#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