#METABOLOMICS WORKBENCH micaelaroy_20211228_061043_mwtab.txt DATATRACK_ID:3017 STUDY_ID:ST002041 ANALYSIS_ID:AN003321 PROJECT_ID:PR001288
VERSION             	1
CREATED_ON             	January 3, 2022, 8:09 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 Medical Campus
PR:LAST_NAME                     	Roy
PR:FIRST_NAME                    	Micaela
PR:ADDRESS                       	13001 E 17th Pl, Aurora
PR:EMAIL                         	micaela.roy@cuanschutz.edu
PR:PHONE                         	9259977554
#STUDY
ST:STUDY_TITLE                   	Irradiation causes alterations of polyamine, purine and sulfur metabolism in red
ST:STUDY_TITLE                   	blood cells and multiple organs (Spleen)
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 Medical Campus
ST:LAST_NAME                     	Roy
ST:FIRST_NAME                    	Micaela
ST:ADDRESS                       	13001 E 17th Pl, Aurora, CO 80045
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=AM11-1
SUBJECT_SAMPLE_FACTORS           	-	2	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-2
SUBJECT_SAMPLE_FACTORS           	-	3	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-3
SUBJECT_SAMPLE_FACTORS           	-	4	Treatment:Saline | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-4
SUBJECT_SAMPLE_FACTORS           	-	6	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-5
SUBJECT_SAMPLE_FACTORS           	-	7	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-6
SUBJECT_SAMPLE_FACTORS           	-	8	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-7
SUBJECT_SAMPLE_FACTORS           	-	9	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-8
SUBJECT_SAMPLE_FACTORS           	-	10	Treatment:IV iron | Radiation Dose:no irradiated	RAW_FILE_NAME=AM11-9
SUBJECT_SAMPLE_FACTORS           	-	11	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-10
SUBJECT_SAMPLE_FACTORS           	-	13	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-11
SUBJECT_SAMPLE_FACTORS           	-	14	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-12
SUBJECT_SAMPLE_FACTORS           	-	15	Treatment:Saline | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-13
SUBJECT_SAMPLE_FACTORS           	-	16	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-14
SUBJECT_SAMPLE_FACTORS           	-	17	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-15
SUBJECT_SAMPLE_FACTORS           	-	18	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-16
SUBJECT_SAMPLE_FACTORS           	-	19	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-17
SUBJECT_SAMPLE_FACTORS           	-	20	Treatment:IV iron | Radiation Dose:Gy7	RAW_FILE_NAME=AM11-18
SUBJECT_SAMPLE_FACTORS           	-	21	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-19
SUBJECT_SAMPLE_FACTORS           	-	22	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-20
SUBJECT_SAMPLE_FACTORS           	-	23	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-21
SUBJECT_SAMPLE_FACTORS           	-	24	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-22
SUBJECT_SAMPLE_FACTORS           	-	25	Treatment:Saline | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-23
SUBJECT_SAMPLE_FACTORS           	-	26	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-24
SUBJECT_SAMPLE_FACTORS           	-	27	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-25
SUBJECT_SAMPLE_FACTORS           	-	28	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-26
SUBJECT_SAMPLE_FACTORS           	-	29	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-27
SUBJECT_SAMPLE_FACTORS           	-	30	Treatment:IV iron | Radiation Dose:Gy8	RAW_FILE_NAME=AM11-28
SUBJECT_SAMPLE_FACTORS           	-	31	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-29
SUBJECT_SAMPLE_FACTORS           	-	32	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-30
SUBJECT_SAMPLE_FACTORS           	-	33	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-31
SUBJECT_SAMPLE_FACTORS           	-	34	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-32
SUBJECT_SAMPLE_FACTORS           	-	35	Treatment:Saline | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-33
SUBJECT_SAMPLE_FACTORS           	-	36	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-34
SUBJECT_SAMPLE_FACTORS           	-	37	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-35
SUBJECT_SAMPLE_FACTORS           	-	38	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-36
SUBJECT_SAMPLE_FACTORS           	-	39	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-37
SUBJECT_SAMPLE_FACTORS           	-	40	Treatment:IV iron | Radiation Dose:Gy9	RAW_FILE_NAME=AM11-38
SUBJECT_SAMPLE_FACTORS           	-	41	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-39
SUBJECT_SAMPLE_FACTORS           	-	42	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-40
SUBJECT_SAMPLE_FACTORS           	-	43	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-41
SUBJECT_SAMPLE_FACTORS           	-	44	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-42
SUBJECT_SAMPLE_FACTORS           	-	45	Treatment:Saline | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-43
SUBJECT_SAMPLE_FACTORS           	-	46	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-44
SUBJECT_SAMPLE_FACTORS           	-	47	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-45
SUBJECT_SAMPLE_FACTORS           	-	48	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-46
SUBJECT_SAMPLE_FACTORS           	-	49	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-47
SUBJECT_SAMPLE_FACTORS           	-	50	Treatment:IV iron | Radiation Dose:Gy10	RAW_FILE_NAME=AM11-48
SUBJECT_SAMPLE_FACTORS           	-	51	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-49
SUBJECT_SAMPLE_FACTORS           	-	52	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-50
SUBJECT_SAMPLE_FACTORS           	-	53	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-51
SUBJECT_SAMPLE_FACTORS           	-	54	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-52
SUBJECT_SAMPLE_FACTORS           	-	55	Treatment:Saline | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-53
SUBJECT_SAMPLE_FACTORS           	-	56	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-54
SUBJECT_SAMPLE_FACTORS           	-	57	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-55
SUBJECT_SAMPLE_FACTORS           	-	58	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-56
SUBJECT_SAMPLE_FACTORS           	-	59	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-57
SUBJECT_SAMPLE_FACTORS           	-	60	Treatment:IV iron | Radiation Dose:Gy11	RAW_FILE_NAME=AM11-58
#COLLECTION
CO:COLLECTION_SUMMARY            	At day +4 post irradiation, mice were euthanized and tissue was collected,
CO:COLLECTION_SUMMARY            	weighted, and stored at -80C until further processing.
CO:SAMPLE_TYPE                   	Spleen
#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            	Tissue was extracted in 1mL of methanol:acetonitrile:water (5:3:2, v/v/v).29
SP:SAMPLEPREP_SUMMARY            	After vortexing at 4°C for 30 min, extracts were separated from the protein
SP:SAMPLEPREP_SUMMARY            	pellet by centrifugation for 10 min at 10,000g at 4°C and stored at −80°C
SP:SAMPLEPREP_SUMMARY            	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 (Nemkov
MS:MS_COMMENTS                   	et al., 2019). Metabolites were manually selected integrated with Maven
MS:MS_COMMENTS                   	(Princeton University) in conjunction with the KEGG database. Peak quality was
MS:MS_COMMENTS                   	determined using blanks, 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	86160710	88935210	89840030	99215710	88120180	86723340	96036090	81180740	86114260	126164000	140138300	129166000	134895900	84844110	105155500	108610000	110407800	104848200	106478600	107550200	127291300	83015290	111618900	66321050	80333060	76252360	76174490	76937300	156447300	126793100	133920900	151933600	168645900	103679900	109762800	145032000	98682720	127416500	137584300	128621600	165098400	139633000	140031600	102840300	118519900	158864700	139026100	136466100	136219500	127326200	142771600	166099000	152553100	119036100	75437900	134450200	123363100	76943030
L-arginine	3854731	4203158	2709934	2942231	3940265	4839182	3032188	2596144	3454270	8029744	5260262	6566862	4193989	5158646	6098232	5612254	4965550	5395508	8858752	7073606	3766614	2844616	4702674	4703000	3433443	3778185	4231100	3582112	3473810	8429473	4862992	7735968	5620100	5375204	6936654	14426930	9088263	7475072	5688666	6383846	12312670	7508500	7858838	12724160	9110594	8772288	12187180	9572140	9920012	8213138	10557090	6291868	10924320	9003797	11970630	12640130	12301590	9015604
L-asparagine	3175497	3126195	2473650	3016493	4443960	3110364	3391263	2788581	2742692	5236454	4649706	5090918	3383639	4166767	4834870	5490582	3926419	4967708	6565070	5573322	4325758	3199136	4926202	3370159	3244122	4474032	3128300	3402488	4296340	6764942	3882314	5159686	5179656	4437018	6371086	10845340	5295994	5512584	5163396	5416040	7802390	5367996	4342952	8094192	7482088	9084825	8328578	8107962	6190988	5824856	6589416	6301660	6824234	6200882	6778104	9204661	11266360	8367674
L-aspartate	34525970	35857080	32986700	35184810	32580210	27228040	31621370	25661930	29666400	20290880	21487090	17607640	15442450	19900020	19785000	18595140	20041140	20799010	19107650	19542300	18104500	11348470	14514800	16778990	18689380	19112480	16596060	10430120	11830770	12495540	9871299	14632880	15307570	11733480	17059390	26222600	14923140	16925190	14049480	14735000	15237840	13948350	11876920	14727180	15719510	22398180	17401750	16293540	17616680	12157860	16356390	11545280	15950280	11117930	13033120	16959580	22245840	16916160
L-cysteine	988560.3	867879.2	885082	757641.4	1269965	942041.3	1434838	1256667	1284482	1303195	1606461	2079278	4235210	2665798	4404491	4399606	4228850	2950760	1905855	2142525	4460098	900948.2	1850320	3262454	4514412	6012170	3462289	3539657	1532339	2371350	1478564	1997724	2100757	1408438	5256865	3641781	6190950	2565725	3656669	1837492	2349232	1487302	2409858	4097475	1257848	4891550	5492057	4712774	2169996	1500813	2952277	6702714	2194803	12335870	2408487	5339606	4453194	2643208
L-glutamate	153212800	167986800	159847900	159532600	151757600	133596200	144333400	134891500	136954600	88177300	99095550	75834080	93799330	101197600	111305600	102347600	123588200	109462500	91014740	96369440	83075900	52947210	74440820	106768100	88577940	108013400	76056680	65493670	113229000	61972940	67603340	63391930	69285120	87463700	87328280	143004900	89814790	96333470	81767240	71702020	74533240	60211800	63730460	102946900	122704100	119919900	113183900	102072800	82162980	71424780	92796740	95348190	85866150	104700400	69869020	116598000	124419400	98782820
L-glutamine	78547690	67628680	75981220	64604880	75003400	75410900	60369310	72514180	68379810	140689200	137681400	127409400	86956570	100057500	78749420	66860290	64239380	84901320	120577400	117347300	95508450	84124750	97983240	74687510	71747000	70805740	54161420	66754260	111817400	136375900	114756200	143789600	145587900	88480390	122334500	112262500	65837920	98975200	142581300	132727600	139600500	119885000	109530000	87255240	98204580	79431670	90754630	86240970	127378300	110196500	126672300	102992600	124749200	76960080	58507630	88051060	93492890	80598660
glycine	16648770	15307980	16277100	17747090	15449620	16408490	17357180	15344120	12599120	19147390	21632190	20584940	21902400	16289590	17777210	18430290	20278760	18433770	20211980	19282450	20571060	11766240	18284710	13656720	14951490	12501250	11920940	19375840	25912560	19698250	20345290	18314780	21681150	17286970	21289430	22248260	14340870	18145290	21790370	17924850	20307680	20242990	17928710	20600150	21287160	22929030	21565730	22744720	17869250	18668220	20329750	26805780	20235250	24975690	12142290	20629130	16820770	14049870
L-histidine	16428620	11250540	11579860	14337810	12278810	11774420	7921984	7019482	9159373	43472160	27410740	40208740	23697630	11461620	12740880	12985350	10274480	12789280	26391700	31874970	24244080	16658170	28648430	11857620	10381550	8992705	8716113	14947730	34675900	41507940	37439750	47678590	44949750	12219150	19297240	24979380	13862820	21602560	35783040	40055790	55883880	38242860	31713310	26884170	15736880	20088850	19706950	23029290	41656760	32214330	41586320	30178300	39324570	16299060	15745270	18563920	20920510	15649940
L-leucine	235875500	315718000	277980500	291587900	279053700	314150100	229093800	236629400	193052300	569654300	477503900	543233500	346105500	194325000	273877300	300496000	266767000	314434400	488348600	339588100	287691300	274722300	440378700	293368000	190824000	278872700	204035400	253633200	419558000	647085600	546901300	619420200	836160500	377660600	527833400	741860900	364948300	410257300	462167000	512293200	712889900	571889300	613480900	550386200	397518600	525418100	494326600	498059300	601035300	417155900	656715200	509449400	699558600	393498800	540473900	506688700	570947900	485827700
L-isoleucine	28673810	29977670	28420310	23873250	31916960	28764670	24355410	19437860	22688530	60646080	57801600	59856610	37646170	23475950	32157310	35299160	26851860	35010960	50280800	50288440	36540940	31485530	41380670	25274500	25710080	27423030	24365010	25519550	55726400	69223830	64375560	81822950	92781630	34499980	53591140	77430950	47990760	63245920	52484050	67834720	100099000	68736890	76545550	69856490	42907410	66441320	59583680	70028960	80350850	54090830	68839970	60796570	73375690	44533420	58633380	56339020	61769040	52641540
L-lysine	19444550	21378170	15443060	16392820	21586780	24589940	11427420	10749580	17243410	42636850	37120490	35038670	24927910	12843300	20004150	21958840	13866810	16447450	36186700	30290690	19217860	24212330	29118970	13860100	13252000	11704850	14635920	14379980	37609010	48707930	40442520	55158640	56925310	18471970	34925760	41328760	26120630	35375580	40026840	50328440	63484020	42940500	45740400	37197260	29042570	41278310	37928260	31010210	56885780	36604950	51909850	37318120	50265740	28545720	33493280	34190420	33450860	27638540
L-methionine	37432400	53716880	46156720	44008130	51735630	57446160	45195020	34938660	31291090	67250180	60912580	57296340	53697770	40421260	52065320	53258000	48100000	56138400	68392200	55863040	35498020	40863410	50574180	45659160	33289960	42684270	34016880	42140560	64223740	81193980	65691560	68840720	92762820	64783220	89982400	118099600	59227170	69472960	56636790	65144480	82117540	76912940	90575480	96920060	67791130	92431680	84397340	90207540	78965630	50571410	92739190	74525440	95899460	74900660	99839500	99426950	111313500	92800860
L-phenylalanine	9339165	11133860	9086944	9745913	11837950	12387080	7878890	7238990	8066824	23623080	21196440	22901690	12553620	9612383	10961350	12781240	8551617	13987400	18886090	19676560	12976820	11260260	15405550	10312090	10784720	8541175	8899101	8808672	20347270	27381240	23223110	32797310	36771240	13795940	20952490	28450060	17924070	23627480	20412370	30425010	41719440	26963830	29892940	25530870	18276350	27338580	24876140	25427190	31679660	22966530	31014270	23418670	30488390	17419570	22723880	22379090	24785360	21263800
L-proline	146216500	135340200	131300800	127045100	146440100	182196300	127988800	127670700	114613600	197303200	228284100	217013300	168091000	110236200	156929000	178882000	152048600	142672100	148691000	136000100	139124200	100451400	137884800	100092400	105262100	106030300	91208150	101694900	256247400	171025000	264377400	251428500	292508600	210026300	361841400	323794000	206897500	245803500	194994700	202888900	229426700	206756300	210848200	292440400	192897100	306664700	278490700	282971100	232390400	174381100	221690300	218246400	210023300	241721500	192949100	240355000	227102800	155707000
L-serine	5479527	6000654	4792228	5480846	7766314	8027094	5633398	4919874	4726030	11111120	11475400	11700170	6549218	8082530	8970974	10780020	7880716	10067510	13760770	11371200	7706578	7960302	9379197	6797648	6498578	7876896	6203676	6195420	8586656	13936570	9577864	12729660	14992600	9295411	12442290	21697000	9240856	13517700	10316590	12296380	17189120	12351500	11487660	14411840	13342600	16128780	13909540	14722070	14278400	12485050	13516650	11931460	14585800	10692610	11788320	16125350	18504640	14587550
L-threonine	16878420	20232170	18651730	18063350	18100640	18880130	16212440	14796000	14482070	27190270	29921260	26517850	20370710	18300540	19383210	21422580	18175340	22640250	25338780	21477490	20451560	16386550	18883300	15106620	14460510	16097920	12308340	17087870	25123900	29427090	26853440	32575860	37134860	21953370	31800150	43491100	22268810	30320390	28760950	28176740	38772020	27750720	29362770	31456650	25275630	31677330	31789680	32943410	30308700	25028050	32551470	32694420	34338600	24244340	22255320	31113330	34707360	28243490
L-tryptophan	29377110	29534150	25765820	25990810	28406170	31569490	19022010	20788050	22174730	67920180	58447820	65127380	51014040	27868010	33048390	35829320	27993740	34924220	49730110	51711300	35867560	26242400	42399920	27788280	28570110	29857720	22324890	32421660	62912320	70072760	73820330	79406000	108549000	41402140	79619420	81489150	52323790	63895440	57537260	81149580	95136130	81613820	70163370	64266320	47246500	60164970	66994620	72236470	75406660	62535680	68840790	59436570	74343940	47650180	52942420	59770760	67012880	53379830
L-tyrosine	32935740	35104320	33633480	33553940	35734930	39691440	27691300	26684390	22497210	61940670	48006860	55375880	48882290	29081500	40050500	43487470	43576080	37488870	58213860	52209720	30500710	30030640	49903000	36854520	34552370	38289600	29496180	56104210	71256310	77415750	62378480	63163080	79206060	59130990	83792490	94279010	51459940	60725470	55666130	64623580	70670520	64380590	66568890	84736330	56433540	73259410	70064120	88684730	61650070	47338320	70946790	64929170	73782710	68230820	79495860	70480660	77812700	63602490
L-valine	161505500	189107800	176386000	183744300	160821500	180950400	135113900	144736500	116123200	311422600	295897100	306012600	221290200	116841300	158892400	168176900	168053000	181593100	214188800	207965400	206116600	164692100	254455400	167567700	122402000	147181500	114876600	191166700	296562600	362022800	341896200	360576900	461522500	219583100	296116000	372703400	206083200	229032900	306173400	298820400	403828900	327866800	339243700	317524600	178713800	300136400	277703100	306461300	346734800	260334000	387795400	347069100	398004100	238609700	267266600	274923300	285939700	241033000
L-cystine	168363	45413.67	102956.7	77276.15	208593.8	273653.5	310225.5	198075.1	212547	197555.4	419451.1	261797.7	477334.4	949038.5	699621.3	618116.6	910820.8	639274.6	250206.5	199195.6	49408.52	141962.5	191816.8	296443.3	392642.6	603248.5	435082.5	1346835	987571.2	301116.4	463627.8	235721.3	327065.7	2226244	570206.2	885933.9	753308.2	986278.7	210609.7	371772.1	215304.1	503393.6	301152.9	852011.6	3268194	2116635	709899.8	2549136	247519.4	179603.4	304512.6	330756.5	301518.9	915086.7	732741.7	1017538	831182	524111.1
AMP	43126580	26053950	38660710	44673860	34511760	33283380	34346130	45695120	38604480	43249070	48710320	41049180	49306620	23347840	26433110	23845240	32622590	22061010	16009400	37371710	41628960	22467820	45064210	26180040	31742430	28229100	34078990	27830150	36890580	16952450	49302320	54415600	43503850	12656520	31676110	8009818	22651100	16375900	35878480	25758130	20198730	47927650	20080990	12302310	15352280	8460575	13518200	16492330	25380450	37807080	7999974	23542710	20358670	21017300	3421582	5095558	3083277	3149769
Adenosine	41686980	76013360	31794070	43636080	36566280	31485840	40842750	52172740	42466050	51501440	50145940	50801590	30331260	82444220	29865690	77147940	76285470	92795500	21803670	44925160	41878540	34351010	41885580	72722340	100664800	134296500	85388810	59091480	31886370	24673540	43558220	57701010	45260340	66195280	84233920	43557450	60065260	44657210	32475970	36698110	27508640	49118090	37879450	26732370	16875060	12023700	19794860	17322460	33367540	41907520	21999070	14798740	20772430	10350180	13913260	15723840	12009820	18071910
Adenine	4847042	7213374	3979540	4560384	4779759	3841507	4606692	5146710	5428118	5450332	5389400	5224423	4690194	6693336	3445467	6071422	6079052	6547274	1981068	3639037	4432864	3143684	4581923	5443396	8290900	10338350	7184148	5287204	4711388	2431715	5053634	5862306	4731614	4257256	6439302	3728321	4655608	4294064	3368883	3440767	2997727	5189986	3309899	2771346	2393794	1778682	2720143	2566232	3409679	3518894	1913543	2090442	2577490	2832958	1597631	1804029	1400977	1919841
Guanine	1093974	1890762	1158631	1479228	1489453	1755956	1370310	1235492	1285562	1805910	2016173	1904349	1470167	1433514	1594957	1332087	1783046	1713970	2206113	1244759	595498.2	1332897	1006334	2680232	1922319	2049771	2100737	2705629	2598216	2531149	1620568	2069665	2839270	1993607	2876320	3467013	1633037	2077590	1442845	1643037	2466281	2030735	2636760	3085412	1608253	3356266	2818071	2990732	2322001	1841749	2846439	2333643	3096577	2176313	3075311	3037239	2736876	2741900
CMP	378582.9	598126.2	391442.8	429181.4	512597.2	445037.2	307855.6	440636.2	516946.4	581181.9	863460.7	375579.1	1877492	374981	2614030	532506.6	1187604	394990.1	661933.6	649672.9	695364.8	631757.2	532025.1	529518.3	554784.7	320158.7	432629.5	1480125	1987431	494190.2	793061.2	330137.3	613000.8	327779.7	721401.5	345432.6	489981.8	345064.4	1422719	779202.5	613258.9	481123.7	547942.6	1179191	4292002	3091716	1261312	2717074	613917.2	520342.7	1178978	5008288	428058.5	8639937	284948.2	1239084	241946.4	346450.1
Cytidine	6313130	5798260	3916384	5076724	7100310	7552368	6278584	5228998	4927592	1889095	1261785	1023790	2612510	2270705	5034810	4366424	4157337	3165338	2603608	1839526	1371728	1623768	1881158	3615087	2799161	4396890	4456148	2778847	4499252	2199570	2070059	1312014	1604188	3965151	6651112	8905386	2465901	3762494	2058098	2181082	2018403	1658751	1932198	6333402	7582048	11460720	6811210	11398270	3420793	1739984	3533450	5553008	2448342	7897218	9904134	9447985	8932244	7710292
Cytosine	7232724	6242098	5922562	6406724	6859994	5322622	4851166	6314796	4598008	1790872	1368639	1364412	2341305	2769744	3769167	3443300	3576085	2323311	1832384	1345640	1281426	1329309	1348804	3237660	2284619	3205079	2674677	2670474	2964415	1788587	1602791	1051041	1333420	2900012	4122293	5995616	2338940	2429167	1916889	1992282	1371150	1330391	1299191	5077190	4542520	6084524	4279896	6173800	1709529	1803746	2669176	3766842	1755558	6038002	5443572	6435480	5306812	4095293
UDP	158447.4	103531.8	123790.4	71474.59	142339	128465.6	139075.6	74607.49	154499.2	189153.3	173968.1	141113.4	202079.3	178746	155932.8	192345.6	231956.4	169691.7	105801.9	179315.5	183879.6	163583.3	237022.4	139613.6	305646.7	231475.8	245279.2	418396.2	163522.1	119098.9	162297.8	143499.2	69325.58	53468.52	111055.7	122494.3	157375.5	149863.7	134919.4	150581.6	150173.8	143739.6	111199.1	205710.5	158027.6	123508.5	162782.4	135358	154870.1	82153.77	157363	158121	155297.5	223609	149357.7	75223.28	107632.3	140745.2
Inosine	3331660	17184020	1863345	4502767	12245720	1915762	3439906	6094208	6150814	1249555	5531216	2029223	5808862	7665608	12126760	2867193	9754181	10021070	16270250	9115894	2640049	14397880	4329280	18457800	5858956	9369186	10672400	16891030	3945478	12848620	2186503	1918078	6749936	11706680	4902644	16211600	11000470	9841616	8331954	9542995	13182480	4825074	9984003	19603680	14806730	16252380	16245760	15911960	9905180	7476400	19105970	12545620	12852480	14527230	21893570	16721180	18225080	23179270
Hypoxanthine	116725100	226571900	100503000	99302100	188114800	115881100	128000900	113048500	112903300	20413010	55514110	39184180	81353410	57376630	107083900	42515460	85924380	64249770	136030700	90045590	37279730	105987700	73493350	98986500	53093740	82073720	89376640	104025900	61605150	98208480	36513560	18383980	51745420	46752650	33468520	86900380	64889940	61158460	73191750	78764060	111929300	53344360	84293590	128349900	138502000	148668800	126638200	129037200	88483560	54956280	163551100	155915700	140988800	184412400	216567100	173280300	150988800	193674700
Allantoate	58731.07	67802.69	66737.73	46230.17	78958.77	94052.79	71738.51	31287.51	48883.99	92200.87	128354.1	108956	115716.1	25575.05	104990.5	166276.4	67736.87	47813.94	120586.3	85078.54	63228.52	172685.6	79624.18	51837.49	49924.13	62340.16	78291.98	95529.41	176471.7	163702.1	177308.4	181338.5	236416.4	134320	137962.9	177941.3	100850.4	219639.5	156658.8	154585.8	168482.5	155656.2	169937.2	140103.6	152697.3	217462.6	175595.5	84783.61	165296.6	111227.4	150318.5	122087.3	156694.5	79313.6	125787.5	131204.2	150837.5	97537.22
5-Hydroxyisourate	5742798	5107212	6939464	6438514	6539658	5595052	4853188	6902798	4879907	11804840	10375540	9158146	7791626	7566068	6270206	4964398	4923370	6456272	10534220	10986100	8984239	6527972	8502869	7170656	6316098	5487119	4902304	4870208	12384530	13024410	11223080	10994500	13361000	9051527	11257850	9107155	6143654	9567513	13788720	13127260	11001590	10595390	11699920	8541187	7479890	8173202	8263232	7933160	10750990	11438990	11240250	9968853	8703510	8887863	5760286	8418625	8715616	7613792
Nicotinamide	87871620	113036300	95476010	101481600	97280140	87781220	88837210	102464000	89386760	93563040	107815000	113068400	77790760	71291220	83654400	76693930	87839080	86688280	108898000	81645960	78427530	88930950	105169700	112597200	75781380	93022270	77119000	75496500	81883810	90334780	93703000	92491540	114431900	77988060	90295680	90289180	70103450	70487300	90679110	88554660	94747350	103811600	104522300	89599260	66538190	79230940	82462020	71419540	103536500	82538040	108914800	101268500	108952300	92634440	87902520	76184360	78818770	98587540
Nicotinic acid	2878646	1715266	2682058	2088163	1440364	2557954	1367257	1192987	1445289	3449399	3418634	2220236	2693696	1781457	2054060	2596717	1579932	2075302	1799236	2133074	2823858	2262118	2475834	1395924	2420338	1982097	1816586	2724163	2814097	1969907	2866519	2681236	1604472	1952471	1977764	1883082	1591983	1788497	1956207	2075896	2008752	2208935	2403253	1534919	1712323	1865897	1880240	1705052	1968684	1590525	2569754	1852746	2417869	2391708	1625287	1592157	1799052	1783499
Glutathione	66022180	106987400	86297620	75817220	103187400	57508960	56132890	84226140	72958700	89569050	99744760	81893050	104997700	91515260	55992840	65439660	80878380	67939670	107216500	113610800	85977950	70017130	111428200	108259900	94449940	100029000	74861650	52862030	45142780	70870260	64633960	73082820	79314810	44543940	69946410	53760050	58878530	42191950	79558230	62861640	78304840	89728120	78299520	54738230	31532080	28359030	56545880	43938000	65896680	58391380	91180900	62192340	98209560	34263660	48102680	61152040	62038180	65989620
Glutathione disulfide	9327792	6711032	8892929	6679846	5295280	7700690	3930747	4903476	7428564	11384910	9550683	9816021	5876714	2287344	1830688	1734700	2395797	1993489	6322902	9337481	4969586	7405110	8458113	2486948	2209514	2693444	2033743	1738960	3853627	7279652	6663986	9033643	8478449	591911.7	2223396	1601271	1471572	1711305	5686082	7450188	6539346	7401796	6850380	1681165	980982.5	1360689	1965173	812923.5	9944507	4463682	7991620	4127000	9379294	1109952	4242917	1908645	3044445	2773353
5-Oxoproline	80496820	81583230	84546230	80570460	82246180	81769770	66871790	82141460	74771660	107718800	106872200	95927290	76621430	83562560	74135780	65430080	68382690	78047160	91750590	95087040	79024070	62580220	76856920	65921640	64164390	67461280	51325570	54199120	89548980	104640500	93589950	100876300	110722900	74361820	99578850	90912490	63233360	85888000	107929400	98457020	103828200	90026620	75186140	91601020	88229450	76771630	88613400	78108100	96261400	83116620	102357200	81628860	99428030	68667720	56109150	80640820	85180050	67414410
S-Glutathionyl-L-cysteine	2348707	1786499	1546062	1249566	2431609	3148381	1576767	1773156	2796176	3015794	3127256	2646347	1904372	2071780	2413949	2424620	2713708	2195637	2042849	2309697	1088882	2018276	1878359	1918059	1568598	2015902	1715976	2198148	2044628	2748121	2156635	2762729	3508592	1442821	2166764	2812716	2869185	2369773	2008575	3001281	3024088	2066377	2123356	2141102	3287466	2615643	2477216	2526213	3395912	1780330	2661428	2617875	3102020	1375285	3041352	2378218	3151816	2449160
Cys-Gly	406069.2	663349.2	604774.1	343380.8	615795.2	435847	321349.3	346824.4	556196.9	595285.6	556777.5	552619.3	741697.6	441799.7	395225.4	525937.7	450993.4	405210.2	558300.8	725177.9	701572.2	497709.8	671465.3	648049.5	579627.8	464382.7	423676.5	422038.8	260648	377457.1	365689	384570.9	527163.8	261747.5	497378.9	367585	316477.2	174143.2	567331.7	451778.1	410495.5	461826.2	361490	397392.8	130937.4	314946	385585	236698.3	312949.4	341716.6	703189.9	427051	445817.3	388324.8	323601	385953.3	335172.6	370043.8
gamma-L-Glutamyl-L-cysteine	238962.9	289328.7	285576	252377.9	519252.2	683901.9	433782.1	484085.5	475966.1	737293.2	803912.1	530576.8	1651778	722359.7	1031183	963056.1	1428166	697191.6	692922.4	593430.2	967898.2	448161.2	808412.7	963074	1048157	699580	821347.4	1904018	1628803	671952.5	547246.6	415453.7	850630.6	571638.8	765408.2	887874.5	812416.4	535943.2	908944.2	549548.4	331506.4	559612.7	736170.6	1146847	965371.8	981162	1152409	1511707	568070.2	284724.2	779948.2	1650840	727940.8	1504905	600076.5	1097975	649714.3	495714.5
gamma-L-Glutamyl-D-alanine	272138.8	247569.7	240589	331692.7	339487	409179	286247.3	421654.9	327066.1	849137.9	792188.1	845262.5	1724245	515817.2	946717	475704.4	923416.1	462796.6	468871.3	505165.3	980089.8	334228	825570.3	406533.8	569416.7	374554.7	429179.5	1273913	1867540	1007814	1174606	1041124	1152198	659784.9	793856.8	757706.2	389772.5	784226.7	1133078	781358.7	572541.5	783552.8	1240854	1102846	718224.8	821499.1	813430.4	1281129	972843.8	725786.4	812547.9	2111523	920560.6	937323.9	468400	740827.8	494135.4	338843.4
gamma-Glutamyl-gamma-aminobutyrate	288680.9	126119	213779.5	243034.3	192691.8	299915.3	147510.5	257115.4	225034.7	676483.5	567751.1	838636.9	412574.8	343620.1	279599.4	166004.8	313816.5	416355.5	215223.3	404719.3	606159.1	287674.5	639892.2	438001.1	384169.5	405715.2	300451.1	420119.2	357027.4	286549.2	376972.9	438436	629815.7	306861.7	391141.8	630792.2	350205.6	281163.2	233833.7	229211.9	222748.9	553225.6	286978	516050.3	167304.5	164789.1	278675.8	355983.3	405938.7	296046.8	163106.9	346220.7	276751.3	184316.4	291250.7	264181.6	305346.4	318436.5
(5-L-Glutamyl)-L-glutamine	109529.4	148657	73095.24	88168.98	124186.3	118901.7	139713.4	99194.28	131657.7	157357.8	301108.4	142288.9	1037115	219510.2	685470.8	162081.6	356633.3	154739.3	133248.5	207235.6	423539.3	129844	346866.9	202678	214060.5	112090.5	212057.2	1033769	966617.8	228849.6	228659.3	192932.8	148256.3	181776.4	377536.1	201784.4	79418.78	126232.2	681726.6	143742.5	102538.8	145663.3	155806.2	499517.4	698483.5	245190	236978.8	716669.8	161827.7	185300.3	428641.4	1435070	176829.2	522241.1	75379.08	503901.2	68490.46	145061.9
Cystathionine	216240.5	44434.34	69518.88	84062.18	74289.56	52530.06	107146.6	88616.96	123554.1	113951.9	210680.1	53877.71	555000.9	174440.2	248692.6	224449.9	489260.9	33465.72	42880.88	151728.8	420261.4	47240.86	221011.9	126982	223099.1	98464.49	195851.4	422688.5	693227.3	157903.2	359976	72475.24	153739.4	196842	125815	72023.05	94816.9	98356.3	335219.5	77275.78	121011.1	157668	90153.93	277438.1	444362.9	367519.2	347651.6	521912.2	90378.56	80927.45	175636.3	653865.5	173805.9	711780.7	69503.4	238343.4	115207.2	104879.6
Dimethylglycine	9971786	13712370	11011540	7485784	14742840	10025080	12014420	7801208	8553729	4177219	2722029	2891676	1824178	1736409	2713953	2829468	1950312	1808151	2188884	2068935	1808353	1788538	1855334	1507335	1546181	1634919	1299981	3542961	3539664	2564266	2377151	2763962	5237014	6282170	5604234	8603879	4553380	6306692	2303514	4089305	2379675	1890688	4645886	4818109	3946382	9589044	5673848	4022122	4280938	1742675	2287773	2354346	2143711	3013898	3635153	3235733	5578024	3121644
Phosphoserine	757134.7	734488.8	772603.9	913139.8	728745.8	683728.7	804631.8	806299.2	627458.6	474749.9	389537.6	484352.9	556478.6	461370	533082.1	485469.5	581872.3	634601.9	500909.9	421438	654656.8	392188.1	434055.2	711451.2	590606.1	594968.9	680694.9	278289	803724.5	394079.2	486624.2	430040.2	443695.9	812111.2	436764.2	743798.9	864322.2	708044.5	736768.8	556478.9	540323.6	338644.8	474598.4	633192.8	720606.6	876101.5	844597.6	795978.8	557734.8	604333.7	573128.4	582965.9	582856.7	664108.7	796546.1	822666.4	869602.9	672863.7
Ornithine	1830940	2601319	1621537	1264309	2289350	3146961	1544840	1081420	1584882	2931531	3618780	2853696	3058983	679778.3	1798290	2713722	1167799	1019956	2075562	1781195	1242396	2475740	1834453	738299.7	812498.5	897137.5	1327935	1730447	5134198	3333010	4352988	4140384	5373456	2189775	4202034	3868257	1894026	3782716	3648524	3772375	3808984	3377800	3801275	3343400	3250449	6166994	3962400	2439142	3804753	2107081	3564635	2740588	3001771	2831962	1964252	2574030	2421264	1573216
L-Citrulline	2390502	2160527	1865060	1386915	1831494	1960911	1768648	1616508	1890546	1623049	1485513	1486414	1866022	1306913	1678960	1598635	2179677	1679448	1604424	1800145	1707111	1696425	1908447	1467617	1380025	1570362	1586490	4887282	1669157	1803997	1925456	1900248	2027357	1293291	883674	2174140	1008396	1610322	1883340	1393471	1538110	2424111	1416424	2608570	2544867	2330004	2120175	4142698	1542506	1580542	1347470	2550088	2054062	1901065	1022736	1198562	1360670	626719.1
Argininosuccinate	173893.7	127634.4	83899.51	122008.7	217239.5	247371	136213.6	73771.69	93271.84	313122.7	298396.5	376311.8	196936.5	192964.6	259071.6	315693.2	227934.5	259371.5	318436.3	328938	149690.2	137101.4	128556.7	108536.8	176447.3	119260.4	139021.5	83834.27	168923.9	227408.5	143956.7	172301.9	303438.9	163501.2	356649	436988.7	286611.2	361349.5	229609.6	244822.8	262364.8	214181.8	413428	446667.6	341041	530960.9	541521.2	406378.5	371531.3	137352.9	428661.4	295017.7	365361	359166.8	436475	501046.6	616738.4	282790.4
5-Methylthioadenosine	669326.5	948100.3	603419.2	541440.3	823598.7	858359.2	497240.3	666192.9	926844.3	486992	467074.6	417674	457137.8	322009	548922.7	410651	385690.9	293913.7	368007	385311.6	293704.2	346429.1	464133.2	347511.8	392994	290456.6	563986.7	364796.5	398179	234440.3	309069	493729.8	506151.7	209879.1	318429.5	455114.4	462019	454899.7	392237.8	348422.2	355127	371572	424383.7	431411.5	344307.4	419208.2	475703.9	296436.5	594225.3	346113.1	254961.2	257817.4	328032.6	310329.8	593277.1	412117.9	379839.5	345528.7
Putrescine	102368.3	126745.4	102756.2	134767.5	188814.7	153361.2	125519.2	210773.1	178556.7	114579.8	169393.7	136272.8	145744.8	379603.5	411126.5	574005.9	90434.74	217417.4	292506.9	185098.9	98875.18	115931.9	126529.5	642330.7	422538.4	536877.9	580996.6	501338.1	173591.1	345497.7	229336.2	228655.2	369186.2	525428.9	769812.8	1055281	995060.5	713704.7	274849.1	302910.1	322591.7	229406.3	243076.6	911719	900888.2	913956.5	790955.3	724720.7	394302.7	376450.3	290928.3	300156.3	241359.2	471559.6	890168.8	756665.6	404925.2	375906.6
Spermidine	548378.9	826575.3	299682.8	476381.4	844469.6	777281.5	292862.7	389920.4	363158.4	229709.7	822469.8	192428.5	1165020	356214.8	1011825	1001239	462564.2	98495.1	700937.1	260109.8	490429.3	237358.9	475133	391954	416216.6	141899.2	682044.1	595079.9	2013246	731025.7	1287377	253290.5	525956.6	1064486	1296481	362774.2	370789	299429.3	1828426	344868.5	324892.8	173674.3	259009.1	1021545	1383888	1836828	1515008	1143524	781658.2	292213.3	2430159	1638500	368557	2284367	623326.6	1931780	214395.8	411346.4
N1-Acetylspermidine	563067.8	556813.5	554408.7	794569.2	542881.7	479699.8	457097.8	807006.7	680954.6	426374.7	626954.4	508766.1	599451.8	634219.2	876896.5	652652.8	319853.2	306428.8	873944.8	688158.1	281336.3	417906.7	484658.9	828935.8	615590	490286.5	637201.8	343484.8	690014.9	1690659	1048212	1046654	1231864	1247228	1587845	1386064	1912059	1444972	973303.8	803952.9	1284576	696714.3	1065984	842990	948442	1034405	1021430	589773.3	1288165	656168.7	582637.3	533699.9	653091.4	440744	917552.6	738575.7	547463.7	559304
N-acetyl-D-glucosamine	222880.8	153888.4	94834.8	224333.9	262693.1	228003.6	240817.4	234557.3	188775.9	244951.4	122735.7	257696.3	235832.9	191150.3	221570.3	194193	232921.5	234085.4	201807.1	243473.6	133933.7	188211	196327	152495.5	98378.12	200262.6	164337.8	137237.3	724462.2	352962.7	462469.8	360991.3	455311.5	425120.3	604350	574724.4	318328.3	357167.3	463492.2	353966.5	350004.5	375847.1	308066.2	408694.7	464919	555744.2	364650.3	755620.4	302005.8	288362.1	277932	413704.1	311617	441253.7	484251.3	357061.7	327046.2	400411.2
CMP-N-acetylneuraminate	785397	289996.7	580074.3	488605.2	422938.9	771371.2	311449.2	363706.3	561754.4	938602.1	699304.8	843304.2	481919.7	35097.95	54401.1	13263.81	142862.1	166570.9	478383.2	624508.8	292874	476569.8	532082.9	96334.79	140618.9	107047.2	140396.4	161162.9	246786.4	512539.1	548009.3	650844	405514.2	0	100379.1	80285.5	115561.6	128752.3	452800.5	575452.2	558162.2	550704.5	572446.8	47915.38	19777.5	62852.88	38464.23	50667.34	827359	376209.8	529393.3	409701	820061.5	49724.9	289520.2	183383.8	246641.1	92384
Asymmetric dimethyl arginine	1554344	1502880	1110814	1065912	3384558	7418312	2089676	1760661	1680198	1821964	1432691	1309639	1363235	2272604	4571922	4868304	2787068	3455621	2031114	1313843	689839.1	1254876	1135037	1321432	2321274	2429936	1980975	2465302	1259698	1670449	1614317	1264736	1857430	3798627	6524068	10142840	3448026	6393720	1687974	1794003	1987576	1150753	1841668	10551220	5633304	10039360	10010240	9626545	2472272	1099138	2666570	2300008	2046823	5896848	7506694	8750671	11217650	4786363
Carnosine	244296.3	265003.1	196972.1	231053	214714.4	262766.9	246151	192019.8	239071.6	195625.7	236651.3	208321.8	161183.7	118612.4	178166	122138.9	144183.9	156358.7	203547.1	282910.5	158429.6	171876.2	299685.3	182285.7	124665.6	130532.7	143969.4	169218	118389.1	264959.5	187539.8	238041.6	207933.8	109463	158522.9	267085.5	122984.2	172745.2	185052.5	224473.6	243916.2	194948.1	219381.6	321608.3	182693.9	181848.7	247755.2	253375.6	296278.4	206734.6	174775	163265.2	240969.8	189000.7	199623.1	213032	215772.2	189204.2
Phosphocreatine	1952377	9898.985	439767.5	184284.8	18607.2	300485.8	386221.7	120831.2	64769.5	755979.6	460361.4	381297.2	2640939	1159563	692697.7	1035423	1993565	223507.1	5809.841	12040.43	4696632	15518.95	1709728	113273	1673965	618285.2	1082030	4074003	3029757	89865.03	2499046	208567.2	8107.712	776200	2353748	122175.5	227921.5	275584.6	1801555	14106.08	9338.83	96596.91	11279.21	978220.7	183457.8	131336.7	355691.4	2185255	16576.24	41415.93	528859.8	2170510	34632.91	1673245	26266.51	47449.93	85642.88	31558.99
Creatine	206149600	136142400	128724900	140742500	151894500	139217900	141137900	133870700	155877100	247263700	316589900	252101300	515583000	259427900	373415200	355154800	363013600	291626600	280898000	234951000	366430400	229693600	277217400	268501200	326988800	301393400	346613500	369938800	517609600	194280500	353610100	245783700	256399600	374191600	357608400	275967800	391827500	313214500	389025900	286139200	255899500	237897800	265997500	368115200	451496100	495582800	444312900	467027600	263491900	233009300	372232900	512428800	218396200	641061400	359979800	395572100	391055600	331813400
Creatinine	1726889	1732129	2029122	1629204	1343705	1427298	1746967	1407121	1277502	1827261	1527810	1324082	2346897	1517308	1676727	1626748	1891755	1864436	1166240	1531932	1470163	1382077	1776969	1930472	1557279	1714898	1746385	1926080	2302948	1482798	1645673	1852307	1893791	1687881	1493682	1687833	1376262	1789003	1711499	1589712	1478538	2579183	1838288	1640370	2183780	1612160	1828008	1789384	1412124	1537248	1483821	1986157	1790110	2023610	1659547	1620213	2018029	1833279
N-Acetyl-L-ornithine	1645206	1532993	1408434	1421180	1929325	1738506	1881162	1953034	2232527	1658844	2280308	1858428	2809026	1655504	2396246	1563625	1806726	1383972	1464685	1502999	2071502	1639424	2185324	2411793	1842564	1588458	1734120	3235413	2507260	1478363	1510867	1424163	1950732	1701244	1852602	2026385	1373331	1835488	1615705	1504342	1339140	2144977	1592046	3149620	2814658	3338894	2120398	3685491	2011514	2170751	1814362	3747775	2050873	3968961	1674096	2120960	1658695	1076259
Guanidinoacetate	6513404	4630047	5000130	4447628	3460315	3185815	3997442	3694001	3390211	7641344	6983874	6935682	10505740	3710108	3292935	2709999	5963302	4008141	5990012	5445356	9736948	3162014	9070744	3120244	3260431	1974454	2125704	11832210	17335100	7319264	13637370	10655950	10409420	4078131	10253800	6550898	1743938	3410505	12824560	7740312	7748678	8865735	6756370	8662194	9399629	6521452	7978258	17734370	7915352	6783022	17817420	30565850	6911786	9479916	1626134	22255350	2602924	2217049
trans-4-Hydroxy-L-proline	2608113	1588954	1810506	2040826	1551235	1250891	1544774	1566994	1556157	1017862	1497460	908077.7	2547138	1506939	1701596	1531178	2146548	1685862	1154985	1737133	1688294	837789.5	2039254	1274553	1498969	711839.4	1023023	1434837	2841498	1576076	1925198	1832222	1668668	1276081	828706.2	1251732	1060469	1184092	1948291	1112640	1319408	2516402	1517602	1332675	2208525	1575382	1944237	1556319	1065666	1558572	1367587	3008683	1733001	1715779	520130.8	712411.6	824328	407372.5
Pantothenol	1945253	1983967	1620428	2203182	2261735	2497611	2044942	1828839	2123132	2671601	2667816	3368528	2058730	2940579	2693885	2944558	2595404	2623720	2647120	2485478	2269425	2730583	2305039	3440372	3604450	3103588	2875470	1942886	2224140	2286221	2859053	2851618	2996745	4305586	6201802	3610186	4262498	3877979	2487972	3013474	3029680	3163011	2922456	2772206	2859577	3668668	3619621	2549809	3571279	2702063	2624948	1628115	2232288	2303395	5287722	3330228	3595447	5821314
Pantetheine	36115.96	47032.73	28957.66	19533.5	88265.26	69161.68	58243.38	49483.64	67381.03	39200.93	52363.31	51065.27	91437.74	94273.23	107539.7	85180.66	124986.4	143893.1	83914.3	67305.55	62873.33	55160.64	52532.67	111359.5	95688.79	164709.7	154770.7	162265.4	103163.5	69704.4	67611.91	40977.22	56735.66	85913.03	101208.3	134611.5	83959.91	82973.91	77965.34	46005.22	77231.38	76500.66	65090.68	183029.8	172599.2	175506.4	140185.1	194860.6	74896.03	43039.84	115871.9	114997.9	50255.06	282890.9	191674.9	204432.7	210032.4	296226.3
Pantetheine 4--phosphate	27088.39	49814.47	22430.59	16415.23	57833.3	23262.62	23740.15	38257.83	25966.03	21607.31	60610.92	39465.86	161667.7	24769.52	86316.8	26257.69	53055.95	27343.1	58918.31	58431.23	43592.89	52857.09	56506.64	25496.6	27624.81	26589.91	44597.04	67569.74	150086.2	43942.57	64098.07	35679.82	38381.5	42450.11	22079.97	11550.39	20414.51	23890.44	97444.56	45670.5	60842.05	43689.02	51218.72	74290.29	191019.8	160787.7	78117.37	143614.6	51796.12	23172.32	85525.98	262503.7	65292.68	540323	49716.86	85392.99	56700.99	62057.95
Hypotaurine	3306323	1501436	1483281	1697202	1889328	1410504	1643689	2133873	1949136	1725383	3997858	1328846	7441756	2409414	4061998	1815298	3040047	1612565	1170349	1612866	5209576	1021278	3422801	2309490	3997438	1689373	2446390	3560233	6304758	2361313	4510496	2329148	1872427	3056268	2101099	5100440	1715004	2083940	5056710	1224267	1775294	2287189	1953993	3900384	4542128	4283068	2946575	2586526	1584555	1702254	2763050	6769368	2205040	5155997	1456448	3609285	2443384	1603719
L-Methionine S-oxide	147937.2	293004.8	203591.3	218743.6	335036.5	412147.2	362090.6	266944.2	283123.6	157873.2	227308.5	185988.6	72919.78	316713.3	509570.9	573564.6	544072.8	601349.9	257400.4	257388.4	109619.7	138896.9	125775.3	353484.2	251873.7	597413.1	441862.5	237562.3	243930.3	255089.1	215743.1	126693.3	298804.2	405093.7	321219.6	1004899	390977.8	497321	181541.4	215602.8	279094.7	267759.4	278980.5	399298.2	484414.5	515097.1	491817.6	503724.8	225672.5	203852.4	232923.6	224691.9	322148.8	294630.2	468741.5	447047.2	598404.5	408332.5
Indole	249140.3	223898.8	201163.2	171893.3	235229.4	256371.9	137244.5	154226	169469	558133.4	495044.2	524750.4	384231.2	245303.3	270282.3	280707.7	231400.2	267799.1	416673.2	415390.8	263559.4	224902.5	334049	221183	194032	246433.3	181261.4	272252.2	521781.7	602016.1	583162.8	763260.4	855707.4	267472.4	688922.8	670476.6	367440.7	556251.7	469898.2	642696.2	795448.6	738052.7	593179.4	542660.7	364134.5	509158.7	576714.9	593423.2	655489.9	369229.6	569931.1	475829.5	615244.2	331485.8	461688.2	426654.2	565073.2	423702.5
Indole-3-acetate	156135.3	138990.5	128726.6	96331.04	222323.1	221479.5	174193.3	153490.9	171159.8	231109.8	249891.3	271567.2	399454.8	304854.5	417930.4	471968.8	349561.8	331010.4	179025.6	209763.2	211798.3	148406.4	296063.1	266674.2	374822.4	417646.8	465625.6	455685.5	385350.1	224179.4	253466.5	277180.5	303636.6	203081.3	365267.9	415038	480451.4	456706.4	332659	297293.5	292113.6	246483	331528.8	440553.7	372425.8	527305.2	468944.5	520193	307903.5	169950.2	233800.8	496801.7	249909.7	656717.4	360600.6	362351.2	374953.8	315968.8
Indolepyruvate	47219.43	39469.61	46220.75	25853.38	45031.18	59689.2	39153.81	25824.13	29795.9	81127.15	69402.05	93892.94	56154.24	39979.44	66191.38	69239.16	45627.64	61564.23	46208.11	73830.01	31708.13	44603.57	68209.84	20188.64	38287.61	51378.91	50514.68	96261.66	100901.9	129083.5	108564	117993.1	104837.6	70641.41	122874.9	174460.4	104841.1	96091.85	80433.1	103995.2	126064	100294.3	87824.12	129983.8	97446.06	144658.4	126213.2	179695.4	72230.38	68308.19	92357.32	89266.23	93796.13	116546.3	115411.4	79461.85	154430.2	101923.1
Kynurenine	8262.076	12042.75	7757.156	3649.075	10264.26	13180.34	6019.648	2924.285	9818.612	19424.15	25808.71	21682.09	16190.67	8884.374	18053.98	23388.88	15366.53	18699.81	12201.25	20647.17	12659.07	22310.91	18022.08	9633.507	15912.24	12813.26	13203.74	17970.19	21201.49	24072.38	23629.83	30558.96	44920.75	21707.46	19152.34	29746.45	18558.75	35128.27	14683.9	24731.56	30776.81	51557.09	38968.8	28157.9	16057.13	36362.18	31921.1	31270.16	28856.38	19492.64	34585.08	31955.75	39249.4	20753.24	26176.72	31804.81	30272.82	22584.73
Kynurenic acid	48955.39	43581.26	45167.29	26501.8	35501.63	59488.28	34279.39	32085.33	57470.93	36104.54	29140.22	56618.26	28415.84	29423.72	25444.06	42418.2	42615.38	45050.57	21488.44	41488.59	20138.51	55231.63	38703.28	22503.1	24178.91	31140.62	46495.39	25961.77	31494.41	22249.84	29453.59	56171.05	41674.17	24541.3	30760.31	21803.67	38519.08	41439.89	33150.86	48445.08	60283.39	39587.96	70847.49	32682.15	23334.95	28858.6	21624.17	25833.93	60456.91	40011.38	43092.41	12569.61	35015.2	21981.66	48506.81	21094.6	45145.61	45928.28
Anthranilate	1055609	993635.8	1061667	940191.9	1148340	1102720	1095332	785185.8	1005921	835965.3	1162240	810168.6	867289.7	698878.2	661032.1	794326	749703.5	731276.8	494143.7	600353.5	661582.4	853253.7	512892.8	468102.3	497483.7	439311.1	624208.8	280694	1273624	991427.3	1168708	975264	707312.4	688809.9	359626.6	600350.2	581307.5	993720	824605.7	888462.4	904172	1433054	1192385	599167.8	704398.7	877423.5	870401.7	858607.3	1134556	660560.4	569711.1	877809.9	911704.1	1109814	806925.5	411884.2	460918.8	179438.2
g-Oxalo-crotonate	1522174	1841905	1225213	1054166	1675635	1476177	1805821	1120329	1129588	326003.8	360254.6	479408.3	858550.7	568593.1	945238.5	541528.2	717909.7	690793.9	986845.5	557803.7	442065.8	1200796	885678.7	761033.5	496331.5	751074.3	845812.8	944478.1	976180.8	934029.2	527066.2	181437.4	554209.4	555035.7	348647.2	635063.3	539268.8	554500.2	616235.3	743997.1	930616.2	490760	1109389	1065358	1405082	1875628	972682.2	1524950	1013552	727479.9	1421575	1213966	1521709	1726279	3156701	1502365	2662008	2210827
Dopamine	53661.23	56454.43	51690.92	46727.16	71767.97	39828.54	46090.16	37039.76	49938.83	125166.6	83947.28	88272.12	52776.5	45288.86	31959.02	30434.56	39171.21	33116.29	68186.24	64677.82	59806.43	41167.48	54240.75	28615.46	30648.13	33158.4	27078.54	32350.41	97746.75	95813.43	137234.5	117842.1	158387	35997.39	32020.02	36682.6	22997.43	27820.65	87729.62	87911.94	116338.8	93709.32	89956.6	24130.62	34058.63	27040.37	32438.45	30386.04	81280.81	108046.1	89677.66	53125.62	76201.96	22696.16	39182.12	51423.92	38383.3	48340.06
Sphingosine	8419.154	8400.171	7256.667	5325.023	10118.33	13224.97	7250.987	7724.624	9019.522	10985.48	11068.9	8963.163	7574.345	10680.85	12713.43	9091.227	11274.18	10945.33	14266.29	13987.15	7636.539	7159.789	9185.038	8607.931	7880.818	7783.912	11742.31	7863.297	11689.55	14805.6	14611.21	16762.59	18296.33	12538.52	24077.12	15375.89	13813.12	15734.71	14203.54	13697.42	14170.34	20855.85	19369.33	13773.33	14867.56	13729.1	14406.99	22563.92	13816.88	6514.497	12792.86	12427.19	17614.15	11836.03	17110.37	12429.2	17904.08	23848.83
Choline	325097500	330716500	310980400	305608300	308117500	265340800	271661700	253228800	239771000	378442800	373696900	371681400	335202300	274025600	303013200	274921200	293697800	286859600	362747800	383564600	303229100	318313300	314901100	274693700	284891600	242297400	258066500	233071200	439799900	363927600	376603000	356268600	403123800	319208300	419955200	340034300	314394300	386480900	415687400	406884300	384044900	352328700	397659300	323107000	318397700	413626700	359671900	364479200	365335800	325900400	401771900	373658200	324949400	336224200	295864500	369253200	365379700	354702100
Acetylcholine	4851274	5043382	4865208	4683511	2845690	2332432	2763034	2305133	2433505	2661332	2841766	2656398	4706995	1666246	2049369	1781014	2306487	1644146	2347787	2408045	3526616	1921050	3183586	1354235	2154674	1147904	1754147	4580946	3228973	2362204	2789507	2263851	2190600	1280581	1368225	2474020	1072116	1263393	2964189	2252055	2269323	2988469	2538329	3088733	1654123	1859512	1935469	3333671	1477335	2189027	2595781	3980256	2010790	4100658	830371.8	2138603	772332	918321.7
L-Carnitine	124586500	134822500	130514700	123475400	112205800	88172920	97973480	119285100	113052200	63996840	84203260	77861430	74816500	72936220	72924440	58142750	68439330	65166900	74198680	66065080	71974740	62524540	58272040	57623780	69449860	67032850	56022540	61116880	45718380	55001500	56907520	62205320	70986970	66531790	61905370	75916660	65630710	60440320	74694620	60429420	66806850	58677740	45355810	85202740	70371260	76813580	79101660	85660940	69236170	68761060	71417830	76596310	67530700	72559210	59625570	59919570	72520450	50801140
Propanoyl-carnitine	2094525	2806176	2463728	1725022	1395791	2026841	1500562	1623647	1267767	2365794	2781698	3278523	2320543	1564788	1924974	3307624	2556039	1710706	2089779	2392237	1818377	1778532	2494521	1838742	2120784	2048203	1552789	2630425	2474823	2736679	2956397	2680958	3075294	2409120	4391043	1630763	2085618	1690363	2550761	1675046	2026464	2493290	2592648	2579024	2163450	2976170	2444043	2319225	2497455	2698316	2387701	2740966	2120705	3767898	3109884	1633150	2468584	2418284
Hydroxypropionylcarnitine	42790.67	41235.8	40522.71	30544.13	36927.41	35961.55	45841.68	39410.26	42418.5	56109.86	51903.26	66425.3	44675.41	54362.21	64510.36	46285.39	54489.03	54329.18	54222.34	53569.25	52623.53	53114.24	44835.35	66277.12	54438.42	64497.25	69323.1	26711.92	44245.86	43234.9	67314.3	61588.75	63805.39	58505.46	67060.55	46950.8	78924.77	58795.12	47370.73	50177.18	60163.64	62857.08	78460.71	35673.22	54491.98	138674.5	65469.93	34974.82	68033.53	61458.87	59754.75	49831.97	49552.49	43677.21	95650.96	54917.93	56103.44	63219.22
Methylmalonylcarnitine	218828.3	182985.9	231477.4	114031.4	173631.8	205986.9	229737.1	154629.3	103640.7	380387	302105.7	366688.7	252050.3	163028.1	158497.5	191967.1	188738.1	201080.1	152831.6	295027.2	222044.4	218071.3	282785.5	223906.3	215438.5	138186.3	176536.2	178490	212597.3	300428.5	307033.5	331578.3	426059.2	294232.7	176837.6	236308.2	162258	201169.2	329355.5	381304.8	424853.3	318642.7	380502.8	344876.8	133022.9	145796	290665.2	300218.7	185573.2	266590.8	466969.8	449846.9	350941.7	428026.7	177624.1	109230.4	174620.2	50129.29
Butyrylcarnitine	2779890	2828277	3470016	2687384	1465634	1696789	2083807	2505968	2241073	1103556	1354736	1426332	2197885	1349598	1430479	1173815	2047258	1306276	883402.1	1053612	1689190	763413.8	1643694	1541893	1835508	1419404	1371955	2387404	1369631	794461	1299262	1207943	1482709	1123651	1408834	957314.6	1034846	910592.5	1479074	958585.3	1052520	1222270	1021783	1091229	1200018	1155656	1274481	1601510	943229.7	1252781	875341.3	1293653	1017156	1394174	1114555	848799.2	770628.3	1055268
Isovalerylcarnitine	1918897	1376554	1776596	1330905	731806.9	857641.2	1188316	851859.2	685204.7	1544885	1594305	1861351	3970173	845216	1508834	1737225	1761527	684554.9	1302906	1330783	1924680	807107.2	1218146	666968.2	965109.8	422878.9	713139	3908667	5731384	1824061	4634974	2655444	2610856	2250379	3727711	1028304	1025542	1353023	3881095	2099114	2301777	1991622	1398756	2225146	4537092	3370351	2548798	4791976	1650380	2697900	2717296	4202617	1203823	5533292	1143801	1899589	746780	1017732
Hydroxyisovaleroyl carnitine	45781.99	45250.01	40249.46	39994.47	33920.87	34215.59	27874.24	37110.34	30153.98	39127.88	50263.82	60526.64	36611.77	26238.52	28949.22	26309.74	31625.57	28940.81	39471.3	39103.31	37757.83	41248.22	42960.5	32811.57	31994.73	33668.27	31611.55	34849.04	32562.64	36371.04	31971.63	46329.91	49710.45	29505.5	36105.56	45281.58	32050.85	40184.71	29437.2	37460.14	31264.2	45557.39	47019.77	48856.86	24141.69	36370.25	38052.45	47563.31	46770.47	37210.54	40277.28	37441.19	42103.2	27466.72	39378.42	17129.94	29609.81	23962.83
Hexanoylcarnitine	988119	882553.2	1175676	816600.7	459748.4	696847.6	761226.8	701139.7	730757	765817.9	619015.1	741957.8	687539.9	472441.2	580198.8	704116.1	771209.8	636871.4	403071.2	487621.4	568839.8	401564.8	563248.4	583434.8	870228.7	710944	685410.8	831290.8	464461.1	436355.3	561355.1	676288.1	755858.5	381116.5	933973	490688.9	463575.9	446197	468419.7	384088.5	329916	797453.2	890135.8	467711.6	387835.8	445743.9	432575.2	406885	623128.3	452929.7	241784.6	344844.4	496513.6	370699.2	604732.8	308080.9	506231.3	483496
Octenoylcarnitine	62693.79	37330.27	64753.08	46368.98	38424.41	45306.56	29191.41	33760.74	32212.58	63008.21	66237.98	47865.61	39751.14	30639.85	30560.16	59461.18	39975.96	45747.72	45631.34	37191.11	45381.64	29763.13	37163.28	37510.81	36714.72	49258.15	49321.32	45509.5	40775.92	38963.48	49273.78	74400.44	60995.98	45400.54	53557.67	52200.04	44733.26	58070.13	46866.89	54746.69	38145.3	68976.16	78932.77	56227.71	31369.82	45278.97	50239.86	48039.05	45918.04	24200.86	27603.46	21005.22	56793.9	34585.37	38637.98	17473.11	61110.3	54759.79
Octanoylcarnitine	260123.7	141685.3	306444.1	219066.2	95305.97	211802	194716.9	193159.7	210454.3	213993.4	182575	196416.3	211386.1	111330	97801	257601.7	210489.8	204032.4	75452.5	150223	173415.5	147682.1	177566.7	178067.6	321213.2	237684.5	285231.9	414480	147510.9	117110.4	167632.6	179705	206918.8	105785.6	265341.7	163026.8	154383.1	179592.9	132656.8	132477.5	102068.9	233291.3	247618.6	154786	103688.4	147995.7	164898.7	154073.8	197411.1	129760.3	71776.02	91891.98	135029.7	96145.5	157225.5	80177.95	179620.2	126566.8
Hydroxyoctanoyl carnitine	162386.4	128440.1	150863.8	107703.6	107697.5	160402.4	106057.9	96703.34	97507.27	258871	215524.7	186804.7	196767	159699.7	249225	199156.7	176266.9	239192.2	191183.9	182792.1	192238.5	220700.3	234179	141415.2	206818	226669.4	194651.7	231830.9	102017.3	135223.6	128991.1	173053.5	218406.5	114869.2	209265.6	177004.8	119108.5	134779.3	124419.1	144414.5	125070.3	255058	300934.4	186687.9	125006.2	184174.4	157344.9	137317.6	230678	114822.9	123735.1	132373	252826.3	144009.4	290769.3	137994.2	221243.3	214641
Hydroxynonanoyl carnitine	29457.59	20879.21	26724.88	35157.46	25827.27	28788.22	50018.22	40466.58	28815.32	94995.03	57759.73	68798.53	23866.62	26511.25	66099.73	68720.54	46325.34	89010.79	45864.42	60922.86	31103.3	30674.96	14613.14	45492.03	51304.21	42774.75	41705	77781.21	162467.9	30550.72	25177.08	34307.75	55329.06	33620.14	75404.76	91032.4	25037.97	133521.2	32944.63	47089.97	24174.86	28569.29	39459.52	107698.4	26420.71	66172.54	76042.31	57613.32	61424.29	33278.91	35239.12	21692.83	65105.83	46607.46	94713.97	102397.8	152534.6	105100.5
Decanoylcarnitine	118998.2	66227.45	147209.7	102928.2	35366.42	128701.4	100390.2	54701.35	71458.28	143409	123862.1	129545.6	130536.8	84050.57	60797.43	146033.5	94038.68	115280.1	26990.07	103274.6	126989.8	88489.85	117255.4	88740.88	182013.2	157660.6	179776.9	225131.2	98622.41	68676.84	139974.2	114818.7	115328.6	89689.48	153943.5	112989.7	90296.69	129206.7	88258.34	74752.78	36809.59	117091.5	112869.1	79740.63	70098.62	60762.62	94791.25	89910.13	106198.5	60297.19	27506.1	52233.76	52968.86	57784.93	93736.16	33244.44	65432.36	79500.02
Hydroxydecanoyl carnitine	66744.99	68895.16	40646.48	33148.96	79742.36	97014.76	50734.27	60165.04	74949.73	134358.8	133775.8	141789.8	94781.16	57618.47	99701.91	113136.8	73927.05	86997.39	104777.8	98219.75	97930.96	130474.5	105733.4	84659.29	122792.5	96519.57	127352.1	106546.3	57130.97	98745.13	74598.05	100912.6	137789.1	57489.18	122173.5	117272	55175.93	114923.6	75677.78	122371.5	115902.3	146573.6	235418.5	110295.7	64862.7	99533.13	116755.5	88728.41	190032.2	80261.11	94382.8	71193.71	192027.8	81554.07	176352.3	73876.47	129132.1	114206.6
Dodecanoylcarnitine	178128	84632.24	224450.4	150543.9	51591.59	199551.4	119740.5	134697	137979.7	377032.8	234528.1	312558.4	239735.6	167598.5	175069.2	229002.5	186369	237148.6	121558.4	215646.8	196431.6	175848.3	183623.4	182619.1	288927.7	204585.1	239183.4	291334.8	207588.4	129115.5	280691.9	289806.5	311859.2	118328.3	398086.2	198893.2	157407.5	265930	215633.5	212999.2	124316.7	266965	300140	185973.9	131032	106114.6	211759	198955.3	267751.6	145800.2	78300.66	108959.6	115093.9	115084.2	174073.4	79178.69	160088.2	160991.3
Hydroxydodecanoyl carnitine	47723.2	52090.76	46730.03	32036.2	74346.01	75623.1	48953.45	49231.95	55110.91	117232.6	135573.5	94817.2	99399.15	90966.52	104980.5	116246.6	73534.53	88372.44	65759.57	74343.89	104086	148402.7	118142.1	58823.95	88612.16	96018.35	130380.4	106949.3	52236.95	78838.29	71306.22	77557.91	88239.04	42185.93	118264.1	95636.49	62010.77	101264.7	55624.29	105225.1	84404.41	91390.04	176128.4	94994.71	96868.4	99198.77	137496	82530.31	133906.7	51816.53	91251.47	85295.73	113723.4	77292.85	174322.4	63045.7	121260.3	195690.2
Hydroxytetradecanoyl carnitine	40079.38	58736.26	43314.55	45810.71	88808.59	83907.76	41199.4	41351.48	71777.09	111218.5	144791	133195	78158.88	82111.38	153620	116005.9	93392.87	114287.6	102132.5	78201.55	78996.43	135378.5	120953.9	104466	132133.7	114014.4	129194.1	193997.3	84654.47	88248.28	82723.3	83561.68	123601.5	76445.3	170808.8	122822	82909.78	108108.8	86424.73	128259.4	67763.1	131541.8	207771.8	175466.7	111841.7	124153.1	145521	151515.1	187697.8	71043.69	108261.7	103333.9	116916.3	103093	186285	84290.02	132955.4	148340.3
Hexadecadienoylcarnitine	82118.4	34077.71	169395.3	83013.8	25963.78	95373.94	83157.02	62025.22	53208.02	251700.3	197972.1	152070.2	188367.8	69919.55	37850.31	113178.6	60666.17	143941.5	12592.75	101299.9	136232.6	82336.52	215360.6	72222.79	217492	161334.3	231329	175065.4	148826.2	63894.58	224478	343623.4	209427.4	76728.02	164432	94716.53	95790.09	95493.02	80074.96	74319.49	50112.61	279317.3	180343.4	90008.93	45773.58	47395.48	106010.5	67138.35	117984.5	59218.45	14633.16	31670.27	39507.89	36199.38	42184.49	14154.23	28899.25	45220.8
Hydroxyhexadecanoyl carnitine	65208.49	134046.9	54818.75	33213.72	170173.6	95639.4	96652.51	49275.09	118790.5	182161.3	196466.7	182363	145865.5	96356.15	210788.7	225219.5	97106.51	215317.2	161082	126229	104142.1	201961.1	279263.3	170968.4	263880.7	266347.2	360569.6	355820.5	92581.29	115198	134921	133910.5	173845.4	67057.95	191327.7	192138.2	146512.2	237000.6	85409.16	126068.3	170116.1	143566.1	262814	229870.8	161488.1	169258.2	250071.7	227867.2	260203.5	88876.3	171367.5	131381.6	177634	198770.5	277075.2	148334.4	203137.9	271759.7
Acetylcarnitine	105159200	74538120	124635200	115090100	64504600	75846040	81557260	86690840	71317240	84866360	80388790	91102090	75662070	73001620	63031080	70746650	80100450	87848820	62652730	65192600	81925020	89104300	108306500	101265000	108514800	86547620	96847260	123994500	52925400	67224810	87429500	76433340	85875250	62412930	97664640	47702190	60478250	55940010	62562830	66703310	63415300	96617220	86984900	69475800	45286120	51715870	60509860	63791250	75886270	66538300	65327140	67944760	90751580	62353040	92299910	53036180	61429740	103425200
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	CmpdID	parent	medRt
L-alanine	C00041	90.055	0.6520
L-arginine	C00062	175.119	0.6259
L-asparagine	C00152	133.061	0.6530
L-aspartate	C00049	134.045	0.6522
L-cysteine	C00097	122.027	0.6709
L-glutamate	C00025	148.060	0.6521
L-glutamine	C00064	147.076	0.6587
glycine	C00037	76.039	0.6518
L-histidine	C00135	156.077	0.6031
L-leucine	C00123	132.102	0.6847
L-isoleucine	C00407	132.102	0.9923
L-lysine	C00047	147.113	0.6000
L-methionine	C00073	150.058	0.6833
L-phenylalanine	C00079	166.086	1.4749
L-proline	C00148	116.070	0.6750
L-serine	C00065	106.050	0.6489
L-threonine	C00188	120.065	0.6563
L-tryptophan	C00078	205.097	1.7265
L-tyrosine	C00082	182.081	0.6831
L-valine	C00183	118.086	0.6776
L-cystine	C00491	241.030	0.6525
AMP	C00020	348.070	0.6770
Adenosine	C00212	268.103	0.6803
Adenine	C00147	136.062	0.6836
Guanine	C00242	152.055	0.6821
CMP	C00055	324.058	0.6677
Cytidine	C00475	244.092	0.6714
Cytosine	C00380	112.050	0.6800
UDP	C00015	405.008	0.8222
Inosine	C00294	269.087	0.6830
Hypoxanthine	C00262	137.046	0.6830
Allantoate	C00499	177.061	0.6107
5-Hydroxyisourate	C11821	185.032	0.6465
Nicotinamide	C00153	123.055	0.6794
Nicotinic acid	C00253	124.040	0.5891
Glutathione	C00051	308.090	0.6828
Glutathione disulfide	C00127	613.158	0.6813
5-Oxoproline	C01879	130.050	0.6550
S-Glutathionyl-L-cysteine	C05526	427.094	0.6529
Cys-Gly	C01419	179.048	0.6805
gamma-L-Glutamyl-L-cysteine	C00669	251.069	0.6846
gamma-L-Glutamyl-D-alanine	C03738	219.097	0.6817
gamma-Glutamyl-gamma-aminobutyrate	C15767	233.113	0.6794
(5-L-Glutamyl)-L-glutamine	C05283	276.118	0.6634
Cystathionine	C00542	223.074	0.6540
Dimethylglycine	C01026	104.070	0.6624
Phosphoserine	C02532	186.016	0.6526
Ornithine	C01602	133.097	0.5983
L-Citrulline	C00327	176.103	0.6517
Argininosuccinate	C03406	291.129	0.6483
5-Methylthioadenosine	C00170	298.096	1.7159
Putrescine	C00134	89.107	0.5983
Spermidine	C00315	146.165	0.5933
N1-Acetylspermidine	C00612	188.176	0.6173
N-acetyl-D-glucosamine	C00140	222.097	0.6804
CMP-N-acetylneuraminate	C00128	615.153	0.6822
Asymmetric dimethyl arginine	C03626	203.150	0.6470
Carnosine	C00386	227.114	0.6051
Phosphocreatine	C02305	212.042	0.7197
Creatine	C00300	132.077	0.6648
Creatinine	C00791	114.066	0.6548
N-Acetyl-L-ornithine	C00437	175.108	0.6780
Guanidinoacetate	C00581	118.061	0.6516
trans-4-Hydroxy-L-proline	C01157	132.065	0.6524
Pantothenol	C00864	220.117	0.6947
Pantetheine	C00831	279.136	1.7432
Pantetheine 4--phosphate	C01134	359.103	1.7034
Hypotaurine	C00519	110.027	0.6546
L-Methionine S-oxide	C02989	166.053	0.6547
Indole	C00463	118.065	1.7334
Indole-3-acetate	C00954	176.073	1.7227
Indolepyruvate	C00331	204.063	0.8737
Kynurenine	C00328	209.092	1.4552
Kynurenic acid	C01717	190.050	1.9176
Anthranilate	C00108	138.055	0.6749
g-Oxalo-crotonate	C03453	159.028	0.6845
Dopamine	C03758	154.086	1.7686
Sphingosine	C00319	300.289	2.6935
Choline	C00114	104.107	0.6462
Acetylcholine	C01996	146.117	0.6627
L-Carnitine	C00318	162.112	0.6514
Propanoyl-carnitine	HMDB0062514	218.138	0.6840
Hydroxypropionylcarnitine	HMDB0013125	234.133	1.7459
Methylmalonylcarnitine	HMDB0013133	262.128	0.6811
Butyrylcarnitine	HMDB0002013	232.154	1.7224
Isovalerylcarnitine	HMDB0000688	246.169	1.7489
Hydroxyisovaleroyl carnitine	HMDB0062555	262.164	1.0895
Hexanoylcarnitine	HMDB0000705	260.185	1.7725
Octenoylcarnitine	HMDB0013324	286.200	1.8042
Octanoylcarnitine	HMDB0000791	288.216	1.8258
Hydroxyoctanoyl carnitine	HMDB0061634	304.211	1.7708
Hydroxynonanoyl carnitine	HMDB0061635	318.227	1.8059
Decanoylcarnitine	HMDB0000651	316.248	1.8888
Hydroxydecanoyl carnitine	HMDB0061636	332.242	1.8255
Dodecanoylcarnitine	HMDB0002250	344.279	1.9496
Hydroxydodecanoyl carnitine	HMDB0061638	360.274	1.8813
Hydroxytetradecanoyl carnitine	HMDB0061640	388.305	1.9442
Hexadecadienoylcarnitine	HMDB0013334	396.310	1.9875
Hydroxyhexadecanoyl carnitine	HMDB0061642	416.336	2.0058
Acetylcarnitine	HMDB0000201	204.123	0.6815
METABOLITES_END
#END