#METABOLOMICS WORKBENCH RCulpHill_20190813_075052 DATATRACK_ID:1798 STUDY_ID:ST001242 ANALYSIS_ID:AN002063 PROJECT_ID:PR000831
VERSION             	1
CREATED_ON             	August 19, 2019, 8:23 pm
#PROJECT
PR:PROJECT_TITLE                 	Trisomy 21 activates the kynurenine pathway via increased dosage of interferon
PR:PROJECT_TITLE                 	receptors
PR:PROJECT_SUMMARY               	Trisomy 21 (T21) causes Down syndrome (DS), affecting immune and neurological
PR:PROJECT_SUMMARY               	function by unknown mechanisms. We report here a large metabolomics study of
PR:PROJECT_SUMMARY               	plasma and cerebrospinal fluid showing that people with DS produce elevated
PR:PROJECT_SUMMARY               	levels of kynurenine and quinolinic acid, two tryptophan catabolites with potent
PR:PROJECT_SUMMARY               	immunosuppressive and neurotoxic properties, respectively. We demonstrate that
PR:PROJECT_SUMMARY               	immune cells of people with DS overexpress IDO1, the rate-limiting enzyme in the
PR:PROJECT_SUMMARY               	kynurenine pathway (KP) and a known interferon (IFN)-stimulated gene.
PR:PROJECT_SUMMARY               	Furthermore, we show positive correlations among levels of IFN-inducible
PR:PROJECT_SUMMARY               	cytokines and KP dysregulation. Using metabolic tracing assays, we determine
PR:PROJECT_SUMMARY               	that IFN stimulation causes IDO1 overexpression and kynurenine overproduction in
PR:PROJECT_SUMMARY               	cells with T21, dependent on overexpression of IFN receptors encoded on
PR:PROJECT_SUMMARY               	chromosome 21. Finally, we show a mouse model of DS carrying triplication of the
PR:PROJECT_SUMMARY               	IFN receptors exhibits KP dysregulation. Altogether, these results reveal a
PR:PROJECT_SUMMARY               	mechanism by which T21 could drive immunosuppression and neurotoxicity in DS.
PR:INSTITUTE                     	University of Colorado Denver
PR:LAST_NAME                     	Culp-Hill
PR:FIRST_NAME                    	Rachel
PR:ADDRESS                       	12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA
PR:EMAIL                         	rachel.hill@cuanschutz.edu
PR:PHONE                         	303-724-5798
#STUDY
ST:STUDY_TITLE                   	Global Metabolic Analysis Trisomy 21 - Cohort 3, CSF
ST:STUDY_SUMMARY                 	global metabolic analysis of CSF from individuals with and without trisomy 21.
ST:INSTITUTE                     	University of Colorado Denver
ST:LAST_NAME                     	Culp-Hill
ST:FIRST_NAME                    	Rachel
ST:ADDRESS                       	12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA
ST:EMAIL                         	rachel.hill@cuanschutz.edu
ST:PHONE                         	303-724-5798
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	0.5 - 76.5
SU:GENDER                        	Male and female
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_51-L15-181	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_52-L15-195	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_53-L16-009	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_54-L16-033	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_55-L16-048	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_56-L16-056	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_57-L16-086	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_58-L16-087	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_59-L16-107	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_60-L16-145	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_61-L16-146	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_62-L16-153	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_63-L16-202	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_64-L16-208	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_65-L17-032	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_66-L17-090	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_67-L17-125	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_68-L17-131	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_69-L17-170	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_70-L17-207	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_71-L17-210	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_72-L17-235	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_73-L17-246	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_74-L17-274	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_75-L17-276	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_76-L17-292	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_77-L18-020	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_78-L18-021	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_79-L18-028	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_80-L18-044	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_81-L18-098	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_82-L18-130	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_83-L18-162	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_84-L18-170	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_85-L18-197	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_86-L18-205	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_87-L18-238	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_88-L18-302	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_89-L18-303	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_90-L18-314	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_91-L18-342	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_92-L19-006	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_93-L19-007	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_94-L19-014	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_95-L19-015	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_96-L19-016	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_97-L19-032	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_98-L19-065	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_99-L19-080	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_D21_100-L19-114	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_1-L15-158	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_2-L15-171	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_3-L15-188	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_4-L15-189	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_5-L16-010	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_6-L16-026	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_7-L16-038	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_8-L16-057	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_9-L16-058	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_10-L16-065	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_11-L16-076	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_12-L16-077	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_13-L16-116	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_14-L16-127	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_15-L16-128	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_16-L16-234	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_17-L16-241	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_18-L17-074	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_19-L17-095	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_20-L17-132	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_21-L17-145	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_22-L17-153	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_23-L17-160	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_24-L17-191	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_25-L17-192	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_26-L17-194	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_27-L17-201	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_28-L17-211	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_29-L17-226	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_30-L17-236	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_31-L17-245	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_32-L17-291	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_33-L17-293	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_34-L17-300	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_35-L18-007	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_36-L18-022	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_37-L18-029	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_38-L18-030	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_39-L18-042	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_40-L18-051	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_41-L18-059	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_42-L18-061	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_43-L18-062	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_44-L18-087	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_45-L18-100	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_46-L18-113	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_47-L18-133	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_48-L18-152	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_49-L18-171	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5pos_T21_50-L18-275	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_51-L15-181	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_52-L15-195	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_53-L16-009	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_54-L16-033	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_55-L16-048	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_56-L16-056	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_57-L16-086	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_58-L16-087	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_59-L16-107	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_60-L16-145	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_61-L16-146	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_62-L16-153	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_63-L16-202	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_64-L16-208	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_65-L17-032	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_66-L17-090	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_67-L17-125	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_68-L17-131	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_69-L17-170	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_70-L17-207	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_71-L17-210	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_72-L17-235	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_73-L17-246	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_74-L17-274	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_75-L17-276	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_76-L17-292	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_77-L18-020	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_78-L18-021	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_79-L18-028	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_80-L18-044	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_81-L18-098	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_82-L18-130	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_83-L18-162	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_84-L18-170	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_85-L18-197	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_86-L18-205	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_87-L18-238	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_88-L18-302	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_89-L18-303	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_90-L18-314	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_91-L18-342	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_92-L19-006	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_93-L19-007	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_94-L19-014	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_95-L19-015	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_96-L19-016	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_97-L19-032	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_98-L19-065	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_99-L19-080	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_D21_100-L19-114	Cohort:D21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_1-L15-158	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_2-L15-171	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_3-L15-188	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_4-L15-189	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_5-L16-010	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_6-L16-026	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_7-L16-038	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_8-L16-057	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_9-L16-058	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_10-L16-065	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_11-L16-076	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_12-L16-077	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_13-L16-116	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_14-L16-127	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_15-L16-128	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_16-L16-234	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_17-L16-241	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_18-L17-074	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_19-L17-095	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_20-L17-132	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_21-L17-145	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_22-L17-153	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_23-L17-160	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_24-L17-191	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_25-L17-192	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_26-L17-194	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_27-L17-201	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_28-L17-211	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_29-L17-226	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_30-L17-236	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_31-L17-245	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_32-L17-291	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_33-L17-293	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_34-L17-300	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_35-L18-007	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_36-L18-022	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_37-L18-029	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_38-L18-030	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_39-L18-042	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_40-L18-051	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_41-L18-059	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_42-L18-061	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_43-L18-062	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_44-L18-087	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_45-L18-100	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_46-L18-113	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_47-L18-133	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_48-L18-152	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_49-L18-171	Cohort:T21	
SUBJECT_SAMPLE_FACTORS           	-	SPIN_5neg_T21_50-L18-275	Cohort:T21	
#COLLECTION
CO:COLLECTION_SUMMARY            	All human subjects in this study were consented according to Colorado Multiple
CO:COLLECTION_SUMMARY            	Institutional Review Board (COMIRB)-approved protocols. Written informed consent
CO:COLLECTION_SUMMARY            	was obtained from parents or guardians of participants under the age of 18, and
CO:COLLECTION_SUMMARY            	assent was obtained from participants over the age of 7 who were cognitively
CO:COLLECTION_SUMMARY            	able to assent. Deidentified plasma samples for Cohort 1 were obtained from the
CO:COLLECTION_SUMMARY            	Translational Nexus Clinical Data Registry and Biobank (University of Colorado
CO:COLLECTION_SUMMARY            	Anschutz Medical Campus, COMIRB 08-1276). Additional plasma and WBC samples were
CO:COLLECTION_SUMMARY            	obtained through the Crnic’s Institute Human Trisome Project (University of
CO:COLLECTION_SUMMARY            	Colorado Anschutz Medical Campus, COMIRB 15-2170, www.trisome.org). Plasma was
CO:COLLECTION_SUMMARY            	collected in Vacutainer tubes (EDTA–purple capped or Lithium heparin–light
CO:COLLECTION_SUMMARY            	green capped) and stored at -80°C. Participant medical history was collected by
CO:COLLECTION_SUMMARY            	the respective biobanks.
CO:SAMPLE_TYPE                   	Cerebrospinal fluid
#TREATMENT
TR:TREATMENT_SUMMARY             	N/A
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For CSF analyses, a volume of 20μL of was extracted in 180μL of ice-cold
SP:SAMPLEPREP_SUMMARY            	methanol:acetonitrile:water (5:3:2). Subsequently, these solutions were vortexed
SP:SAMPLEPREP_SUMMARY            	for 30 minutes at 4°C. Insoluble proteins were pelleted by centrifugation (10
SP:SAMPLEPREP_SUMMARY            	minutes at 4°C and 12,000 g) and supernatants were collected and stored at
SP:SAMPLEPREP_SUMMARY            	-80°C until analysis. For quantitative analysis of kynurenine pathway (KP)
SP:SAMPLEPREP_SUMMARY            	metabolites, supernatants were spun in a Speedvac until dry and resuspended in
SP:SAMPLEPREP_SUMMARY            	0.1% formic acid in water as previously described (PMID: 30213797, 30143553).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	UHPLC-MS metabolomics analyses were performed using a Vanquish UHPLC system
CH:CHROMATOGRAPHY_SUMMARY        	coupled online to a Q Exactive mass spectrometer (Thermo Fisher, Bremen,
CH:CHROMATOGRAPHY_SUMMARY        	Germany). 20uL of supernatant was injected for plasma and CSF samples, and 10uL
CH:CHROMATOGRAPHY_SUMMARY        	of supernatant was injected for cell samples. Samples were resolved over a
CH:CHROMATOGRAPHY_SUMMARY        	Kinetex C18 column (2.1x150 mm, 1.7μm; Phenomenex, Torrance, CA, USA) at 45°C
CH:CHROMATOGRAPHY_SUMMARY        	using a 5-minute gradient at 450μL/minute from 5-95% B (A: water/0.1% formic
CH:CHROMATOGRAPHY_SUMMARY        	acid; B: acetonitrile/0.1% formic acid) for positive mode. To monitor possible
CH:CHROMATOGRAPHY_SUMMARY        	technical variability, aliquots of each of the individual samples were combined
CH:CHROMATOGRAPHY_SUMMARY        	to make technical replicates, which were run after every 15 samples.
CH:CHROMATOGRAPHY_SUMMARY        	Additionally, in each experiment, several lysis solution aliquots were run as
CH:CHROMATOGRAPHY_SUMMARY        	blanks for artifact identification.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um)
CH:FLOW_GRADIENT                 	5-95% B
CH:FLOW_RATE                     	450uL/min
CH:COLUMN_TEMPERATURE            	45
CH:METHODS_FILENAME              	5MMpos_method.pdf
CH:SOLVENT_A                     	water, 0.1% formic acid
CH:SOLVENT_B                     	acetonitrile, 0.1% formic acid
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	D'Alessandro Lab
AN:OPERATOR_NAME                 	Rachel Culp-Hill
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The Q Exactive mass spectrometer (Thermo Fisher Scientific, San Jose, CA, USA)
MS:MS_COMMENTS                   	was operated in positive ion mode using electrospray ionization, scanning in
MS:MS_COMMENTS                   	Full MS mode (1μscan) from 65 to 975 m/z at 70,000 resolution, with 4 kV spray
MS:MS_COMMENTS                   	voltage, 45 sheath gas, 15 auxiliary gas. MS analysis and data elaboration were
MS:MS_COMMENTS                   	performed as described74,75. Calibration was performed prior to analysis using
MS:MS_COMMENTS                   	the PierceTM Positive Ion Calibration Solution (Thermo Fisher Scientific).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	relative abundance
MS_METABOLITE_DATA_START
Samples	SPIN_5pos_T21_1-L15-158	SPIN_5pos_T21_2-L15-171	SPIN_5pos_T21_3-L15-188	SPIN_5pos_T21_4-L15-189	SPIN_5pos_T21_5-L16-010	SPIN_5pos_T21_6-L16-026	SPIN_5pos_T21_7-L16-038	SPIN_5pos_T21_8-L16-057	SPIN_5pos_T21_9-L16-058	SPIN_5pos_T21_10-L16-065	SPIN_5pos_T21_11-L16-076	SPIN_5pos_T21_12-L16-077	SPIN_5pos_T21_13-L16-116	SPIN_5pos_T21_14-L16-127	SPIN_5pos_T21_15-L16-128	SPIN_5pos_T21_16-L16-234	SPIN_5pos_T21_17-L16-241	SPIN_5pos_T21_18-L17-074	SPIN_5pos_T21_19-L17-095	SPIN_5pos_T21_20-L17-132	SPIN_5pos_T21_21-L17-145	SPIN_5pos_T21_22-L17-153	SPIN_5pos_T21_23-L17-160	SPIN_5pos_T21_24-L17-191	SPIN_5pos_T21_25-L17-192	SPIN_5pos_T21_26-L17-194	SPIN_5pos_T21_27-L17-201	SPIN_5pos_T21_28-L17-211	SPIN_5pos_T21_29-L17-226	SPIN_5pos_T21_30-L17-236	SPIN_5pos_T21_31-L17-245	SPIN_5pos_T21_32-L17-291	SPIN_5pos_T21_33-L17-293	SPIN_5pos_T21_34-L17-300	SPIN_5pos_T21_35-L18-007	SPIN_5pos_T21_36-L18-022	SPIN_5pos_T21_37-L18-029	SPIN_5pos_T21_38-L18-030	SPIN_5pos_T21_39-L18-042	SPIN_5pos_T21_40-L18-051	SPIN_5pos_T21_41-L18-059	SPIN_5pos_T21_42-L18-061	SPIN_5pos_T21_43-L18-062	SPIN_5pos_T21_44-L18-087	SPIN_5pos_T21_45-L18-100	SPIN_5pos_T21_46-L18-113	SPIN_5pos_T21_47-L18-133	SPIN_5pos_T21_48-L18-152	SPIN_5pos_T21_49-L18-171	SPIN_5pos_T21_50-L18-275	SPIN_5pos_D21_51-L15-181	SPIN_5pos_D21_52-L15-195	SPIN_5pos_D21_53-L16-009	SPIN_5pos_D21_54-L16-033	SPIN_5pos_D21_55-L16-048	SPIN_5pos_D21_56-L16-056	SPIN_5pos_D21_57-L16-086	SPIN_5pos_D21_58-L16-087	SPIN_5pos_D21_59-L16-107	SPIN_5pos_D21_60-L16-145	SPIN_5pos_D21_61-L16-146	SPIN_5pos_D21_62-L16-153	SPIN_5pos_D21_63-L16-202	SPIN_5pos_D21_64-L16-208	SPIN_5pos_D21_65-L17-032	SPIN_5pos_D21_66-L17-090	SPIN_5pos_D21_67-L17-125	SPIN_5pos_D21_68-L17-131	SPIN_5pos_D21_69-L17-170	SPIN_5pos_D21_70-L17-207	SPIN_5pos_D21_71-L17-210	SPIN_5pos_D21_72-L17-235	SPIN_5pos_D21_73-L17-246	SPIN_5pos_D21_74-L17-274	SPIN_5pos_D21_75-L17-276	SPIN_5pos_D21_76-L17-292	SPIN_5pos_D21_77-L18-020	SPIN_5pos_D21_78-L18-021	SPIN_5pos_D21_79-L18-028	SPIN_5pos_D21_80-L18-044	SPIN_5pos_D21_81-L18-098	SPIN_5pos_D21_82-L18-130	SPIN_5pos_D21_83-L18-162	SPIN_5pos_D21_84-L18-170	SPIN_5pos_D21_85-L18-197	SPIN_5pos_D21_86-L18-205	SPIN_5pos_D21_87-L18-238	SPIN_5pos_D21_88-L18-302	SPIN_5pos_D21_89-L18-303	SPIN_5pos_D21_90-L18-314	SPIN_5pos_D21_91-L18-342	SPIN_5pos_D21_92-L19-006	SPIN_5pos_D21_93-L19-007	SPIN_5pos_D21_94-L19-014	SPIN_5pos_D21_95-L19-015	SPIN_5pos_D21_96-L19-016	SPIN_5pos_D21_97-L19-032	SPIN_5pos_D21_98-L19-065	SPIN_5pos_D21_99-L19-080	SPIN_5pos_D21_100-L19-114
Factors	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:T21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21	Cohort:D21
L-alanine	1751504.00	1179981.00	2127683.00	1094451.00	1490056.00	2009126.00	1392124.00	1281653.00	1557715.00	1971110.00	1529688.00	1754870.00	1657256.00	1668104.00	1213043.00	1639178.00	3439447.00	1533981.00	1299444.00	1593206.00	2063658.00	1166730.00	2170470.00	1906100.00	1576106.00	2855705.00	1564271.00	2357084.00	1647470.00	1540676.00	1502502.00	1511624.00	2202874.00	3097189.00	1494486.00	2016463.00	2103053.00	1630824.00	1654970.00	1406034.00	3046457.00	1578926.00	2235804.00	1673059.00	1791373.00	1595378.00	2146046.00	2100029.00	1346064.00	1963338.00	1449036.00	1954519.00	2270189.00	1419309.00	2014594.00	2864154.00	1994932.00	1718212.00	2158060.00	1740706.00	985137.20	994902.60	2731121.00	1578313.00	2241865.00	1788052.00	1651830.00	2230146.00	1984192.00	2405993.00	1793402.00	1026220.00	2245258.00	1454983.00	1660367.00	2030241.00	1412439.00	1853125.00	2108823.00	1085536.00	2617913.00	2691309.00	2655690.00	1912046.00	1707392.00	2131751.00	1561841.00	1732972.00	1991134.00	2350711.00	1308824.00	1302358.00	1842821.00	1345629.00	2118028.00	1489986.00	1426434.00	2238671.00	1895837.00	2011976.00
L-arginine	950543.80	1236904.00	1175697.00	1429068.00	1684717.00	1313183.00	1026911.00	1215960.00	1642347.00	1839506.00	1563145.00	1660539.00	810878.00	1631363.00	1180495.00	1361321.00	1923179.00	1317894.00	1240885.00	1206767.00	1685205.00	976159.30	2164152.00	1728552.00	1143808.00	1438328.00	1016629.00	1147144.00	1712179.00	940231.70	1776687.00	1091668.00	1301036.00	1389945.00	1749928.00	1462730.00	1108947.00	1841616.00	1559376.00	1376232.00	2078750.00	1516249.00	1166513.00	1108957.00	1176633.00	992532.10	1489902.00	1891354.00	1446628.00	1522635.00	1498285.00	1162358.00	1579371.00	1541641.00	1637097.00	1686975.00	1264494.00	1251618.00	2493358.00	1795068.00	1273879.00	1379355.00	1691602.00	1317896.00	1171180.00	1174781.00	1317388.00	2016237.00	1860331.00	1620850.00	931900.60	1112308.00	1981333.00	1368980.00	1485301.00	1742756.00	1894801.00	2037575.00	1201410.00	1263831.00	1833120.00	1069842.00	1768250.00	1065459.00	1226014.00	1448693.00	1734314.00	1855500.00	1546484.00	861537.80	1292844.00	1653351.00	1562481.00	1501250.00	1428229.00	1485777.00	1441997.00	1337478.00	1352777.00	1536848.00
L-asparagine	75146.13	79075.54	84312.49	92369.07	98019.25	67118.25	86827.80	51238.09	94279.38	74311.45	64221.08	81662.45	76848.59	75998.08	63737.79	78387.98	132740.90	89543.90	51214.92	66850.04	85748.82	28209.89	72742.51	110137.20	39722.69	68019.62	78713.41	76062.65	74652.84	107273.00	47419.58	66844.21	81325.09	118544.90	34070.08	87591.21	76878.76	69019.23	71633.88	52144.22	128775.20	74944.49	62578.50	83186.04	60423.38	61701.18	80506.65	65356.54	70987.19	57610.61	98750.27	77989.32	104848.80	78817.37	63592.70	122035.80	69316.20	87960.16	73226.98	80138.30	44827.81	157034.10	88297.77	77997.46	111018.60	111388.20	113578.20	109581.80	57411.36	55186.77	73317.70	50003.06	86735.65	70027.24	91215.19	68296.55	129433.20	101491.40	71465.93	59073.57	85471.16	69442.70	114698.80	94657.19	110330.60	71654.54	111594.10	99107.15	77063.65	93616.81	49961.46	91344.21	54262.66	79681.90	61752.03	48236.81	109486.70	65804.07	58071.18	116210.30
L-glutamate	446281.50	350255.70	302216.50	493043.60	846580.90	258945.60	484663.00	375418.20	344894.90	146256.40	298958.80	274376.30	341390.60	377301.80	265669.40	452871.50	298513.90	292764.80	648185.70	374577.20	706890.30	348573.50	322165.20	498525.90	424012.00	319142.40	379157.30	451058.50	227102.90	566348.70	342200.50	333843.10	365930.00	320534.70	376958.70	474366.80	346562.60	418969.00	234588.80	507654.90	306869.10	304661.90	567043.90	301465.90	319520.80	357273.70	356613.00	350194.60	332438.80	287042.80	434660.90	387395.00	651973.10	525657.80	413838.70	460523.20	588904.30	488385.70	305354.80	408873.10	751777.70	671531.10	491986.30	456267.80	496584.10	644871.10	358012.60	478534.90	461789.50	387202.10	467566.50	613677.40	572259.60	585096.80	324518.80	212665.80	541845.40	602169.60	498615.50	808817.50	509762.60	411693.60	387633.80	428339.80	460310.80	408228.40	445214.50	557128.20	516287.80	454625.60	517920.50	464786.50	425732.50	659759.30	371631.30	571433.20	592656.80	373108.70	480743.80	748218.80
L-glutamine	20894670.00	15147850.00	21831430.00	16275650.00	17965230.00	21041470.00	20172690.00	14801550.00	18558430.00	19984630.00	20488330.00	21402830.00	15296180.00	13337490.00	20821490.00	19849230.00	21956370.00	16760730.00	14360640.00	15543500.00	21277710.00	15368890.00	20780970.00	14597080.00	16291290.00	20970730.00	18991170.00	19488180.00	16695240.00	20408190.00	15931220.00	14934630.00	16145290.00	24460600.00	15017450.00	22108180.00	18808320.00	15003740.00	22856760.00	15752360.00	24875840.00	20122280.00	22262810.00	14946060.00	19130770.00	17719030.00	22275080.00	18148500.00	24930770.00	16002040.00	16598880.00	23763460.00	22186130.00	20245190.00	18034090.00	23923750.00	17644020.00	17958300.00	16587000.00	18230170.00	19224320.00	15643880.00	21586770.00	15612860.00	18095870.00	18453740.00	14627450.00	22863970.00	18283130.00	18366340.00	15028490.00	14289510.00	20064390.00	16867330.00	14858510.00	17441650.00	14672350.00	17820390.00	18224610.00	15561930.00	18802430.00	17906880.00	16590830.00	22078070.00	22896920.00	17986100.00	14209640.00	17937970.00	20429480.00	17405110.00	16937880.00	17188650.00	17635190.00	19774270.00	15789630.00	17891580.00	13842290.00	18679180.00	23654400.00	14942930.00
L-histidine	536091.30	444781.20	639062.90	433504.30	501659.80	639414.70	647040.60	466070.40	544871.20	506555.00	598206.90	593686.30	451438.50	427237.00	602168.20	589288.10	654989.10	477044.50	518299.80	488609.00	655513.20	465078.60	748241.70	579017.80	546868.80	555949.30	663982.30	752069.80	633462.50	563503.80	538727.30	514226.70	479249.80	512888.90	524508.30	665197.80	616849.60	560306.10	614100.20	327728.70	780523.20	689963.40	522472.10	515769.50	500596.80	518736.00	564286.50	677153.90	729345.70	556570.20	380033.90	495374.50	576975.30	532771.50	605319.60	650175.80	423399.70	543062.60	539713.40	571920.00	557142.10	565062.30	579231.50	449250.80	388686.10	527184.60	503677.70	735182.60	476795.00	427468.20	449277.60	411024.80	621617.40	536381.40	313359.30	437632.00	703813.10	662642.10	550863.20	519635.10	651253.00	504362.70	516190.00	483022.70	645283.20	489905.40	567837.30	918160.00	550443.10	572552.40	579324.60	493248.40	365516.50	469611.40	546423.90	436481.80	515275.70	405033.90	617231.70	618417.20
L-leucine	11054650.00	9105933.00	12778640.00	10123340.00	10329450.00	9798280.00	10319890.00	5801418.00	8931183.00	9415100.00	11010060.00	9500012.00	12324700.00	12074140.00	7971376.00	9506525.00	16931500.00	9736320.00	7552486.00	15062180.00	11816260.00	9086261.00	15629400.00	18321500.00	11114240.00	15132010.00	7429056.00	14132400.00	12050860.00	9931007.00	10139390.00	10790260.00	11327940.00	15722330.00	10463080.00	15571280.00	11225260.00	10334630.00	12823680.00	7870916.00	19396960.00	10627770.00	11704340.00	12670800.00	11466380.00	8815909.00	11082880.00	12623960.00	9712553.00	15218460.00	7900932.00	10691750.00	18176090.00	9585507.00	15710700.00	11006370.00	17537090.00	11698600.00	13357630.00	7983492.00	6892902.00	8561263.00	19912380.00	8669335.00	17631060.00	12344620.00	10248230.00	13279860.00	13469190.00	14370700.00	12465140.00	6736344.00	14756050.00	12530300.00	14882390.00	22014210.00	10611750.00	8752963.00	12861850.00	11825960.00	16464780.00	14006520.00	15398080.00	14329690.00	12075390.00	10611980.00	11302340.00	15134190.00	15917870.00	11628140.00	8805691.00	10133720.00	8907234.00	10069900.00	15722430.00	9166203.00	9979649.00	13325960.00	11490990.00	13202220.00
L-lysine	2316905.00	2173163.00	2529682.00	2705681.00	2220046.00	1613556.00	2663497.00	1498877.00	2772816.00	2673018.00	2731024.00	2226848.00	2446285.00	1685885.00	1727735.00	2906765.00	3911501.00	2359752.00	2300093.00	2666359.00	3478344.00	2644703.00	3168684.00	3414365.00	2591588.00	3496668.00	2235834.00	3391765.00	3711297.00	2208476.00	2087486.00	3775531.00	2704104.00	2358840.00	2234794.00	4516868.00	3278680.00	3250479.00	3804373.00	2428106.00	4992979.00	3383629.00	2454134.00	3352810.00	3626278.00	2432326.00	2751078.00	2932275.00	1982995.00	3887951.00	1477691.00	1554779.00	2932682.00	2798121.00	3511942.00	2313607.00	1982596.00	1657611.00	2148337.00	1735675.00	1877803.00	1393661.00	2967835.00	2274479.00	3251789.00	2919368.00	1876576.00	2489279.00	1775462.00	2494175.00	3005339.00	1762928.00	2969326.00	1930175.00	2672064.00	1922686.00	1475341.00	3000907.00	2634110.00	2640877.00	2372193.00	2349248.00	2961859.00	3243213.00	3329800.00	2376668.00	2618536.00	3305071.00	2265090.00	2346366.00	1875096.00	2825267.00	1683694.00	2421836.00	2463339.00	1856197.00	2196482.00	2669329.00	2098843.00	3339566.00
L-methionine	1297386.00	993738.30	1906644.00	1248708.00	1672365.00	1357603.00	1328002.00	941612.60	1502486.00	976440.00	1795241.00	1299742.00	913495.30	1160284.00	1070816.00	1387608.00	2574578.00	1369205.00	1122284.00	1779204.00	1603875.00	947706.30	1826120.00	2150418.00	1386919.00	2050390.00	1278562.00	2374709.00	1206984.00	1756554.00	1266999.00	1105713.00	1633382.00	2112635.00	1574102.00	1973475.00	1384628.00	1472082.00	1357160.00	1089181.00	1752332.00	1353556.00	1651354.00	1302338.00	1327208.00	1223258.00	1371972.00	1847923.00	1610584.00	1355633.00	1128347.00	1290127.00	1771556.00	1040919.00	1730016.00	1789299.00	1451470.00	968359.70	1369155.00	1329894.00	967284.20	1012000.00	1975004.00	1118150.00	1697206.00	1662003.00	1307880.00	1945711.00	1437640.00	1251892.00	1303490.00	783281.60	1505832.00	1345634.00	1014735.00	1775038.00	1310222.00	2440438.00	1279621.00	1389112.00	1476234.00	960810.50	1659506.00	1226057.00	1572513.00	1543420.00	993077.20	2201381.00	1575970.00	1045503.00	951091.70	1386066.00	1149244.00	955664.80	1354468.00	767942.70	1233631.00	1393366.00	1181230.00	1253256.00
L-phenylalanine	2303049.00	2216780.00	3011195.00	2639340.00	2328291.00	2909945.00	2159003.00	2143593.00	2428262.00	2325093.00	3711540.00	2731377.00	2202604.00	1898715.00	3318852.00	1930488.00	3393659.00	3053097.00	1949484.00	2405997.00	1821857.00	1893736.00	3287243.00	3102928.00	3170134.00	3109421.00	2460982.00	2826963.00	2850789.00	3091537.00	2372440.00	2293828.00	3453329.00	3678617.00	2688031.00	3160974.00	2945011.00	1643884.00	2656211.00	1644991.00	2597688.00	2453761.00	2252055.00	2262469.00	2712514.00	2249660.00	3188957.00	3654756.00	2614788.00	2660516.00	2208585.00	2592206.00	3253931.00	2703817.00	1903270.00	2860538.00	2662730.00	2614220.00	2623268.00	1967832.00	2388998.00	1848366.00	3175775.00	2011852.00	2507750.00	2454016.00	2705387.00	2667615.00	2715967.00	2755251.00	2272234.00	1956424.00	2490290.00	2423854.00	1686801.00	3484191.00	3223455.00	3043139.00	2724494.00	2542212.00	3441268.00	2343206.00	2719899.00	2482194.00	2913590.00	2520094.00	2452176.00	3750188.00	3896544.00	2124712.00	2136448.00	1938914.00	2555757.00	1735447.00	2262398.00	1603696.00	2171706.00	2492709.00	2382694.00	3101656.00
L-proline	853982.40	552094.50	787344.20	1154772.00	593957.40	822079.70	651664.20	622667.50	752254.60	776093.70	764985.90	762743.10	526141.10	995384.50	978114.90	563863.60	1425434.00	567394.00	626108.20	1267777.00	1129464.00	926756.30	798804.80	928031.00	657499.80	709254.90	579316.00	1427049.00	759296.80	727657.60	809460.30	839437.30	1082132.00	1000212.00	754826.80	1311918.00	579045.90	609213.30	442506.20	535535.20	946754.00	822140.80	805499.30	612637.80	840777.00	860006.90	1015092.00	867978.00	827364.70	1101819.00	553555.90	698519.80	939091.50	492165.80	660856.00	653633.80	709572.80	699311.90	579084.00	561978.90	617670.40	649072.70	1163929.00	823793.00	566625.30	612327.10	844944.00	743897.20	978777.20	714303.50	800102.70	564956.70	913741.50	910917.80	625858.00	1270404.00	881295.10	548461.90	849696.80	1081440.00	896535.40	1097917.00	1093359.00	477963.20	603094.30	496513.50	919639.50	762324.60	816302.00	767367.60	1014496.00	550543.90	782875.10	652378.20	521422.60	546724.30	615820.40	708510.80	733603.20	729600.40
L-serine	245934.20	178759.00	203120.50	164168.90	194287.70	187850.90	204474.40	142573.30	153512.70	219334.60	131368.20	191875.20	119527.90	133829.80	129288.80	182763.10	236515.30	147793.20	168808.90	143782.70	157033.00	141488.70	197341.90	165170.60	110341.60	248256.50	141943.40	227661.90	139535.10	150505.10	150493.20	119393.50	161053.20	287573.00	141178.00	191444.40	170025.10	158560.70	157699.50	147573.70	178500.10	167102.50	192268.30	129595.50	192697.30	170204.50	154248.20	185631.10	143348.40	166798.60	154354.60	211843.40	117507.80	135189.00	198801.90	183768.40	120692.50	170423.70	104575.80	149578.00	208005.00	137921.10	227806.00	138507.60	148816.30	169642.60	154049.60	191903.20	199775.30	202466.30	159679.20	154042.80	189637.20	131557.30	174438.80	165197.40	145090.50	183564.60	116450.30	143040.20	133857.10	140863.60	136515.40	169833.90	156275.60	155632.20	103148.60	136087.90	173430.00	165429.10	150482.70	160790.10	156966.50	150992.50	133945.50	158990.30	168743.80	162521.80	189881.20	162751.20
L-threonine	1096201.00	939679.20	1331114.00	825629.70	1095042.00	933367.50	982754.20	851855.50	1100798.00	1463076.00	1218010.00	1860644.00	604075.20	963141.30	647667.70	1263738.00	2296974.00	793401.70	814205.80	1137210.00	1438090.00	791216.20	1682264.00	1012730.00	1277469.00	1697180.00	1157465.00	1832967.00	1525136.00	1096970.00	949285.00	846200.00	1211081.00	1794455.00	1179768.00	1087284.00	950610.80	1160041.00	1321793.00	668849.50	1776059.00	1133988.00	1514887.00	899504.20	1620533.00	1010749.00	1303998.00	1254088.00	1362188.00	1275117.00	1105746.00	1475982.00	1573829.00	1172396.00	1665655.00	1763560.00	975059.40	961483.30	1092670.00	1367390.00	1258717.00	810399.70	1944611.00	1030796.00	1933171.00	1423716.00	853335.60	2007879.00	1669590.00	1067696.00	1086646.00	805718.50	1482716.00	1111965.00	954419.30	1733824.00	731389.20	1277452.00	1147478.00	885948.50	1296015.00	1381405.00	1335403.00	1114545.00	1724869.00	1476981.00	880396.70	1248976.00	1515299.00	1112080.00	1377426.00	1245718.00	1432852.00	804486.90	2442467.00	1192972.00	962137.70	1232697.00	896596.10	1097709.00
L-tryptophan	4885535.00	7084628.00	5694200.00	6860068.00	8071552.00	5698540.00	6638288.00	4790502.00	5293218.00	5557784.00	8384632.00	4525224.00	5984282.00	4505948.00	8670649.00	6134974.00	8875431.00	9210879.00	5123302.00	6547320.00	8695413.00	6017646.00	10149360.00	10262400.00	11594730.00	10835650.00	7966452.00	11431120.00	6783738.00	6310682.00	7412838.00	4690094.00	9559679.00	7941040.00	6135084.00	8997657.00	5850494.00	8417112.00	6510816.00	6153226.00	8371348.00	5594470.00	7924884.00	9893032.00	8273842.00	8307942.00	6319910.00	8271198.00	6050396.00	9942211.00	6355476.00	4815776.00	7969720.00	5403242.00	7574426.00	8478665.00	4826700.00	4311290.00	5816314.00	5137596.00	7681536.00	4780282.00	8582424.00	4172585.00	8473771.00	8159676.00	5310120.00	13777460.00	5199254.00	5302262.00	6015166.00	4397938.00	9041106.00	6609498.00	7159948.00	9250239.00	5920066.00	7331748.00	8226986.00	7344356.00	6453792.00	4514246.00	7594584.00	6919242.00	6655510.00	6495854.00	4925048.00	9123264.00	5380970.00	6963212.00	6375878.00	5928940.00	4957397.00	4556014.00	8244710.00	5568662.00	5969966.00	6188182.00	5192856.00	7014352.00
L-tyrosine	2476184.00	1896395.00	3310657.00	2328173.00	1909149.00	1779978.00	2310349.00	2266158.00	2477046.00	1513436.00	2654218.00	1882974.00	1806762.00	1662549.00	2379078.00	2231355.00	3924515.00	2863151.00	1735546.00	2657555.00	1947829.00	1926366.00	2978403.00	2713425.00	2796064.00	3042124.00	2119023.00	2727154.00	1818494.00	2993168.00	1562101.00	1626445.00	2993689.00	3288685.00	2250662.00	3667186.00	2437427.00	1850831.00	1773476.00	1477516.00	1987734.00	2390148.00	2618645.00	2339093.00	2412375.00	2357741.00	2514951.00	3128073.00	1937497.00	3409148.00	1712938.00	2497098.00	3120033.00	1826564.00	2289485.00	2816561.00	1919906.00	1768776.00	2294775.00	1995912.00	2192168.00	1529565.00	2925528.00	1930500.00	2507617.00	3152576.00	2339857.00	2051776.00	3560884.00	3891228.00	2411578.00	1998111.00	1910880.00	1946164.00	1911166.00	4702348.00	2829307.00	3708918.00	2838372.00	3422689.00	2147247.00	1677163.00	2541929.00	2422737.00	2030239.00	2320407.00	1971496.00	3094537.00	3541219.00	2340954.00	1144396.00	1713712.00	2282728.00	2215641.00	2193066.00	2005840.00	2013037.00	3968536.00	1895879.00	2427407.00
L-valine	15515780.00	9881193.00	16629790.00	23996910.00	10552890.00	9706283.00	12526730.00	8091046.00	11116020.00	14589410.00	13790950.00	14852910.00	14096770.00	9062193.00	20241260.00	12783000.00	19117680.00	12654630.00	9322904.00	16411470.00	13928200.00	10122840.00	20718470.00	20767770.00	10245100.00	15476000.00	9904461.00	19659650.00	14141070.00	10988380.00	11437660.00	13070700.00	15763640.00	21915400.00	10632630.00	19307790.00	10321580.00	10769920.00	14038690.00	11936840.00	20821040.00	12991740.00	13190710.00	16532920.00	18156260.00	15575440.00	13001650.00	14922050.00	11999860.00	16703320.00	10401970.00	12443670.00	14072940.00	10370090.00	17138550.00	12388360.00	13811100.00	10605800.00	11276050.00	13338030.00	10245260.00	11599480.00	21652470.00	9316727.00	13158200.00	13202260.00	11530110.00	11249450.00	13511100.00	13753360.00	13048040.00	7832782.00	15114980.00	13589260.00	12487210.00	21212530.00	11859170.00	10310560.00	13496700.00	12072590.00	19186410.00	11523520.00	15210110.00	15907220.00	13374820.00	12885110.00	13076150.00	15273990.00	9016319.00	12022220.00	6664010.00	9784795.00	13927320.00	12426540.00	14125450.00	6994742.00	10943080.00	11168570.00	13314560.00	14533660.00
L-cystine	22875.88	20412.17	14252.61	13376.24	45126.39	27204.90	25022.06	24483.81	22406.63	25594.67	26880.37	41386.32	28306.02	23795.52	36295.92	20697.24	26704.27	26826.79	37028.44	28654.06	39800.37	13354.79	31341.97	31392.77	23201.94	11033.70	38869.39	49146.19	9556.30	44025.70	31880.41	40650.32	35536.35	24116.54	41986.15	25411.94	31080.84	19628.61	12165.30	20356.38	26820.84	28973.23	34613.57	32851.24	31778.10	34201.67	27910.51	8032.82	30661.11	7071.13	32379.94	27443.81	44604.27	60282.01	30388.87	35819.61	32320.01	42852.45	16028.06	17991.55	41134.62	40715.83	39314.12	20605.34	39132.33	29928.18	11493.42	34056.89	45120.17	28827.55	37524.16	41165.99	25602.32	52054.79	47750.29	22165.05	41135.72	30198.04	32921.93	19400.63	48193.27	44311.17	29217.98	22222.86	45343.62	18765.52	36018.16	19388.21	35879.04	39892.02	40257.00	33949.29	20607.97	39536.67	26202.94	9817.98	11555.00	39141.10	37557.24	35997.20
Hypoxanthine	1673536.00	1273274.00	1250483.00	1400795.00	1790116.00	1755738.00	1915243.00	2060758.00	1569937.00	1566526.00	1522646.00	1317627.00	1315617.00	1219827.00	1098111.00	1500757.00	1366585.00	1651370.00	1749932.00	1780966.00	2025110.00	1137189.00	1201264.00	1164894.00	1429633.00	1542535.00	1378535.00	1483097.00	826688.60	1888651.00	751434.90	1231797.00	1295164.00	1236893.00	1589523.00	1622709.00	1161833.00	1322672.00	1168920.00	1687654.00	1163594.00	1330444.00	1408689.00	1621407.00	923423.80	1675256.00	1922257.00	1482314.00	1620560.00	1418811.00	2157074.00	1376825.00	1024867.00	1101496.00	904486.70	706196.40	1392736.00	1132694.00	1072689.00	1370017.00	1728341.00	1562233.00	1034743.00	1072348.00	1005966.00	1976885.00	1162656.00	1023400.00	1347506.00	1671788.00	1196304.00	1144793.00	1095119.00	1148794.00	1111658.00	1420955.00	1687345.00	1112023.00	1330320.00	1779922.00	1057975.00	1156854.00	895264.50	883569.30	924191.50	1056495.00	833263.90	895191.20	1805867.00	1593419.00	926146.80	1198901.00	1843152.00	1726242.00	1173501.00	1497064.00	1740962.00	1502434.00	1057293.00	1345831.00
Xanthine	145286.30	142706.50	121599.30	141556.90	253392.60	109906.80	152670.30	137726.80	114596.70	116268.90	120422.50	107424.30	97313.65	109401.00	102915.10	194114.90	157813.00	149988.90	266331.60	166326.60	268623.50	134774.50	224219.60	212054.20	247321.70	148918.80	156259.80	228440.20	119012.90	129714.90	219413.10	281172.10	252332.10	110994.60	130638.30	234765.40	152821.20	257558.00	144205.80	203782.90	232024.90	159622.40	210551.30	224948.50	155787.50	227724.20	405862.80	111339.70	130597.00	146402.80	112950.20	92182.72	168424.50	188660.40	157786.90	119752.10	96352.66	84915.21	208379.90	125989.90	178571.30	149224.00	144718.50	120684.90	82294.12	207713.90	121153.00	147200.90	111545.20	91296.48	125018.80	169700.00	142385.20	168647.60	99680.84	80779.65	109397.80	141163.50	133078.70	169614.70	75652.44	144670.20	92583.27	123144.50	90570.85	98413.16	118369.60	139026.80	105841.00	158744.80	113787.70	170284.50	130009.40	145296.00	125067.60	132502.70	99080.12	137428.80	86349.49	184949.50
2',3'-Cyclic CMP	0.00	73074.97	40108.37	9897.49	26897.51	1737.64	1663.34	5140.44	6291.86	1511.84	20638.39	0.00	6648.10	7426.04	3320.51	93682.57	6240.92	163964.30	69811.74	36670.44	45627.14	11195.94	45730.00	3080.30	61932.52	27583.59	10242.74	20097.90	3778.57	49103.27	8709.64	9265.50	99659.34	16210.22	1887.67	145365.00	5052.25	13326.63	114065.20	77653.26	9220.84	2168.76	84376.38	2613.18	52687.82	6752.06	57283.69	87694.38	67202.82	96620.59	7694.52	94846.76	57368.89	87493.06	2292.54	23418.12	24741.43	10240.79	54358.04	66871.59	7016.18	3034.06	51427.73	52136.11	19263.89	55311.14	1893.84	117101.20	25105.06	23478.02	30093.67	7705.61	70599.88	121004.70	67981.65	64862.70	15661.92	42112.24	46270.03	40028.54	33013.89	20753.08	77289.97	7128.55	29679.49	56475.09	41992.79	26678.88	65125.22	99394.20	3353.29	91233.90	46280.69	17529.11	41191.75	1676.30	13825.40	26969.60	2702.99	49328.52
5-6-Dihydrothymine	1846378.00	843603.30	868534.80	1129731.00	2067801.00	671677.20	1295241.00	961921.80	1163345.00	4032613.00	1848975.00	644453.80	415191.90	1751052.00	1271284.00	1208072.00	583385.00	1328860.00	900718.00	745187.70	1033264.00	513997.50	2118332.00	2852105.00	2148270.00	523141.50	736542.30	769746.00	903444.50	900708.20	1178263.00	819740.30	1549166.00	3300956.00	392219.40	875713.70	583986.50	1053403.00	1940938.00	1870538.00	3127210.00	1727695.00	668262.50	492640.30	1413200.00	4376276.00	778655.80	1333640.00	1027361.00	1282569.00	1106035.00	799048.20	992690.10	573749.00	870026.30	2444043.00	1401882.00	724065.30	707714.20	1636148.00	638903.30	779070.30	349628.00	447262.60	464142.50	522564.20	406024.00	585451.60	568965.80	353106.40	570796.30	459863.50	556410.70	3379809.00	315225.80	1027978.00	847361.60	390898.90	874189.10	414601.60	1311770.00	432691.10	344107.10	397453.00	661472.00	483180.80	436470.80	1802089.00	396786.80	932033.30	528808.90	495239.60	807409.60	556449.80	254356.40	469859.60	483303.20	692651.80	1763207.00	697736.60
Pyridoxamine 5'-phosphate	166145.50	227559.10	145634.10	221657.80	231260.20	210590.10	277726.30	188702.30	225118.90	211620.30	320098.80	154811.40	206468.40	80703.96	311541.70	184969.60	289951.40	335246.40	145551.10	208154.70	242656.20	194551.60	319083.50	303700.20	280866.50	373731.70	253598.70	291007.90	162919.50	239620.20	174202.50	137363.40	271305.60	256059.80	204783.70	268102.80	167997.70	143853.90	112927.70	182909.10	202438.90	140721.20	222302.00	285820.10	222448.10	296439.60	176631.50	221967.40	198061.20	311566.60	206158.10	143229.70	207817.20	153652.70	218624.10	285324.80	172406.40	122944.40	171323.80	143817.10	225620.90	142599.20	237462.60	125766.50	233013.60	217479.50	209573.60	315605.20	173539.30	144032.30	215348.80	84914.34	239740.50	185595.90	260846.40	313860.50	166625.70	185185.00	249704.00	236296.30	206122.20	149516.50	249629.70	202105.30	249178.50	185784.50	125426.20	256594.90	181172.50	198571.10	185710.80	180770.20	154039.10	136701.00	261758.80	175115.00	236131.30	207080.20	175939.60	191979.90
5-Oxoproline	5685032.00	4236766.00	6589848.00	4640746.00	5806794.00	6404422.00	5669228.00	4441604.00	5391123.00	5502782.00	6241492.00	6499078.00	4552276.00	4578054.00	5838054.00	5877906.00	6534344.00	5278726.00	3945822.00	4851574.00	6593744.00	4296202.00	6197974.00	5742862.00	4554170.00	5906272.00	5517148.00	5420175.00	4600803.00	5846786.00	4420331.00	4433638.00	4521300.00	7042738.00	4766316.00	6577606.00	5337784.00	4971112.00	6651612.00	4694854.00	7673878.00	5639184.00	6445210.00	4212507.00	5464624.00	5024618.00	5843142.00	5353934.00	7117804.00	4554286.00	4829558.00	7754938.00	6284042.00	5466662.00	4962020.00	6671064.00	4868636.00	5581448.00	4955096.00	5200109.00	5507587.00	4430354.00	5799234.00	4381880.00	5416708.00	5288748.00	4378652.00	6964480.00	5548698.00	5723790.00	4635766.00	4226724.00	5737920.00	4701724.00	4137685.00	5074908.00	4384778.00	5445712.00	4946022.00	4858270.00	5169704.00	5421074.00	4821238.00	6474766.00	6536042.00	5296758.00	5998754.00	5335967.00	5705006.00	5059899.00	5202902.00	5063437.00	5065471.00	5712106.00	4417488.00	5342318.00	4323046.00	5505798.00	7271162.00	4506368.00
Ascorbate	2884566.00	3141460.00	3228240.00	2425288.00	2383116.00	2992490.00	3856525.00	2217595.00	3134611.00	412599.20	3091427.00	3077872.00	1247510.00	2398036.00	2258413.00	3129913.00	2058771.00	2849063.00	3034074.00	2462741.00	3203084.00	2838274.00	3081110.00	3253463.00	2712248.00	2589605.00	2249035.00	1854378.00	2403242.00	3550310.00	2436025.00	2476225.00	2947463.00	2818129.00	2867781.00	2122090.00	2529160.00	3422810.00	2122759.00	3357851.00	2553571.00	3126721.00	2554063.00	2102578.00	2462166.00	2374112.00	2461814.00	2926327.00	2007094.00	3072112.00	1771884.00	1788051.00	2358483.00	3209637.00	1791810.00	2216517.00	528126.10	1062368.00	3017970.00	2489944.00	1984284.00	2616649.00	1567604.00	3308961.00	3378225.00	3098418.00	2556322.00	2784649.00	2664754.00	2674420.00	1835150.00	2059029.00	1992278.00	2815981.00	2210689.00	2310832.00	1629351.00	2505416.00	2491211.00	2920347.00	2178757.00	1696672.00	2358872.00	2250140.00	2480009.00	2259419.00	2893228.00	2922601.00	2689334.00	2909048.00	2413364.00	2064953.00	1411250.00	3450124.00	1436604.00	2585769.00	2849582.00	3063025.00	2287559.00	2444776.00
gamma-Glutamyl-Se-methylselenocysteine	376774.80	299889.50	306411.40	315313.60	322108.80	344146.60	315721.70	177378.80	265935.50	336813.30	291363.80	362525.90	256675.00	295660.30	283069.30	348785.00	261682.80	297166.50	183420.20	238125.40	321724.70	243409.60	481049.10	393563.90	329754.80	388438.80	263366.80	448817.20	270031.40	242586.60	438415.10	299714.20	449290.80	364075.80	270097.00	366538.80	393784.50	398539.90	366477.10	425171.40	432019.20	396228.50	367221.00	454199.90	427444.20	267985.30	397018.60	260021.70	338667.90	366443.20	271246.00	188070.70	408956.80	418663.00	397877.00	483130.20	419705.20	223409.30	347188.10	309064.00	284076.70	326802.10	384038.20	370373.70	273525.70	321886.20	343811.30	391597.90	278831.30	225854.80	281084.30	428387.90	347440.70	348157.70	324460.50	290601.60	155071.90	348649.30	309400.00	275703.80	355615.40	344400.80	347356.80	459918.70	330395.10	403274.40	389423.00	374056.30	198265.30	337894.30	316765.00	372784.90	373095.10	309278.80	373300.40	353262.30	220801.70	289764.80	230566.60	383197.40
gamma-L-Glutamyl-D-alanine	57723.27	31010.96	38331.27	47932.34	68576.69	55568.61	46964.38	40003.43	50521.89	21440.52	44665.95	34075.66	28104.74	53095.14	29725.71	55702.91	36277.77	30499.40	51796.04	38469.84	62774.71	52068.88	51951.19	42589.95	50643.94	28815.23	39970.98	62979.80	22419.78	72634.57	43267.07	68344.45	51137.73	41393.00	47221.73	65867.43	33076.98	52642.46	34672.61	53620.33	40039.08	51906.46	77125.84	44278.31	47237.27	42906.94	43323.34	47065.75	70218.82	16378.95	53000.39	45082.06	51826.76	82421.07	34718.59	54241.34	81503.94	48157.14	49133.44	26830.72	45656.96	66966.84	49243.63	46146.76	32209.06	62114.57	35262.31	57860.21	31404.48	36929.37	42243.23	51641.04	46030.94	61020.22	34887.86	22728.81	75302.72	68749.93	46659.62	66059.95	48012.66	92117.06	48628.62	51521.60	57668.36	33254.58	37070.61	40965.98	47903.70	61831.32	43854.82	31052.72	47712.28	60448.73	22000.83	40123.22	47021.96	48327.25	65397.67	68479.74
(5-L-Glutamyl)-L-glutamine	75608.20	60010.14	83211.31	58659.14	90871.56	55062.65	75941.93	59568.38	60318.89	74048.54	68921.16	88064.73	67329.81	78090.55	94457.81	74430.01	99328.94	78482.88	40980.21	73384.21	55971.04	50847.61	85842.54	44213.84	78168.88	108181.00	74875.24	111524.90	85863.72	93203.38	82817.21	51867.98	50745.64	107664.20	46234.12	82766.26	114681.90	84834.60	92799.24	96931.37	80092.68	93188.69	100443.80	57732.44	56328.86	76317.18	130771.30	104423.60	115602.40	83145.60	111543.40	93748.38	130958.90	74586.12	72802.00	94296.88	77452.99	80780.95	109772.70	78617.57	68222.80	58838.49	75816.10	69377.66	82852.30	57469.02	63075.21	165685.60	72269.26	79412.79	98259.65	63777.45	99164.73	71887.18	78727.38	75694.23	63200.61	71613.28	129786.60	59259.40	84959.87	83819.45	65662.43	114443.60	92947.34	124508.40	59979.34	70842.90	118779.10	110458.30	83500.93	52772.32	116837.00	82651.84	78033.07	81071.12	25324.02	78580.10	78436.91	74490.31
L-Homocysteine	61812.19	79715.39	68086.52	51154.59	34137.48	89325.70	58520.51	25490.37	37479.08	72222.01	74221.78	84128.37	20627.91	36423.45	47573.29	61678.91	96906.41	63045.67	46439.80	29192.76	65533.16	37390.05	111870.50	65904.20	40244.76	94775.91	50381.32	68549.87	98943.63	62131.30	104521.70	17376.79	25884.13	105668.80	46966.17	62175.25	52167.79	74083.45	394336.80	59956.70	147521.20	73359.86	40138.64	35223.11	72047.30	61500.88	50073.88	49623.89	112772.70	34447.96	52590.43	24851.79	78443.60	19745.62	41807.26	70357.65	31390.05	19161.35	46130.35	51227.96	65611.61	43117.60	77928.66	36333.81	55404.64	8340.38	47636.78	31183.38	58361.78	20633.60	29403.60	23982.15	41303.67	54066.39	9182.20	56603.08	35801.97	56583.72	60211.75	21006.80	56550.30	48249.61	31138.10	40083.94	58905.35	50642.50	38202.79	104222.40	5736.17	14922.56	66988.05	76871.74	41910.00	42621.64	50421.27	34419.96	29374.66	79236.59	76682.25	44020.18
Dimethylglycine	658680.80	635149.10	1406039.00	577461.90	907795.80	636210.40	673860.30	496564.20	600016.70	718588.90	601468.40	714357.80	549633.30	911171.30	616655.70	533043.60	768476.80	545370.30	558248.10	830706.80	674464.30	629462.70	1111763.00	679229.60	543537.60	1104150.00	662900.20	1082513.00	1073478.00	842116.30	490226.00	688641.20	763515.20	1274831.00	778771.50	1161542.00	652012.60	608050.90	657025.60	554860.10	938288.40	670298.70	710414.80	885818.20	729274.60	962955.00	787077.70	1001912.00	612027.70	812840.00	540337.80	604508.80	744514.20	556068.60	1051417.00	874008.40	966131.20	1016686.00	675340.80	431683.20	465126.30	1116237.00	981327.70	632245.80	683758.90	938970.80	722240.20	718756.20	477532.40	799767.30	732493.90	411774.90	658624.20	727845.70	1177664.00	696176.80	1158461.00	485078.20	448371.00	492312.50	1092258.00	762334.60	989340.20	811654.40	579940.50	639955.20	511191.20	832142.30	491006.20	449874.70	642072.40	771635.50	485348.40	1093848.00	643522.20	380689.50	710377.40	620346.80	815529.80	651051.80
Ornithine	116310.60	150878.90	147248.50	242533.70	306013.50	177287.20	235125.50	119115.90	185763.60	344392.40	166110.40	199972.80	175389.30	180961.20	141490.20	196087.30	310601.70	194962.10	215359.50	247552.90	311953.20	160053.10	282266.20	342689.30	334065.40	237507.90	229198.10	368814.10	230648.90	181728.50	246805.90	528385.40	230076.80	186926.50	138736.70	372619.70	240381.50	282416.80	415019.40	249840.20	501482.00	330734.20	287883.70	225228.80	305924.80	313116.30	187792.40	242664.70	219332.20	292397.10	224304.80	123434.00	302337.70	266236.30	461681.70	450722.20	206372.40	170160.20	288586.60	196537.30	277901.80	165547.40	320119.70	302822.80	281155.70	299259.80	291375.50	348536.70	231502.80	257097.30	197762.00	194147.00	362540.30	266785.20	199848.30	191319.90	254030.70	391412.80	220912.10	291728.00	167398.00	222267.70	283368.40	284997.00	336983.60	255812.10	387315.00	377562.40	212229.50	228633.80	189129.80	258001.90	212660.10	245350.60	161608.70	160234.60	176478.00	339406.50	220353.20	324879.90
L-Citrulline	182503.50	114652.40	158511.80	137208.40	143915.00	171401.10	105417.60	62871.37	171868.50	254808.70	179313.70	263531.30	102452.10	241038.00	139749.10	138835.20	335241.10	155163.90	94963.53	97543.41	203632.60	70617.23	295480.70	234571.90	158216.00	183738.60	194288.10	353124.80	188097.10	164029.80	173698.90	151509.20	219375.30	174523.80	111345.30	179197.60	183834.20	198588.80	196640.90	117259.20	420206.80	250790.40	175664.00	77827.20	247594.20	290841.80	194029.90	199172.00	293790.60	212372.20	114987.90	164310.50	282181.60	154359.50	172920.70	270905.70	139285.80	125137.60	143441.30	161822.80	139220.80	110262.30	290360.80	169715.20	119635.80	130277.90	170930.00	176554.60	183349.60	126095.50	96607.57	103970.50	197790.10	125451.30	116311.60	196827.50	101041.00	179596.90	154163.40	147294.80	111939.90	169524.70	168889.20	154611.20	141394.40	139613.30	122273.80	214795.80	191543.40	96314.18	143530.70	183515.90	294500.70	170361.00	132612.90	82977.74	63023.19	130776.20	144295.00	107870.80
Spermidine	517061.30	374845.00	520394.10	444046.70	510397.40	692789.80	468031.90	565916.60	488031.60	451368.60	393038.90	452287.00	429707.20	479598.00	462663.70	540600.70	651255.70	758686.70	282508.70	613146.40	577998.40	476510.00	683097.20	538423.10	347939.10	640135.80	384195.20	544083.40	491787.20	347571.20	328936.40	543655.40	675985.10	639169.40	520081.80	439904.00	386719.60	456735.40	542093.80	361816.40	757024.00	342863.40	713678.80	450226.00	289737.50	530604.20	390088.60	567489.40	638351.50	411233.40	265104.30	617727.20	320105.70	342079.40	498555.30	562685.10	354997.70	504067.10	451247.20	422967.90	348058.40	337384.10	488172.10	367336.60	288865.30	477519.20	681976.70	300895.20	444519.90	402255.50	408358.70	260243.00	386210.70	401382.20	406782.30	351291.90	459355.00	374120.80	346309.60	330532.30	411772.80	458054.50	324061.30	387933.30	534013.20	544159.80	322840.10	597146.90	455390.80	295927.80	466404.80	357520.80	414738.60	242575.80	387419.30	275955.80	485283.80	450154.30	548573.20	446341.20
5-Guanidino-2-oxopentanoate	10453.08	12929.17	26971.06	20045.76	23488.33	17793.88	10953.07	0.00	22909.87	367046.20	13326.15	257351.80	5620.37	13565.18	16143.60	20286.97	28678.46	22620.64	19625.96	18367.39	43068.42	12237.93	14602.41	28399.41	25206.40	3883.36	53535.57	65675.87	17305.75	27243.60	18645.02	115525.30	34714.00	33358.54	9705.35	6752.07	10381.73	34725.92	18694.29	19347.34	0.00	43975.40	49471.09	26112.17	3655.78	149025.50	25902.42	49486.99	21479.34	63819.95	23214.46	7508.11	30459.88	149969.90	10784.49	14483.65	27073.35	24994.91	7084.72	18165.68	33658.35	181251.00	30609.19	27065.66	4207.47	15839.50	85719.64	13284.14	24534.53	10214.70	6273.06	8534.70	19512.37	22816.23	17264.96	33511.43	20085.40	12498.49	60165.75	19807.10	9807.14	20041.91	13676.85	17867.62	73856.88	7757.76	20080.34	26325.29	124967.00	15872.61	17955.64	18310.74	30553.54	37815.83	6881.56	12264.26	17404.96	11721.49	20387.22	115356.20
Creatine	35180880.00	36234480.00	41223150.00	51075220.00	31443630.00	49542690.00	26045820.00	29955130.00	37106440.00	49679120.00	43055100.00	44984480.00	37565990.00	45914140.00	41741280.00	31084490.00	50601690.00	37839080.00	39029400.00	41647380.00	50313710.00	31073500.00	48015230.00	39214820.00	39898920.00	54068830.00	33986500.00	50672710.00	57667830.00	32306710.00	38807570.00	52012850.00	48855900.00	51773320.00	53878520.00	35767120.00	43291780.00	50407060.00	33801110.00	37512650.00	40024050.00	43995240.00	36249240.00	41176260.00	35042920.00	41528400.00	53010170.00	55221550.00	40312610.00	45536010.00	40567790.00	48313400.00	51094140.00	35731480.00	48138560.00	49893100.00	44393550.00	50329950.00	38198620.00	39352520.00	36136420.00	34728020.00	57199760.00	42988680.00	35972450.00	50984170.00	41891870.00	48291020.00	51662510.00	43096470.00	38295000.00	34682770.00	40145880.00	45339330.00	40106000.00	64094300.00	50389640.00	36329700.00	40431930.00	35888970.00	43579310.00	55491390.00	43631020.00	53546360.00	34528460.00	48467170.00	53117730.00	30722900.00	56794050.00	44626280.00	36709520.00	47329840.00	34070200.00	48408900.00	45837020.00	42951430.00	41025640.00	46654040.00	41033910.00	47631890.00
Creatinine	48078100.00	29637910.00	30670920.00	47001310.00	39042370.00	35986220.00	37015880.00	40736630.00	26748740.00	39915330.00	41370660.00	40731670.00	23646480.00	64402170.00	30694740.00	41987680.00	32680470.00	41696950.00	50397020.00	43342430.00	56884280.00	35579720.00	42071700.00	54847650.00	41351210.00	31634610.00	33167470.00	43179760.00	35782400.00	50052940.00	30801720.00	51565680.00	56105010.00	43045580.00	47034260.00	50280360.00	43138860.00	41963790.00	29549150.00	50653790.00	36585290.00	51793620.00	39256570.00	42196620.00	37718340.00	57874130.00	56045100.00	43881760.00	43560880.00	41611470.00	52091150.00	44857880.00	51319290.00	45398740.00	42579450.00	44929720.00	37334220.00	39573730.00	35404830.00	43635230.00	45394810.00	51347380.00	55242140.00	46311760.00	27158430.00	51332240.00	39304630.00	43098070.00	41137050.00	29395560.00	41896180.00	44414320.00	48582200.00	50654930.00	41876180.00	35967360.00	45437580.00	42741720.00	48882610.00	55372120.00	47713390.00	39880750.00	40842910.00	44876810.00	33583200.00	38041990.00	45927440.00	36767240.00	50511840.00	48044440.00	42455840.00	39985950.00	43582200.00	48293360.00	36316000.00	39913710.00	48896420.00	44920340.00	47072630.00	58110990.00
4-Acetamidobutanoate	438507.00	296776.20	391147.00	389339.10	552782.90	262454.50	459810.00	261968.40	342753.10	342986.00	394968.60	376311.40	324981.30	246505.00	331982.50	500575.60	422707.10	482223.30	554551.20	391418.00	504068.70	349456.50	332012.00	531630.00	417436.80	504163.00	261255.40	351285.40	304137.70	467217.50	286940.80	398032.20	458090.30	310139.90	420604.90	450740.00	386160.80	433906.20	344618.50	424911.20	362957.00	230159.00	446829.20	341985.20	357069.20	424990.10	336518.70	357646.80	384989.70	419161.10	355982.20	314191.80	330071.40	389614.80	316381.30	309768.30	296319.80	277017.70	311203.60	367268.80	377932.30	377668.70	353094.40	315777.60	297562.80	461230.20	424071.70	353949.50	296407.80	362589.00	372055.20	378405.70	326158.90	418821.90	289555.10	334849.00	443493.80	352173.40	526320.30	491806.70	331591.20	366476.30	289439.60	260126.40	449799.70	325183.10	309768.50	562672.60	386933.10	400234.50	290347.50	332391.30	366688.00	446238.30	306477.30	267921.90	413238.20	376501.20	453993.60	329079.50
N-Acetylornithine	91009.06	45256.57	153750.10	75492.13	243772.10	100370.40	78735.47	219117.50	212072.00	626481.00	118245.80	533718.30	61654.94	110129.70	74483.48	182911.00	126334.10	243745.10	152538.60	152294.90	98940.93	73169.51	222553.80	220530.10	96710.16	25608.99	244696.10	728998.40	86724.41	57043.12	112645.30	148839.50	567074.80	419023.00	116601.70	384788.70	82560.72	180413.90	219470.70	47393.78	78349.68	265316.10	123238.00	136355.70	98075.46	303689.00	44991.75	140455.10	185617.70	199288.90	134247.20	118311.70	103406.10	313397.50	55465.92	329369.90	55984.25	98922.00	186852.00	98737.25	58752.73	280444.20	146572.80	174038.10	213134.20	96672.38	495018.80	82142.15	106760.10	104303.90	73106.73	61768.87	47143.98	240160.50	56393.86	82553.10	135103.70	120674.00	323310.80	59009.77	82909.98	146610.10	112866.70	80336.50	238252.90	59935.84	49070.32	116877.80	242949.90	43153.76	41513.49	45765.05	55441.41	91230.72	57112.19	104863.20	90368.71	60798.36	224188.60	371122.40
trans-4-Hydroxy-L-proline	1473549.00	959605.60	691730.60	1252982.00	1185572.00	553023.30	1146934.00	571447.80	981996.80	653154.80	931381.20	927215.50	889805.80	681169.50	857023.50	990765.40	781670.50	1032537.00	1326368.00	794652.30	1163186.00	1043287.00	848619.70	925714.20	1025509.00	950318.80	818631.90	778822.30	892134.80	1466184.00	657183.80	891166.20	887841.40	495530.40	855941.00	1165099.00	984394.50	812795.30	671169.60	971863.70	829767.80	688002.60	1510670.00	648052.50	784675.20	745329.20	921529.00	627086.40	1056710.00	913533.00	1240568.00	849405.50	1016769.00	896212.80	928044.80	788408.60	1095426.00	1143870.00	760761.80	896624.70	1675312.00	1353117.00	819280.50	941809.80	877537.20	1164094.00	819501.90	1062326.00	963637.10	809634.10	994186.90	977731.60	1008574.00	1726840.00	904624.20	799811.60	1268257.00	956422.60	1311872.00	1772775.00	997250.20	889386.30	959021.20	840747.90	1210567.00	913164.20	724773.30	1452392.00	1536657.00	1192566.00	1013722.00	1039400.00	1051663.00	1360260.00	761818.70	686865.10	715270.40	896694.20	1428181.00	1216520.00
Taurine	43522.25	72025.17	64344.59	58282.52	32901.82	54970.78	39281.92	40520.44	55198.78	33653.88	21993.98	61742.32	61237.38	34494.86	53043.33	46914.30	88083.91	73362.80	63603.08	68563.29	62693.33	59259.12	51763.39	44691.23	54889.25	59567.97	34729.27	38780.32	57560.59	42421.88	44356.38	65876.25	85125.26	48043.17	73580.29	56720.74	47351.34	60325.05	54834.96	63052.24	45769.83	64401.75	48909.57	54299.67	26307.85	42805.91	61186.44	56772.28	45432.50	64895.31	16233.66	50294.10	63228.83	45273.18	55935.28	35746.13	59346.96	36914.64	50713.08	56634.60	41005.67	24807.22	48617.95	39681.36	40095.34	36826.05	44178.31	55155.05	41786.41	43937.30	46168.04	47768.83	56215.66	72050.43	51344.97	51744.04	44214.33	37796.20	74940.59	67650.86	58278.11	39664.24	49993.77	54241.64	63539.19	76162.10	53777.92	40654.91	50691.83	63924.63	44420.25	42920.53	41614.59	62826.18	57516.48	46161.46	40831.05	45670.61	36616.51	57794.19
L-Methionine S-oxide	99714.84	65875.45	137470.30	105162.60	142063.50	109336.00	101132.10	103921.10	105031.50	105828.50	153132.90	128445.20	92910.38	107360.10	88551.56	107128.80	196967.50	135995.80	78053.15	162122.50	105525.90	92623.29	123193.90	130918.10	108966.20	136394.30	100567.10	129530.90	93888.44	146066.00	102203.70	82732.66	97874.60	174825.30	140786.20	153900.00	78394.98	86466.82	128431.40	88908.24	138500.50	102374.40	131014.30	119708.20	98683.02	100603.20	97796.37	165757.30	143481.60	101105.10	101171.90	173354.60	126734.60	87358.38	133115.90	151781.70	123432.30	122632.00	122935.00	122226.50	97732.71	80080.88	153046.20	113754.30	90990.73	98504.19	117210.40	160195.30	164300.50	128520.30	134820.00	63966.26	117005.50	79241.66	103401.70	168247.20	161607.70	151159.30	109337.70	98229.45	125978.90	132785.90	152559.30	100413.20	129437.10	125148.70	84755.28	165130.10	123976.50	89458.05	76869.54	74629.56	91180.55	59723.78	115421.70	59631.96	115694.10	133100.50	116232.40	97317.34
g-Oxalo-crotonate	840684.80	631860.60	644267.60	787619.20	1044554.00	706431.20	937819.20	778780.20	732336.10	764378.80	687953.20	677257.40	629834.80	531403.20	525486.10	767351.70	671013.60	771715.80	939457.70	770761.20	1066718.00	504659.80	688797.80	687422.40	752927.80	850114.30	762071.20	866210.10	490534.30	950877.00	335635.60	699409.90	751136.10	614345.40	865467.80	950940.00	606959.90	737596.60	629277.10	882159.20	699846.80	807969.20	778896.80	980460.90	555482.10	965426.80	1141123.00	727321.20	909948.00	728442.70	845614.20	553514.40	652287.80	548369.30	545298.20	302208.20	658384.90	395969.80	521363.20	632230.30	763597.60	866702.20	466484.20	504310.20	560167.20	967037.00	578148.90	485497.30	516703.20	743420.80	590834.00	652689.30	514865.80	591241.20	542330.30	710220.60	657865.90	610659.80	646062.60	868673.60	452296.60	588385.20	472909.90	483386.90	500146.60	521636.90	420004.00	431279.90	855860.10	751324.00	440887.50	523533.20	977903.20	970061.20	597867.80	677233.20	787148.60	685589.70	478525.80	646349.00
8-Methoxykynurenate	63177.12	51466.68	36285.82	63661.86	94359.44	27287.89	41445.82	33455.11	25740.99	27036.44	39910.16	56818.18	26013.75	33279.43	23768.15	62829.62	35081.36	50396.51	72695.01	48996.75	77848.15	56085.11	46927.25	67590.77	62721.86	36324.01	48225.29	66372.08	38578.84	61938.66	52099.02	77267.34	53825.11	28784.05	59123.16	75765.35	45577.64	82202.90	42291.43	50012.44	50921.45	51337.25	94733.26	57581.47	48380.30	54185.28	58973.95	54245.99	37426.12	34190.16	51022.08	9657.70	53226.12	51299.88	48901.99	29636.02	44595.11	46812.90	30804.62	43276.71	58699.86	58536.76	37792.49	34568.74	44463.30	55888.04	19431.22	34725.84	26930.16	25043.88	51536.62	71079.15	49967.18	73736.57	34863.17	29442.77	37582.02	52974.46	54949.17	80659.15	33804.86	53704.04	34793.31	40535.32	38073.75	41106.72	42027.69	48333.11	57953.16	54537.24	33589.29	47455.32	42333.32	62945.84	28267.80	41228.73	46585.67	50963.73	42066.46	58982.20
Serotonin	10370.77	11055.55	25669.43	10722.11	6043.63	8262.81	12263.16	12413.80	16829.06	10923.72	10663.11	6314.96	7710.69	6990.57	6986.63	8003.58	13390.89	9536.87	10033.24	4944.42	7543.45	13750.01	8902.68	8813.04	8957.69	7466.01	13547.13	17436.04	10691.85	13507.79	17577.77	19853.97	5415.85	77724.79	5320.29	6926.91	19369.23	17802.42	7493.73	8886.65	16406.61	6852620.00	13261.13	18725.92	4637.04	13319.67	21727.83	15586.57	15265.70	7257.50	18338.41	18547.88	15779.55	12365.74	4941.25	9491.37	5810712.00	6765692.00	3055035.00	2707260.00	15837.74	7077760.00	10672920.00	9872.85	16872.62	10402.56	4780.81	12930.58	15196.36	11752.92	8532.36	13476.38	10650.54	8217980.00	1204477.00	16923.68	3594.92	4805.54	15670.25	12635.13	11838.74	21334.14	7361.89	14762.85	17626.58	5160252.00	8504.88	5641216.00	305746.30	10696.51	5737578.00	11479.94	10284.07	7060.58	12242.77	10305.84	12573.69	9196913.00	7622.90	4027013.00
Acetylcholine	538882.30	273607.90	317350.30	358029.40	389623.10	407729.80	296295.70	329803.00	410311.80	557651.10	453417.20	401482.80	408923.80	587111.70	432152.60	207769.10	590047.40	418896.80	363887.00	409607.80	276345.70	225691.40	420986.40	446720.90	259098.00	103395.60	374794.40	534178.00	475608.70	430658.20	270974.70	254711.50	501849.50	722324.10	352147.20	314773.60	431660.50	489581.70	522905.30	283278.60	459526.30	302789.00	379749.60	383407.30	519063.70	349477.40	365656.50	522951.90	342607.60	562209.80	302688.10	343688.80	545431.20	389648.20	644161.50	856038.80	509210.70	489587.60	571788.70	355720.40	258373.90	232125.10	372302.80	404768.20	324157.00	404212.10	261697.60	340029.30	398225.20	292932.90	103860.70	242285.30	330072.80	546687.20	259515.60	513590.40	323224.20	373534.30	445728.50	385940.20	604307.60	326643.30	550684.40	539222.10	245517.90	363315.40	310635.40	420991.10	309082.80	388279.80	325608.70	438492.70	419623.50	330652.60	362902.50	297320.90	354632.30	378179.60	562885.10	406382.00
Choline	17677650.00	17463710.00	20377710.00	23149190.00	16224750.00	15112180.00	14992680.00	20064450.00	19104880.00	20465690.00	21696390.00	22819510.00	14432970.00	14339380.00	15821360.00	22151810.00	23174130.00	17334870.00	22002950.00	19943530.00	20233190.00	17406480.00	28441890.00	26160220.00	18094890.00	20390120.00	13282290.00	22779150.00	14104010.00	19640490.00	14225650.00	19433490.00	24130680.00	16658730.00	19138700.00	18291460.00	20750380.00	18386740.00	21056780.00	18080560.00	17109550.00	16536860.00	23025970.00	14904100.00	16768430.00	20485260.00	23172360.00	19616200.00	16452960.00	16475500.00	8591307.00	11602420.00	11570270.00	13265330.00	13819360.00	16799730.00	9105237.00	11151740.00	10437880.00	17951120.00	11733200.00	15148020.00	14122550.00	11173760.00	8657149.00	14621180.00	14402340.00	17545880.00	14423930.00	12957800.00	11722600.00	12359100.00	13568770.00	14052000.00	10020940.00	11875910.00	12655200.00	12408520.00	16884200.00	12201810.00	13800360.00	13329060.00	14576590.00	13644270.00	15346480.00	14895410.00	9124615.00	9544161.00	13104170.00	13493390.00	9284224.00	12939850.00	13414010.00	12120660.00	10981870.00	10564850.00	13215670.00	14931790.00	15114710.00	14865360.00
L-Carnitine	11375830.00	7093790.00	12266380.00	7684568.00	9519595.00	14880370.00	8192746.00	8781972.00	5918358.00	10901070.00	15167770.00	13878240.00	8101874.00	11120520.00	14489160.00	11131540.00	14544390.00	11035040.00	5449070.00	9851886.00	9815855.00	4380264.00	15176570.00	11537960.00	9824945.00	8046604.00	7441130.00	17284090.00	13469540.00	15918920.00	6412266.00	8086328.00	9050729.00	18763230.00	7755704.00	10740480.00	9887458.00	8181574.00	11081020.00	7781390.00	19427920.00	13274800.00	9192499.00	7169618.00	10520560.00	13124300.00	20019030.00	15782470.00	20413850.00	14385890.00	7819120.00	16381440.00	13956520.00	10690360.00	13442710.00	17047050.00	13210550.00	15510550.00	11528280.00	11075400.00	7793616.00	4429754.00	15401960.00	9894192.00	11150200.00	12344220.00	9759140.00	9031923.00	14698080.00	9697911.00	11220760.00	6315828.00	12298210.00	9534964.00	12029550.00	11399210.00	9906655.00	9953165.00	15141430.00	3744569.00	11609120.00	13850560.00	13915820.00	10937170.00	8829908.00	10821280.00	11799990.00	9102161.00	17420990.00	15753970.00	8182144.00	8454937.00	9373093.00	9348788.00	10601880.00	10332670.00	12014100.00	14631270.00	11954720.00	13312680.00
acetyl-carnitine	10249270.00	7044256.00	12393270.00	7241134.00	6576104.00	11644110.00	7165828.00	7655430.00	6772700.00	8836525.00	18515200.00	10706250.00	6880696.00	19923750.00	10292780.00	6260608.00	20922070.00	9249112.00	5218788.00	10461210.00	7687926.00	4665198.00	19520570.00	22313130.00	8771103.00	2662466.00	7086766.00	27532980.00	10443420.00	15762850.00	8192410.00	7738488.00	11329950.00	23956870.00	8378500.00	12031360.00	10727760.00	10098300.00	9600587.00	8880365.00	15061180.00	11302810.00	8384484.00	7601852.00	13453510.00	9419344.00	15785410.00	16162620.00	18020030.00	13247840.00	3688894.00	4559707.00	14240000.00	7124652.00	11025720.00	11417420.00	15401020.00	10326140.00	13756540.00	5704638.00	5046938.00	4478808.00	15563100.00	6662938.00	8200732.00	12939060.00	10447040.00	7175168.00	8502419.00	9421387.00	2374102.00	4334116.00	8908927.00	10612960.00	10720240.00	13759180.00	6647944.00	8376002.00	12545210.00	4480964.00	9051921.00	12012160.00	14312730.00	10026890.00	6801096.00	7124626.00	9499479.00	10999490.00	11799990.00	8615692.00	7781364.00	6685500.00	7319464.00	7865694.00	8303088.00	4600226.00	12398290.00	11992080.00	10241200.00	11009840.00
propionyl-carnitine	581785.10	305032.00	723681.90	558735.10	432237.20	368141.80	400677.30	428938.00	418134.20	531184.90	889066.00	482762.80	477861.50	608049.10	694090.80	390340.80	841427.00	470508.40	302526.10	734125.30	459536.50	404771.40	939340.20	1203388.00	504519.50	180578.10	308676.80	1467626.00	630281.00	867610.80	515993.50	429213.50	613288.60	1311055.00	471460.90	804468.30	594540.40	584524.40	560390.40	463584.90	725676.80	522741.60	701792.00	503543.00	796599.80	448325.20	1170960.00	1001764.00	977855.50	740175.70	269529.10	200346.10	883274.20	354745.10	699703.20	476094.50	550399.10	610427.70	743097.70	248660.90	255057.10	323875.00	698514.60	323671.80	440673.50	534783.30	458878.90	332577.00	298596.40	592934.30	166644.20	363424.70	479714.50	525365.10	733265.80	859791.20	301320.20	343978.70	636447.20	292300.70	387443.50	609489.20	860998.10	543086.20	332645.10	347625.60	439601.90	501924.70	673645.70	457567.80	389465.70	267131.30	287702.80	386336.70	392662.50	197634.00	649596.90	575151.10	802346.70	598398.80
butanoyl-l-carnitine	308217.20	239320.50	293497.10	385717.50	514258.90	258261.00	301872.50	301898.50	327798.80	270716.80	400403.20	251115.30	544379.40	380120.10	371974.90	242693.00	376233.50	218506.90	280283.40	274734.40	340110.40	338950.20	501650.40	462665.50	366429.00	413417.20	290828.30	749592.70	310886.80	419232.80	473199.90	383567.20	272394.50	693002.90	280521.20	436571.20	443330.60	353665.40	340370.20	390101.40	641814.70	477961.40	315873.10	401881.20	602633.60	283821.90	668184.80	493191.50	547403.30	356222.10	208214.50	163522.50	322797.40	450928.50	312401.20	284942.40	249944.70	318287.80	372680.50	194292.60	227160.90	165593.90	412422.80	198981.10	276721.70	465733.10	212442.50	259910.20	169675.70	213029.60	183954.70	182929.20	399802.40	280423.50	343756.00	258288.10	296206.10	190498.30	280240.90	189840.60	338802.70	335951.80	442462.20	311163.80	362981.10	206753.40	240015.70	327998.20	215033.30	211894.10	280192.90	305145.50	204314.00	225603.10	194302.60	134693.80	285464.80	240753.90	278184.80	303059.80
Hydroxybutyrylcarnitine	196165.10	233259.70	152701.90	181529.60	428409.10	899371.00	153611.30	239955.10	384122.40	1021925.00	245846.10	327641.90	253837.10	26784.01	423787.90	403551.00	337478.30	267321.30	414403.90	303824.00	363975.90	97905.48	185051.60	287663.40	48017.10	522670.20	547552.40	1170279.00	122017.00	110486.50	184507.60	323177.10	467047.70	176203.40	40385.74	923158.80	153236.00	428291.30	323489.00	515594.60	232681.90	334113.40	263092.30	450970.10	330380.80	1071604.00	538794.80	238024.50	1408968.00	2039952.00	313109.40	152713.60	82238.91	172022.20	52916.97	613850.20	411960.20	77577.88	183921.20	109582.90	214690.30	195710.30	224012.90	409031.10	124149.30	147390.50	256404.30	104378.60	159658.30	175572.00	264079.90	59874.11	159408.70	290071.80	70025.40	111155.30	458386.90	69555.52	426210.70	150117.40	73590.31	160233.30	463925.50	52302.28	683160.50	166440.90	86356.38	661873.40	281908.10	220476.10	176501.30	171232.00	115395.10	89913.51	208697.60	597767.40	154755.40	43484.34	270317.40	677864.60
hexanoyl-L-carnitine	74891.70	98317.66	127963.00	106733.40	149287.10	150644.80	92371.29	74274.03	75066.66	132664.50	126161.80	97260.60	95768.77	117397.90	148265.70	76203.82	135347.20	83497.02	120009.00	115680.70	136007.70	60999.66	270068.10	218424.20	159586.40	158594.10	129398.90	318158.60	163160.80	163746.20	88726.65	232541.00	182008.70	165821.30	58628.32	172339.70	174848.90	140012.50	142507.70	139116.40	200435.20	157031.40	87461.90	120345.40	164357.20	205283.60	270592.50	110680.30	120499.00	136239.40	78338.51	19193.44	105396.10	90415.60	125163.00	136959.80	67371.74	66556.02	167407.70	86413.19	82402.98	78154.88	145262.60	95194.59	128471.60	137029.40	91961.62	123877.90	84450.62	83619.61	110762.50	103796.40	129480.70	131761.80	126891.80	92367.66	56793.04	100428.90	109544.60	99622.38	132162.50	84762.07	129440.50	97383.48	117599.10	86743.77	88745.79	211024.50	63665.49	96406.01	118517.40	94429.81	94372.48	106156.10	91836.31	79568.85	79440.69	94028.78	30575.24	153319.50
6-Pyruvoyltetrahydropterin	89919.65	72187.40	112034.30	73090.66	95060.35	150371.90	83990.16	44528.72	72382.84	114107.70	115778.20	127848.60	72200.23	145658.20	71965.84	105658.80	131087.70	82600.12	41401.62	74630.94	67824.80	66446.16	218272.90	216273.20	65479.76	115464.50	64116.19	190959.10	60627.66	76821.88	113635.30	88894.57	205435.60	184001.00	109468.00	110197.30	112410.80	125251.80	100526.40	134280.80	178977.90	152691.20	89756.91	92982.29	135167.40	62117.66	102293.10	98860.66	114593.10	105398.80	71447.45	41139.67	105366.90	164561.30	138188.90	190874.30	172840.00	89148.91	140765.10	98618.54	70868.91	99230.02	128820.60	70813.00	63252.64	75067.70	149010.20	118608.30	89476.27	78350.77	79590.69	109727.50	118843.20	90088.99	108742.00	135774.80	36766.86	80132.90	101158.10	69393.53	174188.20	162962.00	129772.70	172793.20	139971.80	149427.20	113042.10	115075.00	77906.28	74378.45	76597.09	115873.40	149674.10	103895.00	131388.60	84780.56	62517.04	114945.10	71628.59	103358.30
2-Deoxy-alpha-D-glucoside	5459291.00	9531371.00	5621436.00	7397738.00	9085373.00	5909450.00	7652420.00	5415306.00	5559558.00	6079288.00	5429482.00	5514630.00	8034182.00	6389072.00	7275938.00	7060214.00	7191876.00	6326272.00	7218248.00	5266716.00	8203310.00	7665202.00	10719610.00	8862659.00	7757092.00	7115044.00	8440067.00	7594896.00	5921078.00	8593905.00	9065360.00	9088032.00	10556470.00	6197578.00	4540395.00	9006772.00	8563449.00	12243670.00	10894440.00	9496467.00	9190695.00	9756361.00	9196663.00	8192030.00	9006976.00	5726110.00	10882270.00	7198474.00	6106968.00	8421975.00	7534120.00	5426052.00	7876822.00	9169241.00	9819757.00	9587672.00	7427272.00	4688896.00	8559209.00	7148102.00	8098128.00	7025264.00	8059662.00	7504212.00	8705385.00	10064890.00	6513384.00	9878968.00	5134862.00	6042350.00	6800122.00	11592500.00	8803201.00	9554655.00	6485174.00	5652676.00	6090854.00	10635380.00	8632612.00	5486826.00	5454602.00	6351932.00	6855198.00	9532448.00	8362694.00	7589060.00	8830086.00	9658307.00	4261100.00	10043960.00	8229766.00	8894195.00	6909762.00	9525775.00	8589130.00	8194026.00	6947630.00	5697908.00	6405630.00	10084590.00
N-Acyl-D-mannosaminolactone	619456.00	438757.40	838629.20	448265.80	551361.80	697458.40	506872.20	536715.10	661442.00	643310.30	625412.30	765375.50	525874.40	368332.40	544786.20	645744.20	703788.70	579948.40	529371.10	597967.40	664707.80	493350.80	723678.20	688726.40	663618.50	627430.40	629491.90	599647.70	584597.10	633271.30	485586.70	559069.10	675142.20	652514.20	817843.30	542408.80	491543.70	399149.10	807611.20	737274.30	815444.30	568923.20	601143.50	921508.80	753671.80	590990.20	952776.20	519472.70	520537.00	491301.50	422941.20	702777.10	773707.30	547522.60	604523.30	737279.80	522783.80	531215.10	586338.80	600615.10	563049.10	604055.60	637209.10	527922.70	611899.80	511010.80	456043.80	617002.90	692109.40	538730.20	607094.50	515734.20	713846.80	470112.20	758417.80	532660.50	426177.50	531112.10	670008.20	474434.80	638712.50	778603.70	543263.80	546259.10	619802.60	602936.80	468638.50	487434.90	638695.70	610925.40	499527.90	524121.80	630254.90	575088.20	622886.40	687454.90	488753.20	807513.90	611461.40	487645.50
N6-Methyl-L-lysine	382962.50	69378.63	113880.30	84943.62	614734.10	142709.90	430235.30	118326.60	76083.45	754087.30	630428.80	454526.60	67576.09	111690.30	59031.47	90568.66	138252.20	481135.30	107744.50	78936.32	123775.60	66600.63	630069.80	687647.70	514467.90	102467.10	99547.35	93713.77	98046.25	50869.68	661009.90	122733.60	376684.90	580833.50	82072.34	369089.30	498736.80	105108.20	728414.70	294102.70	797042.80	104681.40	332415.30	121170.70	97067.40	68574.27	355951.00	87418.69	551492.10	81381.61	607498.70	80822.55	360507.80	464941.50	106693.90	724739.90	141449.10	156961.80	120414.90	536529.10	309209.80	490640.90	414142.00	320311.80	114943.80	263173.70	253393.80	479972.30	138337.70	112146.40	85945.46	112353.50	436462.50	117666.20	256299.30	74964.23	116025.40	412917.20	106795.10	109615.10	152549.60	110390.70	371761.40	227706.90	104704.00	108084.30	130769.10	80357.58	310636.20	119710.30	396483.00	101943.70	149128.50	70915.51	283510.80	134579.40	72870.32	125007.50	153492.40	102780.70
10-Hydroxydecanoic acid	146329.60	46274.01	122791.90	87112.68	31258.38	107487.00	147665.70	31900.10	14009.79	10898.89	63472.59	82887.94	50363.01	73687.20	164547.00	117556.10	103264.80	54255.28	82558.50	48076.64	38322.56	239776.60	38798.80	268202.70	75717.73	30476.53	64415.82	108249.80	181837.60	169370.00	157489.60	176003.60	280743.70	71781.65	353320.10	150623.60	37444.52	59852.62	84545.84	225917.60	109638.20	160365.20	137124.40	15503.81	86476.55	7723.55	55227.29	40099.52	40321.79	35504.21	69755.67	50547.29	20411.13	94809.26	61034.98	26942.54	8665.10	80292.96	52604.64	49729.22	36115.22	66112.19	12386.58	42815.61	25097.51	423856.80	9716.91	25969.97	38221.14	46106.83	106275.80	61812.86	35833.04	25613.31	130359.20	71180.55	8632.33	112832.80	38091.62	193381.80	0.00	167159.80	42252.56	61111.76	60497.44	101120.10	26499.85	30394.95	92873.76	221044.20	21953.42	8668.97	145904.50	0.00	60257.58	63904.86	10071.29	47077.50	49294.50	29177.92
2-Oxo-7-methylthioheptanoic acid	347708.60	121939.50	435060.40	286896.60	332694.80	197779.20	233777.80	281105.30	430171.50	356312.70	437459.80	394544.20	198814.10	310794.70	257783.10	302554.20	497956.30	305403.60	291267.20	313279.00	416926.20	338474.30	467505.20	568034.60	371530.90	493159.00	359140.60	354710.30	449400.80	208457.60	222120.20	459100.30	107756.40	356984.80	417688.00	548820.90	425942.50	364332.40	446920.70	216964.20	616661.90	368436.40	243724.40	455537.00	382269.40	346861.10	253333.50	406341.20	379762.70	397801.40	254560.60	280048.70	190122.00	180673.00	485336.00	295565.00	255305.60	355429.90	289930.20	292978.80	288083.30	230436.60	444975.70	255753.80	351166.70	337988.60	276838.00	410750.30	329912.20	378781.70	283676.30	120928.20	382846.90	237997.20	371894.70	318299.20	337245.10	227856.30	255220.60	341122.70	453226.40	330926.60	538678.90	343109.50	412024.20	383954.40	298202.10	216506.50	350102.10	139138.20	301509.90	273589.50	225306.30	304817.40	329904.80	321260.40	391031.80	302289.40	405445.00	313474.70
L-Kynurenine	161011.40	133605.20	178765.40	158994.30	113694.90	143782.70	123031.30	188555.60	145805.60	190032.40	191993.60	159321.80	106633.80	196231.10	161317.70	177684.40	331941.80	173517.10	184646.50	173916.40	192276.00	177089.50	203392.30	358445.50	227900.90	275671.30	178398.80	389272.80	118353.00	163674.90	152527.10	270461.40	225485.70	402567.30	160711.30	179981.10	125022.30	183565.90	159962.80	90875.10	404136.40	180843.40	216582.30	235183.10	210965.40	153558.70	177985.60	136470.70	163546.10	237278.90	62901.67	130337.00	146166.90	85951.29	170545.40	134716.70	87193.51	72076.66	218198.20	119053.00	94289.29	74514.80	129240.10	121114.20	189553.80	133690.80	164218.70	291892.20	279201.30	149594.70	165542.10	156753.10	194340.50	198298.90	178427.10	219123.60	176926.90	184738.80	307120.50	229379.60	194386.80	152729.30	235499.30	178724.00	170176.70	232217.30	198804.70	262795.20	189046.90	214858.70	100844.90	175987.10	161232.00	137200.50	192662.90	119821.90	159287.00	188525.30	165283.00	162108.00
L-Formylkynurenine	118974.30	126455.20	132801.90	95561.06	61680.02	85797.66	120139.10	134568.50	133552.80	224684.00	69843.07	104480.40	126280.90	127236.10	168947.60	70270.34	151422.20	77178.44	71116.52	120348.90	90414.32	109627.00	90463.24	129887.30	162034.40	165200.90	103634.50	122358.70	63099.96	78726.96	100701.30	53498.24	97162.20	148088.00	124481.80	154808.60	98892.21	50853.43	62902.19	85853.45	107636.70	129499.40	88037.21	134178.50	125920.90	108914.10	76665.04	91989.44	107819.90	155141.00	112128.20	228347.50	143443.40	95549.09	155593.70	152544.40	93855.34	72219.29	78055.55	90895.81	192579.40	134163.40	171827.90	38275.44	44531.52	30203.79	36672.35	114063.70	35359.71	31326.33	33763.97	27888.25	19026.32	36833.92	40622.43	56043.84	52890.26	33170.48	43723.27	25513.83	49831.23	22752.97	38606.30	59918.11	45430.70	52485.36	39896.20	46178.23	31722.90	26939.23	19244.85	35979.80	39916.53	36137.19	50920.93	39658.89	19743.46	45262.57	36168.38	24215.12
Anthranilate	385569.70	62573.12	95676.25	518633.40	2756200.00	139372.70	1028179.00	69594.12	186784.20	145899.80	410947.90	140860.50	600102.50	1974981.00	88573.49	57169.56	146847.60	183377.10	7202058.00	148374.60	3149962.00	88822.84	180064.60	123747.90	2196423.00	149629.50	543612.20	999525.80	1618997.00	82296.68	443916.40	281354.00	294709.60	1761237.00	61447.29	72242.30	110529.80	2739973.00	965767.70	61666.64	83329.85	237651.20	153961.80	2501429.00	202476.80	127232.20	143256.60	299728.30	514550.10	174960.80	62404.04	90932.46	119189.70	531937.60	253604.20	610323.60	330519.10	507605.90	1230295.00	240787.80	915188.80	122303.90	225261.30	272626.40	197151.50	272014.70	60284.64	285849.70	49346.66	234093.30	109456.90	70199.83	663759.10	1463537.00	144682.60	184791.50	102226.30	251212.20	1095508.00	1144280.00	173325.90	1686611.00	477427.40	78198.31	133064.90	1777185.00	137631.10	167773.30	123009.00	55586.57	214482.60	241275.90	117403.10	111633.70	87168.12	49866.29	46742.62	224604.20	3712261.00	326778.30
Picolinic acid	781535.30	619643.30	643056.70	5048362.00	699728.80	3500589.00	620134.80	572973.10	568705.00	553362.30	3577942.00	11364140.00	3210393.00	402787.20	4130810.00	907805.60	4021863.00	3058802.00	10494360.00	4458890.00	7097732.00	3609604.00	2412353.00	430608.20	3711672.00	873330.80	637076.70	7344074.00	4671545.00	3388996.00	676090.40	9481749.00	3516365.00	724321.30	605263.60	11648680.00	4763220.00	1454937.00	731512.20	821612.80	2008414.00	1280483.00	4530240.00	600361.40	622390.60	2054012.00	921034.20	576892.10	583799.10	725197.10	773613.00	522628.60	578813.50	772857.80	10014250.00	672561.20	4031290.00	592649.30	11515700.00	766148.50	673197.30	9998608.00	561865.10	349240.00	621049.70	601381.00	1487658.00	523201.60	586442.50	709871.30	2796470.00	779138.20	762877.50	4348644.00	568568.70	651984.60	675167.40	708583.30	529091.10	826540.90	233823.50	10384630.00	691248.40	3640586.00	592317.20	647191.30	10113810.00	3439391.00	3927837.00	544676.10	558696.50	8056700.00	1877415.00	678917.80	583880.70	7420346.00	6746906.00	756988.90	712289.90	649128.70
Quinolinic acid	2805.19	0.00	4888.42	3225.53	0.00	0.00	0.00	6302.51	0.00	0.00	0.00	2361.88	0.00	6599.29	0.00	0.00	5813.25	2075.44	7978.51	1644.91	0.00	2834.59	4133.90	20733.19	12071.93	4570.95	0.00	14738.22	0.00	1578.93	2448.14	8162.17	13588.91	20425.71	0.00	2274.40	0.00	0.00	0.00	0.00	10766.56	5852.69	0.00	0.00	2711.10	1988.11	0.00	1522.59	0.00	0.00	0.00	3418.28	4126.89	2260.40	0.00	3009.58	0.00	2071.58	0.00	0.00	0.00	0.00	15722.18	0.00	0.00	0.00	0.00	5844.65	0.00	0.00	0.00	0.00	0.00	6048.77	3682.47	0.00	0.00	7536.60	0.00	0.00	3338.17	0.00	0.00	0.00	0.00	0.00	2348.80	5628.26	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	1466.40	0.00	0.00
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	HMDB ID	quantitated m/z	medRt
L-alanine	C00041		90.05559	0.6636432
L-arginine	C00062		175.1189	0.639622
L-asparagine	C00152		133.0605	0.676321
L-glutamate	C00025		148.0603	0.6849335
L-glutamine	C00064		147.0761	0.6640787
L-histidine	C00135		156.0766	0.6289637
L-leucine	C00123		132.1017	0.6852111
L-lysine	C00047		147.1124	0.6109412
L-methionine	C00073		150.0583	0.6797432
L-phenylalanine	C00079		166.086	0.6892406
L-proline	C00148		116.0709	0.6809056
L-serine	C00065		106.0501	0.6711783
L-threonine	C00188		120.0656	0.6637021
L-tryptophan	C00078		205.0969	1.72499
L-tyrosine	C00082		182.0809	0.6820982
L-valine	C00183		118.0865	0.6822338
L-cystine	C00491		241.0291	0.6710554
Hypoxanthine	C00262		137.0456	0.6828224
Xanthine	C00385		153.0406	0.855554
2',3'-Cyclic CMP	C02354		306.0502	1.686512
5-6-Dihydrothymine	C00906		129.0658	0.6690186
Pyridoxamine 5'-phosphate	C00647		249.0605	1.725679
5-Oxoproline	C01879		130.0498	0.664988
Ascorbate	C00072		177.039	0.6799067
gamma-Glutamyl-Se-methylselenocysteine	C05695		313.0334	0.8509924
gamma-L-Glutamyl-D-alanine	C03738		219.0974	0.8446888
(5-L-Glutamyl)-L-glutamine	C05283		276.1187	0.6639972
L-Homocysteine	C00155		136.0427	0.6818507
Dimethylglycine	C01026		104.071	0.6873635
Ornithine	C01602		133.0972	0.6067423
L-Citrulline	C00327		176.1027	0.6639223
Spermidine	C00315		146.165	0.6136907
5-Guanidino-2-oxopentanoate	C03771		174.087	0.6823248
Creatine	C00300		132.0768	0.6701563
Creatinine	C00791		114.0664	0.6773025
4-Acetamidobutanoate	C02946		146.081	0.6867251
N-Acetylornithine	C00437		175.1074	0.680355
trans-4-Hydroxy-L-proline	C01157		132.0654	0.6863788
Taurine	C00245		126.0221	0.6880642
L-Methionine S-oxide	C02989		166.0529	0.7417701
g-Oxalo-crotonate	C03453		159.0274	0.6794577
8-Methoxykynurenate	C05830		220.0577	1.747081
Serotonin	C00780		177.1019	0.9529802
Acetylcholine	C01996		146.1172	0.6791855
Choline	C00114		104.1074	0.6653034
L-Carnitine	C00318		162.1122	0.6673449
acetyl-carnitine	C02571		204.1229	0.6827476
propionyl-carnitine	C03017		218.1385	0.6838768
butanoyl-l-carnitine	C02862		232.1541	1.694243
Hydroxybutyrylcarnitine		HMDB13127	248.1483	1.750922
hexanoyl-L-carnitine		HMDB00756	260.1852	1.800997
6-Pyruvoyltetrahydropterin	C03684		238.0917	0.8494978
2-Deoxy-alpha-D-glucoside	C03573		164.0665	0.6002908
N-Acyl-D-mannosaminolactone	C03792		205.0574	0.6603554
N6-Methyl-L-lysine	C02728		161.1281	0.627809
10-Hydroxydecanoic acid	C02774		189.1483	1.857465
2-Oxo-7-methylthioheptanoic acid	C17220		191.0762	0.632349
L-Kynurenine	C00328		209.0918	1.417013
L-Formylkynurenine	C02700		237.0867	1.468425
Anthranilate	C00108		138.0548	0.7229602
Picolinic acid	C10164		124.0388	0.5965942
Quinolinic acid	C03722		168.0296	0.9021818
METABOLITES_END
#END