#METABOLOMICS WORKBENCH micaelaroy_20211227_121435 DATATRACK_ID:3008 STUDY_ID:ST002032 ANALYSIS_ID:AN003303 PROJECT_ID:PR001288
VERSION             	1
CREATED_ON             	January 3, 2022, 7:50 am
#PROJECT
PR:PROJECT_TITLE                 	Irradiation causes alterations of polyamine, purine and sulfur metabolism in red
PR:PROJECT_TITLE                 	blood cells and multiple organs
PR:PROJECT_SUMMARY               	Investigating the metabolic effects of radiation is critical to understand the
PR:PROJECT_SUMMARY               	impact of radiotherapy (e.g., for bone marrow irradiation prior to hematopoietic
PR:PROJECT_SUMMARY               	stem cell transplantation in the clinic or in laboratory studies), space travel,
PR:PROJECT_SUMMARY               	and exposure to environmental radiation. In patients undergoing hemopoietic stem
PR:PROJECT_SUMMARY               	cell transplantation, iron overload is a common risk factor for poor outcomes.
PR:PROJECT_SUMMARY               	Previous studies assert that both irradiation and iron independently modulate
PR:PROJECT_SUMMARY               	tryptophan and indole metabolism of the microbiome, which may in turn impact
PR:PROJECT_SUMMARY               	host immune response. However, no studies have interrogated the multi-organ
PR:PROJECT_SUMMARY               	effects of these treatments concurrently. Herein, we use a model that
PR:PROJECT_SUMMARY               	recapitulate transfusional iron overload, a condition often observed in
PR:PROJECT_SUMMARY               	chronically transfused patients with thalassemia, sickle cell disease, or
PR:PROJECT_SUMMARY               	myelodysplastic syndrome. We applied an omics approach to investigate the impact
PR:PROJECT_SUMMARY               	of both iron load and irradiation on the host metabolome. Our results revealed
PR:PROJECT_SUMMARY               	dose-dependent effects of irradiation in red blood cells (RBC), plasma, spleen,
PR:PROJECT_SUMMARY               	and liver energy and redox metabolism. Increases in polyamines and purine
PR:PROJECT_SUMMARY               	salvage metabolites were observed in organs with high oxygen consumption
PR:PROJECT_SUMMARY               	including the heart, kidney, and brain. Irradiation also impacted the metabolism
PR:PROJECT_SUMMARY               	of the duodenum, colon, and stool, suggesting a potential effect on the
PR:PROJECT_SUMMARY               	microbiome. Iron infusion affected the respose to radiation in the organs and
PR:PROJECT_SUMMARY               	blood, especially in RBC polyamine metabolism and spleen antioxidant metabolism,
PR:PROJECT_SUMMARY               	and affected glucose, sulfur (especially methionine and glutathione systems) and
PR:PROJECT_SUMMARY               	tryptophan metabolism in the liver, stool, and brain. Together, the results
PR:PROJECT_SUMMARY               	suggest that radiation impacts metabolism on a multi-organ level with a
PR:PROJECT_SUMMARY               	significant interaction of host iron status.
PR:INSTITUTE                     	University of Colorado Anschutz School of Medicine
PR:LAST_NAME                     	Roy
PR:FIRST_NAME                    	Micaela
PR:ADDRESS                       	1635 Aurora Ct, Aurora, CO, 80045, USA
PR:EMAIL                         	micaela.roy@cuanschutz.edu
PR:PHONE                         	303-724-3339
#STUDY
ST:STUDY_TITLE                   	Irradiation causes alterations of polyamine, purine and sulfur metabolism in red
ST:STUDY_TITLE                   	blood cells and multiple organs (Blood plasma)
ST:STUDY_SUMMARY                 	Investigating the metabolic effects of radiation is critical to understand the
ST:STUDY_SUMMARY                 	impact of radiotherapy (e.g., for bone marrow irradiation prior to hematopoietic
ST:STUDY_SUMMARY                 	stem cell transplantation in the clinic or in laboratory studies), space travel,
ST:STUDY_SUMMARY                 	and exposure to environmental radiation. In patients undergoing hemopoietic stem
ST:STUDY_SUMMARY                 	cell transplantation, iron overload is a common risk factor for poor outcomes.
ST:STUDY_SUMMARY                 	Previous studies assert that both irradiation and iron independently modulate
ST:STUDY_SUMMARY                 	tryptophan and indole metabolism of the microbiome, which may in turn impact
ST:STUDY_SUMMARY                 	host immune response. However, no studies have interrogated the multi-organ
ST:STUDY_SUMMARY                 	effects of these treatments concurrently. Herein, we use a model that
ST:STUDY_SUMMARY                 	recapitulate transfusional iron overload, a condition often observed in
ST:STUDY_SUMMARY                 	chronically transfused patients with thalassemia, sickle cell disease, or
ST:STUDY_SUMMARY                 	myelodysplastic syndrome. We applied an omics approach to investigate the impact
ST:STUDY_SUMMARY                 	of both iron load and irradiation on the host metabolome. Our results revealed
ST:STUDY_SUMMARY                 	dose-dependent effects of irradiation in red blood cells (RBC), plasma, spleen,
ST:STUDY_SUMMARY                 	and liver energy and redox metabolism. Increases in polyamines and purine
ST:STUDY_SUMMARY                 	salvage metabolites were observed in organs with high oxygen consumption
ST:STUDY_SUMMARY                 	including the heart, kidney, and brain. Irradiation also impacted the metabolism
ST:STUDY_SUMMARY                 	of the duodenum, colon, and stool, suggesting a potential effect on the
ST:STUDY_SUMMARY                 	microbiome. Iron infusion affected the respose to radiation in the organs and
ST:STUDY_SUMMARY                 	blood, especially in RBC polyamine metabolism and spleen antioxidant metabolism,
ST:STUDY_SUMMARY                 	and affected glucose, sulfur (especially methionine and glutathione systems) and
ST:STUDY_SUMMARY                 	tryptophan metabolism in the liver, stool, and brain. Together, the results
ST:STUDY_SUMMARY                 	suggest that radiation impacts metabolism on a multi-organ level with a
ST:STUDY_SUMMARY                 	significant interaction of host iron status.
ST:INSTITUTE                     	University of Colorado Anschutz School of Medicine
ST:LAST_NAME                     	Roy
ST:FIRST_NAME                    	Micaela
ST:ADDRESS                       	1635 Aurora Ct, Aurora, CO, 80045, USA
ST:EMAIL                         	micaela.roy@cuanschutz.edu
ST:PHONE                         	303-724-3339
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-1
SUBJECT_SAMPLE_FACTORS           	-	2	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-2
SUBJECT_SAMPLE_FACTORS           	-	3	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-3
SUBJECT_SAMPLE_FACTORS           	-	4	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-4
SUBJECT_SAMPLE_FACTORS           	-	6	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-5
SUBJECT_SAMPLE_FACTORS           	-	7	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-6
SUBJECT_SAMPLE_FACTORS           	-	8	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-7
SUBJECT_SAMPLE_FACTORS           	-	9	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-8
SUBJECT_SAMPLE_FACTORS           	-	10	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM3-9
SUBJECT_SAMPLE_FACTORS           	-	11	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-10
SUBJECT_SAMPLE_FACTORS           	-	13	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-11
SUBJECT_SAMPLE_FACTORS           	-	14	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-12
SUBJECT_SAMPLE_FACTORS           	-	15	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-13
SUBJECT_SAMPLE_FACTORS           	-	16	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-14
SUBJECT_SAMPLE_FACTORS           	-	17	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-15
SUBJECT_SAMPLE_FACTORS           	-	18	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-16
SUBJECT_SAMPLE_FACTORS           	-	19	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-17
SUBJECT_SAMPLE_FACTORS           	-	20	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM3-18
SUBJECT_SAMPLE_FACTORS           	-	21	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-19
SUBJECT_SAMPLE_FACTORS           	-	22	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-20
SUBJECT_SAMPLE_FACTORS           	-	23	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-21
SUBJECT_SAMPLE_FACTORS           	-	24	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-22
SUBJECT_SAMPLE_FACTORS           	-	25	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-23
SUBJECT_SAMPLE_FACTORS           	-	26	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-24
SUBJECT_SAMPLE_FACTORS           	-	27	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-25
SUBJECT_SAMPLE_FACTORS           	-	28	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-26
SUBJECT_SAMPLE_FACTORS           	-	29	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-27
SUBJECT_SAMPLE_FACTORS           	-	30	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM3-28
SUBJECT_SAMPLE_FACTORS           	-	31	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-29
SUBJECT_SAMPLE_FACTORS           	-	32	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-30
SUBJECT_SAMPLE_FACTORS           	-	33	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-31
SUBJECT_SAMPLE_FACTORS           	-	34	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-32
SUBJECT_SAMPLE_FACTORS           	-	35	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-33
SUBJECT_SAMPLE_FACTORS           	-	36	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-34
SUBJECT_SAMPLE_FACTORS           	-	37	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-35
SUBJECT_SAMPLE_FACTORS           	-	38	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-36
SUBJECT_SAMPLE_FACTORS           	-	39	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-37
SUBJECT_SAMPLE_FACTORS           	-	40	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM3-38
SUBJECT_SAMPLE_FACTORS           	-	41	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-39
SUBJECT_SAMPLE_FACTORS           	-	42	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-40
SUBJECT_SAMPLE_FACTORS           	-	43	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-41
SUBJECT_SAMPLE_FACTORS           	-	44	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-42
SUBJECT_SAMPLE_FACTORS           	-	45	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-43
SUBJECT_SAMPLE_FACTORS           	-	46	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-44
SUBJECT_SAMPLE_FACTORS           	-	47	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-45
SUBJECT_SAMPLE_FACTORS           	-	48	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-46
SUBJECT_SAMPLE_FACTORS           	-	49	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-47
SUBJECT_SAMPLE_FACTORS           	-	50	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM3-48
SUBJECT_SAMPLE_FACTORS           	-	51	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-49
SUBJECT_SAMPLE_FACTORS           	-	52	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-50
SUBJECT_SAMPLE_FACTORS           	-	53	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-51
SUBJECT_SAMPLE_FACTORS           	-	54	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-52
SUBJECT_SAMPLE_FACTORS           	-	55	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-53
SUBJECT_SAMPLE_FACTORS           	-	56	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-54
SUBJECT_SAMPLE_FACTORS           	-	57	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-55
SUBJECT_SAMPLE_FACTORS           	-	58	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-56
SUBJECT_SAMPLE_FACTORS           	-	59	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-57
SUBJECT_SAMPLE_FACTORS           	-	60	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM3-58
#COLLECTION
CO:COLLECTION_SUMMARY            	At day +4 post irradiation, mice were euthanized and blood was collected by
CO:COLLECTION_SUMMARY            	cardiac puncture in heparinized syringe. Plasma obtained after centrifugation at
CO:COLLECTION_SUMMARY            	4500 g for 10 minutes at +4°C
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	After one week of acclimatization in a pathogen-free facility, cohorts of mice
TR:TREATMENT_SUMMARY             	were retro-orbitally infused with phosphate buffer saline (PBS) or 12.5 mg of
TR:TREATMENT_SUMMARY             	iron dextran (Henry Shein Animal Health, Dublin, OH), twice a week for 2 weeks
TR:TREATMENT_SUMMARY             	for a total of 50 mg of iron. After 2 days of rest, mice were then divided in
TR:TREATMENT_SUMMARY             	groups and irradiated with 7, 8, 9, 10, 11 Gy of C-137 (n=5 per group). Total
TR:TREATMENT_SUMMARY             	dose was split in 2 doses 3 hours apart.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	A volume of 50μl of frozen plasma was extracted in 450μl of
SP:SAMPLEPREP_SUMMARY            	methanol:acetonitrile:water (5:3:2, v/v/v).29 After vortexing at 4°C for 30
SP:SAMPLEPREP_SUMMARY            	min, extracts were separated from the protein pellet by centrifugation for 10
SP:SAMPLEPREP_SUMMARY            	min at 10,000g at 4°C and stored at −80°C until analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Samples (10uL injection for cells, 20uL injection for SUPs) were introduced to
MS:MS_COMMENTS                   	the MS via electrospray ionization with the MS scanning in full MS mode (2
MS:MS_COMMENTS                   	µscans) and ddMS2 (top15) over the range of 65-950 m/z. Technical replicates
MS:MS_COMMENTS                   	were injected every six to twelve samples to ensure instrument stability.
MS:MS_COMMENTS                   	Metabolites were manually selected integrated with Maven (Princeton University)
MS:MS_COMMENTS                   	in conjunction with the KEGG database. Peak quality was determined using blanks,
MS:MS_COMMENTS                   	technical mixes, and 13C abundance.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area top 
MS_METABOLITE_DATA_START
Samples	1	2	3	4	6	7	8	9	10	11	13	14	15	16	17	18	19	20	21	22	23	24	25	26	27	28	29	30	31	32	33	34	35	36	37	38	39	40	41	42	43	44	45	46	47	48	49	50	51	52	53	54	55	56	57	58	59	60
Factors	Treatment:Saline | Radiation Dose:no irradiated	Treatment:Saline | Radiation Dose:no irradiated	Treatment:Saline | Radiation Dose:no irradiated	Treatment:Saline | Radiation Dose:no irradiated	Treatment:IV iron | Radiation Dose:no irradiated	Treatment:IV iron | Radiation Dose:no irradiated	Treatment:IV iron | Radiation Dose:no irradiated	Treatment:IV iron | Radiation Dose:no irradiated	Treatment:IV iron | Radiation Dose:no irradiated	Treatment:Saline | Radiation Dose:Gy7	Treatment:Saline | Radiation Dose:Gy7	Treatment:Saline | Radiation Dose:Gy7	Treatment:Saline | Radiation Dose:Gy7	Treatment:IV iron | Radiation Dose:Gy7	Treatment:IV iron | Radiation Dose:Gy7	Treatment:IV iron | Radiation Dose:Gy7	Treatment:IV iron | Radiation Dose:Gy7	Treatment:IV iron | Radiation Dose:Gy7	Treatment:Saline | Radiation Dose:Gy8	Treatment:Saline | Radiation Dose:Gy8	Treatment:Saline | Radiation Dose:Gy8	Treatment:Saline | Radiation Dose:Gy8	Treatment:Saline | Radiation Dose:Gy8	Treatment:IV iron | Radiation Dose:Gy8	Treatment:IV iron | Radiation Dose:Gy8	Treatment:IV iron | Radiation Dose:Gy8	Treatment:IV iron | Radiation Dose:Gy8	Treatment:IV iron | Radiation Dose:Gy8	Treatment:Saline | Radiation Dose:Gy9	Treatment:Saline | Radiation Dose:Gy9	Treatment:Saline | Radiation Dose:Gy9	Treatment:Saline | Radiation Dose:Gy9	Treatment:Saline | Radiation Dose:Gy9	Treatment:IV iron | Radiation Dose:Gy9	Treatment:IV iron | Radiation Dose:Gy9	Treatment:IV iron | Radiation Dose:Gy9	Treatment:IV iron | Radiation Dose:Gy9	Treatment:IV iron | Radiation Dose:Gy9	Treatment:Saline | Radiation Dose:Gy10	Treatment:Saline | Radiation Dose:Gy10	Treatment:Saline | Radiation Dose:Gy10	Treatment:Saline | Radiation Dose:Gy10	Treatment:Saline | Radiation Dose:Gy10	Treatment:IV iron | Radiation Dose:Gy10	Treatment:IV iron | Radiation Dose:Gy10	Treatment:IV iron | Radiation Dose:Gy10	Treatment:IV iron | Radiation Dose:Gy10	Treatment:IV iron | Radiation Dose:Gy10	Treatment:Saline | Radiation Dose:Gy11	Treatment:Saline | Radiation Dose:Gy11	Treatment:Saline | Radiation Dose:Gy11	Treatment:Saline | Radiation Dose:Gy11	Treatment:Saline | Radiation Dose:Gy11	Treatment:IV iron | Radiation Dose:Gy11	Treatment:IV iron | Radiation Dose:Gy11	Treatment:IV iron | Radiation Dose:Gy11	Treatment:IV iron | Radiation Dose:Gy11	Treatment:IV iron | Radiation Dose:Gy11
L-alanine	2.08E+07	3.39E+07	3.55E+07	3.69E+07	2.68E+07	2.84E+07	3.10E+07	3.13E+07	3.17E+07	2.69E+07	4.46E+07	4.14E+07	1.42E+07	3.18E+07	3.49E+07	3.85E+07	3.66E+07	4.70E+07	1.70E+07	3.41E+07	2.07E+07	3.62E+07	3.71E+07	2.09E+07	3.32E+07	2.77E+07	3.12E+07	2.03E+07	2.78E+07	3.32E+07	4.07E+07	3.57E+07	4.51E+07	1.71E+07	8.94E+06	3.40E+07	3.76E+07	3.08E+07	1.96E+07	1.83E+07	3.89E+07	6.16E+07	6.15E+07	2.55E+07	2.97E+07	4.50E+07	4.40E+07	3.19E+07	3.78E+07	4.21E+07	2.45E+07	4.35E+07	3.67E+07	2.90E+07	2.50E+07	3.57E+07	4.45E+07	1.21E+07
L-arginine	7.46E+06	9.83E+06	8.95E+06	8.57E+06	4.15E+06	4.89E+06	5.79E+06	5.52E+06	4.76E+06	7.01E+06	9.29E+06	5.37E+06	2.84E+06	3.83E+06	5.42E+06	6.76E+06	6.72E+06	5.80E+06	5.97E+06	7.48E+06	5.23E+06	4.87E+06	6.59E+06	4.34E+06	4.05E+06	4.42E+06	3.92E+06	3.88E+04	7.88E+06	7.68E+06	5.50E+06	7.38E+06	7.16E+06	2.16E+06	5.28E+06	3.18E+06	4.24E+06	5.92E+06	8.18E+06	6.36E+06	6.74E+06	5.94E+06	6.82E+06	1.38E+06	6.04E+06	6.18E+06	3.54E+06	2.45E+06	7.68E+06	7.22E+06	6.37E+06	5.46E+06	6.86E+06	4.86E+06	3.48E+06	5.68E+06	4.52E+06	7.70E+06
L-asparagine	7.90E+05	1.05E+06	5.77E+05	6.78E+05	4.01E+05	3.95E+05	4.60E+05	3.89E+05	3.91E+05	3.77E+05	6.97E+05	5.96E+05	1.84E+05	3.95E+05	4.34E+05	3.87E+05	4.06E+05	5.09E+05	5.63E+05	5.39E+05	3.30E+05	4.34E+05	4.33E+05	3.03E+05	4.70E+05	3.42E+05	3.14E+05	5.47E+05	4.94E+05	4.17E+05	5.10E+05	5.84E+05	5.19E+05	3.46E+05	7.81E+05	4.73E+05	4.09E+05	3.96E+05	4.38E+05	5.13E+05	5.51E+05	9.23E+05	6.06E+05	5.42E+05	4.22E+05	5.33E+05	4.17E+05	5.32E+05	6.63E+05	7.03E+05	4.54E+05	4.26E+05	3.79E+05	5.03E+05	3.67E+05	3.73E+05	5.15E+05	8.48E+05
L-aspartate	9.78E+04	1.08E+05	1.34E+05	8.29E+04	7.66E+04	1.25E+05	1.13E+05	1.04E+05	1.47E+05	8.06E+04	7.09E+04	3.68E+05	7.38E+04	1.28E+05	5.00E+04	1.77E+05	1.44E+05	1.50E+05	2.62E+05	1.44E+05	5.94E+04	1.62E+05	1.16E+05	1.24E+05	1.37E+05	6.90E+04	1.03E+05	1.11E+05	1.58E+05	9.30E+04	4.11E+05	1.74E+05	2.00E+05	2.40E+05	1.12E+05	1.36E+05	1.48E+05	1.21E+05	1.62E+05	1.99E+05	1.81E+05	7.72E+05	5.78E+05	9.36E+04	1.63E+05	2.45E+05	2.99E+05	1.40E+05	1.60E+05	1.65E+05	2.23E+05	1.70E+05	1.22E+05	1.89E+05	1.27E+05	1.15E+05	1.91E+05	3.21E+05
L-glutamate	6.17E+05	5.52E+05	5.20E+05	3.64E+05	5.12E+05	7.12E+05	5.48E+05	4.85E+05	5.33E+05	4.48E+05	4.51E+05	7.50E+05	2.45E+05	6.10E+05	3.57E+05	6.00E+05	5.29E+05	6.07E+05	7.38E+05	5.55E+05	2.74E+05	4.44E+05	3.49E+05	4.84E+05	5.15E+05	3.94E+05	4.73E+05	5.66E+05	6.43E+05	4.71E+05	7.49E+05	5.13E+05	5.16E+05	5.95E+05	5.78E+05	7.10E+05	6.64E+05	4.85E+05	4.76E+05	4.16E+05	5.30E+05	1.02E+06	6.73E+05	6.75E+05	6.87E+05	6.52E+05	7.69E+05	6.13E+05	5.12E+05	4.79E+05	6.00E+05	5.74E+05	4.53E+05	5.97E+05	4.76E+05	4.46E+05	5.88E+05	7.99E+05
L-glutamine	1.34E+07	1.04E+07	1.02E+07	1.18E+07	9.35E+06	1.08E+07	9.00E+06	8.94E+06	1.05E+07	1.70E+07	8.77E+06	1.23E+07	4.79E+06	1.07E+07	8.91E+06	1.03E+07	7.79E+06	8.29E+06	1.63E+07	9.23E+06	7.26E+06	9.55E+06	1.01E+07	1.16E+07	1.01E+07	8.36E+06	9.21E+06	8.30E+06	1.26E+07	8.10E+06	9.72E+06	1.06E+07	1.06E+07	1.05E+07	8.76E+06	7.61E+06	8.72E+06	8.01E+06	1.28E+07	7.74E+06	9.79E+06	1.00E+07	1.17E+07	8.59E+06	9.41E+06	1.04E+07	8.19E+06	8.43E+06	1.07E+07	9.58E+06	7.92E+06	8.77E+06	9.86E+06	9.99E+06	7.47E+06	8.96E+06	1.28E+07	1.44E+07
L-histidine	2.46E+06	2.99E+06	2.79E+06	2.91E+06	1.44E+06	1.68E+06	1.41E+06	1.93E+06	2.22E+06	2.98E+06	2.97E+06	2.93E+06	1.11E+06	2.27E+06	1.75E+06	2.45E+06	2.27E+06	2.53E+06	2.28E+06	2.89E+06	1.98E+06	2.69E+06	2.83E+06	1.89E+06	1.90E+06	1.89E+06	1.88E+06	2.02E+06	2.66E+06	2.14E+06	3.17E+06	2.93E+06	2.78E+06	1.47E+06	9.82E+05	2.77E+06	2.14E+06	2.33E+06	3.11E+06	2.56E+06	2.83E+06	3.09E+06	3.04E+06	2.06E+06	1.69E+06	2.21E+06	2.53E+06	2.56E+06	2.77E+06	3.05E+06	1.76E+06	2.49E+06	2.11E+06	2.19E+06	1.69E+06	1.20E+06	2.19E+06	1.38E+06
L-leucine/isoleucine	8.64E+07	1.36E+08	1.14E+08	9.69E+07	7.98E+07	8.81E+07	8.34E+07	8.08E+07	7.31E+07	7.46E+07	1.41E+08	1.15E+08	3.49E+07	7.37E+07	9.32E+07	7.89E+07	7.35E+07	7.92E+07	6.65E+07	1.06E+08	5.07E+07	9.22E+07	8.17E+07	7.53E+07	7.70E+07	8.14E+07	6.87E+07	8.18E+07	8.87E+07	8.45E+07	8.93E+07	8.94E+07	7.67E+07	6.19E+07	7.11E+07	7.70E+07	9.47E+07	7.82E+07	7.00E+07	7.25E+07	9.48E+07	1.12E+08	1.12E+08	5.82E+07	8.91E+07	8.53E+07	7.88E+07	9.02E+07	8.32E+07	8.60E+07	5.62E+07	8.86E+07	6.25E+07	1.19E+08	1.11E+08	4.71E+07	6.26E+07	8.29E+07
L-lysine	9.87E+06	1.50E+07	1.06E+07	1.54E+07	6.10E+06	8.69E+06	6.66E+06	1.02E+07	8.81E+06	8.53E+06	1.07E+07	1.03E+07	2.65E+06	7.91E+06	5.57E+06	9.56E+06	7.86E+06	8.73E+06	1.22E+07	1.31E+07	6.48E+06	8.42E+06	8.97E+06	8.92E+06	6.51E+06	5.33E+06	7.77E+06	7.88E+06	1.22E+07	7.18E+06	1.14E+07	1.15E+07	1.11E+07	5.92E+06	7.09E+06	7.43E+06	8.64E+06	1.09E+07	1.22E+07	1.07E+07	1.01E+07	1.38E+07	1.03E+07	4.81E+06	7.21E+06	9.86E+06	8.43E+06	6.44E+06	1.08E+07	1.03E+07	5.89E+06	7.24E+06	7.47E+06	1.01E+07	5.36E+06	7.60E+06	8.31E+06	1.22E+07
L-methionine	1.37E+07	1.83E+07	1.84E+07	1.66E+07	1.06E+07	9.79E+06	1.41E+07	8.43E+06	8.85E+06	1.12E+07	1.90E+07	9.50E+06	4.41E+06	8.38E+06	1.09E+07	9.76E+06	9.99E+06	1.42E+07	9.26E+06	1.28E+07	7.89E+06	9.50E+06	8.60E+06	7.02E+06	8.02E+06	6.76E+06	6.87E+06	7.66E+06	1.94E+07	1.42E+07	1.45E+07	1.31E+07	1.15E+07	5.72E+06	2.81E+06	1.20E+07	8.49E+06	1.14E+07	1.14E+07	7.71E+06	1.11E+07	2.78E+07	2.31E+07	1.13E+07	7.20E+06	9.64E+06	1.03E+07	1.19E+07	1.61E+07	1.08E+07	6.50E+06	1.30E+07	1.14E+07	9.98E+06	7.69E+06	6.69E+06	6.97E+06	4.29E+06
L-phenylalanine	1.49E+07	1.94E+07	1.72E+07	1.42E+07	1.34E+07	1.37E+07	1.22E+07	1.12E+07	1.10E+07	1.37E+07	2.23E+07	1.66E+07	6.28E+06	1.38E+07	1.65E+07	1.33E+07	1.32E+07	1.43E+07	1.43E+07	1.84E+07	9.95E+06	1.71E+07	1.36E+07	1.59E+07	1.37E+07	1.41E+07	1.28E+07	1.78E+07	1.73E+07	1.42E+07	1.50E+07	1.36E+07	1.07E+07	1.01E+07	1.07E+07	1.77E+07	1.38E+07	1.25E+07	1.20E+07	1.23E+07	1.48E+07	1.73E+07	1.91E+07	2.08E+07	1.68E+07	1.58E+07	1.46E+07	2.02E+07	1.72E+07	1.47E+07	9.50E+06	1.63E+07	1.30E+07	1.92E+07	2.01E+07	9.11E+06	1.15E+07	1.37E+07
L-proline	3.43E+07	5.35E+07	5.25E+07	5.48E+07	2.94E+07	2.93E+07	3.79E+07	2.90E+07	3.13E+07	3.73E+07	5.93E+07	4.18E+07	1.61E+07	3.63E+07	3.91E+07	3.23E+07	3.46E+07	3.77E+07	2.96E+07	4.25E+07	2.48E+07	3.47E+07	3.54E+07	2.29E+07	3.08E+07	2.46E+07	2.57E+07	2.95E+07	5.00E+07	3.88E+07	5.23E+07	4.54E+07	4.79E+07	1.98E+07	1.57E+07	4.78E+07	3.34E+07	3.33E+07	3.56E+07	3.17E+07	4.37E+07	8.56E+07	6.33E+07	3.92E+07	2.93E+07	4.26E+07	4.02E+07	4.08E+07	4.97E+07	4.99E+07	2.86E+07	4.89E+07	3.60E+07	3.58E+07	2.40E+07	3.18E+07	3.85E+07	1.98E+07
L-serine	9.00E+05	1.30E+06	1.04E+06	1.15E+06	6.85E+05	8.52E+05	8.85E+05	7.39E+05	7.98E+05	9.71E+05	1.55E+06	1.21E+06	5.29E+05	9.23E+05	1.04E+06	1.02E+06	1.04E+06	1.22E+06	1.09E+06	1.38E+06	8.08E+05	1.04E+06	1.22E+06	6.67E+05	9.59E+05	8.47E+05	9.42E+05	7.04E+05	1.31E+06	1.18E+06	1.25E+06	1.41E+06	1.60E+06	5.15E+05	3.12E+05	7.50E+05	9.57E+05	8.62E+05	9.85E+05	7.32E+05	1.29E+06	1.90E+06	1.49E+06	7.42E+05	8.32E+05	1.03E+06	1.09E+06	1.10E+06	1.46E+06	1.36E+06	7.85E+05	1.35E+06	1.20E+06	9.44E+05	7.41E+05	8.06E+05	7.62E+05	5.07E+05
L-threonine	3.99E+06	6.29E+06	4.82E+06	4.24E+06	2.27E+06	2.94E+06	3.65E+06	2.57E+06	2.42E+06	4.62E+06	6.10E+06	4.07E+06	1.56E+06	2.51E+06	2.75E+06	3.34E+06	2.31E+06	3.43E+06	3.00E+06	3.38E+06	2.67E+06	3.13E+06	3.11E+06	2.14E+06	2.75E+06	1.72E+06	2.30E+06	2.74E+06	5.76E+06	4.33E+06	4.64E+06	5.06E+06	6.05E+06	1.96E+06	1.86E+06	2.13E+06	3.22E+06	3.02E+06	3.96E+06	2.69E+06	4.82E+06	7.63E+06	5.85E+06	2.11E+06	2.18E+06	2.74E+06	2.79E+06	2.23E+06	4.05E+06	4.98E+06	3.06E+06	4.32E+06	4.07E+06	3.75E+06	2.56E+06	2.51E+06	2.79E+06	3.16E+06
L-tryptophan	7.05E+07	7.37E+07	6.54E+07	6.03E+07	4.62E+07	5.47E+07	3.70E+07	3.96E+07	4.42E+07	7.45E+07	5.79E+07	6.19E+07	3.67E+07	7.50E+07	4.42E+07	6.89E+07	6.12E+07	4.83E+07	6.89E+07	7.33E+07	5.78E+07	4.74E+07	4.60E+07	6.18E+07	5.55E+07	4.33E+07	4.89E+07	5.79E+07	1.20E+08	5.16E+07	6.35E+07	6.53E+07	6.83E+07	3.97E+07	6.53E+07	6.50E+07	6.22E+07	4.71E+07	7.64E+07	7.46E+07	5.99E+07	7.30E+07	5.98E+07	4.81E+07	6.17E+07	6.14E+07	4.42E+07	3.84E+07	9.33E+07	7.02E+07	5.19E+07	3.85E+07	5.50E+07	6.64E+07	4.44E+07	4.19E+07	4.53E+07	4.03E+07
L-tyrosine	1.03E+07	1.05E+07	9.65E+06	7.77E+06	6.15E+06	4.99E+06	4.40E+06	3.18E+06	4.50E+06	6.89E+06	1.03E+07	7.97E+06	3.80E+06	5.42E+06	6.26E+06	4.69E+06	4.77E+06	3.74E+06	9.90E+06	1.12E+07	3.90E+06	6.02E+06	7.51E+06	5.91E+06	6.12E+06	5.91E+06	5.02E+06	1.03E+07	8.70E+06	7.20E+06	6.99E+06	6.49E+06	5.45E+06	5.18E+06	2.11E+06	8.81E+06	5.62E+06	4.57E+06	7.02E+06	5.09E+06	7.32E+06	1.30E+07	1.20E+07	1.04E+07	5.45E+06	6.70E+06	6.39E+06	1.34E+07	7.76E+06	8.97E+06	3.35E+06	8.49E+06	5.83E+06	8.33E+06	8.09E+06	2.46E+06	2.71E+06	2.31E+06
L-valine	1.47E+08	1.92E+08	1.75E+08	1.71E+08	1.24E+08	1.30E+08	1.20E+08	1.25E+08	1.19E+08	2.00E+08	2.16E+08	2.12E+08	7.26E+07	1.29E+08	1.33E+08	1.36E+08	1.24E+08	1.58E+08	1.80E+08	1.88E+08	1.37E+08	1.65E+08	1.58E+08	1.34E+08	1.36E+08	1.14E+08	1.08E+08	1.73E+08	1.99E+08	1.87E+08	2.54E+08	2.21E+08	2.00E+08	9.22E+07	7.89E+07	1.89E+08	1.45E+08	1.63E+08	2.40E+08	1.57E+08	1.89E+08	2.90E+08	2.33E+08	1.82E+08	1.42E+08	1.73E+08	1.83E+08	2.05E+08	2.10E+08	2.07E+08	1.32E+08	2.32E+08	1.88E+08	1.64E+08	1.32E+08	8.30E+07	1.04E+08	8.97E+07
L-cystine	2.25E+05	2.37E+05	2.30E+05	3.28E+05	2.01E+05	2.34E+05	2.71E+05	3.41E+05	3.61E+05	2.43E+05	5.70E+05	6.03E+05	2.25E+05	3.56E+05	4.57E+05	5.57E+05	6.20E+05	5.92E+05	4.10E+05	6.01E+05	3.79E+05	4.92E+05	6.93E+05	5.66E+05	6.12E+05	6.23E+05	5.35E+05	4.96E+05	2.38E+05	3.80E+05	4.39E+05	6.16E+05	3.88E+05	2.25E+05	2.74E+05	2.33E+05	4.73E+05	5.80E+05	4.17E+05	3.83E+05	6.60E+05	4.17E+05	6.38E+05	2.54E+05	7.12E+05	7.00E+05	5.12E+05	4.46E+05	4.23E+05	6.49E+05	5.65E+05	5.22E+05	5.09E+05	6.14E+05	5.62E+05	5.08E+05	4.38E+05	6.29E+05
Cytosine	1.78E+05	2.03E+05	1.55E+05	1.47E+05	1.80E+05	1.67E+05	1.19E+05	2.26E+05	2.55E+05	1.48E+05	1.44E+05	1.31E+05	3.67E+04	1.73E+05	9.04E+04	5.93E+04	9.23E+04	7.93E+04	1.42E+05	1.70E+05	3.65E+04	1.42E+05	1.16E+05	1.24E+05	1.11E+05	8.27E+04	8.47E+04	4.99E+04	1.15E+05	1.06E+05	8.29E+04	9.04E+04	8.03E+04	1.06E+05	1.03E+05	1.32E+05	1.93E+05	1.32E+05	8.28E+04	6.72E+04	1.13E+05	2.13E+05	1.15E+05	1.12E+05	1.12E+05	1.07E+05	1.30E+05	1.01E+05	9.50E+04	1.25E+05	1.25E+05	1.18E+05	4.11E+04	1.41E+05	1.04E+05	6.75E+04	1.23E+05	8.95E+04
IDP	2.04E+05	1.58E+05	1.41E+05	1.44E+05	9.93E+04	1.30E+05	9.63E+04	1.39E+05	1.87E+05	9.00E+04	8.89E+04	1.07E+05	2.34E+04	4.52E+04	1.97E+04	5.37E+04	9.66E+04	8.03E+04	4.02E+04	5.23E+04	3.95E+04	6.37E+04	7.17E+04	8.21E+04	3.78E+04	2.88E+04	7.07E+04	5.95E+04	1.26E+05	4.46E+04	1.22E+05	1.38E+05	1.43E+05	6.41E+04	4.14E+04	8.39E+04	1.07E+05	1.12E+05	6.34E+04	8.24E+04	1.15E+05	2.51E+05	1.80E+05	2.78E+04	7.57E+04	1.03E+05	8.67E+04	3.50E+04	6.41E+04	7.69E+04	4.93E+04	6.21E+04	1.01E+05	8.50E+04	4.54E+04	4.37E+04	5.80E+04	7.30E+04
Allantoate	2.97E+05	4.15E+05	3.38E+05	4.60E+05	2.58E+05	3.33E+05	3.63E+05	3.36E+05	4.20E+05	3.51E+05	4.31E+05	4.35E+05	1.28E+05	3.91E+05	2.60E+05	3.63E+05	2.56E+05	3.08E+05	4.37E+05	3.17E+05	2.03E+05	3.64E+05	3.77E+05	2.54E+05	1.95E+05	1.98E+05	3.43E+05	6.89E+05	4.55E+05	3.39E+05	7.57E+05	4.61E+05	5.29E+05	3.98E+05	1.86E+05	5.67E+05	3.95E+05	4.70E+05	5.26E+05	4.14E+05	4.19E+05	8.01E+05	5.44E+05	4.27E+05	2.55E+05	4.08E+05	5.51E+05	4.87E+05	3.71E+05	4.77E+05	2.36E+05	3.13E+05	2.35E+05	3.59E+05	2.17E+05	2.56E+05	5.47E+05	2.80E+05
5-Hydroxyisourate	2.61E+05	1.88E+05	1.84E+05	1.62E+05	2.01E+05	2.09E+05	1.38E+05	9.92E+04	1.55E+05	2.74E+05	1.05E+05	1.50E+05	6.24E+04	1.88E+05	1.48E+05	1.19E+05	1.49E+05	1.47E+05	3.17E+05	1.50E+05	6.20E+04	1.25E+05	1.31E+05	2.78E+05	1.39E+05	9.71E+04	7.65E+04	9.70E+04	2.45E+05	1.32E+05	1.29E+05	1.09E+05	1.10E+05	1.77E+05	2.53E+05	1.40E+05	1.72E+05	9.44E+04	2.37E+05	1.03E+05	8.23E+04	1.80E+05	1.52E+05	1.91E+05	1.79E+05	1.44E+05	1.58E+05	1.50E+05	1.62E+05	8.78E+04	1.10E+05	9.20E+04	8.23E+04	2.44E+05	1.49E+05	1.72E+05	2.07E+05	2.43E+05
2',3'-Cyclic CMP	1.41E+05	1.69E+05	1.74E+05	1.65E+05	1.28E+05	1.55E+05	1.64E+05	1.95E+05	1.45E+05	2.17E+05	1.45E+05	2.07E+05	6.09E+04	1.43E+05	1.26E+05	1.84E+05	2.27E+05	1.78E+05	1.96E+05	1.62E+05	1.41E+05	1.58E+05	1.70E+05	1.74E+05	1.96E+05	1.61E+05	1.74E+05	1.91E+05	1.84E+05	1.08E+05	1.64E+05	1.37E+05	1.36E+05	2.25E+05	9.37E+04	1.31E+05	2.11E+05	1.80E+05	1.71E+05	1.97E+05	1.56E+05	1.01E+05	1.69E+05	1.03E+05	1.88E+05	2.26E+05	1.43E+05	1.49E+05	1.55E+05	2.15E+05	1.29E+05	1.51E+05	1.33E+05	1.64E+05	2.06E+05	9.81E+04	1.03E+05	5.49E+04
5-6-Dihydrothymine	3.69E+05	3.92E+05	3.55E+05	2.97E+05	5.17E+05	3.62E+05	2.90E+05	3.55E+05	3.52E+05	3.64E+05	3.22E+05	2.87E+05	9.92E+04	3.24E+05	2.85E+05	2.33E+05	2.17E+05	2.36E+05	1.73E+05	2.51E+05	1.26E+05	2.48E+05	2.67E+05	4.73E+05	2.57E+05	2.26E+05	1.79E+05	2.29E+05	3.90E+05	2.46E+05	3.11E+05	2.94E+05	2.60E+05	2.90E+05	1.23E+05	3.36E+05	2.22E+05	3.38E+05	2.80E+05	2.10E+05	2.85E+05	4.97E+05	3.94E+05	3.56E+05	3.08E+05	3.37E+05	3.42E+05	2.55E+05	3.13E+05	2.49E+05	1.50E+05	3.17E+05	2.19E+05	4.08E+05	3.26E+05	1.81E+05	2.56E+05	1.35E+05
Pyridoxal	2.43E+05	2.28E+05	1.37E+05	1.02E+05	2.05E+05	1.35E+05	1.34E+05	1.20E+05	1.15E+05	1.43E+05	1.26E+05	2.32E+04	3.11E+04	7.55E+04	4.41E+04	3.32E+04	3.35E+04	4.07E+04	3.82E+04	2.30E+04	5.22E+04	2.73E+04	2.46E+04	9.38E+04	7.80E+04	5.62E+04	4.80E+04	4.93E+04	1.09E+05	1.41E+05	1.46E+05	2.60E+04	5.58E+04	8.94E+04	3.56E+04	8.69E+04	4.66E+04	4.78E+04	1.18E+05	8.68E+04	4.83E+04	5.34E+04	2.40E+04	8.75E+04	6.26E+04	4.93E+04	2.29E+04	4.55E+04	3.79E+04	2.09E+04	5.31E+04	1.90E+04	6.25E+04	6.42E+04	5.11E+04	4.89E+04	3.59E+04	1.22E+04
Pyridoxamine 5'-phosphate	3.66E+05	4.62E+05	6.09E+05	3.45E+05	6.76E+05	3.14E+05	2.78E+05	2.69E+05	2.75E+05	5.75E+05	6.00E+05	4.79E+05	4.02E+05	4.18E+05	5.42E+05	3.50E+05	3.19E+05	3.40E+05	4.13E+05	5.01E+05	5.16E+05	5.97E+05	5.19E+05	3.40E+05	4.59E+05	5.54E+05	4.37E+05	3.09E+05	4.44E+05	7.10E+05	6.28E+05	3.77E+05	3.70E+05	3.28E+05	3.82E+05	5.28E+05	2.95E+05	2.52E+05	3.46E+05	3.63E+05	4.88E+05	4.91E+05	5.26E+05	5.37E+05	6.26E+05	3.71E+05	4.19E+05	4.55E+05	5.56E+05	4.28E+05	6.88E+05	5.35E+05	3.74E+05	3.88E+05	4.71E+05	5.98E+05	4.21E+05	4.07E+05
Nicotinamide	1.52E+06	2.42E+06	2.40E+06	2.25E+06	2.22E+06	2.57E+06	2.33E+06	2.91E+06	3.08E+06	1.44E+06	2.70E+06	2.55E+06	1.29E+06	2.52E+06	2.16E+06	2.66E+06	2.93E+06	3.74E+06	1.53E+06	2.14E+06	1.80E+06	2.67E+06	2.83E+06	1.98E+06	2.88E+06	2.77E+06	2.48E+06	1.89E+06	1.70E+06	2.23E+06	3.13E+06	2.43E+06	3.06E+06	1.87E+06	2.16E+06	3.17E+06	2.86E+06	3.51E+06	1.96E+06	2.47E+06	3.28E+06	3.56E+06	4.08E+06	1.48E+06	2.95E+06	2.41E+06	3.73E+06	2.28E+06	2.09E+06	2.21E+06	2.63E+06	2.82E+06	2.73E+06	2.50E+06	2.82E+06	2.89E+06	3.58E+06	3.62E+06
Phosphate	8.05E+06	1.24E+07	1.16E+07	1.55E+07	5.25E+06	1.05E+07	1.17E+07	1.19E+07	1.47E+07	1.36E+07	1.41E+07	1.95E+07	1.03E+07	1.08E+07	6.79E+06	1.55E+07	1.33E+07	1.76E+07	1.33E+07	1.50E+07	1.35E+07	9.99E+06	1.07E+07	1.64E+07	1.24E+07	7.24E+06	1.36E+07	2.12E+07	1.13E+07	6.57E+06	1.33E+07	1.82E+07	1.79E+07	1.13E+07	1.16E+07	1.70E+07	1.48E+07	1.67E+07	1.47E+07	2.05E+07	1.37E+07	1.41E+07	1.89E+07	8.15E+06	1.11E+07	1.68E+07	1.35E+07	1.15E+07	9.71E+06	1.14E+07	9.64E+06	8.66E+06	1.50E+07	1.25E+07	8.99E+06	1.06E+07	1.44E+07	1.91E+07
Glutathione	4.45E+04	4.22E+04	4.05E+04	5.12E+04	4.75E+04	4.30E+04	5.85E+04	5.55E+04	6.06E+04	5.87E+04	4.36E+04	1.13E+05	1.43E+04	6.09E+04	2.95E+04	7.62E+04	8.91E+04	1.04E+05	8.79E+04	6.96E+04	2.74E+04	9.85E+04	5.78E+04	1.00E+05	6.13E+04	4.28E+04	6.64E+04	5.52E+04	5.60E+04	2.70E+04	6.58E+04	7.99E+04	5.16E+04	5.18E+04	2.89E+04	1.10E+05	7.77E+04	9.07E+04	5.44E+04	6.00E+04	6.09E+04	1.53E+05	1.03E+05	7.58E+04	7.67E+04	1.12E+05	9.43E+04	7.40E+04	1.08E+05	6.70E+04	4.34E+04	7.14E+04	6.57E+04	9.87E+04	5.54E+04	8.86E+04	1.24E+05	7.46E+04
Glutathione disulfide	7.42E+04	4.83E+04	5.35E+04	2.62E+04	9.90E+04	1.26E+05	8.62E+04	8.19E+04	1.35E+05	6.35E+04	3.83E+04	2.15E+05	4.06E+04	1.19E+05	4.71E+04	8.94E+04	7.63E+04	1.37E+05	9.79E+04	4.41E+04	2.81E+04	1.50E+05	6.67E+04	1.27E+05	9.49E+04	6.01E+04	1.03E+05	6.31E+04	1.23E+05	4.88E+04	2.78E+05	9.36E+04	7.61E+04	1.58E+05	7.49E+04	7.54E+04	1.58E+05	1.25E+05	8.24E+04	7.04E+04	5.39E+04	3.74E+05	2.40E+05	1.08E+05	1.46E+05	1.22E+05	3.71E+05	9.31E+04	1.55E+05	6.81E+04	1.13E+05	8.97E+04	8.66E+04	1.64E+05	1.16E+05	1.64E+05	2.44E+05	1.13E+05
5-Oxoproline	8.44E+06	6.75E+06	6.80E+06	7.34E+06	6.99E+06	7.37E+06	5.94E+06	5.78E+06	8.46E+06	1.08E+07	6.18E+06	7.47E+06	3.18E+06	7.52E+06	5.87E+06	7.44E+06	4.99E+06	5.35E+06	1.08E+07	7.66E+06	4.89E+06	6.75E+06	7.00E+06	8.44E+06	6.75E+06	5.76E+06	6.31E+06	5.09E+06	8.76E+06	5.71E+06	6.33E+06	7.16E+06	6.91E+06	6.98E+06	5.49E+06	5.52E+06	5.93E+06	5.03E+06	8.88E+06	5.06E+06	5.63E+06	6.96E+06	7.77E+06	6.22E+06	6.48E+06	6.88E+06	6.50E+06	7.23E+06	6.09E+06	6.45E+06	5.42E+06	5.92E+06	6.24E+06	6.60E+06	5.38E+06	6.22E+06	7.54E+06	9.38E+06
S-Glutathionyl-L-cysteine	1.85E+05	1.47E+05	1.64E+05	1.44E+05	1.56E+05	2.46E+05	1.97E+05	2.52E+05	3.19E+05	1.58E+05	1.82E+05	4.36E+05	5.16E+04	2.78E+05	1.60E+05	2.54E+05	2.49E+05	2.98E+05	2.57E+05	1.99E+05	1.05E+05	2.55E+05	2.01E+05	3.87E+05	2.80E+05	1.94E+05	2.17E+05	1.74E+05	2.69E+05	1.50E+05	4.09E+05	2.48E+05	2.25E+05	3.93E+05	1.84E+05	1.27E+05	3.51E+05	3.14E+05	2.79E+05	2.79E+05	2.66E+05	4.64E+05	3.86E+05	1.52E+05	3.37E+05	4.21E+05	4.22E+05	2.23E+05	3.40E+05	2.69E+05	2.51E+05	2.93E+05	2.27E+05	3.99E+05	2.68E+05	2.36E+05	3.26E+05	3.10E+05
Dimethylglycine	1.52E+06	1.71E+06	1.50E+06	1.40E+06	1.21E+06	1.03E+06	1.11E+06	1.34E+06	1.17E+06	1.50E+06	1.73E+06	1.64E+06	4.57E+05	9.41E+05	9.01E+05	8.18E+05	1.11E+06	1.28E+06	1.31E+06	1.63E+06	7.96E+05	1.30E+06	1.37E+06	1.54E+06	1.59E+06	1.16E+06	1.20E+06	2.27E+06	1.71E+06	1.43E+06	1.84E+06	1.56E+06	1.75E+06	9.16E+05	1.66E+06	1.85E+06	1.49E+06	1.65E+06	1.57E+06	9.26E+05	1.59E+06	2.54E+06	2.01E+06	1.54E+06	1.05E+06	1.45E+06	1.51E+06	2.24E+06	1.76E+06	1.86E+06	1.01E+06	1.54E+06	1.22E+06	1.45E+06	2.88E+06	1.66E+06	1.54E+06	3.30E+06
Phosphoserine	1.35E+05	1.57E+05	2.20E+05	1.84E+05	1.33E+05	1.49E+05	1.78E+05	1.71E+05	1.86E+05	1.76E+05	1.59E+05	1.53E+05	4.52E+04	1.62E+05	1.60E+05	1.72E+05	1.60E+05	1.63E+05	4.84E+04	1.20E+05	9.72E+04	1.27E+05	9.60E+04	1.91E+05	1.33E+05	1.34E+05	1.64E+05	2.01E+05	1.85E+05	1.24E+05	1.68E+05	1.53E+05	1.47E+05	1.56E+05	1.42E+05	1.71E+05	1.86E+05	1.69E+05	1.09E+05	1.63E+05	1.66E+05	2.08E+05	1.50E+05	1.45E+05	1.66E+05	9.47E+04	1.59E+05	1.40E+05	1.43E+05	1.27E+05	9.13E+04	1.53E+05	1.53E+05	1.95E+05	1.87E+05	1.51E+05	1.40E+05	1.23E+05
Ornithine	8.21E+05	1.14E+06	1.03E+06	1.67E+06	5.56E+05	9.56E+05	9.34E+05	9.97E+05	1.14E+06	8.92E+05	1.10E+06	1.59E+06	2.37E+05	1.28E+06	4.99E+05	9.97E+05	7.44E+05	1.00E+06	1.31E+06	1.14E+06	5.78E+05	9.40E+05	9.11E+05	1.02E+06	6.74E+05	4.69E+05	9.17E+05	2.31E+06	1.73E+06	6.19E+05	2.15E+06	1.73E+06	1.63E+06	1.19E+06	5.29E+05	1.48E+06	1.43E+06	1.57E+06	1.46E+06	1.18E+06	1.23E+06	2.57E+06	1.52E+06	8.80E+05	8.68E+05	1.43E+06	1.46E+06	1.18E+06	1.29E+06	1.29E+06	4.90E+05	6.95E+05	8.94E+05	1.29E+06	5.46E+05	6.45E+05	1.43E+06	9.36E+05
L-Citrulline	1.69E+06	1.85E+06	8.84E+05	1.11E+06	8.88E+05	1.29E+06	1.04E+06	1.00E+06	1.11E+06	1.45E+06	1.44E+06	1.38E+06	5.05E+05	1.01E+06	9.13E+05	1.15E+06	8.23E+05	1.09E+06	1.11E+06	1.26E+06	7.28E+05	1.15E+06	1.09E+06	1.27E+06	1.09E+06	7.51E+05	9.79E+05	1.31E+06	1.44E+06	1.08E+06	1.52E+06	1.85E+06	1.55E+06	1.41E+06	5.69E+05	1.36E+06	1.19E+06	1.04E+06	1.30E+06	1.21E+06	1.55E+06	2.89E+06	1.56E+06	1.06E+06	1.29E+06	1.59E+06	1.26E+06	1.48E+06	1.24E+06	1.69E+06	8.37E+05	1.23E+06	1.08E+06	1.30E+06	1.09E+06	5.97E+05	8.73E+05	5.31E+05
Spermidine	3.10E+04	1.43E+04	4.12E+04	3.48E+04	2.12E+04	4.43E+04	1.03E+05	7.26E+04	1.20E+05	2.82E+04	9.98E+03	1.29E+05	1.03E+05	3.25E+04	1.73E+04	6.36E+04	1.63E+05	8.27E+04	8.51E+04	2.89E+04	1.15E+05	7.18E+04	6.07E+04	6.61E+04	1.63E+05	4.45E+04	4.95E+05	3.09E+05	4.31E+04	3.15E+04	5.74E+04	5.71E+04	3.12E+04	1.82E+05	6.36E+04	1.07E+05	8.08E+04	7.48E+04	3.31E+04	7.04E+04	5.68E+04	5.86E+04	1.05E+05	7.65E+04	8.08E+04	6.54E+04	1.28E+05	8.73E+04	5.01E+04	6.50E+04	5.38E+04	7.72E+04	1.58E+05	1.12E+05	1.24E+05	5.01E+04	6.83E+04	5.43E+04
5-Guanidino-2-oxopentanoate	9.99E+04	1.03E+05	7.25E+04	4.56E+04	4.75E+04	4.58E+04	6.22E+04	4.37E+04	2.96E+04	4.85E+04	4.95E+04	7.09E+04	0.00E+00	2.51E+04	2.30E+04	5.56E+04	3.21E+04	2.50E+04	5.62E+04	9.17E+04	9.78E+03	5.18E+04	3.36E+04	1.88E+04	4.20E+03	2.02E+04	1.65E+04	0.00E+00	9.14E+04	3.17E+04	5.37E+04	7.50E+04	5.57E+04	2.82E+04	6.60E+03	6.43E+04	1.91E+04	5.39E+04	2.48E+04	2.91E+04	3.74E+04	6.89E+04	1.21E+05	3.25E+04	4.18E+04	0.00E+00	2.56E+04	5.14E+04	4.30E+04	7.17E+04	1.86E+04	2.97E+04	2.03E+04	4.00E+04	1.59E+04	2.21E+04	5.18E+04	1.75E+04
Creatine	7.54E+07	9.25E+07	6.79E+07	5.34E+07	8.67E+07	6.08E+07	5.16E+07	5.42E+07	4.40E+07	7.61E+07	1.01E+08	7.12E+07	3.40E+07	8.96E+07	6.27E+07	5.37E+07	5.27E+07	6.79E+07	8.83E+07	7.86E+07	4.95E+07	7.01E+07	5.52E+07	5.66E+07	7.28E+07	5.60E+07	7.85E+07	8.17E+07	7.38E+07	7.07E+07	7.13E+07	5.28E+07	6.49E+07	4.39E+07	1.20E+08	8.60E+07	6.70E+07	4.55E+07	8.20E+07	5.88E+07	4.36E+07	8.51E+07	6.69E+07	8.40E+07	6.90E+07	8.53E+07	7.40E+07	7.82E+07	8.13E+07	5.20E+07	7.06E+07	5.17E+07	4.17E+07	7.97E+07	7.08E+07	1.03E+08	9.27E+07	1.31E+08
Creatinine	2.75E+06	3.87E+06	3.34E+06	3.26E+06	3.24E+06	2.09E+06	2.61E+06	2.62E+06	2.78E+06	3.20E+06	3.57E+06	2.92E+06	1.00E+06	2.88E+06	2.25E+06	2.44E+06	2.89E+06	3.15E+06	1.90E+06	2.86E+06	1.79E+06	2.81E+06	2.50E+06	4.13E+06	2.11E+06	2.21E+06	2.23E+06	1.92E+06	3.99E+06	2.50E+06	3.22E+06	2.78E+06	2.99E+06	1.95E+06	3.70E+06	3.10E+06	2.74E+06	2.54E+06	2.45E+06	2.01E+06	3.11E+06	5.14E+06	4.96E+06	2.55E+06	2.39E+06	3.13E+06	3.12E+06	2.34E+06	3.25E+06	2.62E+06	2.36E+06	2.85E+06	2.14E+06	2.65E+06	2.75E+06	2.45E+06	3.14E+06	3.48E+06
N-Acetylornithine	7.32E+05	6.67E+05	9.95E+05	9.06E+05	9.53E+05	1.02E+06	8.89E+05	8.98E+05	9.89E+05	6.28E+05	7.60E+05	7.63E+05	2.89E+05	8.86E+05	7.89E+05	7.48E+05	6.85E+05	7.03E+05	5.97E+05	6.90E+05	3.78E+05	5.74E+05	5.59E+05	8.67E+05	6.82E+05	6.69E+05	5.82E+05	4.70E+05	6.25E+05	4.92E+05	5.91E+05	4.04E+05	5.09E+05	7.66E+05	3.54E+05	9.56E+05	8.20E+05	8.17E+05	4.67E+05	5.90E+05	5.48E+05	1.07E+06	8.16E+05	7.35E+05	8.99E+05	9.01E+05	7.80E+05	7.31E+05	4.61E+05	6.82E+05	4.33E+05	6.99E+05	4.41E+05	9.08E+05	7.28E+05	5.04E+05	6.18E+05	4.30E+05
Guanidinoacetate	4.21E+05	2.81E+05	2.02E+05	1.72E+05	2.00E+05	2.14E+05	1.32E+05	1.57E+05	1.02E+05	2.09E+05	1.87E+05	1.17E+05	1.64E+04	1.28E+05	1.26E+05	1.48E+05	1.10E+05	1.53E+05	1.08E+05	1.31E+05	9.76E+04	5.09E+04	8.24E+04	3.59E+05	1.49E+05	1.08E+05	6.33E+04	1.34E+05	2.67E+05	2.12E+05	2.11E+05	1.84E+05	1.77E+05	9.94E+04	1.33E+05	2.20E+05	1.45E+05	6.94E+04	1.78E+05	1.13E+05	1.19E+05	1.23E+05	1.63E+05	2.99E+05	1.56E+05	8.46E+04	1.16E+05	1.78E+05	1.53E+05	1.33E+05	1.33E+05	6.14E+04	8.87E+04	1.72E+05	1.54E+05	1.36E+05	1.45E+05	1.51E+05
trans-4-Hydroxy-L-proline	4.38E+05	6.32E+05	6.36E+05	9.82E+05	2.95E+05	3.13E+05	4.85E+05	4.81E+05	6.07E+05	7.82E+05	5.81E+05	6.71E+05	3.88E+05	3.09E+05	5.53E+05	5.82E+05	5.53E+05	7.44E+05	6.19E+05	7.78E+05	4.96E+05	3.90E+05	7.25E+05	2.66E+05	4.19E+05	2.47E+05	2.46E+05	2.25E+05	9.85E+05	4.23E+05	8.27E+05	8.90E+05	9.55E+05	2.97E+05	1.07E+05	2.13E+05	2.37E+05	6.31E+05	5.19E+05	4.92E+05	7.81E+05	1.47E+06	1.09E+06	2.95E+05	4.50E+05	6.69E+05	5.99E+05	4.17E+05	7.76E+05	8.43E+05	3.77E+05	8.13E+05	7.90E+05	3.87E+05	3.62E+05	3.20E+05	2.83E+05	5.31E+04
Pantothenol	5.63E+05	4.91E+05	3.22E+05	2.54E+05	5.48E+05	4.59E+05	3.49E+05	3.22E+05	2.95E+05	3.07E+05	2.62E+05	3.97E+05	1.02E+05	5.38E+05	2.35E+05	2.32E+05	2.55E+05	2.03E+05	4.02E+05	3.34E+05	2.02E+05	2.27E+05	1.82E+05	4.86E+05	4.04E+05	2.14E+05	2.04E+05	2.88E+05	3.15E+05	2.13E+05	2.48E+05	1.76E+05	2.00E+05	3.15E+05	1.07E+06	4.33E+05	2.99E+05	2.07E+05	3.10E+05	2.11E+05	1.86E+05	2.69E+05	2.20E+05	2.82E+05	3.31E+05	4.32E+05	2.62E+05	1.24E+05	3.75E+05	2.15E+05	2.32E+05	1.38E+05	1.09E+05	2.92E+05	2.48E+05	3.77E+05	2.74E+05	5.58E+05
5-6-Dihydrouracil	1.69E+05	2.49E+05	7.65E+04	9.10E+04	5.32E+04	8.11E+04	4.49E+04	9.90E+04	4.16E+04	3.49E+04	1.24E+05	6.21E+04	5.02E+04	2.87E+04	2.35E+04	3.63E+04	5.41E+04	6.33E+04	9.33E+04	3.85E+04	5.70E+04	4.40E+04	5.96E+04	7.19E+04	5.96E+04	2.87E+04	5.62E+04	1.40E+05	5.40E+04	4.44E+04	7.73E+04	9.66E+04	1.01E+05	5.24E+04	2.70E+05	9.99E+04	5.98E+04	7.10E+04	5.95E+04	1.21E+05	8.77E+04	1.19E+05	9.49E+04	1.01E+05	4.55E+04	1.15E+05	3.80E+04	3.17E+04	9.68E+04	8.80E+04	1.49E+05	6.67E+04	5.17E+04	4.46E+04	4.96E+04	1.05E+05	1.10E+05	3.31E+05
Taurine	2.32E+06	2.92E+06	2.02E+06	1.49E+06	2.06E+06	3.25E+06	2.45E+06	2.89E+06	2.35E+06	1.21E+06	1.35E+06	1.60E+06	8.15E+05	1.89E+06	1.00E+06	2.03E+06	1.56E+06	2.23E+06	2.48E+06	9.75E+05	9.80E+05	1.21E+06	1.01E+06	1.27E+06	1.28E+06	9.59E+05	1.78E+06	2.05E+06	1.50E+06	8.73E+05	7.03E+05	1.25E+06	1.49E+06	2.66E+06	3.16E+06	2.08E+06	2.23E+06	2.46E+06	1.44E+06	2.68E+06	9.07E+05	1.39E+06	1.04E+06	1.87E+06	2.25E+06	1.97E+06	1.85E+06	1.70E+06	1.22E+06	1.10E+06	1.21E+06	8.90E+05	1.05E+06	2.22E+06	1.58E+06	1.26E+06	2.88E+06	2.41E+06
L-Methionine S-oxide	5.19E+05	6.70E+05	7.75E+05	5.37E+05	5.40E+05	5.23E+05	5.85E+05	3.87E+05	4.95E+05	4.39E+05	7.27E+05	4.53E+05	4.49E+05	4.08E+05	5.52E+05	4.79E+05	4.67E+05	5.36E+05	2.97E+05	4.59E+05	4.70E+05	4.46E+05	4.37E+05	4.27E+05	4.13E+05	3.69E+05	4.48E+05	4.28E+05	6.02E+05	7.43E+05	5.76E+05	4.74E+05	5.30E+05	2.84E+05	2.59E+05	4.11E+05	3.92E+05	4.92E+05	4.05E+05	3.16E+05	4.59E+05	9.99E+05	8.84E+05	5.23E+05	4.35E+05	4.56E+05	3.88E+05	5.58E+05	5.70E+05	4.71E+05	3.80E+05	4.87E+05	5.16E+05	4.63E+05	3.91E+05	4.45E+05	3.96E+05	2.78E+05
Indole	6.59E+05	7.32E+05	5.87E+05	6.11E+05	3.12E+05	5.38E+05	3.74E+05	4.08E+05	4.44E+05	7.11E+05	5.16E+05	6.08E+05	3.58E+05	6.98E+05	3.01E+05	6.78E+05	5.94E+05	4.80E+05	6.57E+05	6.79E+05	5.11E+05	4.22E+05	3.97E+05	5.81E+05	5.13E+05	2.93E+05	4.57E+05	5.61E+05	1.02E+06	3.34E+05	6.22E+05	6.64E+05	6.46E+05	3.32E+05	6.40E+05	6.18E+05	6.25E+05	4.89E+05	7.14E+05	7.24E+05	5.77E+05	8.50E+05	5.66E+05	2.61E+05	5.66E+05	6.11E+05	3.54E+05	2.76E+05	8.75E+05	6.90E+05	4.54E+05	2.91E+05	4.80E+05	6.49E+05	3.13E+05	3.34E+05	3.92E+05	3.83E+05
Indole-3-acetaldehyde	8.91E+05	1.09E+06	3.33E+05	4.43E+05	2.75E+05	3.47E+05	2.31E+05	2.37E+05	2.70E+05	8.84E+05	7.96E+05	5.30E+05	5.16E+05	1.68E+05	3.52E+05	1.88E+05	2.24E+05	1.09E+05	3.03E+05	3.80E+05	8.68E+04	2.80E+05	5.87E+05	6.27E+04	1.25E+05	1.13E+05	2.61E+05	3.77E+04	6.05E+05	5.15E+05	3.45E+05	3.89E+05	3.60E+05	2.32E+05	1.74E+05	4.32E+05	1.77E+05	6.66E+04	2.77E+05	7.02E+05	5.69E+05	1.72E+05	2.53E+05	2.67E+05	1.27E+05	3.16E+05	1.48E+05	2.13E+05	1.99E+05	1.53E+05	2.06E+05	2.06E+05	8.58E+04	1.47E+05	9.77E+04	6.54E+04	5.05E+04	5.23E+04
Indole-3-acetate	1.53E+05	3.67E+05	2.90E+05	1.96E+05	1.51E+05	1.93E+05	2.67E+05	3.78E+05	4.13E+05	1.39E+05	3.06E+05	5.26E+05	9.26E+04	2.52E+05	1.08E+05	3.18E+05	3.44E+05	3.28E+05	2.00E+05	2.18E+05	1.92E+05	2.21E+05	2.74E+05	1.58E+05	1.53E+05	1.59E+05	1.34E+05	2.75E+05	1.73E+05	1.30E+05	2.43E+05	3.67E+05	3.19E+05	2.87E+05	1.27E+05	4.70E+05	2.75E+05	4.50E+05	1.54E+05	1.82E+05	2.99E+05	3.93E+05	2.17E+05	1.42E+05	2.97E+05	7.21E+05	3.50E+05	1.52E+05	1.55E+05	2.54E+05	8.73E+04	1.33E+05	1.48E+05	2.43E+05	2.13E+05	8.25E+04	1.46E+05	1.83E+05
Indoxyl	2.87E+05	7.25E+05	4.78E+05	5.68E+05	4.15E+05	9.18E+05	7.32E+05	1.41E+06	1.13E+06	3.90E+05	3.83E+05	1.70E+06	3.56E+05	5.43E+05	2.42E+05	6.82E+05	7.67E+05	1.09E+06	3.20E+05	1.26E+06	7.99E+05	6.53E+05	8.81E+05	2.54E+05	4.68E+05	5.06E+05	4.71E+05	1.07E+06	1.73E+05	8.98E+05	1.75E+06	1.67E+06	1.01E+06	4.18E+05	8.28E+05	1.53E+06	8.20E+05	1.38E+06	1.28E+06	9.49E+05	2.33E+06	1.46E+06	1.40E+06	4.71E+05	4.69E+05	1.07E+06	7.40E+05	7.10E+05	9.89E+05	1.15E+06	5.89E+05	9.03E+05	1.20E+06	6.89E+05	5.54E+05	3.22E+05	6.60E+05	7.29E+05
kynurenine	8.66E+04	8.34E+04	1.03E+05	8.51E+04	3.61E+04	1.64E+04	2.84E+04	5.87E+04	5.63E+04	1.08E+05	9.13E+04	4.51E+04	3.13E+04	3.16E+04	4.72E+04	3.01E+04	2.66E+04	7.46E+04	1.04E+05	1.40E+05	3.96E+04	9.49E+04	1.34E+05	5.87E+04	2.77E+04	8.96E+04	8.39E+04	9.22E+04	8.01E+04	7.13E+04	8.78E+04	1.55E+05	1.95E+05	3.52E+04	1.72E+04	1.05E+05	8.27E+04	7.97E+04	7.36E+04	6.62E+04	1.09E+05	2.46E+05	1.71E+05	1.05E+05	7.53E+04	7.03E+04	1.26E+05	9.45E+04	1.59E+05	1.24E+05	1.42E+05	2.10E+05	2.13E+05	5.93E+04	7.75E+04	1.15E+05	1.22E+05	6.25E+04
Anthranilate	3.78E+06	4.98E+06	5.19E+06	4.73E+06	2.93E+06	4.51E+06	4.87E+06	3.66E+06	2.89E+06	3.85E+06	4.22E+06	2.88E+06	1.32E+06	4.04E+06	3.25E+06	4.26E+06	3.00E+06	3.45E+06	1.65E+06	2.80E+06	2.52E+06	2.93E+06	2.06E+06	2.23E+06	1.54E+06	1.52E+06	1.99E+06	8.07E+05	4.74E+06	2.55E+06	4.26E+06	3.82E+06	2.99E+06	2.47E+06	1.24E+05	1.30E+06	2.28E+06	3.70E+06	3.26E+06	2.76E+06	2.91E+06	6.86E+06	6.44E+06	1.03E+06	3.85E+06	2.72E+06	3.23E+06	1.05E+06	3.82E+06	2.58E+06	1.09E+06	1.97E+06	2.29E+06	3.83E+06	3.03E+06	6.59E+05	1.25E+06	1.81E+05
Serotonin	2.48E+05	3.17E+05	1.18E+05	1.55E+05	4.13E+04	8.98E+04	5.18E+04	3.99E+04	7.80E+04	2.15E+05	1.71E+05	1.63E+05	9.60E+04	2.88E+04	9.02E+04	6.17E+04	3.68E+04	1.41E+04	8.16E+04	5.23E+04	0.00E+00	3.98E+04	1.94E+05	1.25E+04	3.31E+04	1.85E+04	7.05E+04	1.62E+04	1.81E+05	1.40E+05	8.07E+04	8.62E+04	7.40E+04	5.74E+04	6.44E+04	1.25E+05	1.92E+04	0.00E+00	6.06E+04	1.90E+05	1.77E+05	5.52E+04	2.86E+04	8.25E+04	5.43E+04	8.82E+04	1.47E+04	6.24E+03	6.13E+04	0.00E+00	4.34E+04	5.05E+04	1.65E+04	1.72E+04	0.00E+00	0.00E+00	0.00E+00	1.48E+04
Ectoine	5.67E+05	8.05E+05	9.46E+05	8.09E+05	5.63E+05	6.59E+05	7.94E+05	4.00E+05	3.00E+05	7.14E+05	5.48E+05	4.21E+05	2.65E+05	5.79E+05	6.08E+05	3.54E+05	4.10E+05	6.45E+05	2.30E+05	5.41E+05	5.21E+05	3.92E+05	2.58E+05	3.81E+05	1.62E+05	1.92E+05	2.22E+05	3.89E+04	7.81E+05	5.61E+05	5.93E+05	5.79E+05	4.26E+05	2.91E+05	2.36E+04	3.91E+05	3.33E+05	6.68E+05	5.07E+05	3.56E+05	4.50E+05	1.37E+06	1.36E+06	3.79E+05	4.27E+05	3.18E+05	3.95E+05	2.48E+05	7.90E+05	3.87E+05	2.87E+05	4.85E+05	4.70E+05	4.24E+05	3.05E+05	2.03E+05	3.17E+05	4.00E+04
N-Methylethanolamine phosphate	9.06E+04	1.35E+05	9.92E+04	8.84E+04	8.08E+04	7.69E+04	3.55E+04	5.28E+04	2.80E+04	9.07E+04	1.05E+05	7.31E+04	1.50E+04	7.86E+04	3.16E+04	2.21E+04	5.81E+04	8.26E+04	9.71E+04	2.72E+04	2.14E+04	5.52E+04	6.98E+04	6.23E+04	4.15E+04	4.25E+04	1.48E+04	5.11E+04	6.80E+04	5.85E+04	1.23E+05	8.15E+04	9.68E+04	3.21E+04	2.78E+04	1.93E+05	4.06E+04	2.91E+04	8.79E+04	5.13E+04	5.08E+04	1.62E+05	1.11E+05	2.17E+05	8.59E+04	4.71E+04	9.02E+04	1.32E+05	7.41E+04	1.11E+05	2.86E+04	9.62E+04	2.93E+04	5.24E+04	4.40E+04	2.26E+04	1.68E+04	1.81E+04
Sphingosine	3.92E+04	6.24E+04	1.91E+04	3.68E+04	8.55E+03	6.00E+04	5.02E+04	4.63E+04	5.85E+04	1.91E+04	2.30E+04	5.02E+04	2.01E+04	4.26E+04	5.96E+03	2.59E+04	3.49E+04	2.86E+04	2.02E+04	3.64E+04	2.28E+04	1.56E+04	1.50E+04	1.60E+04	2.10E+04	1.07E+04	3.08E+04	2.19E+04	2.50E+04	6.03E+03	2.25E+04	2.70E+04	5.66E+04	9.76E+03	2.79E+04	3.90E+04	2.39E+04	2.44E+04	1.34E+04	2.58E+04	2.52E+04	2.03E+04	1.84E+04	5.09E+03	1.50E+04	2.96E+04	1.42E+04	1.17E+04	2.83E+04	7.98E+03	1.06E+04	1.29E+04	1.91E+04	2.33E+04	6.35E+03	9.99E+03	1.37E+04	2.70E+04
Sphingosine 1-phosphate	1.30E+05	1.04E+05	9.03E+04	1.06E+05	4.60E+04	9.92E+04	8.70E+04	8.44E+04	8.16E+04	6.92E+04	8.65E+04	7.96E+04	7.43E+04	7.64E+04	7.28E+04	9.28E+04	7.61E+04	8.63E+04	1.13E+05	8.92E+04	1.19E+05	8.67E+04	7.06E+04	8.61E+04	7.66E+04	7.64E+04	4.18E+04	8.70E+04	9.81E+04	4.73E+04	1.20E+05	1.09E+05	6.94E+04	7.64E+04	7.67E+04	7.31E+04	9.26E+04	9.38E+04	1.06E+05	1.04E+05	8.69E+04	9.00E+04	1.01E+05	3.15E+04	1.28E+05	9.95E+04	8.30E+04	5.09E+04	1.06E+05	1.05E+05	7.13E+04	7.03E+04	1.22E+05	1.15E+05	8.32E+04	6.67E+04	1.10E+05	8.94E+04
Acetylcholine	2.45E+06	2.11E+06	2.15E+06	1.46E+06	1.18E+06	1.29E+06	7.66E+05	5.61E+05	8.67E+05	1.43E+06	1.59E+06	1.53E+06	5.57E+05	8.55E+05	6.52E+05	7.97E+05	6.40E+05	7.05E+05	1.32E+06	1.37E+06	8.31E+05	1.09E+06	1.13E+06	8.62E+05	7.73E+05	6.53E+05	7.09E+05	9.62E+05	1.24E+06	1.22E+06	1.23E+06	1.23E+06	1.28E+06	6.66E+05	4.17E+05	1.63E+06	6.76E+05	8.72E+05	1.16E+06	1.09E+06	1.18E+06	1.54E+06	1.37E+06	1.50E+06	8.49E+05	7.47E+05	9.68E+05	1.07E+06	7.33E+05	9.19E+05	9.66E+05	1.11E+06	7.30E+05	1.02E+06	8.72E+05	5.31E+05	5.81E+05	3.86E+05
L-Carnitine	2.97E+07	2.96E+07	2.65E+07	2.19E+07	2.93E+07	2.90E+07	2.11E+07	2.09E+07	2.23E+07	2.59E+07	2.66E+07	2.87E+07	9.17E+06	3.30E+07	2.36E+07	2.35E+07	1.69E+07	2.29E+07	2.50E+07	2.31E+07	1.77E+07	2.65E+07	2.28E+07	3.07E+07	2.69E+07	2.39E+07	2.48E+07	1.94E+07	2.06E+07	2.24E+07	2.11E+07	1.68E+07	1.71E+07	1.91E+07	9.08E+06	3.29E+07	2.26E+07	1.76E+07	1.92E+07	1.68E+07	2.04E+07	2.27E+07	2.10E+07	3.48E+07	3.15E+07	2.88E+07	2.93E+07	2.94E+07	2.70E+07	2.35E+07	1.97E+07	2.06E+07	1.45E+07	3.45E+07	2.12E+07	1.60E+07	2.87E+07	8.55E+06
acetyl-carnitine (acyl-C2)	5.49E+07	4.77E+07	4.62E+07	3.68E+07	5.03E+07	4.70E+07	3.33E+07	2.70E+07	2.57E+07	3.85E+07	4.95E+07	4.76E+07	1.26E+07	5.28E+07	4.51E+07	3.38E+07	2.67E+07	3.18E+07	4.04E+07	4.11E+07	2.45E+07	3.44E+07	3.37E+07	4.34E+07	3.98E+07	3.96E+07	3.08E+07	3.57E+07	3.36E+07	3.55E+07	3.37E+07	2.67E+07	3.31E+07	3.98E+07	5.77E+07	5.22E+07	3.59E+07	2.73E+07	2.99E+07	2.67E+07	3.51E+07	3.38E+07	3.06E+07	5.45E+07	4.84E+07	4.35E+07	4.02E+07	3.44E+07	3.56E+07	3.49E+07	2.64E+07	3.41E+07	2.21E+07	5.83E+07	4.64E+07	3.29E+07	4.73E+07	5.96E+07
propionyl-carnitine (acyl-C3)	1.16E+06	1.10E+06	7.37E+05	4.51E+05	8.59E+05	8.82E+05	5.44E+05	4.72E+05	5.42E+05	1.04E+06	1.08E+06	7.39E+05	1.90E+05	7.54E+05	7.45E+05	5.00E+05	4.12E+05	4.87E+05	7.11E+05	7.85E+05	4.03E+05	4.33E+05	3.57E+05	6.43E+05	7.20E+05	4.69E+05	3.90E+05	7.46E+05	7.03E+05	1.02E+06	6.67E+05	7.33E+05	5.13E+05	6.94E+05	7.36E+05	1.62E+06	6.39E+05	5.36E+05	8.14E+05	7.60E+05	7.26E+05	9.05E+05	7.32E+05	2.15E+06	7.62E+05	8.67E+05	7.96E+05	1.01E+06	7.71E+05	8.69E+05	3.89E+05	6.40E+05	3.73E+05	9.93E+05	9.01E+05	5.01E+05	5.92E+05	6.04E+05
butanoyl-l-carnitine (acyl-C4)	3.22E+05	2.59E+05	3.16E+05	1.78E+05	3.14E+05	2.43E+05	3.30E+05	1.99E+05	1.32E+05	2.94E+05	3.59E+05	2.29E+05	7.62E+04	2.43E+05	2.29E+05	2.35E+05	1.62E+05	2.57E+05	2.20E+05	1.46E+05	1.14E+05	1.74E+05	1.46E+05	4.28E+05	1.35E+05	1.37E+05	1.50E+05	1.82E+05	4.64E+05	3.00E+05	2.24E+05	1.99E+05	1.64E+05	1.79E+05	4.52E+05	5.07E+05	1.49E+05	1.94E+05	2.73E+05	1.92E+05	1.96E+05	3.10E+05	3.08E+05	6.49E+05	2.49E+05	1.53E+05	2.28E+05	2.56E+05	3.09E+05	1.76E+05	1.33E+05	1.61E+05	1.79E+05	2.71E+05	1.79E+05	2.38E+05	3.02E+05	2.29E+05
acyl-C4-OH (Hydroxybutyrylcarnitine)	1.80E+05	1.21E+05	9.50E+04	9.10E+04	1.02E+05	1.16E+05	1.93E+04	7.99E+04	9.29E+04	1.36E+05	1.46E+05	2.54E+05	2.98E+04	1.04E+05	1.11E+05	5.14E+04	6.06E+04	1.02E+05	1.48E+05	1.24E+05	4.44E+04	1.15E+05	1.53E+05	1.31E+05	9.29E+04	1.18E+05	7.95E+04	2.34E+05	4.03E+04	1.05E+05	1.02E+05	1.11E+05	1.24E+05	1.21E+05	3.81E+05	1.90E+05	9.05E+04	6.50E+04	1.02E+05	7.08E+04	1.15E+05	1.31E+05	1.37E+05	2.78E+05	1.84E+05	1.58E+05	1.32E+05	1.33E+05	1.71E+04	1.01E+05	9.27E+04	6.42E+04	4.74E+04	1.49E+05	1.75E+05	6.76E+04	1.62E+05	4.82E+05
acyl-C5:1 (Tiglylcarnitine)	5.57E+04	8.62E+04	6.95E+04	5.27E+04	4.90E+04	1.59E+04	4.15E+04	2.90E+04	3.13E+04	4.89E+04	4.42E+04	9.93E+04	1.82E+04	1.72E+04	1.67E+04	2.06E+04	2.43E+04	2.31E+04	2.09E+04	2.93E+04	2.33E+04	4.05E+04	3.32E+04	4.08E+04	1.36E+04	3.53E+04	1.31E+04	1.72E+04	4.17E+04	1.89E+04	2.81E+04	5.37E+04	3.29E+04	7.58E+03	2.60E+04	3.00E+04	2.64E+04	3.42E+04	1.72E+04	2.19E+04	4.22E+04	8.70E+04	6.87E+04	8.96E+03	2.82E+04	2.70E+04	2.14E+04	1.76E+04	1.27E+04	3.72E+04	5.75E+03	3.57E+04	4.20E+04	2.23E+04	1.51E+04	7.26E+03	1.51E+04	9.32E+03
acyl-C5-OH (hydroxyisovalerylcarnitine)	1.20E+05	4.76E+04	6.72E+04	3.65E+04	7.55E+04	5.54E+04	2.86E+04	5.08E+04	3.46E+04	7.31E+04	8.92E+04	9.65E+04	1.12E+04	8.61E+04	5.01E+04	3.41E+04	7.29E+04	1.60E+04	7.85E+04	7.04E+04	3.34E+04	7.99E+04	4.82E+04	8.88E+04	9.10E+04	3.12E+04	5.53E+04	5.81E+04	6.91E+04	6.21E+04	2.06E+04	7.37E+04	4.13E+04	5.57E+04	3.43E+04	1.02E+05	3.45E+04	6.10E+04	4.04E+04	3.40E+04	6.68E+04	5.46E+04	4.40E+04	1.14E+05	6.89E+04	1.13E+05	7.83E+04	6.74E+04	1.77E+04	4.32E+04	1.67E+04	5.75E+04	2.17E+04	4.94E+04	4.71E+04	6.12E+04	6.01E+04	3.51E+04
hexanoyl-L-carnitine (acyl-C6)	1.08E+05	5.71E+04	3.29E+04	2.35E+04	2.95E+04	2.46E+04	1.86E+04	1.94E+04	2.28E+04	1.02E+04	2.91E+04	3.56E+04	4.63E+03	3.52E+04	2.66E+04	1.22E+04	1.06E+04	8.82E+03	4.37E+04	2.47E+04	1.48E+04	8.51E+03	1.61E+04	4.77E+04	2.55E+04	1.49E+04	1.30E+04	3.35E+04	2.11E+04	1.48E+04	1.44E+04	1.34E+04	2.01E+04	1.83E+04	8.38E+04	4.35E+04	1.47E+04	1.29E+04	2.91E+04	1.17E+04	1.84E+04	2.60E+04	2.14E+04	5.87E+04	1.99E+04	2.87E+04	2.12E+04	3.19E+04	2.39E+04	1.23E+04	5.92E+03	6.63E+03	2.58E+04	3.72E+04	3.54E+04	2.57E+04	3.14E+04	1.62E+05
L-octanoylcarnitine (acyl-C8)	5.37E+04	3.18E+04	2.42E+04	1.71E+04	1.07E+04	4.30E+04	2.07E+04	1.94E+04	1.89E+04	1.17E+04	2.42E+04	2.76E+04	1.43E+04	1.64E+04	1.33E+04	1.56E+04	9.15E+03	2.47E+04	1.77E+04	2.25E+04	1.08E+04	1.98E+04	1.03E+04	5.50E+04	3.54E+04	2.20E+04	2.18E+04	4.77E+04	1.68E+04	9.18E+03	9.49E+03	1.38E+04	1.04E+04	3.43E+04	6.54E+04	5.34E+04	3.20E+04	9.09E+03	2.79E+04	1.15E+04	1.76E+04	1.91E+04	3.03E+04	2.98E+04	2.87E+04	3.07E+04	3.06E+04	2.84E+04	2.68E+04	2.63E+04	9.07E+03	1.19E+04	6.60E+03	2.29E+04	4.50E+04	1.15E+04	2.59E+04	1.04E+05
O-Decenoyl-L-carnitine (acyl-C10:1)	8.18E+04	3.97E+04	3.52E+04	1.89E+04	1.51E+04	2.51E+04	2.84E+04	3.69E+04	1.57E+04	3.23E+04	1.68E+04	4.37E+04	1.57E+04	1.66E+04	1.13E+04	9.19E+03	1.88E+04	2.54E+04	2.62E+04	1.64E+04	8.93E+03	1.43E+04	2.83E+04	4.74E+04	2.19E+04	1.94E+04	2.39E+04	3.94E+04	8.38E+03	2.67E+04	1.12E+04	2.39E+04	7.15E+03	2.32E+04	6.07E+04	4.93E+04	2.28E+04	3.56E+04	2.91E+04	1.23E+04	2.99E+04	1.68E+04	8.37E+03	5.05E+04	1.87E+04	1.99E+04	3.76E+04	2.85E+04	2.71E+04	2.58E+04	2.43E+04	1.12E+04	8.03E+03	2.69E+04	3.19E+04	3.64E+04	2.93E+04	9.68E+04
O-dodecanoyl-carnitine (acyl-C12)	7.45E+04	7.18E+04	2.38E+04	1.61E+04	2.70E+04	3.62E+04	3.00E+04	2.78E+04	4.16E+04	4.05E+04	2.62E+04	6.73E+04	5.95E+03	3.71E+04	2.50E+04	1.67E+04	3.39E+04	2.19E+04	2.44E+04	3.04E+04	5.71E+03	2.57E+04	3.93E+04	5.36E+04	2.45E+04	1.85E+04	3.36E+04	4.69E+04	3.11E+04	1.14E+04	2.47E+04	2.98E+04	4.64E+04	3.43E+04	1.34E+05	5.51E+04	1.33E+05	2.22E+04	2.74E+04	2.09E+04	3.19E+04	1.84E+04	1.93E+04	5.47E+04	3.59E+04	3.00E+04	3.41E+04	6.70E+04	2.20E+04	2.07E+04	1.81E+04	1.28E+04	1.69E+04	4.18E+04	2.16E+04	3.10E+04	4.17E+04	4.33E+05
O-dodecenoyl-carnitine (acyl-C12:1)	3.05E+04	1.54E+04	5.35E+03	1.48E+04	1.55E+04	1.82E+04	6.22E+03	8.91E+03	7.28E+03	2.50E+04	1.97E+04	3.24E+04	7.04E+03	1.41E+04	1.14E+04	5.40E+03	7.96E+03	1.16E+04	1.98E+04	2.56E+04	1.09E+04	1.20E+04	1.01E+04	4.56E+04	1.13E+04	9.08E+03	8.17E+03	3.65E+04	5.48E+03	7.20E+03	7.00E+03	6.66E+03	1.59E+04	1.23E+04	5.58E+04	2.90E+04	2.07E+04	9.81E+03	2.92E+04	6.21E+03	2.66E+04	8.42E+03	6.77E+03	4.74E+04	8.01E+03	3.72E+04	2.51E+04	1.37E+04	7.59E+03	1.39E+04	1.33E+04	5.89E+03	2.81E+03	2.81E+04	1.30E+04	1.65E+04	2.62E+04	7.40E+04
O-tetradecanoyl-L-carnitine (acyl-C14)	1.12E+05	1.38E+05	4.87E+04	4.81E+04	2.52E+04	7.59E+04	4.54E+04	6.56E+04	8.43E+04	6.37E+04	4.72E+04	1.03E+05	8.19E+03	6.43E+04	1.88E+04	4.07E+04	5.68E+04	3.57E+04	6.93E+04	9.03E+04	3.00E+04	5.16E+04	6.66E+04	1.13E+05	5.59E+04	3.02E+04	5.05E+04	1.00E+05	4.89E+04	2.36E+04	3.62E+04	3.97E+04	7.69E+04	8.45E+04	2.49E+05	1.28E+05	7.59E+04	4.76E+04	6.08E+04	6.63E+04	6.25E+04	4.57E+04	2.57E+04	4.13E+04	6.39E+04	6.63E+04	4.34E+04	3.92E+04	3.72E+04	6.93E+04	2.97E+04	2.05E+04	1.49E+04	1.04E+05	4.05E+04	5.04E+04	6.38E+04	2.81E+05
Tetradecenoyl Carnitine (acyl-C14:1)	1.98E+05	9.80E+04	4.53E+04	8.12E+04	5.06E+04	7.43E+04	4.99E+04	8.49E+04	7.48E+04	7.75E+04	5.61E+04	1.22E+05	2.24E+04	7.64E+04	3.35E+04	4.13E+04	7.81E+04	4.77E+04	9.49E+04	1.17E+05	5.29E+04	7.53E+04	8.50E+04	2.00E+05	6.62E+04	4.43E+04	6.41E+04	2.02E+05	6.43E+04	4.85E+04	7.97E+04	7.29E+04	6.64E+04	9.27E+04	2.67E+05	1.92E+05	9.89E+04	6.90E+04	1.02E+05	6.15E+04	7.40E+04	4.84E+04	3.59E+04	1.05E+05	9.04E+04	8.38E+04	7.82E+04	9.70E+04	7.24E+04	8.50E+04	7.67E+04	5.39E+04	3.00E+04	1.47E+05	7.20E+04	9.65E+04	6.45E+04	3.23E+05
L-Palmitoylcarnitine (acyl-C16)	1.12E+05	1.05E+05	6.19E+04	8.77E+04	4.03E+04	9.56E+04	5.62E+04	7.73E+04	9.23E+04	7.89E+04	4.42E+04	8.97E+04	1.65E+04	5.94E+04	3.09E+04	5.47E+04	8.46E+04	5.17E+04	7.82E+04	7.88E+04	4.72E+04	5.90E+04	5.20E+04	1.32E+05	6.44E+04	4.69E+04	7.55E+04	1.09E+05	6.04E+04	2.42E+04	4.99E+04	5.96E+04	6.97E+04	9.45E+04	2.71E+05	1.02E+05	1.16E+05	5.40E+04	7.98E+04	6.46E+04	7.07E+04	4.46E+04	3.36E+04	4.29E+04	7.42E+04	9.43E+04	7.33E+04	4.84E+04	7.11E+04	8.56E+04	5.18E+04	2.88E+04	3.41E+04	9.20E+04	8.09E+04	8.90E+04	1.09E+05	3.26E+05
Hexadecenoyl-carnitine (acyl-C16:1)	8.20E+04	8.93E+04	3.46E+04	3.43E+04	1.62E+04	5.34E+04	2.88E+04	4.07E+04	6.76E+04	4.52E+04	2.48E+04	5.25E+04	1.59E+04	6.30E+04	1.98E+04	4.16E+04	8.28E+04	3.36E+04	3.72E+04	6.34E+04	2.91E+04	3.82E+04	4.52E+04	6.59E+04	3.42E+04	2.66E+04	5.93E+04	1.01E+05	3.81E+04	1.79E+04	3.40E+04	3.05E+04	6.43E+04	8.14E+04	2.03E+05	9.41E+04	8.45E+04	3.35E+04	4.42E+04	4.03E+04	5.95E+04	2.85E+04	1.51E+04	3.04E+04	5.37E+04	5.41E+04	3.60E+04	4.82E+04	2.63E+04	5.00E+04	2.79E+04	1.76E+04	1.67E+04	8.91E+04	5.85E+04	3.50E+04	6.29E+04	1.79E+05
O-octadecenoyl-L-carnitine (acyl-C18:1)	1.07E+05	6.18E+04	4.05E+04	5.94E+04	3.52E+04	9.24E+04	3.64E+04	9.36E+04	8.52E+04	4.79E+04	3.61E+04	8.83E+04	1.98E+04	6.91E+04	3.01E+04	5.22E+04	9.89E+04	5.51E+04	6.62E+04	8.05E+04	3.78E+04	4.76E+04	6.47E+04	1.21E+05	7.51E+04	4.19E+04	7.01E+04	1.12E+05	4.06E+04	2.72E+04	5.14E+04	5.35E+04	5.92E+04	7.26E+04	3.01E+05	8.75E+04	1.15E+05	4.83E+04	5.68E+04	4.36E+04	7.55E+04	4.59E+04	2.88E+04	5.13E+04	8.79E+04	1.22E+05	9.33E+04	5.77E+04	6.41E+04	8.71E+04	4.53E+04	2.95E+04	2.03E+04	9.75E+04	1.01E+05	9.64E+04	1.28E+05	2.71E+05
acyl-C18:2 (Linoleoyl-CoA)	1.07E+05	9.98E+04	5.77E+04	8.33E+04	2.16E+04	6.06E+04	3.29E+04	5.26E+04	5.23E+04	3.78E+04	4.04E+04	9.63E+04	2.26E+04	6.95E+04	2.57E+04	3.87E+04	1.01E+05	4.78E+04	5.93E+04	7.87E+04	2.76E+04	4.41E+04	6.64E+04	1.38E+05	3.33E+04	3.42E+04	6.27E+04	1.47E+05	3.87E+04	2.70E+04	5.48E+04	7.94E+04	6.68E+04	5.97E+04	1.67E+05	9.79E+04	1.02E+05	4.05E+04	5.09E+04	4.78E+04	7.00E+04	6.53E+04	5.39E+04	3.89E+04	7.53E+04	8.66E+04	6.69E+04	4.81E+04	4.40E+04	8.25E+04	3.33E+04	3.16E+04	3.57E+04	1.38E+05	5.72E+04	5.25E+04	6.81E+04	1.52E+05
acyl-C18:2-OH	1.41E+04	9.17E+03	1.15E+04	2.62E+04	1.70E+03	5.41E+03	0.00E+00	0.00E+00	1.10E+04	1.21E+04	6.77E+03	1.99E+04	0.00E+00	1.68E+04	0.00E+00	1.02E+04	1.19E+04	1.36E+04	8.73E+03	1.32E+04	0.00E+00	1.22E+04	1.46E+04	2.83E+03	2.72E+03	7.43E+03	0.00E+00	2.74E+04	5.56E+03	1.81E+03	1.29E+04	1.07E+04	1.53E+04	8.91E+03	2.80E+04	8.94E+03	9.97E+03	5.07E+03	3.07E+03	4.77E+03	1.06E+04	1.50E+04	1.51E+04	1.01E+04	1.47E+04	1.06E+04	1.04E+04	1.01E+04	1.21E+04	1.27E+04	0.00E+00	8.07E+03	4.97E+03	1.89E+04	3.25E+03	9.34E+03	6.06E+03	3.57E+04
acyl-C20:4	2.30E+04	1.26E+04	1.36E+04	1.45E+04	5.65E+03	1.09E+04	6.12E+03	1.43E+04	1.19E+04	8.29E+03	8.61E+03	1.77E+04	6.47E+03	2.62E+04	3.24E+03	5.29E+03	1.50E+04	9.36E+03	2.32E+04	1.84E+04	6.35E+03	9.29E+03	1.22E+04	3.28E+04	1.25E+04	7.52E+03	1.35E+04	2.73E+04	8.93E+03	5.11E+03	1.11E+04	1.97E+04	1.07E+04	1.21E+04	3.01E+04	2.00E+04	1.39E+04	8.54E+03	1.55E+04	1.06E+04	2.09E+04	1.18E+04	4.73E+03	1.30E+04	1.89E+04	1.79E+04	1.49E+04	1.06E+04	1.10E+04	1.78E+04	9.03E+03	7.29E+03	5.94E+03	2.32E+04	9.46E+03	7.30E+03	9.81E+03	1.50E+04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	parent	medRt
L-alanine	C00041	90.0549	0.68
L-arginine	C00062	175.1189	0.62
L-asparagine	C00152	133.0606	0.70
L-aspartate	C00049	134.0447	0.71
L-glutamate	C00025	148.0605	0.68
L-glutamine	C00064	147.0763	0.67
L-histidine	C00135	156.0768	0.61
L-leucine/isoleucine	C00123	132.1017	0.67
L-lysine	C00047	147.1127	0.59
L-methionine	C00073	150.0583	0.67
L-phenylalanine	C00079	166.0860	0.67
L-proline	C00148	116.0705	0.67
L-serine	C00065	106.0498	0.68
L-threonine	C00188	120.0654	0.66
L-tryptophan	C00078	205.0969	1.72
L-tyrosine	C00082	182.0810	0.68
L-valine	C00183	118.0860	0.68
L-cystine	C00491	241.0305	0.70
Cytosine	C00380	112.0505	0.67
IDP	C00104	429.0241	0.87
Allantoate	C00499	177.0608	0.60
5-Hydroxyisourate	C11821	185.0322	0.66
2',3'-Cyclic CMP	C02354	306.0489	0.70
5-6-Dihydrothymine	C00906	129.0658	0.66
Pyridoxal	C00250	168.0654	0.68
Pyridoxamine 5'-phosphate	C00647	249.0605	1.72
Nicotinamide	C00153	123.0552	0.83
Phosphate	C00009	98.9840	0.76
Glutathione	C00051	308.0905	0.87
Glutathione disulfide	C00127	613.1578	0.87
5-Oxoproline	C01879	130.0498	0.67
S-Glutathionyl-L-cysteine	C05526	427.0940	0.70
Dimethylglycine	C01026	104.0705	0.67
Phosphoserine	C02532	186.0185	0.70
Ornithine	C01602	133.0971	0.59
L-Citrulline	C00327	176.1028	0.66
Spermidine	C00315	146.1651	0.63
5-Guanidino-2-oxopentanoate	C03771	174.0871	0.67
Creatine	C00300	132.0768	0.67
Creatinine	C00791	114.0661	0.67
N-Acetylornithine	C00437	175.1076	0.67
Guanidinoacetate	C00581	118.0612	0.66
trans-4-Hydroxy-L-proline	C01157	132.0656	0.67
Pantothenol	C00864	220.1174	1.70
5-6-Dihydrouracil	C00429	115.0502	0.68
Taurine	C00245	126.0219	0.70
L-Methionine S-oxide	C02989	166.0531	0.85
Indole	C00463	118.0650	1.73
Indole-3-acetaldehyde	C00637	160.0756	0.67
Indole-3-acetate	C00954	176.0704	1.88
Indoxyl	C05658	134.0600	1.84
kynurenine	C00328	209.0918	0.67
Anthranilate	C00108	138.0550	0.67
Serotonin	C00780	177.1021	0.67
Ectoine	C06231	143.0815	0.67
N-Methylethanolamine phosphate	C01210	156.0420	0.65
Sphingosine	C00319	300.2891	1.98
Sphingosine 1-phosphate	C06124	380.2553	1.90
Acetylcholine	C01996	146.1175	0.67
L-Carnitine	C00318	162.1123	0.66
acetyl-carnitine (acyl-C2)	C02571	204.1229	0.67
propionyl-carnitine (acyl-C3)	C03017	218.1385	0.67
butanoyl-l-carnitine (acyl-C4)	C02862	232.1540	1.70
acyl-C4-OH (Hydroxybutyrylcarnitine)	HMDB13127	248.1486	0.67
acyl-C5:1 (Tiglylcarnitine)	HMDB02366	244.1540	1.92
acyl-C5-OH (hydroxyisovalerylcarnitine)	ac107	262.1642	0.67
hexanoyl-L-carnitine (acyl-C6)	HMDB00756	260.1854	1.77
L-octanoylcarnitine (acyl-C8)	C02838	288.2163	1.83
O-Decenoyl-L-carnitine (acyl-C10:1)	CID57357170	314.2321	1.85
O-dodecanoyl-carnitine (acyl-C12)	HMDB02250	344.2791	1.93
O-dodecenoyl-carnitine (acyl-C12:1)	HMDB13326	342.2635	1.91
O-tetradecanoyl-L-carnitine (acyl-C14)	HMDB05066	372.3103	1.99
Tetradecenoyl Carnitine (acyl-C14:1)	HMDB13329	370.2948	1.96
L-Palmitoylcarnitine (acyl-C16)	C02990	400.3417	2.06
Hexadecenoyl-carnitine (acyl-C16:1)	HMDB06317	398.3260	2.00
O-octadecenoyl-L-carnitine (acyl-C18:1)	HMDB06351	426.3573	2.07
acyl-C18:2 (Linoleoyl-CoA)	HMDB01064	424.3414	2.02
acyl-C18:2-OH	ac123	440.3362	1.97
acyl-C20:4	ac125	448.3408	2.01
METABOLITES_END
#END