3170 2645330.0870 8114391.1370 5133750.2620 15002933.6600 2818874.0660 4732084.2630 4953990.7460 2860916.6650 6870574.0200 11368905.9400 4187789.0800 22293598.3400 3420331.8190 2640156.3350 36741697.6800 9717559.7630 8953284.5090 2895964.0280 3465736.0570 1167507.6540 1537571.2950 2536223.7880 7043871.0780 4434323.3990 1186411.6910 2223042.2600 1252109.4020 3102121.6640 8673709.8720 3846896.5150 3869845.5440 2173337.0290 7659973.4520 1717496.0710 8538051.2320 2234819.5020 1552030.8640 2341372.8710 3854537.4570 1529019.1410 5070499.0060 4607253.6340 2880810.0160 4836338.4410 4241981.8720 3655906.4230 5334200.6250 2767216.2240 3549679.5810 5398192.0490 3192838.1000 14692240.4500 2361823.1670 3332512.9130 6027162.7010 5971259.5440 6579772.4810 4644314.3360 8144073.7370 3054171.6830 4323478.1190 3256383.3070 8747231.0210 9811536.6730 7361073.3740 4849461.5960 809626.0476 4882164.1090 8609773.0690 7007235.7680 6991106.7260 7686823.8400 11970571.7000 34020341.6700 6751129.6640 5122525.0350 4694161.6260 3248322.4520 5289401.0900 3292095.0350 1770240.2210 2050687.6900 1396240.7690 8937249.7100 9308529.4630 2625043.9780 2265962.3330 1568331.3060 2019977.8090 3225221.3280 8475555.0820 6998575.6670 1800721.2090 10335630.9700 4716876.1560 Niacinamide 107987.6563 43608.4063 55983.3417 545807.0216 83884.2673 52262.9792 89117.6159 207420.7558 288773.4533 7782.5818 36566.2966 10101.5965 51059.0896 131506.6346 49943.4300 39528.5642 150493.4492 32893.9411 74368.9424 50368.9640 47730.1194 387756.9111 12197.2512 17405.3362 109720.5692 77723.1389 32983.5577 72232.8993 92626.1118 98659.8589 27992.4916 63103.4950 10981.0490 110204.8402 20906.2460 11808.4168 16867.3906 19003.4753 49587.4034 90253.5682 14855.4411 191524.8366 34206.8227 95769.1062 42835.6782 28788.6362 25039.2359 58390.2618 40963.1642 29567.6879 84943.1569 35816.8522 69533.0788 107830.2840 66430.3200 47207.0224 58950.2041 59785.9489 15128.2172 25980.4342 66143.1813 22265.5078 22430.0948 7202.6209 33503.5848 6677.7503 39301.3519 90198.7440 64816.2533 76001.6460 10606.7136 79875.0198 114073.2468 62647.7611 277603.9590 95339.5856 50979.0330 333310.9285 107068.6845 107074.9459 25923.1448 32057.9257 17633.4463 11874.3886 8475.1004 76010.1024 34814.3671 99097.3731 14569.6581 18378.3051 15751.7182 19799.4504 99635.0841 26877.7290 35641.5673 Nicotinamide adenine dinucleotide (NAD) 10152.9669 45359.4577 12315.6642 17393.2565 16451.0978 6055.5475 8616.5466 35185.8700 22671.1426 66753.7937 57274.6527 33807.3176 3512.0503 6061.6689 28250.9576 16597.5570 6138.8991 6304.9232 11847.1251 10632.1246 21176.0002 9183.2591 8499.5314 1268.2407 6959.6499 16026.7297 5594.0590 1869.1762 6176.0003 12693.8665 11803.4659 10066.3601 14849.6564 10151.4754 4682.7631 3969.4332 4506.3675 3015.1016 5528.2563 6966.2830 3034.5973 4239.6852 2098.6541 3020.4033 2049.7003 1438.0337 21491.9290 12261.6387 1756.9776 15699.0097 1687.4756 5770.5078 3193.6875 2361.5819 4018.8467 4315.0587 3441.4580 11343.0320 3769.7581 5796.4970 12605.3715 6919.6765 7654.6106 10641.2985 2509.3774 5513.2351 11835.4982 6681.5345 11687.4705 4672.9116 3959.2902 3199.6992 10576.1330 6022.2246 12387.0047 1042.4207 4541.1510 5178.1965 6970.5162 8420.6520 17779.7282 1110.6904 13453.2599 870.1874 4623.0917 12090.5491 10242.0685 16066.5298 11435.2146 11050.3019 17260.2306 4720.4217 6996.4141 1996.5688 3004.3552 14514.6114 6245.8149 4265.9464 3394.0042 6737.4049 11607.3346 16901.3140 8445.7495 8698.6129 2316.0956 6847.4462 7461.1244 6727.8210 16496.1662 6404.6861 2393.9703 7595.9529 Nitrotyrosine 12263.2448 22179.9774 11013.2579 51393.3313 16419.6844 10413.6763 38332.1986 11627.3915 753323.3184 48207.8657 27484.9298 16904.2471 221194.0378 8231.8575 27725.5945 23780.0563 5305.2667 8101.3595 100621.3089 9307.4892 43369.0023 31314.4456 9953.7002 25765.3866 101536.6210 33822.8631 3559.6100 14090.1044 27722.8321 35596.3272 35011.7106 21636.3058 21056.1174 36528.2777 22172.5412 47123.2750 10943.0642 8932.1926 11248.7203 17587.3786 8642.7790 8575.9061 7413.2714 40462.2905 14005.0212 5724.1529 39625.7972 23316.1302 11348.8998 235514.2418 3842.4611 12608.7234 10684.7072 22569.6630 8017.4246 27949.0571 23093.1317 18825.3213 13954.4197 7432.3420 7390.6165 65254.8415 21394.7558 22098.8013 10553.1952 16719.7427 39049.5618 10283.7451 33342.1483 23567.5311 14258.4830 7413.1967 6816.0699 50745.9885 12035.1604 5643.8322 8982.9835 9567.5298 14461.5203 16066.6830 13387.7993 11078.6883 10106.4573 14156.3106 14948.5272 26891.4147 21288.0765 23927.1184 30301.7904 369442.4709 472302.2508 20651.0733 106715.9357 8543.4556 11944.0748 28236.7310 12985.5871 10683.7078 8839.7133 312168.5067 30644.0062 18235.9990 20799.3389 31692.7633 9498.6469 10319.1959 6708.2404 9031.9777 491905.7252 7526.2752 23582.7442 6898.6045 N-Methylhistamine 74272.5269 64462.4219 25272.8123 50982.8337 1059050.9470 11723.4164 10056.7134 22766.3516 83539.7568 78346.6597 31992.3915 114958.1646 11361.3314 17234.9478 27385.8608 25118.1215 5150.3312 55711.0857 126898.7630 40804.1341 8433.0015 21231.1216 39909.7824 8229.0638 19794.9689 70161.4221 8262.5042 8393.1661 61992.4725 22787.9108 25546.8056 34830.2198 29149.2288 9482.5589 90937.9177 22084.7312 33808.2906 9034.4077 38671.6251 54673.4251 10707.4839 14509.4304 10466.2246 30303.6217 14523.4205 14902.7535 27793.3012 14587.3408 7487.3193 388083.5139 11208.9120 47800.5761 10062.3942 14858.3137 18569.9471 65452.0658 37370.6967 15859.6695 16795.2280 45971.4434 92624.0632 16203.6295 75847.3375 21417.0352 47551.0985 40199.2977 22684.6248 130214.8340 10795.8423 15931.6321 14660.9962 91486.8628 57259.7440 28648.0791 19302.9473 13089.9425 19240.0471 27304.4745 12841.9758 24854.4517 146471.8303 16591.0193 16620.2416 10036.1949 94538.6592 1893.5342 24042.9713 803816.5971 199800.2903 74652.4087 65671.9556 550004.6592 449109.2879 14474.5475 32484.3220 14180.2207 28178.2620 20998.4891 11287.8954 23352.2329 13048.7875 130109.0024 8597.2743 118951.0118 15279.3910 21308.4028 32808.2403 5005.7380 416686.2094 60059.8327 7365.0958 75743.9249 N-Methyl-L-glutamate 416685.9024 499461.9993 55163.9716 2028607.5510 612438.7946 53071.2779 720525.6720 100449.9220 149279.7686 516526.5641 393216.9109 1118791.1590 266290.2820 355474.0393 4433132.4270 808215.9557 444278.8464 397301.8201 1034658.6980 933979.2379 1431520.9440 234447.9789 70302.6521 64057.4360 228116.0988 377666.9532 277898.5529 65061.7149 731828.3717 1124056.8100 243084.3659 660053.7112 2205255.7850 477016.0312 198097.1446 208980.9337 114482.0547 148520.8006 449978.3245 725300.0379 285480.3758 337014.3085 33775.9011 73225.8467 198243.3490 215517.7508 1214544.1620 198356.5406 94518.5270 418605.9518 121560.2179 3240927.0950 240519.2826 145004.5123 84572.7451 339239.5152 425523.0602 298334.0574 451867.5274 117211.4043 1627643.1280 319211.5529 753481.3306 968606.4803 1545238.5400 343602.6272 1640597.5280 356537.0834 489491.8769 337925.5521 1120940.3890 407628.5387 1026259.0260 316609.8546 48732.0232 53189.5992 285130.4014 275203.8640 499903.8960 1835990.1110 1028050.6360 103128.7550 2706461.9120 36526.9537 268719.4889 1303583.8330 272352.0836 1125811.4060 315685.4902 2400548.1770 526221.9646 2042446.0650 4181307.3630 618669.4696 117105.9119 344891.6086 475596.0603 215797.9629 134862.9070 36135.9467 1194260.7880 362300.0397 63435.0744 564095.3472 118604.9517 163082.3653 149916.3040 397702.6662 1388820.4290 102323.0531 598900.3160 388599.7351 N_N-Dimethyl-1_4-phenylenediamine 3891.4372 22011.9540 9247.5055 11979.1559 14048.9344 26202.3011 49286.9908 24361.2706 28906.8726 6108.2915 26622.2880 7502.9916 51748.9912 8684.7938 33108.0686 8248.9147 14190.3209 86390.2198 8939.1496 43756.7213 11187.7713 18806.3734 49792.9090 12353.0700 41784.3713 275639.8757 38841.2503 20641.9195 76231.0914 47963.0537 28607.7537 74926.1076 60081.2375 155480.2325 34585.0861 55584.8532 181882.4388 52390.1429 41905.2817 34660.9523 148311.5268 129974.2391 48382.3142 53903.6981 85935.3206 28591.2430 152544.8492 54748.1912 26816.3260 65127.5104 16058.6335 53856.9454 99123.9421 211740.4041 78443.0158 73623.7527 178600.8735 129867.0922 82485.8328 127555.0096 165114.4224 49095.6975 41785.7069 30149.3549 154011.6064 127609.5890 58306.6414 17050.8725 2420.8500 29422.5095 55453.1538 64490.5032 61210.6719 48239.3854 5025.0179 45862.7860 46922.1226 207091.2495 54419.1375 38770.4560 60396.3707 84633.1296 11770.2118 12657.4549 31186.5106 73517.0098 23984.3657 124106.1524 97458.1905 39362.9789 622338.1592 72551.3560 99694.3305 10631.2916 34589.6438 26653.2317 77585.5397 21935.5206 126966.1499 13311.7998 26711.1998 49200.0858 4996.0809 49257.1622 30506.5127 101365.6963 23845.1303 154584.0474 265681.8832 225445.0976 21464.6510 94648.2067 O-Succinyl-L-homoserine 9908.5321 21859.0779 5752.3869 8880.8242 9795.1293 5558.7492 14097.7565 15815.9316 19043.4617 5186.7937 14245.9343 12698.7347 5768.2557 35781.5376 13003.7188 10968.7049 6746.9687 6473.2269 14038.6869 7159.1919 12019.9374 3986.9470 3779.0373 2024.1898 3730.9922 9604.6503 4378.6589 1052.6661 5190.9213 36854.0036 14745.5155 4045.8481 14162.5790 6577.2082 8562.5288 9851.1953 2577.1633 841.0247 3118.8046 17669.2650 4477.5865 5013.2581 266.7567 3863.0312 3057.0774 2325.9217 9641.8103 14396.9958 1176.9803 16289.5087 4349.2112 4404.9722 6420.4957 4583.0152 3470.9032 7014.6449 8637.1960 4494.2297 5164.4772 7840.2415 12815.9067 5264.4235 4972.6564 9550.7088 6454.8089 7832.5776 19621.2601 883.0387 11746.8990 8209.9188 9907.6939 5503.4642 6716.3316 8943.1649 1497.0767 1376.4135 6359.3143 7405.5289 9382.0711 12853.5857 404.0234 2423.6778 9067.2009 3055.5608 4909.0146 733.8669 16184.2712 5697.9844 7627.6780 10208.6922 1790.0621 1117.0580 7764.0192 3293.3952 6103.1385 14440.7717 8981.3488 7835.6903 6923.8601 2430.1710 18196.1989 301.2817 2385.3227 8528.5845 2181.7742 2099.1011 11262.8377 6883.2524 8211.2909 5191.4023 5405.3538 5557.9417 Pantothenic Acid 257577.6218 380810.4692 287633.4195 75415.0893 47154.9223 63649.4750 351481.2225 103788.1494 27648.7838 380483.0409 283887.9769 947196.8146 171646.8575 578674.3996 234483.1764 165041.1100 244828.4587 900309.6443 603857.2312 515721.0500 231732.0173 105685.3374 263592.3522 99207.0174 341218.5760 180333.6824 278685.1589 72587.5239 355446.2930 238738.9889 301710.9276 1916247.3340 667994.9451 133267.0019 629444.0482 57969.7972 293360.3616 300253.8171 783770.8906 110189.0538 556208.1025 262000.0441 167615.7429 224371.3847 144249.4522 1206540.6510 454952.6344 428515.3577 365003.9817 711495.9326 290559.4625 3351113.0910 336553.5492 511335.6739 715291.3429 595018.1827 555615.3146 649704.4682 724381.6454 442271.5833 1950068.6110 469552.9903 986696.9930 476048.6567 938162.7941 426993.9820 234071.9166 426593.4074 371620.9107 168481.2739 209453.6253 498702.6110 868672.0316 225640.4837 64998.5453 113399.2182 157496.2723 755873.4574 993918.6732 339682.2581 242008.1246 757406.3999 134679.5196 138751.0042 260403.3478 3578851.2180 227603.4895 1979468.0980 175698.2925 2117746.5980 318582.6480 210577.6583 586418.0756 234037.2702 364065.3691 373961.7711 164789.7950 595906.1540 509778.5971 304362.4439 60774.1186 559519.3277 98944.3849 1026907.0400 62759.5874 592105.1666 429460.6402 1246240.1420 732352.2466 404081.9174 287928.7673 259769.0790 Paraxanthine 71472.0553 191209.5897 3827.1035 529240.8537 10271.8315 399255.8756 1867581.4940 61081.6050 190702.8079 3757.4633 1006064.1960 32735.2391 2377861.9000 79452.5122 1645941.6440 3594.8528 67873.5594 1638563.7120 98320.5445 280795.8226 438092.2633 199505.9242 308741.3429 281562.0667 1192253.1070 268455.7029 2030850.7960 582614.1926 1030972.5770 536714.4431 172071.9565 135050.5026 1786097.8150 1677098.4930 473957.2613 468115.2981 1781058.3350 2264878.7930 2043111.1160 975920.7447 464332.1308 1339087.7440 607127.3175 1505358.6670 1391678.7400 28962.6225 2223778.7910 313763.9960 3545957.3880 1125124.1720 988992.2702 3426882.4720 792369.6192 2762342.9160 1310270.3470 1568259.9320 3323400.6350 2107153.3590 2498812.8000 1469325.2350 3919375.0380 4376594.7720 1416926.2230 272014.4557 4235515.9840 1133960.5170 1269272.9180 388647.5884 10365.6923 110028.4972 1444646.3990 977960.5247 2624.6233 1091983.9250 59658.1880 1433348.6880 2161700.3480 715961.2706 2615541.3810 503624.3428 380569.6711 1928121.1670 8463.8209 296845.5284 1227349.2280 1621923.7410 1114686.1820 442856.5661 465423.8776 1652149.9880 651129.9439 5989364.9420 359302.6648 211322.0209 74268.7272 132976.9604 1697945.9250 1918903.4860 2307156.2150 1564810.4680 431503.8315 1329470.5260 210240.7923 2962346.9370 4234853.3900 7037874.1320 9022.5607 38769.2866 1370825.8720 6056127.3680 180086.4593 683464.6174 phosphoenol pyruvate 238981.9620 55616.6601 89071.3115 61170.8402 46665.9619 49436.8128 42283.7669 55474.6478 62074.2153 56170.8236 76548.3095 47215.1749 45093.0242 65741.0320 53303.8080 118405.9371 85407.9418 59923.6419 78329.6617 70752.4797 48818.8057 56168.0591 74339.2945 67539.0137 64112.8834 56917.8931 75743.9405 73885.3850 97668.6831 78394.7896 60880.5897 90141.8205 41470.4308 57265.7906 56311.9307 60056.9548 84141.6703 68851.7425 45797.1493 132319.2633 61129.6032 79646.4191 56098.0460 64587.0837 61430.3409 70669.9799 50636.2291 63970.2379 55918.8650 28719.0594 71489.9930 87890.3221 74635.6031 49407.3736 50112.2574 47732.6115 61492.7949 51526.9942 67069.1411 56676.0617 60933.6964 83956.7354 69020.8966 66905.9033 44649.6116 114065.3583 65101.1694 50312.8172 43956.3110 55276.8498 47864.7527 154055.3936 92931.5675 74471.5104 53466.8465 65081.8772 54340.7632 71390.3194 86233.8363 55554.7949 58940.7006 50179.8216 42389.2128 52114.0516 79087.3850 105198.0504 70263.0953 136621.6281 96790.7538 68449.5813 49646.6314 114362.6770 68262.6507 76691.0830 72024.4696 72278.1907 39992.9910 58842.6198 53768.1795 47917.4614 54191.3326 53605.0128 51877.7875 61840.3795 53057.2279 58716.5582 54750.0474 47450.9897 43510.8500 83097.0165 77823.1175 45822.7075 Phylloquinone 9632.2740 10481.2484 6202.9994 37965.8809 7590.0358 9479.7719 6925.9219 21583.3263 5703.7153 7016.3048 12666.8694 12204.7803 6768.2799 14522.2794 4650.6761 9335.3525 25285.2278 7095.3361 17662.9921 4098.6519 5443.6607 5903.2203 3072.1569 3150.0428 2940.9508 14002.7790 6598.9678 802.1190 5589.9157 7372.4524 2044.0452 8273.7678 6280.5425 15264.7011 3244.0391 9868.8683 6596.6160 3621.4689 9362.7303 4161.1695 7217.7387 3970.1858 4956.0869 2927.5421 5999.7145 12758.6102 6650.1779 6026.2306 3588.5696 6719.0902 2461.1966 5261.5676 6080.6586 7483.1067 6413.0834 8872.1367 6431.4041 7234.2300 9832.3009 16955.9084 11964.8032 6507.5081 4754.3598 4524.4079 8282.8330 9365.2810 7582.2652 4100.4405 6152.3799 6206.7159 6666.6428 4455.1480 15771.1609 10994.4482 5413.7416 6546.2195 16697.2001 5070.2066 58438.9506 6819.5565 18545.3082 10957.4530 15321.8802 2349.9185 6438.2081 26449.1369 266455.2413 23197.5026 6718.8969 10283.3810 18628.7636 8812.4405 7773.1057 2215.2068 5955.0813 7171.1105 6217.4089 8460.9727 11242.7125 11842.9420 37065.9153 8219.5141 2980.2958 8444.8533 6243.6284 5910.7444 8534.5707 20469.6232 9877.7493 8469.7002 4479.7345 7462.1660 Pimelic acid 342.1099 176.3451 161.8442 3563.5654 141.6479 11429.0573 370.7055 182.0622 252.1838 411.8770 613.9405 2555.9858 470.4313 439.6136 558.6036 432.2358 2443.2251 1141.6789 501.7641 835.6588 2163.0808 580.0985 1729.2698 934.3853 1974.8337 915.4144 1102.1378 2630.8583 297.4428 726.7813 150.1738 3879.8750 429.9508 1095.4448 894.3343 336.6695 289.0994 536.8724 600.2183 342.5561 425.2533 246.5752 358.7374 424.9450 323.0173 748.9362 2259.3915 3686.0769 548.9944 973.4026 1533.9757 1229.6905 507.2516 639.0863 1041.4365 1238.9797 1096.0941 2174.9957 4967.3185 612.5772 520.1268 326.7929 1279.5032 929.7467 489.9510 494.5395 374.2276 881.6901 855.0383 2458.9737 1647.3557 67556.6191 158.1992 926.0660 333.2160 1043.4286 263.1960 1300.8659 935.7621 407.7650 420.1598 1369.5615 800.8151 1922.6914 810.3795 1025.9553 802.4697 2059.5637 10728.6979 1250.9864 751.2342 962.8944 665.2169 2816.9982 21280.6852 507.8914 5742.6788 13450.2143 2806.1741 1943.6966 658.9855 1835.0699 2234.6463 454.6037 1401.5842 1907.8319 1823.7845 675.9009 2076.5898 Pterine 2880.9715 5895.1043 12732.2467 16491.2915 7207.7141 1907.4970 18018.8832 4477.2930 17775.8553 9659.4604 22456.1903 4435.0260 5086.1230 13269.6146 7848.3891 1736.7433 9121.6381 4297.3279 2655.5581 3943.7235 20272.2801 9546.8679 1179.5810 69365.1384 14871.3077 2907.9026 13596.7448 26052.9348 6408.2779 2219.9677 9415.0223 6600.9296 1089.8300 2114.5055 5541.0293 8607.5246 5531.9695 5215.9826 12297.4486 3824.4418 5610.3790 2649.5992 4087.5913 2091.8173 1387.0852 19069.1402 8930.6131 2810.4045 1822.2271 2288.0320 10274.3090 8790.4419 3099.3643 3960.4259 1795.0861 7432.8190 8246.4307 4957.8100 11825.3409 3066.4714 12949.0773 3311.1134 10881.2535 969.6632 2176.8290 3495.4300 1403.8374 14367.3123 5405.6344 4088.9580 3101.4315 3289.5177 6989.3649 64596.7327 6633.8907 4260.4196 14292.9008 9392.1739 7442.3615 10526.1632 4301.2461 5179.8041 3947.4197 4356.3769 2429.7052 1787.4715 37037.3170 2650.1116 6532.7641 9284.5008 1704.4353 3479.9162 3005.0112 4930.5399 28843.5190 4969.5301 27433.7028 8575.6116 4517.1822 1252.9383 1755.0170 4545.2648 9317.3785 8335.5575 9566.2101 1772.3399 8786.4908 9333.7289 5844.3231 1983.0765 5202.3682 2799.9595 Pyridoxamine 26201.2055 14729.4362 4738.0664 29753.2291 59387.8891 57565.3885 75021.3060 4114.8190 636382.9381 40829.7096 86278.3037 11988.2043 17931.5913 2895.9465 38431.2840 9088.7802 11230.0572 134599.8919 160392.7554 16043.1785 8219.9231 38681.9664 3705.5234 15153.6862 90283.7205 21099.3742 4256.0709 22373.4712 26115.3232 87140.8041 11164.5514 10380.3157 16161.0076 39039.4426 23149.4929 318884.2931 3867.8692 2689.6964 121045.4302 10554.4663 5255.9315 5078.8127 3627.3279 4521.5788 4525.0101 1697.9639 10307.9106 8487.0352 6870.0371 199007.3010 2508.1829 10808.7968 2730.2812 6596.8762 3039.7466 11160.6739 27651.7321 13174.1544 4096.1697 7528.0376 22576.5550 268879.8274 9065.1009 10996.8868 20491.2877 7759.1889 14449.9659 267718.1769 8521.5071 56238.2519 7940.5649 5419.6532 9926.5414 86292.7440 3077.9277 3118.6694 221215.7901 57359.5271 24548.1676 10864.7227 20995.0262 5169.1927 9169.2945 2733.2033 5112.3917 70294.6821 13638.0720 77694.0964 103360.1758 56194.6698 141942.6165 11850.3851 201250.3229 6548.3943 3799.6079 24452.8556 9670.6467 6227.9559 10499.6759 12624.3110 44543.1727 9691.9977 12490.2345 9425.9039 4578.3679 4255.7801 13050.0740 13566.2066 298228.8493 3416.7236 4102.0213 8446.6036 Pyroglutamic acid 1934729.0980 3156748.6230 6082194.4740 3946929.7360 5809864.0600 3931551.9580 2863554.4250 5645594.0040 4262860.3750 4188423.6130 4162614.6870 8954443.6350 4534051.7300 1897836.0210 4937220.3190 5555066.6640 2697184.6270 3500120.0520 6789437.2370 2118060.0210 2603494.2390 2990290.5340 2677433.6590 1479045.0400 4390028.5760 8233917.9480 2555824.0690 2363515.9340 8934462.7870 3721307.1810 4088498.2090 7310633.6610 3100971.0360 3941256.9320 6101818.9080 3814152.5880 2903379.2980 1742213.4900 3581632.9090 1515534.6370 4996667.2460 2111300.1860 6048589.6730 3026368.1250 5544612.7160 4204473.0090 3139799.2020 2047232.6010 3777588.9690 5346662.0230 3752664.1600 9788809.0400 4106103.0730 6980675.3510 6592540.9490 3025915.8470 2598436.5750 3420979.9600 3003636.3370 4397521.7570 8260291.5130 2929349.3040 4027279.2370 5394919.7320 5139359.8710 7285554.0180 4373360.6090 2146633.4760 6094169.8370 3076824.2940 4888243.5820 6654881.8410 7114631.3610 2440945.2350 792371.4941 4220640.8640 5767407.3260 2599042.6820 3691930.7250 6880938.0670 3131597.3940 4375364.5050 5807883.3540 2429470.3160 6632179.6490 3984733.1650 3539369.7530 6095418.0980 3914001.7380 4108166.1280 3540021.4650 4701474.5550 7669640.3020 2122478.3650 5595563.7740 6151163.7220 3864614.5110 5341864.4780 3808818.8550 2898927.3340 4023326.2080 3048745.7870 1711679.5990 2742703.4200 5372522.7460 7641427.0070 6219474.8070 4983723.8950 1921025.8510 4253090.7910 1325308.1800 3917404.7070 Quinoline 1112.4539 2534.7704 1643.1527 13947.4188 1699.7645 8380.5800 3894.7128 2755.9536 1989.2704 2151.9763 4902.5247 1703.0297 4185.3429 1357.9479 6062.0527 3250.1339 3286.8760 4238.3222 3514.3281 1857.8263 1584.7033 7258.1723 2722.6423 336.4087 8757.1281 2646.8197 1396.0168 463.8008 16044.3353 2737.7748 5479.5911 6374.2955 4763.1602 7060.8625 2801.2101 5876.8211 5812.2145 1970.8846 2408.6133 7070.9696 3121.2874 4356.9891 3496.9371 3558.3261 7542.1207 8477.2531 7910.1837 5130.0951 1963.9115 16351.9978 8444.5894 10546.5025 3381.7619 8751.2581 4107.7573 5286.6976 7860.3403 7996.9068 3239.8975 6587.7739 5953.2006 1618.5961 2756.8131 1938.7935 10799.0177 3760.8598 5712.9922 25984.7521 1222.2218 3137.8217 3403.7245 3134.4049 2472.1727 19232.5744 2033.2702 4595.7245 22280.3461 5557.5183 17249.4874 4817.5217 1354.5961 4177.0528 5931.0506 1592.6603 1957.5623 12555.5654 1748.0594 7078.8453 6695.5455 2890.4204 9020.8826 6215.3573 3095.2510 1556.5285 3728.7875 1521.4773 12073.9853 1464.7230 3689.0220 4225.5071 3834.9576 6259.0335 1685.4697 5889.8750 6194.3525 4721.0431 2197.9662 4088.6340 9696.1950 1042.0588 577.8020 1344.2800 Raffinose 5010.5021 12758.8588 1728.2868 46893.3726 6954.3071 8096.9757 5474.6736 5582.2116 14979.3129 5408.1841 6555.6907 2753.9257 16599.8928 5105.5125 6168.5420 4954.4332 3805.4457 31071.3449 5307.8408 8778.6824 7627.0895 21359.9269 3488.1169 4754.8276 3846.3529 6300.5539 3934.4833 2372.9387 5248.3162 11883.0029 5751.1071 3689.4955 33673.4746 3898.1136 6731.6971 18056.3859 5899.0413 2934.0151 16347.6282 4951.1265 4417.4334 3500.3687 4613.1487 5321.5168 2546.9782 2521.5378 28684.8487 9592.8909 4286.4621 13630.2686 2623.0896 10767.2327 5342.0124 4393.3856 10451.2367 7884.8982 20591.7152 11240.3973 2173.7810 12965.6965 7539.5309 11927.9443 7304.9053 8002.0646 6110.3932 10498.5211 4169.0374 27451.0831 6233.5977 21613.3936 7268.6478 4990.7163 9053.5546 12674.0147 5296.6584 3086.8995 7109.3031 21399.1650 30300.9476 5651.8555 8758.2675 63337.5682 8927.4602 12303.7442 3243.6781 8695.5479 3335.8992 6705.0709 8749.0888 14142.9242 28232.6874 3326.5059 6536.7790 3358.4064 2139.6857 3033.2094 5273.8092 3453.2706 7011.3500 22795.9437 7177.4258 12955.5119 4096.7897 17368.8066 5496.1587 15628.4690 7709.5866 17116.7804 19346.2620 16924.9402 6220.9265 3889.3543 Retinoic acid 1572.6532 1922.6181 1291.8918 4541.5419 1611.4601 708.6585 3393.3335 1140.9885 1993.3625 2034.5602 1496.6788 7935.3037 779.4761 1261.6176 2478.2835 2142.2804 183.8180 5773.7253 2973.9745 1405.0088 4782.4548 1344.8930 709.5904 2685.8467 1234.2506 3270.3200 381.1313 407.4683 2985.9603 2470.7717 1111.6819 3794.3166 1086.4984 6674.4458 12802.7818 593.6265 1235.0130 520.0918 2423.7422 4339.0005 3579.5678 1463.5349 798.7679 2440.9521 1339.0448 2130.5751 3661.5573 4478.5211 1088.7484 2187.3895 508.2537 3528.2913 831.0635 1626.7802 5317.1178 5979.4186 4165.0331 2349.3072 2453.5807 245.8979 1553.8771 687.2650 505.9405 3446.3382 2746.3570 884.2909 3570.4515 2712.0933 5409.8661 1113.9848 2299.2622 1392.3746 4637.7027 4216.0912 1248.6969 1281.5105 961.1422 3802.8014 1132.7215 2260.9715 5214.4695 2836.7012 2403.5124 841.9042 1019.2893 2071.3672 4304.4279 4759.9873 2546.1667 3856.4943 3860.6181 3009.9266 1323.4058 371.6460 1369.5093 384.7055 4462.9301 1968.5805 6978.8002 2954.0765 12123.9253 7014.0054 1227.9394 4859.6798 1388.2640 1216.8931 6755.2702 4196.4307 4801.6047 961.1040 3507.1730 3491.9127 Riboflavin (Vitamin B2) 76427.5398 178581.0963 93809.0889 566265.5302 74151.5387 78193.7084 469062.6863 84262.1635 337238.5860 121505.5748 253684.7881 58216.4765 293736.2343 182707.4802 111396.3429 283801.7328 198560.5617 215959.1774 154600.3888 268904.9005 293902.3658 43736.9276 51969.5852 82701.8820 212573.5783 50319.4704 109573.4345 40889.8363 74846.0622 147651.6828 103798.9136 89650.0504 128367.6102 146101.1099 111073.6106 42481.1960 23174.5561 101586.4815 253291.5803 83976.4313 49640.9017 420680.8002 75818.6624 51897.0658 158259.0827 599908.1731 486693.1154 184853.2870 83712.1277 167658.7230 30467.7298 89299.0475 62807.3166 221484.6377 35134.6018 339318.5614 53865.1289 362425.8259 422044.3081 137533.4347 120464.9170 246986.2105 94410.2108 126432.0019 121636.0455 91180.2428 116729.1527 127368.9359 271133.9896 80448.8967 108127.3297 222196.6722 123628.0766 207562.5820 206622.2723 57225.8201 78579.1764 92154.2262 124740.0890 524663.9453 233717.4351 124233.5034 119664.2183 49709.3155 372892.3183 147479.0496 745832.9670 181863.9950 119871.2106 308103.0369 265796.1295 178089.3870 152877.9366 56048.4525 126398.6362 267590.0555 201907.2325 73794.0166 49035.2571 70655.8739 249991.3237 326206.4897 106224.4682 208370.7678 59093.0061 51026.3397 159329.1886 99116.2502 99110.2101 272741.8694 110939.3566 236803.2679 Rosmarinic Acid 3415.8119 19819.8681 10760.8831 3728.4342 3435.4208 9839.4315 5635.2755 5432.0820 2111.9929 6910.9077 46085.6004 5074.5812 4224.2546 27424.4205 38500.6436 6943.5752 1433.0560 24141.7064 1909.0245 2856.5744 9255.0260 22324.1874 5408.0201 6312.9117 873.2125 730.1456 142.6826 1484.9298 53968.6114 73551.4323 17494.0481 18191.4885 44328.4908 41156.0416 20143.6576 1954.4610 17634.5814 6071.6764 1321.8334 1235.5515 4237.5768 4741.3428 9276.3434 17376.2228 11073.9349 4004.7534 39186.8815 1746.1410 2988.8673 1523.4081 1444.3620 26792.5811 27426.6154 15099.1625 9219.5768 13326.9065 22340.7759 8926.8911 10757.3143 3610.6056 5195.5349 3588.9747 9109.8261 77298.5897 13820.6128 21137.4287 14708.5494 11126.0419 43590.6071 1591.4844 4902.2597 21307.0230 2591.7931 20367.6200 6062.4740 13593.7063 1626.5062 4193.6874 2468.5795 112154.1980 497.4340 7503.3637 90379.7870 1900.6683 2558.6282 8218.5537 15434.8603 33432.3243 60249.6266 9709.3053 38654.1582 39318.2143 1847.4693 610.9609 5168.8989 4921.2725 11849.8158 1214.3322 2060.6424 2140.8782 7817.8658 9607.5653 3819.4825 11910.5161 1736.6854 8218.2014 3649.4501 1975.5185 7813.0312 1289.8618 7389.6282 94798.5413 S-(5-ADENOSYL)-L-METHIONINE 620152.1486 3453814.4670 2296960.2050 6387301.2720 551895.3927 1840831.9370 928321.9044 898162.0102 3073467.0130 1198687.9570 1955083.5520 2007909.0790 1435515.4200 1352677.6250 3690857.1990 473451.9011 236565.9504 1225437.5300 1869325.1050 1542679.3060 4318000.8960 355519.5384 1422058.5150 50484.6826 899292.1994 4145558.7430 489948.3573 129547.2612 303954.1804 831754.7819 1216286.1180 5070343.7050 2110612.0930 2944246.5250 1519918.7000 1643605.2050 237519.7391 85723.4573 1024615.5710 604166.9156 274922.8693 386298.2028 115328.8604 266252.1629 441347.1211 504049.6025 8052312.7390 2613126.5930 128435.0788 3531022.1660 675950.1495 393003.8361 867935.1132 685182.4087 829874.5528 694972.7930 564870.1232 2201636.4480 720776.0585 1718501.6520 2188224.7310 1341869.4900 1260703.5500 2770303.8290 241678.4642 1877771.6410 2621990.1280 496073.1286 2807926.8840 1046033.5160 2507187.6130 319938.9052 523165.9785 921650.3113 862237.0425 37552.5439 648744.8649 2093005.1380 1865605.9930 1682059.8750 3073339.9810 96010.1941 3471588.3380 188122.4353 1684517.0560 1196725.3330 2132367.4100 1117839.5500 423388.1660 3665171.6510 19424681.1300 339553.9354 2225938.2890 111044.7570 1572230.2270 2361139.6180 2100369.8750 948258.2942 1184868.6400 451528.8388 3672837.0270 6141966.4590 299511.0889 137116.7240 589753.8535 825416.1459 353915.3133 1159175.0370 1508689.8290 1233062.4170 390103.5316 309429.0374 S-Adenosylhomocysteine 384195.6766 270175.5645 568350.6269 1569175.9300 423718.4784 132988.6058 364925.8964 74334.0255 518539.8224 21344.6413 94000.3431 149969.6255 123424.4830 248404.7110 205486.5675 73414.8229 271322.9945 187246.1552 386256.7967 457473.8413 361027.0372 20036.0260 106769.4666 482359.5543 44081.9158 334577.2390 206831.9661 470462.0623 325446.4485 290317.9006 151082.1218 235929.1823 17171.2761 17923.2151 126872.6294 232555.8288 92222.8548 42425.7164 38936.1142 48571.0151 74364.1608 23882.1978 353719.2265 276471.3129 20190.6859 831177.8536 77793.6528 244269.5203 97244.7623 58160.2268 52406.5659 68897.6775 73086.7967 118871.0171 94423.2464 171026.8610 186982.7566 187480.7006 112694.3882 214582.4413 137287.1347 326061.8564 228777.4378 143959.0153 264051.0929 166409.2707 150867.3268 176523.9162 247725.2330 109446.0428 208103.7159 141407.0138 148975.9221 155824.1027 256563.6505 774695.7807 20757.7616 270444.6538 39504.5810 160003.5614 219745.8083 254477.2965 185172.6676 179022.8442 361973.9858 3320494.0960 142999.2978 201172.1094 34223.8144 155714.0048 68502.2252 80669.4641 16406.8844 75891.6494 444736.8102 396689.4372 110571.4321 70778.1600 116442.1360 201817.8190 208038.9121 98516.3602 58679.4538 218722.4813 Sarcosine 1544212.9370 4835307.4340 1439127.8160 2000916.4210 6332286.1530 224796.8557 580372.7132 517488.9613 776941.1683 2296999.3070 569021.3779 4084646.8640 118941.5733 1384068.8180 117136.3116 2966023.5910 1228765.1720 74938.4725 4110667.5540 203602.7144 2715073.3890 105994.4288 148134.7788 40462.2970 208970.6228 497304.6249 78727.6270 18166.4718 146565.3014 243318.9949 57547.9988 178451.7458 206056.7273 164189.0314 67720.0189 156063.8725 69447.5375 54818.1849 21368.2229 550334.2833 46274.2905 134681.1448 40218.6899 77276.2707 90032.0635 53277.2746 1912313.1920 181240.3785 24967.1731 459635.8696 191741.2364 153668.6044 355080.2807 127686.8488 117083.8351 75919.5920 147885.9187 271219.6091 113602.2119 90993.0310 425666.8139 137020.4276 73418.5863 202753.5805 95449.8223 206288.6546 462123.0470 21058.2831 60180.1212 84075.1289 85433.0406 104855.5654 48350.5274 1341309.1310 212862.9384 40025.1275 42157.9733 248832.9375 839056.7457 484461.6443 2019915.1110 413629.0462 437854.4304 31439.5853 1117211.5920 2449143.7870 386114.1913 334717.4099 3157037.0480 122240.1487 1518125.6690 220561.7229 1525602.4290 65132.2349 103312.9856 1130733.8830 124008.8628 240627.1789 86134.9532 29360.0767 107821.3603 53740.2962 46608.4784 86628.2607 69051.7343 183195.4572 44322.1313 184818.8557 228166.3836 52132.8345 166268.6335 53061.5259 S-(Carboxymethyl)-L-cysteine 74886.1652 53972.1142 221006.7404 2960172.0780 56660.4815 83842.0677 18981927.7300 41947.8401 72915.3813 67739.2435 246452.2947 137273.2552 24434950.5800 31424.3662 31210084.3900 180296.6524 33326.4375 45248.5202 60925.9291 36264192.1000 60689.1762 105882.1213 85209.5170 31049.6748 49386.3285 125222.0000 40807.3386 7286.7401 89408.6141 36241.2697 88795.2596 93995.6508 67659759.2100 103765.8220 157926.4948 39969516.4500 44092.1061 89835.4374 146907.3911 150910.4887 269892.7797 13592147.1900 51085.6190 73727.2520 60960.4138 27125.1281 220073.7748 135581.9018 46303.7614 237190.6236 62324.3502 12442094.1100 49225.9496 54192.4943 69151.9645 45815.3157 771604.4578 85124.7816 96230.0300 35515.2694 58303364.2100 206698.9528 23587.9623 41165984.5000 90908.3930 313537.6927 167667.8132 73213.7991 410549.9079 27148625.6000 29413239.2800 5587497.8220 67649.1332 76230.2375 22786.6861 131087.4974 11767961.5200 89398.9123 124893.5563 139904.3020 158919.3067 49937.5607 11181707.0100 13534.6929 20296054.7300 72880.3519 298648.8830 52017.0982 67491.5448 24760012.6200 231966.3769 39938137.1900 51905216.7500 11833.6799 45096.5186 3611510.1940 36578.3532 36436.0509 186667.3382 38413.2592 44276.9915 169879.6618 73116.2693 202952.3607 14234330.5500 37769418.0400 229161.9259 36918.8460 99694.3226 118526.9692 26819705.0800 11354834.5700 Serotonin 67155.6084 63027.9385 71185.7218 152299.2769 86394.9283 192993.3844 168647.3622 83156.2768 750415.3469 57949.1533 470901.4634 99968.9493 288045.0450 169857.7088 132514.8620 23225.6677 25617.2862 243922.7139 89721.2010 122567.9774 94082.6554 358916.1545 232354.7002 107713.4468 183842.9881 201295.0384 208808.6173 59427.2003 241107.1024 422901.7778 176496.0178 153890.1356 690812.9750 1046775.4670 162921.4743 414222.8433 278288.9338 72346.1993 474343.2871 338216.7709 227630.1544 216014.3632 130734.6911 315953.2557 160162.9533 14123.5145 308079.6818 356050.2896 147632.5719 262389.7040 89247.0587 871424.5166 203167.3261 152865.1890 419195.1318 250710.2000 479997.4929 295889.8405 303876.3930 330881.3428 934038.1499 308094.6199 300465.9167 209783.5089 633410.8915 457028.7575 236032.0804 175073.8993 19126.0596 74655.4475 153691.9079 181044.6537 24918.7555 159721.9150 45456.8433 154349.3906 241951.7072 407358.3874 142192.9324 214395.1341 289611.7344 238122.5788 31057.7910 137206.6755 153826.8177 171959.9162 613589.4451 258032.6593 533247.2219 332016.1178 327012.3777 236286.7871 407486.4536 20982.2567 38992.3489 116016.0260 277966.1694 164081.2379 320830.4538 99764.1274 268681.6365 371287.6723 63712.7736 569068.4185 64766.1510 186043.6815 131318.4443 73063.6045 757450.3125 1009031.2480 163662.5810 179186.4412 SPHINGOMYELIN 4859.3098 21761.4496 17335.2410 85130.4803 8010.0749 5880.7292 57238.7802 74201.9495 41983.6888 6960.5874 3182.2672 2905.3512 5449.6208 7690.6961 11478.5699 14870.3519 3120.0369 11866.9291 944.9968 2187.6574 24446.9413 9780.0319 4427.6781 2087.3560 7614.3118 3757.8149 2375.0999 1319.4724 9840.6111 16383.0401 5358.9336 56321.3954 3196.9706 18910.5223 2684.8847 1442.1264 1353.5939 1750.5322 2249.5993 7851.2104 2212.1590 1516.5381 2226.9784 7317.7625 3028.6074 6227.2512 38620.5741 23934.3218 856.7426 23976.3426 1027.8864 13981.9551 1411.3824 3351.6213 8237.1680 18547.2293 1090.2406 14102.6397 6894.2063 10883.0197 2910.2901 4380.7959 20193.0160 12847.7005 2700.0246 2550.1849 3095.0943 19098.3423 27974.1303 3501.4988 3215.4130 4503.3444 17377.5387 15596.4161 7876.5474 1007.9560 36218.0096 1929.1929 69143.9988 22724.9748 21872.4176 13037.3106 31225.7374 3020.6503 1862.3134 57958.1654 26537.7646 4127.5029 4593.7365 52947.4952 83928.3790 18090.6251 3361.6467 1375.3207 2324.2529 5286.1255 2759.8997 1739.5652 12001.8668 3020.7258 5024.0527 23645.1466 5705.8850 4961.1210 4977.0480 1096.1914 3443.0082 11383.3992 6495.6435 6948.8473 2050.7585 14361.1416 Stachyose 94512.8249 66574.8728 57731.6429 374726.4575 225936.6201 155358.8331 42991.9031 125396.1339 179006.3970 210616.1313 30450.6065 153818.7654 111001.8599 106829.4367 215106.7840 209611.7504 37817.0877 221886.1618 505061.4251 88662.1289 200161.1822 113952.0138 178314.0724 11255.8180 49643.7439 305622.5642 14487.0868 21083.4775 108538.9271 65555.5224 80092.5124 132482.6723 1190796.8770 180398.8360 83262.6737 308245.5904 108196.6520 15272.7653 92672.4367 72642.2149 62807.7447 20449.2292 34645.1021 39867.8789 59950.8428 39649.3017 352827.8707 47458.1010 10705.6550 176862.7986 16410.3877 97130.7296 36985.4693 17616.7650 63084.9849 347404.4028 121999.1696 160190.3960 141851.1647 102348.3809 138071.9456 67722.2682 40982.6010 70834.8878 59269.5918 245794.1781 161064.3220 95431.3942 166060.4089 173377.3909 182302.6935 181798.8896 471739.1751 95292.0587 54605.8742 48803.7216 82680.3103 139012.5214 196010.6174 70604.7560 174651.9062 103042.8810 137223.9337 63045.2728 69743.7161 193117.7948 84017.0014 359205.5031 367366.5542 312532.5866 310854.2211 84625.2393 153557.2606 19378.0341 41975.4787 107771.7898 229316.9863 54454.1383 214843.7862 49821.7722 109407.0274 359522.3752 44746.9161 188719.0649 32502.9698 59740.9801 132863.9790 137887.0250 179579.2776 163045.3343 64677.6080 255861.6493 Sucrose 357669.3644 2136105.8010 76025.3135 9965637.1920 2970023.3400 3181287.2970 644804.4702 526946.8144 2724520.1900 67019.4915 5743501.7770 109460.9771 4199889.7770 568381.5945 3593688.5840 10706143.1000 1201507.4580 13770652.8500 2112200.3180 4607121.1680 692643.1609 5553944.5930 2222370.9040 1853086.5360 2503771.2490 654318.4713 1890568.1650 339717.8992 1001869.8680 1199791.4280 1003231.2220 535490.5097 13652304.0500 754704.1583 2007372.4280 5741782.8870 455204.5836 441146.7734 1657101.8070 3104013.3620 1365618.7510 2241980.9630 1180426.1620 1123777.4620 1002709.2520 718488.6225 10904496.4900 714281.9103 340628.6114 3522253.6630 285929.2983 5556993.4550 501653.5523 1114522.6070 3554391.5220 896544.1897 6337086.3630 327668.9138 1107932.6140 5258790.5150 2758516.5570 2982790.6960 2352048.1600 877405.4098 5124192.6340 10064558.3100 1285326.1850 2521541.5360 5190238.0760 5103629.7580 1676558.5160 9614171.3720 5324296.6960 3521105.7500 828134.2035 4658635.0520 6843964.1820 7707234.9690 3521426.7390 4990951.7890 8077686.4650 6990192.9250 3560032.9060 2706497.2020 11862945.5200 1494758.8230 3616749.7230 11687586.3600 4427127.6910 2342020.8830 165734.2968 4336375.9690 2214968.3690 1247070.6070 2964681.2880 2969466.7880 2580993.5380 5962221.4450 2438556.9260 5605234.7290 1111843.7630 3835962.8630 3641249.1250 6403754.0810 4594157.2460 8714393.9360 1822144.6430 4614492.1820 1235464.9270 3295194.8820 Taurine 430443.9208 20096525.1300 414036.6131 938591.5621 14281437.3200 5450485.6270 5733146.4180 2287037.3720 5053335.6940 3169232.4080 12504124.7200 706421.3868 258785.4714 5042882.1800 10361303.9700 452610.3858 7722332.0530 538110.2700 11605339.6000 624356.8535 9533338.8920 154595.5508 231403.3103 1573851.0370 229627.7863 3884199.2990 234658.8206 84194.8805 9212869.1630 3355497.5330 349291.8795 10664323.0900 3926415.8520 8742185.3850 369338.1103 365727.9010 262199.1979 4478563.5600 951191.6018 17056516.3700 5741320.8870 274837.4035 417837.8620 92079.5503 374763.4532 7506649.5440 6515786.0400 473491.4712 1980194.9050 8289856.6060 1375182.9130 11913226.0700 2595129.8070 7035811.7320 307733.1625 441676.8685 202867.8311 8664439.3490 6368150.3370 1583772.2420 15147222.7000 462100.5176 119419.8015 15748389.9900 3415759.3770 2281453.4550 16122672.3100 2254589.9640 6879812.1580 6744063.8120 6654906.7260 880538.7090 10031728.7100 10449929.5400 5540633.7340 98362.7670 2568061.7800 8396507.5290 11063648.6100 2426241.4690 8385407.1780 846854.7315 8490920.5760 63807.7483 2788178.9210 15346384.8400 3364776.4410 879787.2228 1586670.2730 135785.7604 8147763.7920 1452677.9190 12043529.4800 644585.1192 726076.1193 19378588.5100 3248795.2460 1514391.3020 4277443.8910 1721199.9630 669456.8808 12062289.7700 3251477.4920 6236348.5030 116803.4344 1115027.6440 312199.7541 3370159.1170 485307.4608 271762.7978 987968.4496 2381638.7930 Thiamine monophosphate 3712.1144 9107.5099 4619.4660 9093.1971 7512.9764 7572.0256 4199.7684 13131.5425 37145.0002 10095.7919 8664.2696 6910.4237 5286.2965 3689.4277 4955.0374 6020.5363 6043.9310 3173.1364 6758.9360 6285.5687 7307.3408 7033.0323 4619.7355 2246.8823 3226.5789 11674.3947 3093.1585 1474.8284 3340.8278 10781.3170 8289.8143 9986.4076 11086.8357 11680.1659 4754.4467 6026.0523 2824.8986 1222.0780 3616.4053 2978.5778 1185.8807 3170.8885 1439.9873 1858.1571 2614.7598 3157.3522 11016.7096 7994.2588 791.6483 16927.3664 3405.6592 3072.0867 4731.7226 2763.7908 2347.6538 2534.5274 4123.9896 9535.9776 3838.9858 5217.4689 6575.5682 9613.4588 11445.5318 40700.7449 2103.2898 5291.6625 7693.0703 5424.5442 11093.4387 3696.8486 3191.8189 1712.5065 811.6878 3346.3206 5912.7548 1492.0600 4351.2026 5745.5841 6989.5124 4088.2936 4879.3063 2026.2685 9586.7824 1626.1751 1833.9656 7941.2490 3724.7619 8991.4793 3246.9494 6751.7195 17385.5493 2119.9521 5659.9933 1360.6524 3847.6616 3817.4351 6921.7947 2765.2116 3372.5079 2110.2696 8221.2304 11840.5910 2384.9369 4590.0861 2917.7355 3747.8280 2560.3126 8833.3273 7430.2093 3671.7479 3658.2678 1169.1254 Tryptamine 2125.2121 9656.2236 7088.1173 43367.9925 26792.6058 19837.2598 206703.6390 33708.6649 29823.6407 18572.4195 53345.6621 7399.2757 70962.1815 4117.0227 23486.1176 10126.0380 9162.6961 269360.4942 19230.0648 32165.5364 13081.5020 9216.9556 132873.0534 7192.3617 32946.8965 46185.4133 66415.1350 65218.7661 459985.3094 49382.4708 17909.6674 151346.1230 123126.9002 497984.7851 32799.5642 88485.0392 168091.6611 79578.1614 55681.3074 18263.2306 546398.1413 193335.5152 50900.3511 101640.3768 150269.5702 1158.4229 452033.3760 112072.1384 17847.8101 171765.6180 9171.0500 276512.6487 38669.4037 524203.1894 221778.7793 41868.6680 356187.7024 181659.0264 166366.0432 194555.7336 107797.1760 51082.3632 56267.7400 30298.2630 439057.8141 122048.8940 379601.5024 53118.9791 725.2378 40283.0958 56230.2129 41173.8461 39574.5855 35197.6040 5218.6861 125503.5420 51048.7620 1083927.3350 10946.2280 284131.0614 34622.8866 161878.1631 10291.6599 8285.7429 46712.6870 298200.8263 22100.8143 541685.6245 157658.3940 78975.3336 1146897.1400 333974.3310 34714.3299 10549.4400 75842.2484 27491.0400 102769.7302 13280.4495 53818.4803 5189.9787 42592.4107 111859.6503 4522.0997 59604.0655 19570.0455 66414.8933 20231.1175 5031.0200 1589065.7600 82628.8899 76659.3716 30151.9753 Tyramine 539468.7619 1053877.6930 100648.1121 372619.8319 318491.3544 99761.9352 6826975.6490 202526.5501 66721.5519 148430.1383 1725464.5450 427384.4338 550258.5885 107927.4598 2190971.5940 1143961.7080 158186.7642 551778.1020 146285.3539 306653.5081 103750.7246 832811.1735 656991.4322 52358.4795 57998.3356 499547.5455 153661.4875 1171506.1890 4382495.7010 1475729.4490 1209593.5980 1512765.7300 1267085.0220 5194132.5190 168476.5364 2321927.9170 1934100.3340 635661.6449 475247.4587 109167.7921 214372.6682 1007668.9210 654338.8537 2066239.4670 1728403.2830 63197.0192 2257377.7800 91017.7662 49173.1040 267883.3100 84120.5726 2927798.1370 93209.4910 2695440.9760 617234.1709 1761951.0640 1778052.2380 1094447.3230 697718.4743 222549.0797 142580.2851 105941.1632 255193.7506 329548.9474 2300038.6590 304340.2887 2982359.9520 10447864.5500 50269.4995 223897.2600 760612.1471 838655.8881 185378.8967 1718101.2300 137519.2753 1539995.9590 103577.1970 382839.3235 173088.0220 546168.9142 72935.9120 572309.9636 197752.8709 27783.6461 208279.7374 1595297.1870 361184.0731 291218.4714 1446468.4600 960460.8496 692453.7848 3850592.4600 99265.0497 661155.0912 346470.6607 114597.8446 1176419.2240 39173.8232 453235.5444 289831.6543 264045.5678 959545.5217 193367.2079 1832266.2850 34947.5038 464905.3376 178326.8940 127654.0348 2049159.2300 104019.3609 96337.3615 442933.0391 Uric acid 6654456.4270 49219296.6200 8016985.0560 45163601.4700 13326556.7900 12730339.5500 17704565.5400 19887188.0100 14712961.2700 11308760.7900 14879786.2400 7918711.5890 20966231.5500 19000319.9800 24738897.1000 50467584.2700 21544356.7800 19813676.5300 5244462.2160 20554250.6200 37276501.9500 20712065.8900 7027096.9280 6866893.0040 29992556.1400 9476915.0250 11912682.3000 4966296.0920 17963863.1200 15501412.4900 7007668.4010 23165383.0700 13769214.2300 13412900.5800 21424081.4600 16567043.9500 9173578.2750 10039800.3000 16120749.0500 16491150.6500 16947112.7400 8590183.2130 4308705.6320 10205968.1500 13810890.2400 15819589.6600 53070245.2200 43806564.7200 9569847.9930 25067858.4300 15159866.3700 19630245.9300 17235455.6600 17258440.4000 20612129.6600 19298101.8500 18003795.0800 18451093.5400 19003017.4300 21876601.3000 18408959.5300 24566296.7900 16989347.3100 24702205.1100 18338215.2900 14425810.9400 18118409.7400 16806723.5300 26946040.4000 14191016.9900 22716902.3200 20449408.2800 21860074.0600 24609924.9000 14271821.3900 7848244.6920 20636900.3800 25324807.3500 22998116.2700 49050830.5100 28040994.0500 8004790.6540 28502517.6400 7335781.0780 19432725.7300 5681508.7060 27279604.6900 15289286.2600 16790067.6500 41125792.1400 34951162.3300 16674936.8100 4848290.0180 8916015.2560 17089931.9900 10826794.4900 21379688.7400 21761498.9100 18375044.8400 18707838.8300 20140237.2600 10142425.3900 4905947.9370 17596938.9500 6099915.3650 14725652.9600 22273158.3100 318930.8950 18518879.2100 19535574.0000 18141138.0600 19680866.0700 Uridine monophosphate (UMP) 21011.0639 22159.4082 18239.7950 19884.3090 53534.8944 14527.8637 11380.0483 12892.6722 40469.5530 34345.0834 29284.2277 19985.8395 9008.9065 9620.0412 21633.2339 15477.0486 8571.6199 8022.1103 12993.6343 15683.6567 19821.0561 9510.6229 11210.1612 2045.3783 6714.8946 30542.5756 4322.4480 2765.4538 26496.2164 23495.5167 16328.4707 36438.5877 23797.9750 20621.0304 14810.0640 20625.4160 10520.1154 2675.8278 10440.1858 17486.7606 8267.9821 4481.4451 3720.1981 3809.5854 3229.7052 4669.5598 13878.3270 20744.8335 1878.7025 19754.9215 7861.3076 17678.6733 7987.8946 8104.1586 11839.8014 5298.2035 5764.3635 15549.8145 9238.9240 11967.2253 13847.1000 9114.2761 11161.2416 12898.7693 8421.9432 15797.1100 26666.1639 8179.8149 15888.1485 15542.6482 14395.0105 7108.0561 14979.4411 8649.0303 13509.7855 1980.5382 8775.1919 19980.4560 18657.1888 10510.5518 23316.7348 3881.6799 22423.1764 2673.9263 10456.5228 24925.4322 17398.7842 23711.5040 20159.9941 6900.5078 28526.5647 11092.4504 19533.4953 1391.2928 8903.2093 14695.6508 16321.2020 14538.4545 7918.9979 8521.4297 23470.9155 29227.8155 5347.5305 4396.7796 3855.4117 5386.9061 14709.4237 16074.8548 21914.6354 11820.6185 4986.8315 14972.9248 Xanthine 316936.8975 1195871.8790 137189.2072 1963337.0660 78601.3404 78453.3273 336187.7755 301989.1051 189080.5802 431120.8607 387907.0589 79376.3546 221277.7372 238659.4457 326934.5623 558163.6430 534572.0213 253292.6719 255053.4910 253223.6705 1691616.2330 239332.4363 132734.9714 281028.6492 321620.6908 222046.1755 385812.0360 78382.3232 139912.7620 192534.5011 48591.2266 430932.3886 177623.3289 329188.9109 236063.7571 162799.1804 108931.2171 86247.4752 234916.5860 297480.1257 105299.1454 229090.2297 81565.0090 64429.0389 175464.1749 1025627.2690 1267550.7090 263044.0770 72287.1951 255765.6986 119576.8216 198919.5048 97972.2498 110168.2667 168205.5827 602215.0950 44348.9877 177638.5281 254724.3486 121957.8133 396399.0207 178457.6530 4887569.3990 795541.3721 103598.6079 171661.7309 262886.2664 395792.8053 756721.1375 69112.9167 263896.8574 160234.0273 403921.5587 264351.9436 193360.4426 92204.4228 188072.3063 371233.6384 273138.0629 1008068.0700 1288731.5970 61109.1014 545476.5516 143037.2511 422625.4586 205908.5804 231762.5380 427881.0342 395257.0762 1236461.0520 4568156.9140 294728.5145 254269.5143 194864.9651 767823.2772 164366.1314 2041157.9140 113945.4501 86555.1769 132744.2342 529804.1328 639586.2718 222474.1562 85825.6067 65681.0562 117356.1934 154534.8326 264011.5830 117560.9949 83678.4796 517859.4883 318098.6286 Xanthosine 71678.5171 47024.4264 172812.2176 22802.7814 29021.3584 31476.1269 48748.7692 305812.5831 37472.8634 38806.8936 24830.3153 24894.3594 86183.6533 38266.7522 22209.5836 77269.4905 44534.6153 159349.1929 60411.7909 36671.8851 10597.2441 44280.8176 46447.9107 22411.2556 10442.4963 47825.6353 37099.6814 22494.9860 121928.0946 56584.2343 30723.3501 30063.3638 40563.5890 16144.2091 8182.0804 40444.2227 43763.1285 15584.3116 31645.1279 14162.3266 15972.4346 27828.8105 40383.7017 61851.2826 91076.7910 8950.8530 49959.2945 10626.5759 12351.9955 20440.5083 24080.6293 24365.0719 55274.6104 4420.1913 46590.3337 53805.6825 23272.2186 17247.9386 39627.7637 159217.2403 53734.5422 16527.9036 47084.5389 52117.0315 36866.2219 41209.4208 43801.5836 31786.9680 58559.4918 23893.6782 26936.1492 24675.6289 18748.3476 25261.1644 46592.6824 38342.0826 82926.7087 82775.4552 20280.6910 24134.5769 15627.1760 74951.5393 48630.6181 23488.2932 5164.0293 121345.9695 102084.9120 100097.1458 24132.5931 7912.9525 61482.5262 63981.8139 41778.4028 16227.7502 22372.3223 12901.2589 65964.8801 47542.5799 16896.9548 18405.8614 15794.6104 28976.9663 26433.0236 42927.0919 31086.4283 25048.2698 21540.8599 51009.6404 Xanthurenic acid 45668.4726 6612.0914 24210.4792 18234.2825 20111.1758 60246.3441 547395.3647 4696.3310 28879.2088 14219.5778 98798.6340 2019.5659 41354.1432 12194.6704 79322.7194 5972.4027 4610.2268 173493.7917 5946.7675 6128.5847 68810.6651 12223.3085 16457.5067 12363.3847 11964.7496 19365.1229 5944.1415 15221.0335 102042.9880 15506.3660 20892.3845 28943.1102 111710.3097 29454.9962 252513.7467 389554.1325 165729.2261 40355.1871 78049.5215 58412.2767 44549.6789 36235.1637 45347.6334 33508.9774 28414.2627 9382.0899 141985.5353 9779.7227 72495.4054 13106.8378 4631.2289 184792.1515 27166.1865 54122.9382 13592.5503 21875.1484 304907.0603 96896.3463 40686.4799 10975.1279 22164.5703 36914.8644 19962.2472 45011.4118 21859.5708 26395.8837 92223.3849 237232.8858 2236.7528 74552.1001 176507.6046 7916.9003 10044.2513 52273.1945 10375.8626 37547.7948 29865.6306 493158.3966 8028.5047 11859.8518 6663.0096 43400.7982 162179.1978 27959.9042 22094.3030 40970.3192 76507.4128 143353.4570 190460.4069 63104.8038 22333.6478 168516.7122 10555.2351 19696.7194 54883.5876 14785.7371 11391.1568 8879.8268 38309.4851 69225.7976 26052.3487 17353.8389 9785.1985 25426.6821 26691.4690 11482.7755 11835.8044 139047.4138 318215.1338 28743.9991 3413.6974 9498.8404 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE 4.2 1-Methyladenosine C02494 6.22 1-methylhistidine C01152 7.52 2',3'-Cyclic CMP C02354 8.08 2-Aminoisobutyric acid C03665 6.29 2-Aminophenol C01987 1.79 3-(2-Hydroxyphenyl)propionic acid C01198 1.74 3-(3-Indolyl)-2-oxopropanoic acid C00331 1.64 3-Carboxypropyl trimethylammonium 3.47 3-Indoleacetic Acid C00954 1.7 3-Methoxytyramine C05587 3.52 3-Methyladenine C00913 4.78 4-Guanidinobutanoate C01035 5.22 4-Hydroxy-L-proline C01015 6.96 5'-Deoxy-5'-(methylthio)adenosine C00170 4.43 5-Hydroxytryptophan C00643 6.31 5-Valerolactone C02240 1.77 6-Hydroxynicotinic acid C01020 4.2 a,a-Trehalose C01083 8.08 Acetyllysine C12989 6.11 Adenine C00147 4.43 Adenosine C00212 5.41 Adenosine5'-monophosphate C00020 8.64 a-D-Galactose 1-phosphate C00446 9.75 Aniline C00292 5.05 Arabinose 6.06 (+)-a-Tocopherol C02477 1.15 Betaine C00719 6.17 Biliverdin IX C00500 4.53 Caffeine C07481 1.69 cAMP C00575 7.82 Carnitine C00318 4.72 Carnosine C00386 7.92 cGMP C00942 8.3 Citrulline C00327 7.37 Coenzyme Q10 C11378 8.74 Corticosterone C02140 1.76 Cortisol 21-acetate C02821 1.77 Cortisone C00762 1.78 Creatine C00300 6.11 Creatinine C00791 5.14 Cysteic acid C00506 8.32 Cytosine C00380 5.9 D-Biotin C00120 3.71 D-(+)-Cellobiose , 7.83 Deoxyadenosine C00559 5.01 Deoxyadenosine monophosphate C00360 8.46 Deoxycholic acid C04483 1.57 desoxycorticosterone acetate C14554 1.37 D-Fructose 6-phosphate C00275 9.29 Diaminopimelic acid C00666 8.72 Dihydrouracil C00429 5.8 DL-Homoserine C00263 6.78 DL-pipecolic acid C00408 6.36 D-Mannose 6-phosphate C00085 9.45 Dodecanoylcarnitine 1.79 D-Ribose C00121 4.89 (-)-Epinephrine C00788 5.15 Folic acid C00504 6.02 Glucosamine C00329 7.45 Glucosaminic acid C03752 8.3 Glutamine C00064 7.24 Glutathione C00051 7.14 Glycocholic Acid C01921 4.58 Guanidineacetic acid C00581 6.28 Guanidinosuccinic Acid C03139 6.36 Guanine C00242 6.1 Guanosine C00387 6.43 Hexylglutathione C02886 5.81 Hippuric acid C01586 1.71 Histamine C00388 7.17 Homocystine C01817 8.31 Hydroxylysine C01211 8.28 Hypotaurine C00519 7.27 Hypoxanthine C00262 5.15 Indole-3-acetamide C02693 1.63 Indole-3-methyl acetate 1.76 Inosine C00294 5.79 Kynurenic acid C01717 5.04 Kynurenine C00328 5.91 L-Anserine C01262 7.47 L-Arginine C00062 7.98 L-Asparagine C00152 7.44 L-Aspartic Acid C00049 7.2 L-Cystathionine C02291 8.74 L-Cystine C00491 8.94 L-Dopa C00355 6.59 L-Glutamate C00025 6.88 L-Histidine C00135 7.88 L-Isoleucine C00407 5.64 L-Lysine C00047 7.86 L-Methionine C00073 5.66 L-Methionine sulfoximine C03510 7.49 L-Norleucine C01933 5.24 L-Ornithine C00077 8.02 L-Phenylalanine C00079 6.04 L-?-PHOSPHATIDYLCHOLINE 4.41 L-Serine C00065 7.3 L-Tryptophan C00078 5.78 L-Tyrosine C00082 6.3 Melatonin C01598 1.75 Melibiose C05402 8.29 MG(18:1(9Z)/0:0/0:0)[rac] 1.74 N6-(DELTA2-ISOPENTENYL)-ADENINE 1.77 N-Acetyl-DL-tryptophan 3.48 N-Acetyl-L-glutamic acid C00624 4.43 N-Acetylneuraminic Acid C00270 6.99 N-ALPHA-ACETYL-L-ASPARAGINE 4.91 Ne,Ne,Ne-Trimethyllysine C03793 7.3 Niacinamide C00153 3.49 Nicotinamide adenine dinucleotide (NAD) C00003 9.61 Nitrotyrosine 5.89 N-Methylhistamine 6.71 N-Methyl-L-glutamate C01046 6.55 N,N-Dimethyl-1,4-phenylenediamine C04203 1.77 O-Succinyl-L-homoserine C01118 6.47 Pantothenic Acid C00864 3.99 Paraxanthine C13747 3.52 phosphoenol pyruvate C00074 8.39 Phylloquinone C02059 1.78 Pimelic acid C02656 1.75 Pterine C00715 5.31 Pyridoxamine C00534 6.62 Pyroglutamic acid C01879 4.13 Quinoline C06413 1.78 Raffinose C00492 8.6 Retinoic acid C00777 1.38 Riboflavin (Vitamin B2) C00255 5.77 Rosmarinic Acid C01850 4.18 S-(5-ADENOSYL)-L-METHIONINE 8.26 S-Adenosylhomocysteine C00021 7.63 Sarcosine C00213 6.12 S-(Carboxymethyl)-L-cysteine C03727 6.97 Serotonin C00780 4.71 SPHINGOMYELIN 4.79 Stachyose C01613 9.41 Sucrose C00089 7.66 Taurine C00245 6.83 Thiamine monophosphate C01081 8.38 Tryptamine C00398 1.58 Tyramine C00483 3.35 Uric acid C00366 6.66 Uridine monophosphate (UMP) C00105 9.17 Xanthine C00385 5.49 Xanthosine C01762 6 Xanthurenic acid C02470 5.1 METABOLITES_END #END