#METABOLOMICS WORKBENCH FienVerdoodt_20251111_070501 DATATRACK_ID:6655 STUDY_ID:ST004369 ANALYSIS_ID:AN007299 PROJECT_ID:PR002768
VERSION             	1
CREATED_ON             	November 19, 2025, 5:26 pm
#PROJECT
PR:PROJECT_TITLE                 	Medium chain triglycerides induce metabolic shifts in dogs with idiopathic
PR:PROJECT_TITLE                 	epilepsy: a multi-omics approach
PR:PROJECT_TYPE                  	Double blinded placebo-controlled dietary trial in dogs with idiopathic epilepsy
PR:PROJECT_SUMMARY               	Background: Medium chain triglycerides (MCT) are a class of dietary lipids with
PR:PROJECT_SUMMARY               	proposed beneficial health effects in animals and humans alike. Their mechanism
PR:PROJECT_SUMMARY               	of action in specific applications, like epilepsy, remains however unclear.
PR:PROJECT_SUMMARY               	Therefore, the aim of this study was to identify alterations in the fecal and
PR:PROJECT_SUMMARY               	plasma metabolome and fecal microbiome in dogs with idiopathic epilepsy (IE)
PR:PROJECT_SUMMARY               	following an MCT diet. A double-blinded placebo controlled dietary trial
PR:PROJECT_SUMMARY               	including 32 dogs with drug-resistant IE was established. Dogs were randomly
PR:PROJECT_SUMMARY               	allocated to an MCT (n = 16) or placebo diet (n = 16) for 3 months. Feces and
PR:PROJECT_SUMMARY               	plasma were collected at the start and end of the dietary trial. The metabolome
PR:PROJECT_SUMMARY               	of plasma and feces were analysed using liquid chromatography coupled to high
PR:PROJECT_SUMMARY               	resolution mass spectrometry, and the fecal bacterial phylogeny was examined
PR:PROJECT_SUMMARY               	using 16S rRNA sequencing. Fecal metabolome, plasma metabolome and fecal
PR:PROJECT_SUMMARY               	microbiome data were integrated using the DIABLO framework. Results: The MCT
PR:PROJECT_SUMMARY               	diet elicited distinct metabolic adaptations and modulated gut microbial
PR:PROJECT_SUMMARY               	composition, notably characterized by alterations in histidine and energy
PR:PROJECT_SUMMARY               	metabolism, a reduction in Escherichia-Shigella, and an enrichment of genera
PR:PROJECT_SUMMARY               	including Ruminococcus and Faecalitalea. Multiple correlations were observed
PR:PROJECT_SUMMARY               	between significantly altered microbial taxa and fecal metabolites like e.g.
PR:PROJECT_SUMMARY               	1-methylhistidine and creatine. Conclusion: Our findings demonstrate that a diet
PR:PROJECT_SUMMARY               	rich in MCT does not only support peripheral energy metabolism, evidenced by
PR:PROJECT_SUMMARY               	stable carnitine metabolites and reduced plasma threonine, but also reshapes
PR:PROJECT_SUMMARY               	microbial composition. Therefore, potential involvement of the
PR:PROJECT_SUMMARY               	microbiota–gut–brain axis in the mechanism of action for MCT in dogs with IE
PR:PROJECT_SUMMARY               	was underscored.
PR:INSTITUTE                     	Ghent University
PR:DEPARTMENT                    	DI11 - DI04
PR:LABORATORY                    	ECAN - LIMET
PR:LAST_NAME                     	Verdoodt
PR:FIRST_NAME                    	Fien
PR:ADDRESS                       	Salisburylaan 133, Merelbeke, Flanders, 9820, Belgium
PR:EMAIL                         	fien.verdoodt@ugent.be
PR:PHONE                         	+32476076770
PR:FUNDING_SOURCE                	FWO
PR:PUBLICATIONS                  	Preprint available at https://doi.org/10.21203/rs.3.rs-8078706/v1
#STUDY
ST:STUDY_TITLE                   	Medium chain triglycerides induce metabolic shifts in dogs with idiopathic
ST:STUDY_TITLE                   	epilepsy: a multi-omics approach - plasma metabolome
ST:STUDY_TYPE                    	Double-blinded placebo controlled dietary trial in dogs - Plasma metabolome
ST:STUDY_SUMMARY                 	Plasma metabolome dataset - Background: Medium chain triglycerides (MCT) are a
ST:STUDY_SUMMARY                 	class of dietary lipids with proposed beneficial health effects in animals and
ST:STUDY_SUMMARY                 	humans alike. Their mechanism of action in specific applications, like epilepsy,
ST:STUDY_SUMMARY                 	remains however unclear. Therefore, the aim of this study was to identify
ST:STUDY_SUMMARY                 	alterations in the fecal and plasma metabolome and fecal microbiome in dogs with
ST:STUDY_SUMMARY                 	idiopathic epilepsy (IE) following an MCT diet. A double-blinded placebo
ST:STUDY_SUMMARY                 	controlled dietary trial including 32 dogs with drug-resistant IE was
ST:STUDY_SUMMARY                 	established. Dogs were randomly allocated to an MCT (n = 16) or placebo diet (n
ST:STUDY_SUMMARY                 	= 16) for 3 months. Feces and plasma were collected at the start and end of the
ST:STUDY_SUMMARY                 	dietary trial. The metabolome of plasma and feces were analysed using liquid
ST:STUDY_SUMMARY                 	chromatography coupled to high resolution mass spectrometry, and the fecal
ST:STUDY_SUMMARY                 	bacterial phylogeny was examined using 16S rRNA sequencing. Fecal metabolome,
ST:STUDY_SUMMARY                 	plasma metabolome and fecal microbiome data were integrated using the DIABLO
ST:STUDY_SUMMARY                 	framework. Results: The MCT diet elicited distinct metabolic adaptations and
ST:STUDY_SUMMARY                 	modulated gut microbial composition, notably characterized by alterations in
ST:STUDY_SUMMARY                 	histidine and energy metabolism, a reduction in Escherichia-Shigella, and an
ST:STUDY_SUMMARY                 	enrichment of genera including Ruminococcus and Faecalitalea. Multiple
ST:STUDY_SUMMARY                 	correlations were observed between significantly altered microbial taxa and
ST:STUDY_SUMMARY                 	fecal metabolites like e.g. 1-methylhistidine and creatine. Conclusion: Our
ST:STUDY_SUMMARY                 	findings demonstrate that a diet rich in MCT does not only support peripheral
ST:STUDY_SUMMARY                 	energy metabolism, evidenced by stable carnitine metabolites and reduced plasma
ST:STUDY_SUMMARY                 	threonine, but also reshapes microbial composition. Therefore, potential
ST:STUDY_SUMMARY                 	involvement of the microbiota–gut–brain axis in the mechanism of action for
ST:STUDY_SUMMARY                 	MCT in dogs with IE was underscored.
ST:INSTITUTE                     	Ghent University
ST:DEPARTMENT                    	DI11 - DI04
ST:LABORATORY                    	ECAN - LIMET
ST:LAST_NAME                     	Verdoodt
ST:FIRST_NAME                    	Fien
ST:ADDRESS                       	Salisburylaan 133
ST:EMAIL                         	fien.verdoodt@ugent.be
ST:PHONE                         	+32476076770
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	32
ST:NUM_MALES                     	20
ST:NUM_FEMALES                   	12
ST:STUDY_COMMENTS                	MCT vs placebo
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Canis lupus familiaris
SU:TAXONOMY_ID                   	9615
SU:AGE_OR_AGE_RANGE              	1-10 years old
SU:WEIGHT_OR_WEIGHT_RANGE        	5.1-52.4 kg
SU:GENDER                        	Male and female
SU:ANIMAL_ANIMAL_SUPPLIER        	pets
SU:ANIMAL_HOUSING                	at home (pets)
SU:ANIMAL_FEED                   	MCT-diet or isocaloric placebo diet
SU:ANIMAL_INCLUSION_CRITERIA     	idiopathic epilepsy Tier I (IVETF)
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	1	Dog1T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf023.raw; RAW_FILE_NAME(mzXML file name)=240924_sf023.mzXML; Sex=Fe; Breed=CV; Age=10; Weight=16.6; AgeGroup=geriatric; BCS=5
SUBJECT_SAMPLE_FACTORS           	1	Dog1T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf054.raw; RAW_FILE_NAME(mzXML file name)=240924_sf054.mzXML; Sex=Fe; Breed=CV; Age=10; Weight=16.6; AgeGroup=geriatric; BCS=5
SUBJECT_SAMPLE_FACTORS           	3	Dog3T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf067.raw; RAW_FILE_NAME(mzXML file name)=240924_sf067.mzXML; Sex=Ma; Breed=Franse bulldog; Age=2; Weight=16.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	3	Dog3T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf094.raw; RAW_FILE_NAME(mzXML file name)=240924_sf094.mzXML; Sex=Ma; Breed=Franse bulldog; Age=2; Weight=16.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	4	Dog4T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf043.raw; RAW_FILE_NAME(mzXML file name)=240924_sf043.mzXML; Sex=Fe; Breed=American Cocker Spaniel; Age=5; Weight=16.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	4	Dog4T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf048.raw; RAW_FILE_NAME(mzXML file name)=240924_sf048.mzXML; Sex=Fe; Breed=American Cocker Spaniel; Age=5; Weight=16.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	5	Dog5T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf077.raw; RAW_FILE_NAME(mzXML file name)=240924_sf077.mzXML; Sex=Ma; Breed=Cane corso italiano; Age=3; Weight=48.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	5	Dog5T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf140.raw; RAW_FILE_NAME(mzXML file name)=240924_sf140.mzXML; Sex=Ma; Breed=Cane corso italiano; Age=3; Weight=48.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	6	Dog6T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf119.raw; RAW_FILE_NAME(mzXML file name)=240924_sf119.mzXML; Sex=Ma; Breed=Australische herdershond; Age=7; Weight=24.8; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	6	Dog6T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf160.raw; RAW_FILE_NAME(mzXML file name)=240924_sf160.mzXML; Sex=Ma; Breed=Australische herdershond; Age=7; Weight=24.8; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	7	Dog7T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf035.raw; RAW_FILE_NAME(mzXML file name)=240924_sf035.mzXML; Sex=Ms; Breed=Engelse bulldog; Age=5; Weight=23.2; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	7	Dog7T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf161.raw; RAW_FILE_NAME(mzXML file name)=240924_sf161.mzXML; Sex=Ms; Breed=Engelse bulldog; Age=5; Weight=23.2; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	8	Dog8T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf056.raw; RAW_FILE_NAME(mzXML file name)=240924_sf056.mzXML; Sex=Ma; Breed=Shih Tzu; Age=7; Weight=8.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	8	Dog8T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf120.raw; RAW_FILE_NAME(mzXML file name)=240924_sf120.mzXML; Sex=Ma; Breed=Shih Tzu; Age=7; Weight=8.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	9	Dog9T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf041.raw; RAW_FILE_NAME(mzXML file name)=240924_sf041.mzXML; Sex=Ms; Breed=CV; Age=1; Weight=38.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	9	Dog9T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf125.raw; RAW_FILE_NAME(mzXML file name)=240924_sf125.mzXML; Sex=Ms; Breed=CV; Age=1; Weight=38.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	10	Dog10T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf064.raw; RAW_FILE_NAME(mzXML file name)=240924_sf064.mzXML; Sex=Ma; Breed=Dalmatiër; Age=2; Weight=33.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	10	Dog10T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf133.raw; RAW_FILE_NAME(mzXML file name)=240924_sf133.mzXML; Sex=Ma; Breed=Dalmatiër; Age=2; Weight=33.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	11	Dog11T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf052.raw; RAW_FILE_NAME(mzXML file name)=240924_sf052.mzXML; Sex=Ma; Breed=Rottweiler; Age=3; Weight=52.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	11	Dog11T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf146.raw; RAW_FILE_NAME(mzXML file name)=240924_sf146.mzXML; Sex=Ma; Breed=Rottweiler; Age=3; Weight=52.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	12	Dog12T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf065.raw; RAW_FILE_NAME(mzXML file name)=240924_sf065.mzXML; Sex=Fs; Breed=Friese stabij; Age=7; Weight=16.5; AgeGroup=senior; BCS=4
SUBJECT_SAMPLE_FACTORS           	12	Dog12T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf123.raw; RAW_FILE_NAME(mzXML file name)=240924_sf123.mzXML; Sex=Fs; Breed=Friese stabij; Age=7; Weight=16.5; AgeGroup=senior; BCS=4
SUBJECT_SAMPLE_FACTORS           	13	Dog13T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf081.raw; RAW_FILE_NAME(mzXML file name)=240924_sf081.mzXML; Sex=Ma; Breed=Franse bulldog; Age=8; Weight=13; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	13	Dog13T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf141.raw; RAW_FILE_NAME(mzXML file name)=240924_sf141.mzXML; Sex=Ma; Breed=Franse bulldog; Age=8; Weight=13; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	16	Dog16T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf084.raw; RAW_FILE_NAME(mzXML file name)=240924_sf084.mzXML; Sex=Fs; Breed=Jack Russel terrier; Age=7; Weight=7.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	16	Dog16T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf151.raw; RAW_FILE_NAME(mzXML file name)=240924_sf151.mzXML; Sex=Fs; Breed=Jack Russel terrier; Age=7; Weight=7.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	17	Dog17T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf028.raw; RAW_FILE_NAME(mzXML file name)=240924_sf028.mzXML; Sex=Ma; Breed=Cane Corso Italiano; Age=3; Weight=49; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	17	Dog17T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf148.raw; RAW_FILE_NAME(mzXML file name)=240924_sf148.mzXML; Sex=Ma; Breed=Cane Corso Italiano; Age=3; Weight=49; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	18	Dog18T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf055.raw; RAW_FILE_NAME(mzXML file name)=240924_sf055.mzXML; Sex=Fe; Breed=Engelse Cocker spaniel; Age=2; Weight=17.3; AgeGroup=adult; BCS=7
SUBJECT_SAMPLE_FACTORS           	18	Dog18T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf083.raw; RAW_FILE_NAME(mzXML file name)=240924_sf083.mzXML; Sex=Fe; Breed=Engelse Cocker spaniel; Age=2; Weight=17.3; AgeGroup=adult; BCS=7
SUBJECT_SAMPLE_FACTORS           	19	Dog19T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf106.raw; RAW_FILE_NAME(mzXML file name)=240924_sf106.mzXML; Sex=Ma; Breed=Golden retriever; Age=8; Weight=38.3; AgeGroup=geriatric; BCS=7
SUBJECT_SAMPLE_FACTORS           	19	Dog19T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf124.raw; RAW_FILE_NAME(mzXML file name)=240924_sf124.mzXML; Sex=Ma; Breed=Golden retriever; Age=8; Weight=38.3; AgeGroup=geriatric; BCS=7
SUBJECT_SAMPLE_FACTORS           	20	Dog20T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf069.raw; RAW_FILE_NAME(mzXML file name)=240924_sf069.mzXML; Sex=Ma; Breed=Border Collie; Age=8; Weight=28; AgeGroup=geriatric; BCS=6
SUBJECT_SAMPLE_FACTORS           	20	Dog20T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf162.raw; RAW_FILE_NAME(mzXML file name)=240924_sf162.mzXML; Sex=Ma; Breed=Border Collie; Age=8; Weight=28; AgeGroup=geriatric; BCS=6
SUBJECT_SAMPLE_FACTORS           	21	Dog21T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf038.raw; RAW_FILE_NAME(mzXML file name)=240924_sf038.mzXML; Sex=Fs; Breed=Duitse staander; Age=4; Weight=32; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	21	Dog21T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf112.raw; RAW_FILE_NAME(mzXML file name)=240924_sf112.mzXML; Sex=Fs; Breed=Duitse staander; Age=4; Weight=32; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	24	Dog24T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf070.raw; RAW_FILE_NAME(mzXML file name)=240924_sf070.mzXML; Sex=Fs; Breed=Sint Bernard; Age=3; Weight=60.8; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	24	Dog24T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf079.raw; RAW_FILE_NAME(mzXML file name)=240924_sf079.mzXML; Sex=Fs; Breed=Sint Bernard; Age=3; Weight=60.8; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	25	Dog25T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf062.raw; RAW_FILE_NAME(mzXML file name)=240924_sf062.mzXML; Sex=Fs; Breed=Border Collie; Age=1; Weight=21.55; AgeGroup=adult; BCS=4
SUBJECT_SAMPLE_FACTORS           	25	Dog25T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf132.raw; RAW_FILE_NAME(mzXML file name)=240924_sf132.mzXML; Sex=Fs; Breed=Border Collie; Age=1; Weight=21.55; AgeGroup=adult; BCS=4
SUBJECT_SAMPLE_FACTORS           	26	Dog26T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf021.raw; RAW_FILE_NAME(mzXML file name)=240924_sf021.mzXML; Sex=Ms; Breed=Border Collie; Age=5; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	26	Dog26T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf092.raw; RAW_FILE_NAME(mzXML file name)=240924_sf092.mzXML; Sex=Ms; Breed=Border Collie; Age=5; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	27	Dog27T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf071.raw; RAW_FILE_NAME(mzXML file name)=240924_sf071.mzXML; Sex=Ma; Breed=Zwitserse Witte herder; Age=1; Weight=38.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	27	Dog27T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf122.raw; RAW_FILE_NAME(mzXML file name)=240924_sf122.mzXML; Sex=Ma; Breed=Zwitserse Witte herder; Age=1; Weight=38.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	28	Dog28T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf066.raw; RAW_FILE_NAME(mzXML file name)=240924_sf066.mzXML; Sex=Fs; Breed=Australische Herdershond; Age=6; Weight=28.3; AgeGroup=senior; BCS=7
SUBJECT_SAMPLE_FACTORS           	28	Dog28T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf147.raw; RAW_FILE_NAME(mzXML file name)=240924_sf147.mzXML; Sex=Fs; Breed=Australische Herdershond; Age=6; Weight=28.3; AgeGroup=senior; BCS=7
SUBJECT_SAMPLE_FACTORS           	29	Dog29T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf026.raw; RAW_FILE_NAME(mzXML file name)=240924_sf026.mzXML; Sex=Ma; Breed=Poedel Middenslag; Age=7; Weight=5.1; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	29	Dog29T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf096.raw; RAW_FILE_NAME(mzXML file name)=240924_sf096.mzXML; Sex=Ma; Breed=Poedel Middenslag; Age=7; Weight=5.1; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	30	Dog30T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf022.raw; RAW_FILE_NAME(mzXML file name)=240924_sf022.mzXML; Sex=Ms; Breed=Yorkshire Terrier; Age=9; Weight=7.5; AgeGroup=senior; BCS=6
SUBJECT_SAMPLE_FACTORS           	30	Dog30T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf118.raw; RAW_FILE_NAME(mzXML file name)=240924_sf118.mzXML; Sex=Ms; Breed=Yorkshire Terrier; Age=9; Weight=7.5; AgeGroup=senior; BCS=6
SUBJECT_SAMPLE_FACTORS           	33	Dog33T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf110.raw; RAW_FILE_NAME(mzXML file name)=240924_sf110.mzXML; Sex=Ma; Breed=Teckel; Age=5; Weight=10.9; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	33	Dog33T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf152.raw; RAW_FILE_NAME(mzXML file name)=240924_sf152.mzXML; Sex=Ma; Breed=Teckel; Age=5; Weight=10.9; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	34	Dog34T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf104.raw; RAW_FILE_NAME(mzXML file name)=240924_sf104.mzXML; Sex=Ms; Breed=Border Collie; Age=2; Weight=24.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	34	Dog34T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf138.raw; RAW_FILE_NAME(mzXML file name)=240924_sf138.mzXML; Sex=Ms; Breed=Border Collie; Age=2; Weight=24.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	35	Dog35T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf063.raw; RAW_FILE_NAME(mzXML file name)=240924_sf063.mzXML; Sex=Fs; Breed=CV; Age=2; Weight=8.7; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	35	Dog35T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf163.raw; RAW_FILE_NAME(mzXML file name)=240924_sf163.mzXML; Sex=Fs; Breed=CV; Age=2; Weight=8.7; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	37	Dog37T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf034.raw; RAW_FILE_NAME(mzXML file name)=240924_sf034.mzXML; Sex=Ma; Breed=Schnauzer middenslag; Age=4; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	37	Dog37T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf078.raw; RAW_FILE_NAME(mzXML file name)=240924_sf078.mzXML; Sex=Ma; Breed=Schnauzer middenslag; Age=4; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	38	Dog38T0	Sample source:plasma | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf076.raw; RAW_FILE_NAME(mzXML file name)=240924_sf076.mzXML; Sex=Fe; Breed=American Staffordshire terrier; Age=2; Weight=30; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	38	Dog38T3	Sample source:plasma | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf149.raw; RAW_FILE_NAME(mzXML file name)=240924_sf149.mzXML; Sex=Fe; Breed=American Staffordshire terrier; Age=2; Weight=30; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	39	Dog39T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf053.raw; RAW_FILE_NAME(mzXML file name)=240924_sf053.mzXML; Sex=Fs; Breed=Vizsla; Age=1; Weight=15.4; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	39	Dog39T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf098.raw; RAW_FILE_NAME(mzXML file name)=240924_sf098.mzXML; Sex=Fs; Breed=Vizsla; Age=1; Weight=15.4; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	42	Dog42T3	Sample source:plasma | Diet:Pl | Timepoint:3	RAW_FILE_NAME(RAW file name2)=240924_sf037.raw; RAW_FILE_NAME(mzXML file name)=240924_sf037.mzXML; Sex=Ma; Breed=Beagle; Age=2; Weight=21.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	42	Dog42T0	Sample source:plasma | Diet:Pl | Timepoint:0	RAW_FILE_NAME(RAW file name2)=240924_sf050.raw; RAW_FILE_NAME(mzXML file name)=240924_sf050.mzXML; Sex=Ma; Breed=Beagle; Age=2; Weight=21.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	blank	blank1	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf032_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf032_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank2	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf046_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf046_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank3	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf060_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf060_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank4	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf074_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf074_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank5	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf088_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf088_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank6	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf102_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf102_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank7	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf116_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf116_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank8	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf130_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf130_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank9	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf144_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf144_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank10	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf158_Blank.raw; RAW_FILE_NAME(mzXML file name)=240924_sf158_Blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC01	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf016_QC0_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf016_QC0_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC02	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf017_QC0_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf017_QC0_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC03	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf018_QC0_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf018_QC0_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC04	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf019_QC0_4.raw; RAW_FILE_NAME(mzXML file name)=240924_sf019_QC0_4.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC11	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf030_QC1_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf030_QC1_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC13	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf033_QC1_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf033_QC1_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC21	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf044_QC2_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf044_QC2_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC23	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf047_QC2_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf047_QC2_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC31	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf058_QC3_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf058_QC3_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC33	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf061_QC3_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf061_QC3_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC41	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf072_QC4_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf072_QC4_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC43	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf075_QC4_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf075_QC4_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC51	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf086_QC5_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf086_QC5_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC53	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf089_QC5_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf089_QC5_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC61	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf100_QC6_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf100_QC6_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC63	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf103_QC6_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf103_QC6_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC71	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf114_QC7_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf114_QC7_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC73	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf117_QC7_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf117_QC7_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC81	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf128_QC8_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf128_QC8_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC83	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf131_QC8_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf131_QC8_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC91	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf142_QC9_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf142_QC9_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC93	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf145_QC9_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf145_QC9_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC101	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf156_QC10_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf156_QC10_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC103	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf159_QC10_3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf159_QC10_3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC1	QC111	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf164_QC11_1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf164_QC11_1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC12	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf031_QC1_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf031_QC1_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC22	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf045_QC2_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf045_QC2_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC32	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf059_QC3_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf059_QC3_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC42	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf073_QC4_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf073_QC4_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC52	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf087_QC5_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf087_QC5_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC62	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf101_QC6_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf101_QC6_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC72	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf115_QC7_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf115_QC7_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC82	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf129_QC8_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf129_QC8_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC92	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf143_QC9_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf143_QC9_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC102	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf157_QC10_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf157_QC10_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	QC2	QC112	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf165_QC11_2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf165_QC11_2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 1	STD 1.0	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf002_std1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf002_std1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 1	STD 1.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf003_std1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf003_std1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 1	STD 1.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf166_std1.raw; RAW_FILE_NAME(mzXML file name)=240924_sf166_std1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 10	STD 10.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf012_std10.raw; RAW_FILE_NAME(mzXML file name)=240924_sf012_std10.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 10	STD 10.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf175_std10.raw; RAW_FILE_NAME(mzXML file name)=240924_sf175_std10.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 2	STD 2.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf004_std2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf004_std2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 2	STD 2.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf167_std2.raw; RAW_FILE_NAME(mzXML file name)=240924_sf167_std2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 3	STD 3.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf005_std3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf005_std3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 3	STD 3.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf168_std3.raw; RAW_FILE_NAME(mzXML file name)=240924_sf168_std3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 4	STD 4.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf006_std4.raw; RAW_FILE_NAME(mzXML file name)=240924_sf006_std4.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 4	STD 4.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf169_std4.raw; RAW_FILE_NAME(mzXML file name)=240924_sf169_std4.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 5	STD 5.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf007_std5.raw; RAW_FILE_NAME(mzXML file name)=240924_sf007_std5.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 5	STD 5.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf170_std5.raw; RAW_FILE_NAME(mzXML file name)=240924_sf170_std5.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 6	STD 6.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf008_std6.raw; RAW_FILE_NAME(mzXML file name)=240924_sf008_std6.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 6	STD 6.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf171_std6.raw; RAW_FILE_NAME(mzXML file name)=240924_sf171_std6.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 7	STD 7.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf009_std7.raw; RAW_FILE_NAME(mzXML file name)=240924_sf009_std7.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 7	STD 7.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf172_std7.raw; RAW_FILE_NAME(mzXML file name)=240924_sf172_std7.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 8	STD 8.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf010_std8.raw; RAW_FILE_NAME(mzXML file name)=240924_sf010_std8.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 8	STD 8.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf173_std8.raw; RAW_FILE_NAME(mzXML file name)=240924_sf173_std8.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 9	STD 9.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf011_std9.raw; RAW_FILE_NAME(mzXML file name)=240924_sf011_std9.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD 9	STD 9.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf174_std9.raw; RAW_FILE_NAME(mzXML file name)=240924_sf174_std9.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD epi	STD epi.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf014_stdEpi.raw; RAW_FILE_NAME(mzXML file name)=240924_sf014_stdEpi.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD epi	STD epi.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf177_stdEpi.raw; RAW_FILE_NAME(mzXML file name)=240924_sf177_stdEpi.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD Fien	STD Fien.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf013_stdF.raw; RAW_FILE_NAME(mzXML file name)=240924_sf013_stdF.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	STD Fien	STD Fien.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name2)=240924_sf176_stdF.raw; RAW_FILE_NAME(mzXML file name)=240924_sf176_stdF.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
#COLLECTION
CO:COLLECTION_SUMMARY            	Pre-prandial plasma samples were collected at T0 and T3, after an 8-hour fast,
CO:COLLECTION_SUMMARY            	centrifuged, aliquoted and flash frozen using liquid nitrogen, prior to storage
CO:COLLECTION_SUMMARY            	at -80°C until metabolome analysis. T0 = Before the start of the
CO:COLLECTION_SUMMARY            	placebo-controlled dietary trial. All dogs did receive an identical, adult
CO:COLLECTION_SUMMARY            	maintenance diet for at least 21 days before the collection of T0 samples. T3 =
CO:COLLECTION_SUMMARY            	At the end of the placebo-controlled dietary trial, i.e. following 3 months on
CO:COLLECTION_SUMMARY            	either placebo or medium chain triglycerides (MCT) diet. (NOTE: Fe=female
CO:COLLECTION_SUMMARY            	entire, Fs=female spayed, Ma=male intact, Ms=male neutered; BCS=body condition
CO:COLLECTION_SUMMARY            	score 1-9)
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:COLLECTION_METHOD             	Blood collection by veterinarian
CO:COLLECTION_LOCATION           	Small Animal Department - Ghent University - Merelbeke
CO:COLLECTION_FREQUENCY          	twice per dog (T0 and T3)
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Heparine
CO:STORAGE_VIALS                 	Cryotubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Medium chain triglyceride diet OR isocaloric placebo diet (containing long chain
TR:TREATMENT_SUMMARY             	triglycerides)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	To extract the polar plasma metabolome, 150 µl of plasma was mixed with 600 µl
SP:SAMPLEPREP_SUMMARY            	of methanol/acetonitril/aceton (1:1:1) solvens, after the addition of 10 µL
SP:SAMPLEPREP_SUMMARY            	ISTD mixture (20 ng/µl of tyrosine-d2, phenylalanine-d2, deoxycholic acid-d4,
SP:SAMPLEPREP_SUMMARY            	l-alanine-d3 and dopamine-d4). Subsequent to 2 min of thorough vortexing,
SP:SAMPLEPREP_SUMMARY            	proteins were precipitated for 30 min at 4°C.The supernatant of the
SP:SAMPLEPREP_SUMMARY            	liquid-liquid extraction was collected after a 10-min centrifugation step (15
SP:SAMPLEPREP_SUMMARY            	000 x g, at 4 %C). Next, the extract was evaporated to dryness using a
SP:SAMPLEPREP_SUMMARY            	N-evaporator. The residue was diluted in 200 µl of ultrapure water, vortexed
SP:SAMPLEPREP_SUMMARY            	for 30 sec and centrifugated(10 min, 15 000 x g, at 4°C), before transferring
SP:SAMPLEPREP_SUMMARY            	to a glass HPLCvial with insert.
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACTION_METHOD             	liquid-liquid
SP:EXTRACT_STORAGE               	4℃
SP:SAMPLE_RESUSPENSION           	ultrapure water
SP:SAMPLE_SPIKING                	ISTD
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Reversed phase Chromatography
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	A gradient profile with following proportions (v/v) of solvent A was applied:
CH:FLOW_GRADIENT                 	0e1.5 min at 98%, 1.5e7.0 min from 98% to 75%, 7.0e8.0 min from 75% to 40%,
CH:FLOW_GRADIENT                 	8.0e12.0 min from 40% to 5%, 12.0e14.0 min at 5%, 14.0e14.1 min from 5 to 98%,
CH:FLOW_GRADIENT                 	followed by 4.0 min of re-equilibration.
CH:FLOW_RATE                     	0.4 ml/min
CH:COLUMN_TEMPERATURE            	45
CH:METHODS_ID                    	CH003650
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	LIMET
AN:ACQUISITION_DATE              	24/09/2024
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	MS acquisition: Xcalibur, polarity switching mode, according to De Paepe et al,
MS:MS_COMMENTS                   	2018 Targeted data processing: TARDIS Untargeted data acquisition: Compound
MS:MS_COMMENTS                   	Discoverer, R studio
MS:CAPILLARY_VOLTAGE             	90 V
MS:IONIZATION                    	Positive
MS:SPRAY_VOLTAGE                 	+ 5 kV
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	iQC normalized AUC
MS_METABOLITE_DATA_START
Samples	Dog26T0	Dog30T3	Dog1T3	Dog29T3	Dog17T3	Dog37T3	Dog7T0	Dog42T3	Dog21T3	Dog9T3	Dog4T0	Dog4T3	Dog42T0	Dog11T0	Dog39T3	Dog1T0	Dog18T3	Dog8T3	Dog25T0	Dog35T0	Dog10T0	Dog12T0	Dog28T3	Dog3T0	Dog20T0	Dog24T3	Dog27T3	Dog38T0	Dog5T0	Dog37T0	Dog24T0	Dog13T0	Dog18T0	Dog16T3	Dog26T3	Dog3T3	Dog29T0	Dog39T0	Dog34T0	Dog19T0	Dog33T0	Dog21T0	Dog30T0	Dog6T0	Dog8T0	Dog27T0	Dog12T3	Dog19T3	Dog9T0	Dog25T3	Dog10T3	Dog34T3	Dog5T3	Dog13T3	Dog11T3	Dog28T0	Dog17T0	Dog38T3	Dog16T0	Dog33T3	Dog6T3	Dog7T3	Dog20T3	Dog35T3
Factors	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:0	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:0	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:Pl | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3	Sample source:plasma | Diet:MCT | Timepoint:3
1H-Indole-3-carboxaldehyde	1.60456348	1.102281083	1.743812086	0.604162259	1.084819343	0.351390901	1.935816224	0.538241043	0.902502709	0.87147929	20.65273554	1.804359572	0.604578983	1.700873544	2.324553921	1.685964276	0.678025063	1.069973791	1.18022372	3.082193171	4.040564997	2.495893458	0.559794641	1.407119888	1.907295295	0.912971062	1.152539001	0.700501415	6.56135345	0.336008197	3.613688741	4.649026901	24.63744017	2.104231646	0.43502085	0.401055657	1.142009395	0.688911935	1.241399422	0.585323274	2.336831039	2.17941927	0.627567065	1.707798944	3.46152181	2.479360869	1.875276412	0.376959559	1.315618346	1.407691993	0.702692892	1.15148585	1.11683549	0.244123769	0.364115729	0.498375248	2.523683918	0.73668744	5.887075939	1.618983138	1.30707822	0.461191431	0.272644111	1.773855074
1-Methylhistidine	1.658949447	1.077476636	1.645929985	0.673876237	1.020695702	1.229846025	1.190576199	0.769088596	0.817148634	1.112765921	1.308090105	0.787148929	0.775300686	1.118487894	1.285705512	0.830361797	0.920819771	1.361073037	1.235897755	0.681690586	1.488848513	0.9970842	0.461836511	0.970201677	0.390154966	2.131505363	1.406613396	1.656791434	2.280594752	1.765340416	0.949597438	1.038037369	1.234166372	0.758734318	1.272738379	1.013582795	0.602282997	1.310855921	0.7522795	1.02475107	0.533885671	0.96281126	1.030799174	0.667287073	0.567532534	1.414707115	1.023757215	0.909166744	1.45607164	1.692880034	1.264807223	0.824770742	1.323963947	0.866476715	1.098024156	0.528360817	0.878345514	1.464517867	1.15141037	0.589982036	0.731817836	0.752877922	0.56351994	1.286733893
2-Deoxy-glucose	1.482523956	1.124587698	1.68923965	2.201774001	0.232471519	0.740935903	1.568875192	0.502690111	1.123985081	1.458544086	4.02172759	2.042648095	0.696246349	0.87296066	1.393983232	1.744073999	0.854679513	1.263585886	1.996187966	1.537890558	1.453263705	1.294229574	0.769437945	0.892796129	1.11858754	1.805615476	0.843816013	1.059000887	2.299085704	1.566486379	1.398732347	1.517936116	1.264456259	1.290811403	0.945068391	0.989154207	1.399326481	1.481910337	1.538582865	0.970998832	0.385920167	1.828946741	1.044811855	1.921639277	1.831875825	0.795337753	1.279787312	0.969880165	1.521738055	1.581558499	1.239073601	1.380474863	1.490826225	1.020639768	0.793204224	1.06093188	0.431050981	1.030431474	2.159028091	0.254806094	1.591843735	1.982532605	1.004616336	1.366756178
3-Dehydroxycarnitine	1.223112593	1.092040792	1.712765035	0.820527366	1.53680322	0.806006598	1.014770641	1.164791093	1.213340372	1.397134859	0.777651799	0.815673467	1.051866478	1.028432207	1.320207937	1.499939303	0.752053454	0.868370858	1.134624516	1.214976302	0.912335031	1.361823278	1.116259304	1.550436585	0.922185306	1.558896178	0.853222674	1.595308459	2.080147285	0.953338004	0.828064454	1.240431927	1.100687657	2.100974331	1.223443946	1.331028068	0.536421797	1.267093698	0.78094152	0.698759423	1.531129885	1.43679177	0.848611009	2.77454656	0.963265354	0.643957298	1.344798183	0.767579208	1.298594173	1.191779951	1.18853981	1.006896629	2.051150339	1.21541263	1.238463036	0.796443496	1.065432691	1.246976556	1.473416538	1.879084465	3.6722658	1.268051973	0.88488368	0.865636464
3-Indolepropionic acid	1.253254886	0.062813049	1.892598293	0.593319932	3.038197194	0.020646536	3.940759027	3.492183307	0.30583146	0.567397245	4.761211963	0.985549198	2.675005907	0.5095886	0.624657719	0.634741228	0.849494083	1.179042757	2.849307132	0.775159541	2.245266067	0.502678675	0.57368134	0.025006008	1.016095318	1.076041274	1.782380888	3.072003353	1.109129442	0.000518062	0.641527596	1.912243298	2.306886805	0.235886787	4.874667774	1.331848134	0.047647682	0.980606837	2.361375766	1.902206906	0.351491967	0.943425246	0.067515481	2.128271935	1.639781261	3.781650175	1.012842034	0.433352828	2.627253367	0.994803769	2.29814441	2.030354265	0.710375264	1.922575359	0.468684789	1.675461456	2.106416512	2.656274867	2.076664139	0.281745275	1.802403987	0.983945143	0.69130437	1.40438859
3-Methyl 2-oxobutyric acid	0.932989939	1.507545336	0.979762701	1.169542996	1.45019105	1.519427223	0.8360941	1.204811363	0.947014758	1.580734362	0.110227828	1.877040384	1.619865801	1.228740906	1.257093331	1.416673941	1.086702702	1.260394614	1.402635193	1.461798014	0.201087078	0.52371154	1.071894439	0.90114572	1.389355865	0.779159065	0.658352544	1.249408615	0.104427431	1.770577049	1.31245012	0.013638033	0.01377576	1.417112324	1.522244505	0.938251944	1.53748827	1.544400063	1.289692819	1.693837749	1.130424086	0.318309784	1.56076982	1.423422103	1.952361156	0.906223049	1.544179518	1.236825888	1.515643052	0.82604924	1.46290233	1.48722389	0.979268507	1.484727463	0.831721	1.183070714	0.855899158	1.012279904	0.023746916	0.81283237	1.055641736	1.400449662	1.142142316	1.032861501
5-Aminopentanoic acid	1.451419211	1.199971811	1.326244112	1.355137901	1.304151919	0.714530203	0.816611575	0.832865333	1.311816386	1.627179737	1.506782067	1.330774694	0.906351202	1.029114026	0.761154986	0.786673177	1.048810779	0.794171998	1.19975107	0.76545806	1.112678535	1.347805635	1.014191661	1.184321828	0.999163277	1.40556949	0.976125429	1.173896197	1.731920627	0.92050948	1.060987617	1.176173713	1.528599795	0.996676597	1.195777918	1.264036966	0.954378227	0.985688799	1.144546436	1.090488266	1.38185593	1.014641702	1.033146103	1.661092362	0.93094176	1.139885142	1.384526248	1.039955343	1.858363495	1.202741564	1.487415588	1.351446872	1.4408448	1.104604307	1.091914599	0.788279826	1.256508455	1.006339999	1.004263818	1.311730477	1.465096534	0.912864564	0.843350315	0.849225499
5-Hydroxyindoleacetic acid	1.458645208	2.61478982	0.840616812	1.268243229	1.776499596	1.041326079	1.210016249	1.481022384	0.621758551	1.331504867	1.19256311	1.218585149	1.60274703	0.918856921	0.935029303	0.843073532	1.53352494	0.91623069	1.382426258	1.279000415	0.81905467	1.255129588	1.195611543	0.608204268	0.463635962	1.587317266	1.130344181	1.628829687	1.202629595	0.979465412	0.829543307	0.350924975	0.258357362	0.734000035	1.833491151	1.304014532	0.881284649	1.366735171	1.746164714	1.175916629	1.500527091	0.609911665	3.06600685	1.201964745	0.759556041	1.376604651	0.873238157	0.928170919	1.890716907	1.550148641	1.671111052	1.348250599	1.297561986	1.119447498	1.474955577	1.386859003	1.609904954	1.963873736	1.007562742	1.067824067	1.400064985	1.980219957	1.293695705	1.482265738
Adenine	1.510442917	1.185960658	1.045053241	2.235328806	0.678138449	1.075626089	1.012361469	0.789153763	1.245114053	0.746622084	3.352927802	0.393892113	0.90881121	0.548199556	1.959152004	0.567471998	1.000930471	1.011974324	0.867959256	1.846809502	2.491089607	0.74993183	1.57120943	2.4633645	0.606469004	0.74295928	0.730502027	0.813775931	2.007010785	1.509094921	1.775461782	2.49063185	1.674277719	4.07003693	1.582543789	2.070787967	2.430818601	1.937833616	0.9874983	0.358041393	1.64799807	0.908650678	1.326598274	0.922054127	0.661384574	0.509412934	1.342066209	0.692996253	1.472096422	0.547206726	0.844461131	0.694833697	0.964689975	0.926616693	0.553675549	1.015426872	0.459940369	0.830962992	1.614608951	0.846895664	1.323104125	0.955549276	0.606142186	1.309136072
Adenosine	0.028913919	0.701849389	0.38985691	0.118506425	0.725860074	0.771122365	0.08362213	0.123556313	1.633764923	1.077332433	3.260406339	0.102664917	0.159676247	0.032469547	2.612703786	0.28300843	2.394338279	1.133795091	1.357365805	0.304996929	4.162379183	0.019979307	2.033595566	0.123372311	0.046279267	1.239216116	0.696787207	1.221404266	0.958754987	0.206088829	0.04519992	1.918842268	1.858430147	0.342308722	0.967430112	1.207584033	0.120795759	0.379597366	0.962308867	0.813742496	3.314194412	0.032166463	1.255902166	0.812647553	0.027399145	0.021819868	2.428770832	0.789242324	2.18551583	2.44841447	1.231207596	0.908719801	0.902912683	0.831178368	0.142973089	2.199058088	0.020580175	0.402414116	1.281788405	1.1795521	1.408822908	0.952735396	1.364754604	1.096398891
Alanine	0.594657395	1.076449061	1.043897577	1.068729521	1.374222468	0.667146102	1.638431191	1.368454348	0.725835043	1.020097667	1.215948473	1.705709693	2.74688E-05	1.038059293	0.571784331	2.74688E-05	0.929512625	0.695510709	1.597752272	1.344590418	1.247859869	1.352360819	1.41762336	1.592037203	1.430164424	0.762290068	1.066740587	1.533307619	0.909624806	0.964296209	1.438042829	1.415578783	1.572985096	1.038131694	1.746447541	7.29055E-05	1.465971798	0.987517179	3.89717E-05	1.022466317	0.940257453	1.090882823	0.785849316	1.123290791	1.135265656	0.46151215	0.976077814	0.247624189	0.694939087	1.484516871	0.826029172	0.907284636	0.762374117	1.235483282	3.89394E-05	0.918080941	0.995584124	0.881786208	0.719711446	0.473799404	0.63268348	1.116332906	1.154102918	0.807286073
Alfa-amino butyric acid	1.450821828	1.271477739	1.125997268	0.805249348	0.758284442	0.788779967	0.791205484	1.221134354	2.0493066	1.842542785	1.645236863	1.733858457	0.942855359	0.61490043	1.469876688	1.092107623	0.707043636	0.64518073	0.920028933	1.227575784	1.182075341	1.693018331	1.110175904	1.875144603	1.22156912	0.861911922	1.271681346	1.080712246	0.890429266	1.222141295	1.132941294	0.64783404	1.587842343	1.174688845	1.226183128	0.776780257	0.679709252	1.53616978	1.300692391	1.498727267	1.075722388	1.641910013	1.232805209	1.049152014	0.766065501	1.510817517	1.480992547	0.977806046	1.036067814	0.831545109	0.793858021	1.253727999	0.975013275	0.77300787	0.639222404	0.683455805	0.50340361	1.008904795	0.951327556	0.741490391	1.387528501	0.928340223	0.871990813	0.728088337
Arginine	0.864245683	1.417930218	1.087006051	0.758728365	0.997154901	0.64544191	0.735166541	0.883111771	1.001173953	0.578738651	1.139321704	0.849856132	0.941159244	1.080139976	0.939245547	0.836566754	1.054557178	0.78116425	0.770819856	0.974067902	1.38348567	1.789526989	1.181716326	0.94014532	0.904386228	1.241155839	0.843137426	0.864231982	1.627868104	0.547587413	0.528195002	0.735898085	1.169950389	1.065534924	0.644458339	1.142064317	0.510592267	0.90147617	0.662071602	0.757197152	1.176298177	1.220062382	0.977551332	0.880764665	0.726821981	0.885392512	1.388422952	0.825232801	1.271276849	1.113777572	0.873651389	0.79921104	1.486591038	0.715932428	1.067988376	0.794929119	0.902610754	0.993802727	1.447740502	1.202376581	1.073030514	0.543699693	0.887346268	1.107627443
Asp-Phe	1.259611409	2.245912719	2.422910395	1.484621657	0.947652418	1.217867064	1.231673378	0.865912137	1.065737949	1.088214772	3.16200049	1.317980621	1.109899296	0.554244976	0.029402496	1.271574265	1.147596325	1.70620565	1.103839972	1.474446372	1.333270328	2.545237144	1.035313981	1.389276342	0.391282365	1.697583758	1.19378244	1.528443221	1.69021915	0.668504195	0.62349493	0.760158635	2.293485079	1.512804494	1.002637401	1.001017474	0.492950874	1.001054079	1.108491149	1.537936452	0.208862884	0.88682404	1.014757527	1.027856775	0.714943364	1.526807982	1.611685857	1.632877083	1.233358588	1.439141851	0.754670145	1.084828929	1.030047826	1.003035781	0.678237324	0.812439187	0.453731456	2.322811348	1.019555082	0.609668853	0.833511585	1.792084014	0.876409107	1.931385045
Biotin	0.514562479	1.713244607	0.648994452	1.130724321	2.169857084	0.034775111	1.448705026	1.776508296	0.646417872	0.440521914	5.023849537	2.039704486	1.277071969	0.848519117	0.32557748	1.098300334	0.713656885	1.014519662	0.272522796	1.790501453	6.280339184	0.448119005	0.92753907	0.883650769	2.271290431	0.964309159	0.87085644	0.032459774	1.483513831	0.802094503	1.171707063	1.010629196	1.739148773	0.743115427	0.751275627	0.71448452	0.811081243	0.862436053	1.06236038	1.638296939	2.540265273	1.152776782	0.903556431	0.494573793	1.527848273	0.984242511	0.801277874	0.438623343	0.962806576	1.396431365	0.737157005	1.077421624	1.180438743	1.19991271	1.065532403	1.514385956	1.907066393	0.540651974	2.017322173	1.657806104	0.785099898	1.555074402	1.710216322	2.030150864
CAR 16:0	1.07884529	1.239531824	1.132851753	1.312039771	2.776631428	1.456047524	0.896528523	0.823397628	0.794011839	1.378352861	4.95054527	0.96154921	1.428581721	2.187664307	1.676331464	1.636861477	0.78978057	0.852911808	1.199523787	1.826457946	3.526287419	1.570267716	1.401882945	1.213275559	1.587733241	1.175309432	0.685362689	1.809929063	2.341213074	2.408525436	2.385995177	1.613745792	1.565892312	1.590025183	1.523240874	0.605051513	1.589611726	2.137853717	0.55293141	0.890361836	1.016109715	0.889708632	1.994333517	1.866639771	1.040646195	0.97373144	1.11243665	0.873524443	0.85651551	0.38961263	0.845336141	0.726794503	1.365814221	1.612114084	1.133479614	1.171045832	2.108185307	0.581327	5.248630089	0.90307671	1.982002655	1.492972085	0.660410799	0.861485193
CAR 2:0	0.947685088	1.303406894	1.098250576	1.127664292	0.538922644	0.829116576	0.571973003	0.901903045	1.002631485	1.85009739	1.320353137	1.655531954	1.192889898	0.365573066	1.039711692	1.454852615	0.943648419	0.728142303	0.772614333	1.838721281	0.915478599	1.15045855	1.330277332	0.461409202	0.43862883	1.551336697	1.530676791	1.58973605	0.518769194	1.782493001	1.791960182	0.442760999	0.628842648	1.669461737	1.247394844	0.689202	1.517824424	1.365865537	0.958449626	1.156065281	0.768311108	0.80118707	1.767899259	1.145879122	0.505548647	1.150395576	1.269266392	1.022799909	1.547998972	0.925622822	1.272219725	0.992005276	0.846988173	0.803499344	0.492452071	0.808880028	0.531415431	1.045998692	0.632926604	0.361898883	1.4261353	0.886838697	0.465620137	1.36654667
CAR 6:0	0.891595811	1.086805635	1.58178199	1.449214489	0.635990361	0.933592718	0.767577154	0.939579613	0.780902857	1.577736693	3.388068381	1.420243719	1.136689895	0.440745355	0.776801171	1.231966071	1.154890159	1.510163021	0.424028993	1.049988826	1.271427741	0.846147171	1.058031445	0.668750657	0.630018188	0.373566568	4.272702151	1.126905821	1.107124818	2.856289113	2.081425527	0.596579021	0.796822433	2.184392686	1.090885314	0.506492733	1.877968404	0.877951998	0.636716849	0.820856181	1.137460453	0.428121444	1.958198521	0.782446955	0.790083154	1.10884268	0.751996709	1.054068786	0.754737869	1.183622155	1.722651053	0.523349597	0.468382315	0.482684799	0.720138016	0.804634063	0.831692945	2.910432438	1.496243298	0.231225251	0.733625843	0.978055331	0.776935797	3.082023182
CAR DC3:0	0.59667782	0.645566947	0.761461845	1.082491319	0.592975652	0.788931295	1.101554484	1.963181614	0.673482366	0.462363897	0.534049198	1.051126766	2.344343202	0.411330152	1.843932776	1.319142061	0.813628569	0.809132084	0.869906793	2.3865439	0.556173456	0.593761538	1.310654872	0.227112645	0.195201193	0.65682036	0.82234447	0.886206496	0.001799286	1.110612162	0.583772542	0.479457803	0.099503448	1.527186441	1.622437197	0.425817301	1.828140123	1.430339992	0.625854752	0.715807088	1.075190634	1.127447308	1.991695497	0.819925081	0.642758557	1.096132409	1.479021337	0.947056559	0.443917088	0.553901496	0.74552917	0.609549845	0.528532187	1.009130181	0.355369387	0.937538102	0.603460138	0.508137939	0.268316801	0.3300632	0.925301827	1.048032905	0.263235329	1.11300486
CAR DC4:0	1.004753521	2.03266368	1.000556734	1.184405745	0.89864457	0.868672066	1.714672172	0.661645325	1.298320079	1.678339123	1.289721591	0.949168061	0.819342229	1.087655508	1.086860891	1.492145085	1.147508371	1.101712905	1.119992773	2.197873775	1.727602437	1.772977751	1.155083221	0.834600966	0.354030194	1.629687713	0.687877439	1.239936792	0.955105382	0.969354838	0.644045408	1.025773942	0.728402168	5.379085166	1.264473915	0.656600237	1.776617616	0.992886408	1.364482523	1.137466695	1.378891594	1.39153324	2.652009011	1.002074226	1.698096922	0.76941449	2.037215987	0.793876017	1.509005649	1.00675188	1.064615825	0.993823354	0.709205584	1.407543472	1.050599586	0.858689793	0.586408781	0.961735442	1.03992085	0.467100228	1.140028357	1.179951747	0.33187301	0.89315604
CAR DC6:0	1.951370228	1.606568975	0.977555737	0.575150509	1.123535556	1.441717826	1.050215486	1.600111681	0.699243574	1.004121442	3.218714603	1.229452361	1.928901211	0.874596058	1.188675378	1.391775449	1.340754488	0.955878415	1.054066923	1.491597169	3.450568587	0.813095112	1.398486429	0.731640815	0.620577877	0.6804492	1.462362935	3.468889609	1.132235903	1.923503282	0.69907642	1.18385443	1.2191132	0.518796454	2.010882386	0.56219642	0.85033038	2.360601331	1.704210685	1.660222256	0.593086181	0.89264289	1.27062115	1.361035527	1.115041039	3.153725466	0.617193705	1.13118114	1.09437825	0.97210257	1.453525952	1.626892554	0.686252649	1.54827371	0.498003053	1.146876425	1.921597621	1.6485402	0.912439924	0.44443054	1.08866423	0.869852827	0.451511808	1.198653781
Carnitine	0.901719644	2.20861057	2.332720808	0.87453655	0.603678238	1.910346188	1.016638883	0.829268448	1.184229588	0.868159576	2.340720679	1.800560188	0.997332431	0.505841277	1.079238867	1.808640315	0.602487368	0.484738981	0.89852583	2.426186127	2.317208559	1.360258272	1.351028028	0.854783512	0.347341505	2.364074314	1.637765892	1.944298126	1.127914445	2.635910446	1.669496064	1.6064034	0.968842958	2.13400383	0.869770437	0.611280749	0.881169775	1.439871872	1.376870967	0.818641525	0.776825244	1.117443815	1.946512952	1.152379425	0.406006891	1.195243609	1.194857384	1.079541199	0.720705427	1.326092665	2.558112065	1.220322496	1.423282997	1.181632487	0.716684609	0.982098485	0.76141892	1.616874104	1.830436045	0.417228398	1.590049702	1.72448184	0.41679691	1.505155794
Carnosine	1.031151294	0.974484897	1.037849043	1.050254033	1.030760478	1.105909096	0.998924455	1.21034732	1.051346641	1.081476103	0.865515862	1.039992772	1.109356059	1.055024229	1.047618951	0.928105576	1.091511093	1.117527577	0.987303069	1.064628621	0.901886419	0.954273782	1.017327704	1.041132642	1.14822755	1.075987765	1.139306544	1.074108834	0.973513138	0.94031857	1.018739851	0.999815073	0.911262724	0.972768805	1.00776349	1.104088902	1.083320179	1.157026176	1.002469602	0.934678233	1.045471856	0.942876562	1.05871394	1.113237352	1.153552897	1.048168385	1.046657679	1.217366982	1.017512601	9.23987E-06	1.023100855	1.125752091	1.071288004	1.100194083	1.031878719	1.125700192	1.028585044	1.095513193	0.902917238	1.031428391	0.997422251	1.048702339	1.065688911	1.043353768
Choline	1.405850043	1.03026953	1.366421011	0.838586591	0.618107853	1.108816507	2.164261368	0.986551967	0.784120862	0.686768201	1.018392886	0.96951007	0.698262044	2.207723152	1.362297687	1.184293253	0.496353842	0.56353354	1.279598518	1.223952817	1.517984652	2.295737286	0.785471556	2.245762899	2.26749967	0.937309423	0.803222872	0.403931031	0.945817026	1.119873665	1.957414883	0.838920028	1.112665747	2.049679241	0.516459751	0.81894064	1.323128322	1.297290333	0.614464456	0.722011369	1.023491415	2.39839492	0.788765237	1.046713424	2.075942722	1.218112612	0.801189894	0.629894237	0.670224903	1.475138678	1.546863693	0.860828994	1.0219054	0.668940302	1.276115023	0.607331373	1.345990162	0.471002993	1.290793662	1.000289407	1.131616065	0.883566867	0.772329037	0.91858756
Citrulline	0.823194742	1.341752142	0.762624277	1.133102524	0.507425666	0.717807827	0.752590045	0.998717063	1.643985442	0.915168684	1.738484645	1.047139198	1.115010066	0.623157708	0.650420324	0.733973571	0.722249854	0.689313388	0.81585084	1.304717564	1.215654487	1.669583282	1.184230088	1.239131545	1.933143479	1.349379434	0.997042835	1.401826905	1.356729264	0.768733234	0.576438577	0.619569474	1.409751933	1.004077326	0.820755313	2.811677137	1.133809832	0.80543	1.065067622	1.351632275	0.98903275	2.99489306	1.205397601	0.877168573	0.761952314	0.741901151	1.172489556	0.96533093	2.224116155	0.727323361	0.785107155	0.987472373	0.885381015	0.637915164	0.61745467	0.812727886	0.573680396	0.923846809	1.501015322	0.954676159	1.726927317	0.637864	2.058461967	1.276932951
Creatine	0.449631229	1.06460725	1.766876964	1.715772361	0.866884757	0.844196302	0.393702651	1.47179134	1.019859911	1.946582049	3.682137624	2.465529227	1.606615656	0.141793241	1.114796978	1.890982773	1.804659614	0.585389777	0.128844589	2.030209622	0.343333105	1.399659734	0.61186018	3.198366247	1.439517343	0.603218497	0.321374718	0.102122937	0.500979019	0.545676298	0.639414903	0.397915539	1.348738085	2.607888031	0.290395882	1.897435493	1.396690637	0.864490866	0.814982393	0.382475474	2.112243068	1.468026554	0.947488515	0.242930422	0.402809686	0.299535481	2.000268113	0.398981578	0.737457654	0.193334298	0.39545734	0.878818109	1.759612957	0.657407431	0.161615522	0.26191498	0.295852067	0.214692333	1.700440338	1.107533654	1.663894098	0.465470797	1.311397383	1.556420647
Creatinine	1.736691263	1.420174884	1.240269263	0.58780699	1.028449455	1.295283285	0.84640444	0.841684958	0.69009494	1.271347774	1.492487314	0.983863254	1.009077027	1.953165201	1.326232553	1.212141477	0.89890539	1.264131709	1.338844282	1.125923962	1.668672362	1.620102764	1.276985831	1.412542149	1.251980697	1.971049988	1.540332789	1.81613654	2.587487344	2.210119886	1.447898896	1.363017168	1.188528751	0.881157652	1.48446316	1.278096313	0.559854933	1.437154145	1.229122689	1.368113734	1.14609879	0.799130375	1.461498878	1.24657143	1.139290057	1.502435966	1.452241049	1.251943018	1.428508231	1.795797056	1.504658466	1.18920059	2.144551848	1.273358112	1.758182502	0.923825263	1.048154965	1.336705272	1.039821285	0.88474405	1.653082074	1.125580699	1.191062512	0.950533449
Dimethylarginine	0.943432134	2.578061364	2.166475079	0.739490316	0.817863761	3.875521769	1.370118078	1.215935395	0.729207184	0.837478156	5.827574878	2.741613961	1.589705633	3.00160543	4.401677998	3.197810902	1.328117429	0.74792831	1.498901324	1.213769848	2.693158354	3.760566212	1.03921355	1.369508629	1.4073515	2.906137685	1.052268947	1.419798012	7.204829798	3.8578376	1.14914815	1.90321403	1.383245794	3.029165874	0.867299885	0.959801797	0.949964994	4.234673583	0.734368816	0.938422492	2.476209829	0.816870363	2.948340339	2.412265699	1.079357435	1.220086997	2.771836114	0.827717857	1.377266569	1.358594848	2.181118136	1.182907231	4.044382485	1.191533672	2.678259939	0.852651992	0.697101987	0.870572245	5.580034134	1.934448826	2.083314129	1.1150153	1.497292962	0.947750781
gamma-Glutamylphenylalanine	0.719840576	1.074700844	0.955297482	0.875249093	0.497958569	1.063197916	0.749754081	0.965614561	1.407479775	1.378357079	3.025558093	1.721704356	0.921756325	0.930349483	0.809485842	1.33951662	0.98531767	1.269531097	0.581376271	1.199439325	1.055740277	2.092549913	1.138549008	2.637797888	1.417657204	1.612038832	0.892349406	0.676542194	2.451132298	1.338177335	0.83048857	0.604105712	1.454450123	0.776570313	0.797976784	4.079998631	0.870752991	0.806407447	1.529267897	1.337285113	1.146570312	1.689006941	0.978096717	1.001103162	1.501348025	0.681212113	1.608232368	1.050503753	1.691022723	0.802401711	0.69876725	1.511366278	1.97774793	0.776032956	0.723068315	0.845072632	0.467844724	0.612851296	0.566848115	0.970461527	1.898852657	0.803378829	1.061049027	0.947209294
Glucose	1.127251492	1.220070012	1.204165752	0.99371964	0.98013688	1.276065584	0.98423397	1.021067798	0.812772382	0.89799809	1.902980074	1.157442321	1.35736809	1.180365533	1.096462445	1.240968042	1.064294286	1.109289758	1.088572515	1.285573728	1.711578308	1.092604845	1.174102147	1.210908806	1.285994424	1.122677842	1.173582599	1.287430592	1.887016735	1.471096437	1.076849069	1.44087449	1.465852227	1.211222481	0.935169641	0.902561294	1.045061651	0.949127512	0.98049075	1.354419398	1.427318954	0.827580293	1.146880517	1.15072287	1.195148982	1.06784695	1.060817881	1.381120089	1.071459036	1.310101811	1.427883944	1.137646767	1.397764097	1.359474339	1.006978797	1.054783311	1.053433125	1.076332476	1.725459466	1.198636771	1.168941857	1.249444977	1.166313736	1.242158634
Glutamic acid	1.49644207	0.507026896	0.727437262	1.188450545	0.681545628	0.733426454	2.171400498	1.266684344	0.99368645	0.727207179	1.09370819	0.71508624	0.945882455	1.594591397	1.283030058	0.76331945	0.726315972	1.034744593	0.497753018	1.182371793	0.824812325	2.173425168	0.597306595	2.995839016	1.201794724	0.355560712	0.769810796	0.544998297	1.08776087	0.96179717	1.409521445	0.677677109	1.042532882	2.437317269	0.699907997	0.759468592	1.304523411	0.947117305	1.058154002	0.722872247	1.177285028	2.085192102	0.755639523	0.607998176	2.626672465	1.376251581	0.847657628	0.71970795	0.445948056	0.586686562	0.595461601	0.747205906	1.069550154	0.773099602	0.896664694	0.39318835	1.060436389	0.661984767	1.281337912	1.034669152	0.816204324	0.871875914	0.747574621	1.135522567
Glutamine	0.835355203	0.545479392	0.927206033	0.900732257	0.829304726	0.909959297	1.493179406	0.860626035	0.817179413	1.057913944	1.287538554	0.981344463	1.04255421	0.965539625	0.778421571	0.959665653	1.005646517	0.70962985	1.199625025	0.984000032	1.369296962	1.534746504	1.344110232	0.880948905	1.057455746	0.956144965	0.867644982	1.165595639	1.299873931	1.24819368	1.427114117	0.85405677	0.842506902	0.973042024	0.858265407	0.892076544	0.91103297	1.072077692	0.956055324	1.129694886	1.247794547	0.732573488	0.67637275	0.755820425	0.771600348	0.790189695	1.441320529	1.122576072	1.489048306	1.101431151	1.26125694	0.927156449	1.082684283	1.0086354	1.119218154	0.990570981	0.792409354	0.862117436	1.16849115	1.066325416	0.867685293	1.371207438	1.207822703	0.870102776
Hypoxanthine	0.215617318	0.437018225	0.663443972	1.928691835	0.509484505	0.196247588	3.104095087	0.233807455	1.255853371	0.879224807	0.637782989	0.865682942	0.17540686	0.132817655	0.902268461	1.034007547	0.543078657	0.262993524	0.904071534	2.470181348	0.822189297	1.575562854	0.488649229	0.883534911	0.0167998	1.026147486	0.099175905	0.202364229	0.411566874	0.143877764	0.255368042	1.298916882	0.384068354	7.927882357	0.293396034	1.653104642	2.909497051	1.26631597	0.176082905	0.137561508	1.026443395	0.55339265	0.810353846	0.376099548	3.885571977	0.001530837	0.845976884	0.077525128	0.281990327	0.964102308	0.595837753	0.137644519	0.338230499	1.24608821	0.77236041	0.729478845	0.006930491	0.311067034	0.489527132	0.811591338	0.123517537	0.150622286	0.09149453	0.996244045
Imidazolepropionic acid	1.187465925	0.655869472	0.654509334	0.358765114	1.990769524	1.229979184	3.146407032	2.07340496	0.309349892	0.555085315	1.211467354	0.213782281	0.752243924	2.970641759	1.099248137	0.481834361	1.450291407	0.935086853	1.732427611	0.765987622	3.720434986	2.157377418	0.43024682	0.876678013	1.084532816	0.726944717	1.872338803	0.802350648	4.815707316	0.918619378	2.507659304	2.492099579	3.124266386	0.233795843	1.447800126	0.753476276	0.801375631	0.542309224	1.953082649	4.350526744	1.101891172	1.599960742	2.565564039	2.759216021	2.217924001	1.287873043	0.744105517	1.362689256	1.891161933	1.194110562	2.23410905	1.35280671	1.744810318	1.097958053	0.819818851	0.908558919	4.136455295	0.756051566	1.429535056	0.590117331	0.978804899	0.953414264	0.764725536	0.631514413
Indoleacetic acid	0.694673143	2.051146133	2.554261789	1.267716325	1.642061835	0.545716492	3.068035898	1.637564362	0.48714892	1.384749883	3.311619048	2.102324565	1.282505052	0.881747905	0.84780572	0.739462945	0.670560443	2.585714468	1.311776379	0.746889176	0.488298907	0.466519619	0.679879804	0.942071149	0.31854971	1.240104685	3.13428965	1.465915092	1.041167164	0.231418766	0.554564681	0.700812771	5.660176756	0.418922393	0.001442401	1.20485555	0.786738135	0.607454144	2.606079188	1.417760672	0.600352443	0.382130431	0.456391035	1.832548631	2.695638608	3.712235572	1.316600847	0.001467039	2.178070334	2.303401761	1.846500637	2.488846034	1.116538688	1.003609157	1.314063725	0.962478035	1.100467529	3.982232355	0.501130168	0.874094793	2.339760243	1.206879159	0.807671269	1.979426678
Inosine	0.016114724	0.720789244	1.270306694	1.819333042	0.49292777	0.326221985	0.313260457	0.297823142	1.920231485	1.051419816	2.298420865	0.512424984	0.253793505	0.006404966	1.213318271	0.645574701	0.995597077	0.661621672	1.262279044	3.068200028	1.036854919	0.217692796	1.284240356	1.704671761	0.002235627	0.857546746	0.232575994	0.525852542	0.644620787	0.15867696	0.024918541	1.200506344	0.594846979	3.760739973	0.256263812	1.485868524	2.147279109	1.268979781	0.207688347	0.167888145	1.969334008	0.094611182	1.74446767	0.670243753	0.431642535	5.08088E-05	1.866338726	0.087243579	0.941836349	1.267795385	0.536138928	0.293554818	0.337814729	0.973336392	0.504516014	1.790971657	4.87613E-05	0.416969069	0.546497018	0.849616926	0.452159285	0.291486145	0.186414206	1.778779519
Isoleucine	0.890423839	1.118174821	1.404154714	0.955949915	1.054481926	1.04540074	1.074650154	1.045375028	1.046714225	1.330156919	1.7283766	1.2714654	1.093781107	1.209809157	1.018824347	1.207345813	1.168228959	1.331768868	1.223522338	1.505021609	1.999470193	1.4826848	1.187904116	1.327095227	1.184859643	1.019795361	1.192569165	1.12379823	1.207380059	0.982851335	0.949048018	1.056160178	1.422730893	1.326084814	1.081017822	0.909961273	0.81471915	1.183430611	1.341983147	1.721635325	1.205455312	1.18905114	1.204939757	1.03055584	1.386779285	0.992537185	1.262407895	1.197566948	1.054204749	1.081874828	1.104632741	1.041243761	0.919910686	1.121663022	0.893848574	0.957525451	0.904654953	0.984653221	1.249865133	0.874312031	1.147271229	1.00281799	1.288754811	1.169601284
Kynurenic acid	1.001533808	0.864460997	0.458934048	1.644772043	1.467835994	0.482059406	0.302557498	0.673235849	0.402746373	0.651023145	1.831053612	0.572426957	0.598640256	2.628020253	1.842811317	0.196670894	0.811060465	1.093676168	1.166826896	1.343301866	1.130693621	2.104272919	1.190146613	1.549321439	1.449421161	1.51096886	2.055492455	0.269636611	3.006449838	0.816020499	0.188679791	0.446841392	0.701756609	0.376717963	1.322390447	1.668466022	1.271899976	1.23531498	1.952682513	1.29968099	2.867153486	1.253408805	0.968959535	1.832849866	1.580526361	1.715935262	2.776776282	0.940309642	1.675553278	1.211779673	0.575583654	1.680001776	2.158395313	0.749011655	2.350651463	0.715321693	1.513169391	0.190209503	0.267952088	2.368385315	2.89015196	0.229598153	1.400997133	0.809106629
Kynurenine	1.186225715	2.349875586	1.789680812	1.082647679	0.840925874	0.728188673	1.658752242	1.380277109	0.520038195	1.205730257	2.096317164	0.942222049	1.266025777	1.299891511	1.445041631	1.591738919	0.991236041	1.31540326	1.294395685	1.132533287	1.045461563	1.787112061	0.938170101	1.001501961	0.762212218	1.577797623	1.06649681	2.66710299	1.416476671	0.926996698	0.842489196	0.769347754	0.742649414	0.990720399	1.164409938	1.401152409	1.077971265	1.057696623	2.110742896	0.833913323	1.119810651	1.165163907	1.98796691	1.95666938	1.317161873	1.546427944	2.056318967	0.559669921	2.160499144	1.489968349	0.905948609	1.731029612	1.077883933	1.655075335	0.809588758	0.787781878	1.140813349	1.517076897	0.619523682	1.095816848	2.082267271	0.66799791	0.49054464	0.86770836
Leucine	0.938728633	1.091866331	1.325680672	0.877548828	0.978090338	1.025403933	1.231899365	1.214926202	1.275995416	1.296748065	1.709813007	1.296903582	1.069622741	1.096668902	0.998512825	1.231850869	1.180677653	1.297895145	1.247028729	1.447102694	1.871898428	1.373187459	1.225816455	1.397093334	1.125369942	1.159361118	1.223829768	1.125447665	1.341978662	1.025729583	0.964632863	1.13756765	1.631416184	1.45540736	1.046531932	0.954045665	0.754946168	1.159556985	1.182043356	1.633101255	1.144162827	1.045317707	1.278686407	1.087796449	1.377524373	1.097370149	1.409570607	1.29819536	1.173938408	1.054900562	1.147969292	1.004359158	0.852020865	1.211817812	0.960523611	1.018548885	0.956294505	1.132004744	1.350684703	0.794717679	1.289560322	1.173337032	1.287098986	1.38022088
Leu-Phe	1.776918598	0.867118549	0.523833463	1.052298986	0.621062318	1.015294782	1.593722808	0.821263205	0.64727999	0.642745096	1.386448454	0.565480932	0.784162481	2.485414046	0.755025017	1.104131712	0.829162274	0.757320675	0.722970793	1.786192588	1.032966835	5.004165038	0.782860281	7.449263937	2.837447522	1.426789136	0.70051104	0.600994776	1.3068075	0.520851736	0.918551896	0.75062829	0.766540744	2.715846106	0.528513774	0.884236841	1.541955403	1.456904331	0.680722994	0.891483302	1.52988317	7.015917528	1.572568378	1.060482938	4.274916981	2.068215406	2.676215737	1.167176388	1.103896116	1.086452313	0.638632966	1.053897678	0.74856875	0.650432942	0.303638973	0.709917241	1.273978333	0.793082121	1.386658543	1.038415122	1.273655817	0.99161391	0.79305091	1.04884222
Lysine	0.646507459	1.053746199	1.818249391	0.892484231	1.409439724	0.451385455	0.944590262	0.901659427	0.827723485	0.937229896	1.826744814	1.800563622	1.029294311	1.357961821	1.492284589	1.319043972	1.065151922	0.908440003	0.731053189	1.745255794	1.541861445	1.747295196	1.733889726	1.50982004	1.07024127	1.819181062	0.682249861	0.917237041	0.823943591	0.466757932	1.057522861	0.693051551	1.161244597	0.827990203	0.647429085	1.282920196	0.837323357	1.346159357	0.775046593	0.883538612	0.862514206	1.309663624	1.515193405	0.882237217	1.098825767	0.755030249	1.271543825	0.768657318	1.527945211	0.887271831	0.817071474	1.12884232	1.257358475	1.069765537	1.115726504	1.211846688	0.972421785	0.719200813	0.888444331	0.557059806	1.160703664	1.070607607	1.024248072	0.911071107
Lyso-phosphatidylcholine	1.183511547	0.964266492	1.632204971	1.181821551	1.339993176	1.216685107	1.765478045	0.751601929	1.044204318	0.896441766	2.723566631	0.66834182	1.068097466	2.478099699	1.151856455	1.392593971	0.761565743	0.820457634	1.145279414	1.332084553	2.046035134	1.301261706	1.073380284	1.755253388	1.790741486	1.382262859	1.295933855	1.13191088	2.236336294	1.21981967	1.516681863	1.326808413	1.614054871	0.942241687	0.756251103	1.04885797	0.739513235	0.919920911	0.731347879	0.664228577	1.023394883	1.856332441	0.968241647	1.328244809	1.554457406	1.306695856	0.927798124	0.69461924	0.733422673	0.801261628	1.238850319	1.00378175	1.189449147	0.998693082	1.859287512	1.553319017	2.68728097	1.477756419	3.267259721	1.449152102	1.213292954	1.173866854	0.980187622	1.165759052
Methionine	0.826674387	1.327044587	1.242077886	1.072405045	0.889537833	0.82983102	0.704024806	1.003501071	1.321896536	1.044233082	0.93788885	1.152697135	0.945467859	1.139148399	0.868064177	1.1682085	0.969852406	1.015392809	0.963484456	1.524881779	1.186357969	1.395980825	1.12253501	1.831212937	1.324086404	1.735100529	0.875178098	1.139326443	1.545028221	0.94429831	0.540456956	0.794715995	1.10917483	1.143887582	1.051560841	1.899700478	0.949569591	0.877574421	1.177035718	1.450821207	1.703725641	1.261460721	1.264277788	1.074550659	1.194068439	0.804605779	1.539064357	1.117321539	1.809250074	1.168593667	1.133336342	1.241330286	1.590460509	1.299970787	1.078061258	0.919684433	0.820307438	1.033657797	0.743657591	1.504160926	1.425572478	1.030007399	1.544721402	1.378274099
Methylbutyryl-carnitine	0.665885105	0.833600049	1.206616841	0.995911029	0.78812777	0.774894059	4.154596005	3.184109851	1.323944516	1.307950955	3.734779697	1.82625962	2.229162895	0.367704311	1.77658838	1.106772544	0.697312677	0.287212236	1.117704017	5.53032147	1.216430631	1.240594308	1.579755639	0.682525132	0.282748907	1.311410672	1.046618894	0.69418543	0.732086054	0.61213929	1.202791925	1.760935351	0.891639465	1.985364177	0.736257083	0.869158682	1.56630937	1.671496963	0.847054701	1.085362817	0.370534416	2.009790266	0.695547507	0.537480006	0.371592425	1.035817699	1.402488587	0.822753873	0.709216565	0.671109997	1.368272339	1.058901683	0.727517509	1.993693916	0.420495717	0.755662492	0.681449598	0.796789351	1.151932097	0.157675887	0.796976523	2.195085478	0.304119836	1.689349567
N6-Acetyllysine	1.598507409	1.802732231	0.986635656	0.950866361	0.68312903	0.778528968	1.50546919	0.603211976	1.168523306	1.04347649	1.308862933	1.163727691	0.650051712	0.940387268	0.972397509	0.909135277	1.018580992	1.141838234	1.08563556	1.672966401	1.152908525	1.099286155	1.178094398	1.403216876	0.599549856	2.283956361	1.560713466	1.500604279	1.838184757	0.986921562	0.597474381	0.784640626	2.636534549	1.037787841	1.176990712	1.951746479	0.60394693	1.181683373	1.144851838	2.106713009	0.84616923	1.353433966	1.401854988	0.955286824	0.939296775	1.330658552	1.463658534	1.074142448	1.943097615	1.803934169	1.619505225	1.196689338	1.532576868	0.732848327	0.937624673	0.877881317	0.632973601	1.937245637	1.121814352	0.8035247	1.177590888	1.076426042	0.881764483	1.667403905
N6-Methyladenosine	1.217622147	1.162773764	1.183335503	1.08699256	1.165759	1.085001957	1.387982687	1.21826172	1.007392594	1.661932966	19.00342465	1.630170681	1.429578842	1.861963558	1.821208622	1.436951326	1.279679151	1.231013042	1.535643353	1.308788074	11.46980426	0.823010572	1.120024512	1.973917529	1.499578115	1.501307553	1.125639553	0.760185357	7.390798017	1.192518346	1.593582398	4.617796864	5.463324127	1.134631703	0.992326234	1.105211189	0.951106711	1.533721271	1.425871938	0.587531566	0.539060833	0.655662741	0.66152688	0.585128289	0.572181708	0.880540675	0.706715059	0.506211457	0.871641862	0.596015201	0.726226894	0.808022682	0.778291569	0.718028487	0.650532513	0.833853017	0.907205221	0.490842803	4.159594157	0.687359573	1.002684627	1.034496705	0.835810425	0.649169719
N-6-Trimethyllysine	1.675172399	1.344068691	1.511943946	0.759687278	0.750921985	0.924068094	0.878309622	0.692819269	0.776847968	0.962212432	1.021593766	0.836522475	0.872468825	1.37229148	1.251515416	1.021678732	0.839093524	1.34231462	0.774872099	1.382590232	1.150187579	0.833827766	0.688792685	0.93330189	0.821076602	1.147748657	1.223144502	1.161347036	1.503232811	1.133282593	0.795754369	0.88905908	1.016895355	2.911858788	1.11804174	1.091588609	1.015095909	0.93243898	0.807897661	0.967987814	1.56230283	0.7069057	1.303206303	0.869293864	1.665635254	1.523039282	1.034712456	0.960649865	1.158660303	0.994404483	1.066641661	0.72205554	0.939167261	0.886405833	1.409185965	0.811979817	0.828330882	1.318262339	0.861926916	0.605582344	0.967664685	0.668093706	0.838381534	0.887554427
N-Acetylarginine	1.036313084	2.190327265	1.040104917	0.99446475	0.920837784	1.37984912	1.022445407	0.90428342	1.071298522	0.783515928	1.849598074	1.631030271	1.272167434	2.255889516	1.987356272	1.321465879	1.244233754	1.851235146	1.27875451	1.109187215	1.456337412	1.136472428	0.725606617	1.470708078	1.419643755	1.849077257	1.17993632	0.741711858	1.620756918	1.068721103	0.590135944	1.073414359	2.103267367	1.662247881	1.07939412	1.070537832	0.553300744	0.987127089	0.730745638	1.521223668	1.268316881	0.936898467	0.795903835	0.933523512	1.374287298	0.799364541	1.026919989	0.884547899	0.912807221	3.061649899	1.339834554	1.034579859	1.410436846	0.767951059	1.494344062	0.708213438	0.788942779	3.84108682	1.49796624	0.762233298	1.551464666	0.572246427	0.951040263	1.821563048
N-Acetylasparagine	1.077578493	1.378170564	0.640173429	0.917954576	1.059429658	1.096675266	0.579418419	1.339479478	1.304843972	0.591525246	1.881019021	0.971732572	0.996738836	0.511432019	2.872802936	1.190035775	1.658433044	2.419272344	1.169407531	2.503968887	1.957043198	0.969870701	1.939727126	1.002561295	1.552895132	0.301711159	1.090949283	0.686210479	0.707331774	1.341199874	1.634560699	1.366235604	1.87141106	1.09078858	1.079062957	0.674607124	0.740018616	2.004442004	1.010690611	0.691799025	0.967965373	1.078043423	1.168794398	0.447113032	0.845439721	0.932700643	1.18042517	1.096432444	0.727938949	0.864981394	1.387593554	0.624935908	0.465191775	0.746816875	0.570530957	1.010418284	0.771383294	0.487615044	0.961555787	0.800776924	0.956424831	0.966413628	1.495326128	1.910893879
N-Acetyl-beta-alanine	0.847006691	0.618892611	0.927734709	0.65086396	1.476634641	0.777159901	1.355278964	1.050731906	1.194438794	0.874171811	1.277557351	1.032029936	0.973093864	1.171625425	0.880752184	0.646411771	1.327982218	1.537283607	1.427883641	0.887203132	1.186818544	0.667858366	0.874944284	0.712217613	0.943719743	1.478027348	1.780228752	1.065474539	1.281881738	0.45439347	0.838785876	0.5757053	1.296957355	0.752400434	1.124732386	1.403999454	0.629482878	0.785680565	1.324605635	1.488375139	0.528110579	1.34021087	0.593042049	1.322532249	0.982084892	1.35886565	1.250969698	1.087648639	1.110900729	1.320220224	0.949258882	1.652624427	0.79160784	0.935154051	1.342510783	1.113000204	1.197027563	1.705122181	0.827281756	0.424755335	1.523098477	1.215167894	1.371219925	1.301123515
N-Acetylleucine	1.202483424	2.127172754	2.034909849	0.707711467	0.930418616	1.286580407	1.019009292	1.688051997	1.315597645	0.387035905	2.032941395	0.737309768	1.056052785	0.845051142	1.411651177	1.061327003	1.17639793	2.336150673	1.200707993	1.858618343	2.75729114	1.106240904	1.295845266	0.801498091	1.144956126	0.505333609	1.230408647	0.867068201	1.104302349	1.026781638	1.151346779	1.328177609	2.527127484	0.64733677	1.115217547	0.567412272	0.600368903	1.226457473	0.793017079	2.452889633	0.812620135	0.793818325	1.813459468	0.724586705	1.738983185	1.427217795	1.403813032	1.246167969	0.588997035	1.364773613	1.785071406	0.908361626	0.510871845	1.287195184	1.022084781	0.976471187	0.702934107	1.30232227	0.605552125	0.566171686	0.964562069	0.883887304	1.641749664	1.903577874
N-Acetylmethionine	0.994214142	2.481489965	1.212508636	0.779201671	1.05306991	0.736709741	0.74037369	1.685665538	1.398741936	0.903472838	1.869116036	1.010590324	1.236935276	0.612518647	0.795237889	0.89034694	1.286910958	1.574872094	1.454808134	2.400673701	2.003806067	1.048390112	1.536008565	1.587502289	0.692508826	0.969854965	1.390430846	1.185981531	0.748142623	0.657980029	1.079994371	0.557660176	1.116107768	2.02024905	0.991481802	2.457230268	0.682495087	1.231111085	1.035263687	1.323341378	0.954122821	0.658079365	2.455716391	0.930130732	1.035900816	1.149107793	1.771597022	0.951729814	1.526550408	1.893132396	1.452928772	1.206460986	0.739851979	0.947566528	0.760733464	1.283727812	0.738567111	1.674689241	0.85587649	0.833773541	0.950594548	0.265426461	1.104191965	2.523772621
N-Acetyltryptophan	1.118854083	3.016876247	2.757124381	1.639593277	0.670873634	1.067774595	0.951616446	1.566073242	0.826118866	0.544083594	3.510945286	0.872374455	1.099998556	1.253028989	0.80051832	2.317326121	0.992751225	0.991413218	0.881448156	1.408222315	1.668322131	1.174035305	1.315116669	0.545750348	0.817343462	0.793418626	0.721017653	1.350840922	1.43248862	0.875033307	1.128909732	1.001150242	2.050990773	0.50063723	0.938509602	0.729129319	1.478238826	0.694951185	0.867710882	1.054502098	1.130826117	1.246033094	2.724341189	1.084569608	1.786542994	2.02508981	1.47600881	0.67363002	1.239321987	1.278930019	1.299339633	1.172467922	0.812866496	1.249876821	0.90682477	1.595715442	0.891351809	1.050970969	0.481219059	1.044089112	0.995209384	0.598985029	1.115262697	1.75502946
N-Acetyltyrosine	1.645531402	2.960056184	2.263154024	1.079759662	0.713032631	0.833302452	0.694978248	2.897389807	1.050833055	0.483234162	2.648404757	0.593163083	1.853931369	1.120709613	0.426416224	1.443625907	0.929965654	1.169040493	1.057951135	1.001470105	2.212645378	1.034972862	1.549164223	0.625388119	1.496231734	0.862567599	1.507441612	1.076916607	1.029025364	0.82280165	0.839718086	0.859031679	1.671061787	0.404776004	1.042966421	1.404086923	0.773456808	0.441994785	0.539980588	1.508638396	1.482989369	1.139195191	2.475838857	1.370121428	2.036869737	2.127291106	1.3213818	0.922957898	1.788424427	1.357161362	1.264306457	0.847246302	0.485609429	0.684690739	1.167622396	1.37079291	0.70023437	1.196504196	0.718248733	1.188879971	0.908334884	0.317879213	2.058455819	1.521536909
Nicotinic acid	1.915066421	2.950218013	3.200387473	0.297314639	0.586826176	1.728277911	1.478872759	1.267781509	0.508944401	1.147980674	2.273939877	1.396601946	0.92139979	0.467440399	0.837052767	3.206679491	1.323059275	0.386254738	1.354366948	1.151114628	2.223701819	1.128234322	1.014167923	1.56444871	0.518835349	1.726697716	0.605702067	1.454087557	2.493716581	1.651569866	0.903735858	0.667029412	2.593177695	1.1066958	1.293646482	2.43953216	0.213044234	0.765590626	1.964363349	0.762189307	0.41522144	1.496613229	1.663212943	0.421244339	0.481267102	0.731486885	1.585979467	0.327268863	2.588401161	1.480060672	2.509831657	2.034132312	3.942216432	0.778528671	0.302631354	0.620878233	0.475511603	1.122478384	0.874278013	0.667245585	0.670124526	1.128490406	0.867674884	0.729692921
N-Methyl-D-aspartic acid	1.49644207	0.507026896	0.727437262	1.188450545	0.681545628	0.733426454	2.171400498	1.266684344	0.99368645	0.727207179	1.09370819	0.71508624	0.945882455	1.594591397	1.283030058	0.76331945	0.726315972	1.034744593	0.497753018	1.182371793	0.824812325	2.173425168	0.597306595	2.995839016	1.201794724	0.355560712	0.769810796	0.544998297	1.08776087	0.96179717	1.409521445	0.677677109	1.042532882	2.437317269	0.699907997	0.759468592	1.304523411	0.947117305	1.058154002	0.722872247	1.177285028	2.085192102	0.755639523	0.607998176	2.626672465	1.376251581	0.847657628	0.71970795	0.445948056	0.586686562	0.595461601	0.747205906	1.069550154	0.773099602	0.896664694	0.39318835	1.060436389	0.661984767	1.281337912	1.034669152	0.816204324	0.871875914	0.747574621	1.135522567
Pantothenic acid	0.624389931	3.85953715	0.816749227	2.347875757	0.440479272	1.809351377	1.003059617	2.343732215	0.773317307	0.659422204	4.151192956	1.880883286	2.277634568	1.169485263	0.427556201	1.117285592	0.814027456	0.711355687	0.499505488	0.895217607	0.874076232	0.706584869	2.051650588	1.121429224	0.939082354	5.184663317	0.427863189	0.382082877	0.890509746	2.344999742	0.50923785	1.155893954	2.490174144	1.26251999	0.584015825	1.018497867	1.123567018	0.357963372	0.502886771	1.198637308	1.463276786	0.641563122	2.679441545	0.898759861	1.751127897	0.621103483	0.980576158	0.670468118	1.000283495	0.61266041	0.3125034	0.674991149	0.621907094	0.997969714	0.796283674	1.18637764	0.667302103	0.661281383	1.15750814	1.074057779	1.021805036	0.446322296	0.69650893	1.089482012
Phenylalanine	0.823087566	1.05599056	1.112581265	0.976095126	0.798701581	0.866196235	0.809722649	1.076935049	1.558185412	1.52421423	2.323381572	1.588153506	1.012798886	1.024324623	0.983747078	1.407575401	1.00568343	1.164999408	0.904273256	1.251646243	1.264182827	1.347126763	1.154885029	1.761587185	1.174951844	1.594571801	0.829947716	0.772981417	1.739937198	0.879237787	0.745107469	0.714233529	1.044064628	0.952719182	0.956989117	3.31789761	0.846581089	0.956546352	1.213168162	0.870033037	1.198322251	1.463289615	1.119003401	1.312217927	0.94222524	0.761871424	1.499811045	0.947855022	1.550195933	0.936190179	0.796799199	1.326792763	1.505639089	0.84338793	0.855286488	0.973516146	0.755417302	0.674512546	0.931504722	1.275790276	1.617021381	0.98920842	1.205952846	1.146492237
Proline	1.259191696	1.335594523	1.744378813	0.773190679	0.896037453	0.625702655	1.455227112	0.890189652	2.789865698	0.891513222	1.655423512	1.170061314	1.030737738	1.407966539	0.869383265	0.970047251	0.932464427	1.340393726	1.239225805	1.165153886	1.545246882	1.36422013	1.230940369	1.282967643	1.283494075	1.793700392	1.541248429	1.510977598	1.805310806	0.74871366	0.943578643	0.879670194	2.698768447	1.240660418	0.855515276	0.920801184	0.713160535	0.920808034	0.841532941	2.006203189	1.174789103	1.106530471	1.323611011	1.546601145	1.836401256	2.320802077	0.954944075	1.021235512	0.970834882	1.639221053	2.000879906	1.058378727	1.419707857	0.988205255	1.286222098	1.062213739	0.998569183	2.040613134	1.518391679	0.863950685	1.321718369	0.827113033	1.32558992	1.365120378
Pyroglutamic acid	1.73802564	0.718862231	1.068592349	1.05218261	0.999060125	0.905760263	2.162290564	1.058573252	0.967158385	1.246523473	9.859924895	1.208735282	1.065959842	1.681780829	0.898623837	1.295005731	0.936512685	0.949130768	1.066132984	0.91035983	6.270558553	1.988645378	1.028527425	1.424618137	1.749075162	0.828525938	0.849743762	0.848778795	6.139768297	1.040000414	1.830453643	4.778301119	5.411504613	0.963485583	1.047235938	0.834041052	1.071854591	0.88140363	0.866829164	0.952495637	0.853150169	1.0860825	0.792404659	0.993890163	1.549765759	1.085141362	0.891371519	0.942896845	0.933162661	0.852670912	0.862368292	0.925057853	0.936697719	0.921347933	0.945203004	0.891691047	1.029051795	0.568810949	5.361127442	0.773858621	0.810486054	1.028816252	1.029078889	0.695310972
Quinaldic acid	1.896544927	0.254639193	0.121468597	1.277820884	4.93852362	0.282175254	0.19296958	1.835915682	0.281122876	0.597151835	0.999936632	0.418797796	1.079311085	3.111623736	0.510632141	0.155476825	0.648417141	2.474695691	1.46294151	1.603941663	1.864849032	0.376807199	1.364082788	1.19603861	1.031236236	0.664740464	5.243389813	0.387653288	2.490343874	0.167715419	0.09234047	1.528569977	2.820456052	0.290334445	0.911291077	0.950599985	1.506677721	0.287364642	1.115457646	2.426064306	2.028500671	0.30356569	0.248845318	2.130575696	3.016462037	6.86606085	0.510178838	2.894841679	0.911844003	1.34070037	1.840734594	1.596597636	1.153703082	1.548723924	2.752454846	1.960821494	3.877524966	0.308072242	0.347993033	0.833122521	1.223131147	0.117182867	1.31275708	1.0333114
Serotonin	0.198302194	3.202133267	1.028615634	3.9329942	1.004344874	0.626826045	2.213927947	0.277992627	1.329780669	0.300052371	2.367062374	0.374042309	0.487602602	0.039252237	0.867097653	0.087312659	2.324778893	0.475044833	1.070203869	3.04264743	1.55549045	0.507181063	2.993696062	1.123932572	0.013159358	1.331553649	0.449795589	0.712286822	0.203527334	0.285697631	0.051783543	0.216092751	0.019245786	0.572794863	0.147519151	2.622301649	1.09560219	2.531262118	0.347867762	0.12374324	3.177666454	0.104779458	11.03563313	0.469963449	0.1489903	0.08256794	5.031613397	0.141640286	6.761814966	5.9506923	0.71069417	0.925023872	0.633720939	0.37070452	0.830117432	6.267372541	0.172922071	0.935187567	0.290848584	0.187534252	2.680275619	0.929113101	0.28819766	0.832607712
Spermidine	0.740535882	0.489634007	0.717655657	1.53413561	0.367063467	0.600595094	1.610609271	0.849674194	0.891102535	0.937873063	0.876246364	0.803190406	0.895026035	0.762596563	2.65535195	1.328696241	1.012546124	0.786850201	0.763220218	2.011593218	1.187911234	0.963640915	0.982051408	0.7163558	1.083136574	0.685310204	0.371910589	0.290097237	0.560551365	0.499294395	1.465383885	0.236994909	0.387332778	3.00092527	0.581925975	0.743357301	2.378238956	2.542169166	0.486894145	0.443181925	0.709176484	3.671113221	0.673279167	1.122455685	3.225918618	0.81591358	1.30904018	0.729168527	0.781841278	0.595552195	2.114520583	0.838703503	0.956684325	0.593322163	0.454267985	1.122170884	0.518177104	0.348529498	0.603029781	0.606780457	0.796852167	0.475996312	0.595242329	0.924148457
Spermine	0.903942191	0.400204827	0.266498825	0.884544111	0.23030151	0.128990981	6.797947593	0.46850322	0.733364725	0.689306355	0.002436203	0.661381912	0.551755488	1.624707328	2.736611758	1.375355842	0.692874404	0.635185278	1.120712342	2.896988314	0.289833704	3.271953321	0.577048079	0.870656025	1.264086727	0.4626215	0.003130271	0.201974571	0.124839321	0.199777015	1.603782023	0.003265289	0.154277375	9.06667115	0.126044513	0.353973444	1.572108003	3.148085948	0.123802619	0.279065927	1.853753148	4.152216505	1.418231741	0.793263052	7.547583885	0.964972506	1.812482132	0.617668854	0.600101425	0.751846622	2.901490575	0.293711985	0.846867343	0.825038166	0.465575262	1.234395601	0.943839128	0.212758762	0.56378019	1.229304592	1.546535971	0.441060297	0.23351615	0.936150999
Threonine	1.199835513	1.12568435	0.97703758	0.741515493	1.367936241	0.484669809	0.459951768	0.691722361	1.458329395	0.953611654	0.660567646	0.839339361	0.80218192	0.899187969	1.032781535	1.00870717	1.023119445	0.765753429	0.860150129	1.498378061	0.808586225	1.73717435	0.984421024	2.245287755	1.075711168	2.410981423	0.764943486	1.2713075	2.380758475	1.001719263	0.937624036	0.832836553	1.270810278	1.206343935	0.953577779	2.307507661	0.720026666	1.014113502	1.719714627	0.67168184	1.015454787	1.702801484	0.96870843	0.66294873	0.783821777	0.643128689	1.007601634	0.627587003	1.216021738	0.972754739	0.624637624	1.833390794	2.205867667	1.009702591	0.836326374	0.509025652	1.293285487	0.749124475	1.58364963	0.882860863	1.16005704	0.534030905	1.038223168	1.130845063
trans-4-Hydroxyproline	1.731901101	1.677546273	3.379963964	0.212572492	0.836422388	0.595547665	1.046424785	0.651158705	6.426853365	0.371604661	1.750467899	0.633108479	0.464031173	1.471599953	0.661517002	0.633933689	0.818025647	1.494028586	1.342676918	0.595089655	1.778533085	0.659533933	0.961230514	0.422424762	0.741494755	1.709605427	1.965290051	1.317898361	2.407445403	0.575705779	0.581628523	0.675645574	3.44839892	0.615674601	1.154205233	0.842980847	0.319255059	0.700396074	0.588713195	2.408179858	0.728792372	2.543612592	0.84485581	0.970569187	1.529206929	2.559243616	0.587239365	1.042363245	0.834238192	1.583986636	1.768870268	0.676663312	0.716412222	0.579083725	1.441209186	0.726079924	1.088439126	2.67011693	0.959574614	1.079133246	0.677755179	0.574465068	0.760508865	1.648954816
Trimethylamine	1.078126898	0.718575738	0.852122631	0.656641183	0.393008233	0.952947234	1.778385186	1.007695509	0.610996922	0.67348087	0.831033659	0.920193036	0.647707106	1.939798147	1.540978127	0.971282346	0.567547188	0.688289087	1.198773476	1.232215743	1.423952231	2.327564208	1.134440011	2.645524958	2.220517549	0.957875845	0.837707482	0.457597277	0.943453732	1.375586604	2.328225549	1.002915288	1.071128043	2.747416203	0.575357136	0.717038822	1.513504167	1.40280324	0.648483353	0.863914736	1.077746574	2.339375099	0.981656561	0.955150936	2.231175515	0.993699427	0.666064117	0.699944561	0.65523685	1.632176458	1.499857897	1.062169722	0.956485671	0.932986921	1.089685902	0.713023284	1.274386965	0.689954709	1.530407007	1.010308005	1.271731165	1.139480279	0.728319495	0.87157791
Tryptophan	0.751795299	1.214676532	1.877863201	1.581165904	0.667646808	1.139676737	1.285511233	1.195336407	0.98237849	1.415526655	2.87640598	1.513440733	1.264742863	1.035445997	0.902185924	1.998618495	0.951556272	0.904602113	1.20800103	1.264222767	1.08924018	1.516107655	1.26091832	1.14988076	1.062016475	1.308867445	0.834898581	1.323760783	1.471111676	0.920802308	0.654849177	0.774443871	1.39390373	0.963281296	0.74003137	1.299793742	1.50381283	0.928766525	1.616018329	0.972760613	1.177512061	1.251006543	0.929506313	1.829434583	1.600223436	1.099166732	1.716351693	0.985422281	2.275319332	1.45124462	0.890327164	1.666185963	1.140449776	0.964266317	0.781072993	1.06325062	0.712582313	1.441889357	0.803350065	1.222662035	1.78604123	1.410713393	0.991427125	1.205442923
Tyrosine	1.032416523	1.42895183	1.272101099	1.00549307	1.032869172	0.931341292	0.930431624	1.539987116	1.045919577	0.96770525	2.015345301	1.271028671	1.376393598	1.286538807	0.775957054	1.318851628	0.885205801	0.977503286	1.213348255	1.086535479	1.400441779	1.255327756	1.582934979	1.102938484	1.414872015	1.206575938	1.187850804	0.898578536	1.691781628	0.877879536	0.646379536	0.768950462	1.202622654	0.937084231	1.071820884	1.211977501	0.845924888	0.691463039	1.121765576	1.299655242	1.342847568	1.170061522	1.259566533	1.33268617	1.434506914	1.141458635	1.463238686	1.233518057	1.812425117	1.355896489	1.085024514	1.374870853	1.502386838	0.823799847	1.031630829	1.249090723	0.763693841	1.079597342	0.956852346	1.224733633	1.611725597	1.007678975	1.540749814	1.081437602
Urocanic acid	0.789863725	0.415582993	0.532712315	0.442311788	0.587614272	0.448923969	1.228238312	0.896700232	0.618503201	0.888264614	1.156708726	0.657014021	1.444818779	1.870075495	1.278885252	0.582713289	0.655650438	0.570190867	0.918958541	0.628248357	0.856412009	0.916190592	0.414977655	1.948595093	0.696755147	1.732204986	1.446874388	0.345311902	1.818112389	0.686510689	0.761925871	0.697647079	1.194183961	1.748453103	0.841088679	1.224413161	0.869887821	1.116327781	0.769436933	0.687901072	0.715568339	1.042762177	0.560729912	0.729295641	0.942955245	1.194715931	0.678748706	0.48186546	1.117845995	1.294729784	1.032125815	0.972100599	1.690531999	0.550125437	0.550555916	0.39936438	0.752886843	0.726959035	0.908504557	0.588339215	0.721673093	1.13949438	0.418309701	0.451719829
Valine	0.923615534	1.203255815	1.500561134	0.92027875	1.069586499	0.98339074	1.077913249	1.121422808	1.218325817	1.148497751	1.612712264	1.326472666	1.191572112	1.10307453	1.081597435	1.233501929	1.098659651	1.323929623	1.387248266	1.616811789	1.734451599	1.337561613	1.281595963	1.471724566	1.260848415	1.195226648	1.179371228	1.163237541	1.180234181	0.973102358	1.039258189	1.147814385	1.490373663	1.190677323	1.089501635	1.028251603	0.875804569	1.149992898	1.231420347	1.602487217	1.226403116	1.226838339	1.350660245	1.145531239	1.402510253	1.060322977	1.318977593	1.235462349	1.231643642	1.078613552	1.133430825	1.082155789	0.969731876	1.188676001	0.923513823	1.015856327	0.939623357	1.028000153	1.174017347	0.902608876	1.187787894	1.094625493	1.177897899	1.223840397
Xanthine	1.922429797	0.53865538	0.500478893	1.489621188	0.678501939	0.392380626	7.211549194	0.37001655	1.82948378	0.520672805	0.432416975	1.137443646	0.266405227	2.118447455	1.165270529	1.351353291	0.338880542	0.258121249	0.669212331	1.479186347	1.695038912	3.84847131	0.313890169	4.43378337	1.063102804	0.546834181	0.100804164	0.198355101	0.334816772	0.370112536	0.938916783	0.729090294	0.246229782	6.756740687	0.421834381	0.832814224	1.901353027	1.590571244	0.266117256	0.170890304	0.890882177	5.460393411	0.918959605	0.311363214	6.178163917	0.118571892	0.460524092	0.081226142	0.214700134	0.509114188	0.869978994	0.153299388	0.207208602	1.13933003	1.095266532	0.607670829	0.599855621	0.298781848	0.825731307	1.033093561	0.175080099	0.143679118	0.145493805	0.665547299
Xanthurenic acid	1.609052122	1.468999112	0.465311421	0.234240046	0.511180508	0.271511743	0.127918796	0.423082103	1.037411954	0.822889818	3.256818223	1.586726966	0.184892638	3.017133591	2.075510372	0.271821721	2.465936106	0.675799427	2.237060792	1.067771883	1.744635069	1.094490352	0.842443152	1.141701021	1.198752544	2.424138793	1.242828974	0.513724361	1.247108588	0.245251253	0.335768411	0.147725998	2.678293617	0.348326527	2.147491601	1.579871799	0.015494382	1.499591665	2.520784499	1.334711765	0.675825738	2.419189023	1.099136364	0.637436845	0.663102423	0.5684737	2.932216105	1.053553011	2.37255536	2.513226657	1.235115231	2.629795731	0.927303004	0.349612329	3.887259229	0.50883861	0.515610689	0.664274783	0.224783601	1.044048282	0.863225471	0.150911232	2.097798524	1.056667654
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	quantified m/z	RT (sec)	PubChem ID	KEGG ID
1H-Indole-3-carboxaldehyde	146.06004	634.8	10256	C08493
1-Methylhistidine	170.0924	54	92105	C01152
2-Deoxy-glucose	187.05769	66	439268	C00586
3-Dehydroxycarnitine	146.11756	61.8	725	C01181
3-Indolepropionic acid	176.07061	645	3744
3-Methyl 2-oxobutyric acid	190.08625	663	-	-
5-Aminopentanoic acid	146.0924	84	138	C00431
5-Hydroxyindoleacetic acid	118.08626	58.2	1826	C05635
Adenine	192.06552	484.8	190	C00147
Adenosine	136.06177	79.2	60961	C00212
Alanine	290.15981	372	5950	C00041
Alfa-amino butyric acid	104.07061	63	-	-
Arginine	175.11895	54.6	6322	C00062
Asp-Phe	281.1132	441	93078
Biotin	245.09543	540	171548	C00120
CAR 16:0	400.34152	762	11953816	C02990
CAR 2:0	204.12303	88.8	18230
CAR 6:0	260.18563	597	3246938
CAR DC3:0	248.11286	72	22833583
CAR DC4:0	262.12851	103.2	71464481
CAR DC6:0	268.10373	177	71296139
Carnitine	162.1125	60	10917	C00487
Carnosine	226.9512	52.8	439224	C00386
Choline	104.10699	57	305	C00114
Citrulline	176.10297	58.8	9750	C00327
Creatine	132.0768	63	586	C00300
Creatinine	114.0661	63	137319715	C00791
Dimethylarginine	203.15025	597	123831	C03626
gamma-Glutamylphenylalanine	295.12884	480	111299
Glucose	203.05261	480	5793	C00031
Glutamic acid	148.06043	438	33032	C00025
Glutamine	147.07642	96	5961	C00064
Hypoxanthine	137.04579	96	135398638	C00262
Imidazolepropionic acid	141.06592	79.8	70630
Indoleacetic acid	174.05495	477	802	C00954
Inosine	269.08768	196.2	135398641	C00294
Isoleucine	132.10191	54.6	6306	C00407
Kynurenic acid	190.04987	471	3845	C01717
Kynurenine	209.09207	52.8	161166	C00328
Leucine	132.10191	63	6106	C00123
Leu-Phe	279.17031	135	6992310	C11221
Lysine	147.1128	48	5962	C00047
Lyso-phosphatidylcholine	522.3548	816	-	-
Methionine	150.05833	90	6137	C00073
Methylbutyryl-carnitine	246.16998	90	-	-
N6-Acetyllysine	189.12337	300	92832	C02727
N6-Methyladenosine	282.11968	61.2	102175
N-6-Trimethyllysine	189.15976	103.2	440120	C03793
N-Acetylarginine	217.12952	84	67427
N-Acetylasparagine	175.07133	72	99715
N-Acetyl-beta-alanine	132.06552	108	76406	C01073
N-Acetylleucine	174.11247	575.4	70912	C02710
N-Acetylmethionine	192.06889	456	448580	C02712
N-Acetyltryptophan	247.1077	621.6	700653
N-Acetyltyrosine	224.09173	54	68310	C01657
Nicotinic acid	124.03945	88.2	938	C00253
N-Methyl-D-aspartic acid	148.06043	60	22880	C12269
Pantothenic acid	220.11795	390	6613
Phenylalanine	166.08626	300	6140	C00079
Proline	116.07061	61.2	145742	C00148
Pyroglutamic acid	130.04987	103.2	7405	C01879
Quinaldic acid	246.16998	492	7124	C06325
Serotonin	177.10224	222	5202	C00780
Spermidine	146.16517	48	1102	C00315
Spermine	203.22302	49.2	1103	C00750
Threonine	120.06574	56.4	6288	C00188
trans-4-Hydroxyproline	132.06552	88.8	5810	C01157
Trimethylamine	60.08157	103.2	1146	C00565
Tryptophan	205.09715	429	6305	C00078
Tyrosine	182.08117	124.8	6057	C00082
Urocanic acid	139.0502	222	736715	C00785
Valine	118.08626	81	6287	C00183
Xanthine	153.0407	87	1188	C00385
Xanthurenic acid	206.04478	445.2	5699	C02470
METABOLITES_END
#END