#METABOLOMICS WORKBENCH FienVerdoodt_20251114_051952 DATATRACK_ID:6697 STUDY_ID:ST004370 ANALYSIS_ID:AN007300 PROJECT_ID:PR002768
VERSION             	1
CREATED_ON             	November 19, 2025, 5:47 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 - fecal metabolome
ST:STUDY_TYPE                    	Double-blinded placebo controlled dietary trial in dogs - Fecal metabolome
ST:STUDY_SUMMARY                 	Fecal 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           	26	Dog26T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf028.raw; RAW_FILE_NAME(mzXML file name)=240716_sf028.mzXML; Sex=Ms; Breed=Border Collie; Age=5; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	30	Dog30T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf029.raw; RAW_FILE_NAME(mzXML file name)=240716_sf029.mzXML; Sex=Ms; Breed=Yorkshire Terrier; Age=9; Weight=7.5; AgeGroup=senior; BCS=6
SUBJECT_SAMPLE_FACTORS           	1	Dog1T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf030.raw; RAW_FILE_NAME(mzXML file name)=240716_sf030.mzXML; Sex=Fe; Breed=CV; Age=10; Weight=16.6; AgeGroup=geriatric; BCS=5
SUBJECT_SAMPLE_FACTORS           	29	Dog29T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf033.raw; RAW_FILE_NAME(mzXML file name)=240716_sf033.mzXML; Sex=Ma; Breed=Poedel Middenslag; Age=7; Weight=5.1; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	17	Dog17T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf035.raw; RAW_FILE_NAME(mzXML file name)=240716_sf035.mzXML; Sex=Ma; Breed=Cane Corso Italiano; Age=3; Weight=49; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	37	Dog37T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf041.raw; RAW_FILE_NAME(mzXML file name)=240716_sf041.mzXML; Sex=Ma; Breed=Schnauzer middenslag; Age=4; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	7	Dog7T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf042.raw; RAW_FILE_NAME(mzXML file name)=240716_sf042.mzXML; Sex=Ms; Breed=Engelse bulldog; Age=5; Weight=23.2; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	42	Dog42T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf044.raw; RAW_FILE_NAME(mzXML file name)=240716_sf044.mzXML; Sex=Ma; Breed=Beagle; Age=2; Weight=21.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	21	Dog21T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf045.raw; RAW_FILE_NAME(mzXML file name)=240716_sf045.mzXML; Sex=Fs; Breed=Duitse staander; Age=4; Weight=32; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	9	Dog9T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf048.raw; RAW_FILE_NAME(mzXML file name)=240716_sf048.mzXML; Sex=Ms; Breed=CV; Age=1; Weight=38.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	4	Dog4T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf050.raw; RAW_FILE_NAME(mzXML file name)=240716_sf050.mzXML; Sex=Fe; Breed=American Cocker Spaniel; Age=5; Weight=16.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	4	Dog4T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf055.raw; RAW_FILE_NAME(mzXML file name)=240716_sf055.mzXML; Sex=Fe; Breed=American Cocker Spaniel; Age=5; Weight=16.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	42	Dog42T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf057.raw; RAW_FILE_NAME(mzXML file name)=240716_sf057.mzXML; Sex=Ma; Breed=Beagle; Age=2; Weight=21.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	11	Dog11T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf059.raw; RAW_FILE_NAME(mzXML file name)=240716_sf059.mzXML; Sex=Ma; Breed=Rottweiler; Age=3; Weight=52.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	39	Dog39T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf060.raw; RAW_FILE_NAME(mzXML file name)=240716_sf060.mzXML; Sex=Fs; Breed=Vizsla; Age=1; Weight=15.4; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	1	Dog1T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf061.raw; RAW_FILE_NAME(mzXML file name)=240716_sf061.mzXML; Sex=Fe; Breed=CV; Age=10; Weight=16.6; AgeGroup=geriatric; BCS=5
SUBJECT_SAMPLE_FACTORS           	18	Dog18T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf062.raw; RAW_FILE_NAME(mzXML file name)=240716_sf062.mzXML; Sex=Fe; Breed=Engelse Cocker spaniel; Age=2; Weight=17.3; AgeGroup=adult; BCS=7
SUBJECT_SAMPLE_FACTORS           	8	Dog8T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf063.raw; RAW_FILE_NAME(mzXML file name)=240716_sf063.mzXML; Sex=Ma; Breed=Shih Tzu; Age=7; Weight=8.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	25	Dog25T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf069.raw; RAW_FILE_NAME(mzXML file name)=240716_sf069.mzXML; Sex=Fs; Breed=Border Collie; Age=1; Weight=21.55; AgeGroup=adult; BCS=4
SUBJECT_SAMPLE_FACTORS           	35	Dog35T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf070.raw; RAW_FILE_NAME(mzXML file name)=240716_sf070.mzXML; Sex=Fs; Breed=CV; Age=2; Weight=8.7; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	10	Dog10T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf071.raw; RAW_FILE_NAME(mzXML file name)=240716_sf071.mzXML; Sex=Ma; Breed=Dalmatiër; Age=2; Weight=33.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	12	Dog12T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf072.raw; RAW_FILE_NAME(mzXML file name)=240716_sf072.mzXML; Sex=Fs; Breed=Friese stabij; Age=7; Weight=16.5; AgeGroup=senior; BCS=4
SUBJECT_SAMPLE_FACTORS           	28	Dog28T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf073.raw; RAW_FILE_NAME(mzXML file name)=240716_sf073.mzXML; Sex=Fs; Breed=Australische Herdershond; Age=6; Weight=28.3; AgeGroup=senior; BCS=7
SUBJECT_SAMPLE_FACTORS           	3	Dog3T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf074.raw; RAW_FILE_NAME(mzXML file name)=240716_sf074.mzXML; Sex=Ma; Breed=Franse bulldog; Age=2; Weight=16.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	20	Dog20T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf076.raw; RAW_FILE_NAME(mzXML file name)=240716_sf076.mzXML; Sex=Ma; Breed=Border Collie; Age=8; Weight=28; AgeGroup=geriatric; BCS=6
SUBJECT_SAMPLE_FACTORS           	24	Dog24T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf077.raw; RAW_FILE_NAME(mzXML file name)=240716_sf077.mzXML; Sex=Fs; Breed=Sint Bernard; Age=3; Weight=60.8; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	27	Dog27T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf078.raw; RAW_FILE_NAME(mzXML file name)=240716_sf078.mzXML; Sex=Ma; Breed=Zwitserse Witte herder; Age=1; Weight=38.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	38	Dog38T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf083.raw; RAW_FILE_NAME(mzXML file name)=240716_sf083.mzXML; Sex=Fe; Breed=American Staffordshire terrier; Age=2; Weight=30; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	5	Dog5T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf084.raw; RAW_FILE_NAME(mzXML file name)=240716_sf084.mzXML; Sex=Ma; Breed=Cane corso italiano; Age=3; Weight=48.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	37	Dog37T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf085.raw; RAW_FILE_NAME(mzXML file name)=240716_sf085.mzXML; Sex=Ma; Breed=Schnauzer middenslag; Age=4; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	24	Dog24T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf086.raw; RAW_FILE_NAME(mzXML file name)=240716_sf086.mzXML; Sex=Fs; Breed=Sint Bernard; Age=3; Weight=60.8; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	13	Dog13T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf088.raw; RAW_FILE_NAME(mzXML file name)=240716_sf088.mzXML; Sex=Ma; Breed=Franse bulldog; Age=8; Weight=13; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	18	Dog18T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf090.raw; RAW_FILE_NAME(mzXML file name)=240716_sf090.mzXML; Sex=Fe; Breed=Engelse Cocker spaniel; Age=2; Weight=17.3; AgeGroup=adult; BCS=7
SUBJECT_SAMPLE_FACTORS           	16	Dog16T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf091.raw; RAW_FILE_NAME(mzXML file name)=240716_sf091.mzXML; Sex=Fs; Breed=Jack Russel terrier; Age=7; Weight=7.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	26	Dog26T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf100.raw; RAW_FILE_NAME(mzXML file name)=240716_sf100.mzXML; Sex=Ms; Breed=Border Collie; Age=5; Weight=23; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	3	Dog3T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf103.raw; RAW_FILE_NAME(mzXML file name)=240716_sf103.mzXML; Sex=Ma; Breed=Franse bulldog; Age=2; Weight=16.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	29	Dog29T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf105.raw; RAW_FILE_NAME(mzXML file name)=240716_sf105.mzXML; Sex=Ma; Breed=Poedel Middenslag; Age=7; Weight=5.1; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	39	Dog39T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf111.raw; RAW_FILE_NAME(mzXML file name)=240716_sf111.mzXML; Sex=Fs; Breed=Vizsla; Age=1; Weight=15.4; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	34	Dog34T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf113.raw; RAW_FILE_NAME(mzXML file name)=240716_sf113.mzXML; Sex=Ms; Breed=Border Collie; Age=2; Weight=24.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	19	Dog19T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf115.raw; RAW_FILE_NAME(mzXML file name)=240716_sf115.mzXML; Sex=Ma; Breed=Golden retriever; Age=8; Weight=38.3; AgeGroup=geriatric; BCS=7
SUBJECT_SAMPLE_FACTORS           	33	Dog33T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf119.raw; RAW_FILE_NAME(mzXML file name)=240716_sf119.mzXML; Sex=Ma; Breed=Teckel; Age=5; Weight=10.9; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	21	Dog21T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf125.raw; RAW_FILE_NAME(mzXML file name)=240716_sf125.mzXML; Sex=Fs; Breed=Duitse staander; Age=4; Weight=32; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	30	Dog30T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf127.raw; RAW_FILE_NAME(mzXML file name)=240716_sf127.mzXML; Sex=Ms; Breed=Yorkshire Terrier; Age=9; Weight=7.5; AgeGroup=senior; BCS=6
SUBJECT_SAMPLE_FACTORS           	6	Dog6T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf128.raw; RAW_FILE_NAME(mzXML file name)=240716_sf128.mzXML; Sex=Ma; Breed=Australische herdershond; Age=7; Weight=24.8; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	8	Dog8T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf129.raw; RAW_FILE_NAME(mzXML file name)=240716_sf129.mzXML; Sex=Ma; Breed=Shih Tzu; Age=7; Weight=8.5; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	27	Dog27T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf132.raw; RAW_FILE_NAME(mzXML file name)=240716_sf132.mzXML; Sex=Ma; Breed=Zwitserse Witte herder; Age=1; Weight=38.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	12	Dog12T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf133.raw; RAW_FILE_NAME(mzXML file name)=240716_sf133.mzXML; Sex=Fs; Breed=Friese stabij; Age=7; Weight=16.5; AgeGroup=senior; BCS=4
SUBJECT_SAMPLE_FACTORS           	19	Dog19T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf134.raw; RAW_FILE_NAME(mzXML file name)=240716_sf134.mzXML; Sex=Ma; Breed=Golden retriever; Age=8; Weight=38.3; AgeGroup=geriatric; BCS=7
SUBJECT_SAMPLE_FACTORS           	9	Dog9T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf139.raw; RAW_FILE_NAME(mzXML file name)=240716_sf139.mzXML; Sex=Ms; Breed=CV; Age=1; Weight=38.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	25	Dog25T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf143.raw; RAW_FILE_NAME(mzXML file name)=240716_sf143.mzXML; Sex=Fs; Breed=Border Collie; Age=1; Weight=21.55; AgeGroup=adult; BCS=4
SUBJECT_SAMPLE_FACTORS           	10	Dog10T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf144.raw; RAW_FILE_NAME(mzXML file name)=240716_sf144.mzXML; Sex=Ma; Breed=Dalmatiër; Age=2; Weight=33.6; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	34	Dog34T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf154.raw; RAW_FILE_NAME(mzXML file name)=240716_sf154.mzXML; Sex=Ms; Breed=Border Collie; Age=2; Weight=24.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	5	Dog5T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf156.raw; RAW_FILE_NAME(mzXML file name)=240716_sf156.mzXML; Sex=Ma; Breed=Cane corso italiano; Age=3; Weight=48.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	13	Dog13T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf157.raw; RAW_FILE_NAME(mzXML file name)=240716_sf157.mzXML; Sex=Ma; Breed=Franse bulldog; Age=8; Weight=13; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	11	Dog11T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf158.raw; RAW_FILE_NAME(mzXML file name)=240716_sf158.mzXML; Sex=Ma; Breed=Rottweiler; Age=3; Weight=52.4; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	28	Dog28T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf159.raw; RAW_FILE_NAME(mzXML file name)=240716_sf159.mzXML; Sex=Fs; Breed=Australische Herdershond; Age=6; Weight=28.3; AgeGroup=senior; BCS=7
SUBJECT_SAMPLE_FACTORS           	17	Dog17T0	Sample source:Feces | Diet:Placebo | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf160.raw; RAW_FILE_NAME(mzXML file name)=240716_sf160.mzXML; Sex=Ma; Breed=Cane Corso Italiano; Age=3; Weight=49; AgeGroup=adult; BCS=3
SUBJECT_SAMPLE_FACTORS           	38	Dog38T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf161.raw; RAW_FILE_NAME(mzXML file name)=240716_sf161.mzXML; Sex=Fe; Breed=American Staffordshire terrier; Age=2; Weight=30; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	16	Dog16T0	Sample source:Feces | Diet:MCT | Timepoint:0	RAW_FILE_NAME(RAW file name)=240716_sf167.raw; RAW_FILE_NAME(mzXML file name)=240716_sf167.mzXML; Sex=Fs; Breed=Jack Russel terrier; Age=7; Weight=7.5; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	33	Dog33T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf168.raw; RAW_FILE_NAME(mzXML file name)=240716_sf168.mzXML; Sex=Ma; Breed=Teckel; Age=5; Weight=10.9; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	6	Dog6T3	Sample source:Feces | Diet:Placebo | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf172.raw; RAW_FILE_NAME(mzXML file name)=240716_sf172.mzXML; Sex=Ma; Breed=Australische herdershond; Age=7; Weight=24.8; AgeGroup=senior; BCS=5
SUBJECT_SAMPLE_FACTORS           	7	Dog7T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf173.raw; RAW_FILE_NAME(mzXML file name)=240716_sf173.mzXML; Sex=Ms; Breed=Engelse bulldog; Age=5; Weight=23.2; AgeGroup=adult; BCS=5
SUBJECT_SAMPLE_FACTORS           	20	Dog20T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf174.raw; RAW_FILE_NAME(mzXML file name)=240716_sf174.mzXML; Sex=Ma; Breed=Border Collie; Age=8; Weight=28; AgeGroup=geriatric; BCS=6
SUBJECT_SAMPLE_FACTORS           	35	Dog35T3	Sample source:Feces | Diet:MCT | Timepoint:3	RAW_FILE_NAME(RAW file name)=240716_sf175.raw; RAW_FILE_NAME(mzXML file name)=240716_sf175.mzXML; Sex=Fs; Breed=CV; Age=2; Weight=8.7; AgeGroup=adult; BCS=6
SUBJECT_SAMPLE_FACTORS           	blank	blank1	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf039_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf039_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank2	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf053_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf053_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank3	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf067_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf067_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank4	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf081_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf081_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank5	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf095_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf095_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank6	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf109_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf109_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank7	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf123_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf123_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank8	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf137_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf137_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank9	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf151_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf151_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	blank	blank10	Sample source:solvent | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf165_blank.raw; RAW_FILE_NAME(mzXML file name)=240716_sf165_blank.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC01	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf023_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf023_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC02	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf024_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf024_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC03	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf025_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf025_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC04	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf026_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf026_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC11	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf037_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf037_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC13	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf040_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf040_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC21	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf051_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf051_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC23	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf054_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf054_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC31	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf065_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf065_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC33	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf068_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf068_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC41	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf079_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf079_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC43	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf082_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf082_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC51	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf093_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf093_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC53	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf096_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf096_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC61	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf107_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf107_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC63	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf110_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf110_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC71	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf121_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf121_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC73	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf124_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf124_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC81	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf135_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf135_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC83	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf138_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf138_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC91	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf149_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf149_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC93	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf152_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf152_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC101	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf163_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf163_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC103	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf166_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf166_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC111	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf176_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf176_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC12	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf038_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf038_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC22	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf052_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf052_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC32	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf066_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf066_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC42	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf080_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf080_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC52	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf094_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf094_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC62	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf108_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf108_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC72	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf122_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf122_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC82	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf136_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf136_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC92	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf150_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf150_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC102	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf164_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf164_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	QC112	Sample source:pool | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf177_QC.raw; RAW_FILE_NAME(mzXML file name)=240716_sf177_QC.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 1.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf010_std1.raw; RAW_FILE_NAME(mzXML file name)=240716_sf010_std1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 1.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf178_std1.raw; RAW_FILE_NAME(mzXML file name)=240716_sf178_std1.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 10.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf019_std10.raw; RAW_FILE_NAME(mzXML file name)=240716_sf019_std10.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 10.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf187_std10.raw; RAW_FILE_NAME(mzXML file name)=240716_sf187_std10.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 2.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf011_std2.raw; RAW_FILE_NAME(mzXML file name)=240716_sf011_std2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 2.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf179_std2.raw; RAW_FILE_NAME(mzXML file name)=240716_sf179_std2.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 3.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf012_std3.raw; RAW_FILE_NAME(mzXML file name)=240716_sf012_std3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 3.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf180_std3.raw; RAW_FILE_NAME(mzXML file name)=240716_sf180_std3.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 4.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf013_std4.raw; RAW_FILE_NAME(mzXML file name)=240716_sf013_std4.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 4.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf181_std4.raw; RAW_FILE_NAME(mzXML file name)=240716_sf181_std4.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 5.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf014_std5.raw; RAW_FILE_NAME(mzXML file name)=240716_sf014_std5.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 5.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf182_std5.raw; RAW_FILE_NAME(mzXML file name)=240716_sf182_std5.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 6.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf015_std6.raw; RAW_FILE_NAME(mzXML file name)=240716_sf015_std6.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 6.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf183_std6.raw; RAW_FILE_NAME(mzXML file name)=240716_sf183_std6.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 7.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf016_std7.raw; RAW_FILE_NAME(mzXML file name)=240716_sf016_std7.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 7.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf184_std7.raw; RAW_FILE_NAME(mzXML file name)=240716_sf184_std7.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 8.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf017_std8.raw; RAW_FILE_NAME(mzXML file name)=240716_sf017_std8.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 8.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf185_std8.raw; RAW_FILE_NAME(mzXML file name)=240716_sf185_std8.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 9.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf018_std9.raw; RAW_FILE_NAME(mzXML file name)=240716_sf018_std9.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD 9.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf186_std9.raw; RAW_FILE_NAME(mzXML file name)=240716_sf186_std9.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD epi.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf021_stdEpi.raw; RAW_FILE_NAME(mzXML file name)=240716_sf021_stdEpi.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD epi.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf189_stdEpi.raw; RAW_FILE_NAME(mzXML file name)=240716_sf189_stdEpi.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD Fien.1	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf020_stdF.raw; RAW_FILE_NAME(mzXML file name)=240716_sf020_stdF.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
SUBJECT_SAMPLE_FACTORS           	-	STD Fien.2	Sample source:standard mixture | Diet:- | Timepoint:-	RAW_FILE_NAME(RAW file name)=240716_sf188_stdF.raw; RAW_FILE_NAME(mzXML file name)=240716_sf188_stdF.mzXML; Sex=-; Breed=-; Age=-; Weight=-; AgeGroup=-; BCS=-
#COLLECTION
CO:COLLECTION_SUMMARY            	Freshly voided fecal samples were collected at T0 and T3, within 15 minutes,
CO:COLLECTION_SUMMARY            	frozen, and stored at -20°C for a maximum of 24 h at home by the owners until
CO:COLLECTION_SUMMARY            	cooled transport. After arrival at the research facility, fecal samples were
CO:COLLECTION_SUMMARY            	aliquoted for DNA extraction and 16S rRNA sequencing (stored at -20°C), and
CO:COLLECTION_SUMMARY            	metabolome analysis (stored at -80°C). Fecal aliquots for metabolome analysis
CO:COLLECTION_SUMMARY            	were subjected to 72 h of lyophilization to facilitate homogenization. T0 =
CO:COLLECTION_SUMMARY            	Before the start of the placebo-controlled dietary trial. All dogs did receive
CO:COLLECTION_SUMMARY            	an identical, adult maintenance diet for at least 21 days before the collection
CO:COLLECTION_SUMMARY            	of T0 samples. T3 = At the end of the placebo-controlled dietary trial, i.e.
CO:COLLECTION_SUMMARY            	following 3 months on either placebo or medium chain triglycerides (MCT) diet.
CO:COLLECTION_SUMMARY            	(NOTE: Fe=female entire, Fs=female spayed, Ma=male intact, Ms=male neutered;
CO:COLLECTION_SUMMARY            	BCS=body condition score 1-9)
CO:SAMPLE_TYPE                   	Feces
CO:COLLECTION_METHOD             	Collected by owner and frozen within 15 minutes
CO:COLLECTION_LOCATION           	Belgium - at home dog owners
CO:COLLECTION_FREQUENCY          	twice per dog (T0 and T3)
CO:STORAGE_CONDITIONS            	-80℃
#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 fecal metabolome, 200 mg of lyophilized homogenized feces
SP:SAMPLEPREP_SUMMARY            	was dissolved in 4 mL of ultrapure water, after the addition of 25 µL ISTD
SP:SAMPLEPREP_SUMMARY            	mixture (100 ng/µl of tyrosine-d2, phenylalanine-d2, deoxycholic acid-d4,
SP:SAMPLEPREP_SUMMARY            	l-alanine-d3 and dopamine-d4). Subsequent to 30 s of thorough vortexing, 1 mL of
SP:SAMPLEPREP_SUMMARY            	an ice-cold methanol and ultrapure water (80:20, v/ v) mixture was added. The
SP:SAMPLEPREP_SUMMARY            	supernatant of the solid-liquid extraction was collected after 1 min of
SP:SAMPLEPREP_SUMMARY            	vortexing and 10 min of rotation, followed by a 10-min centrifugation step (13
SP:SAMPLEPREP_SUMMARY            	300 x g, at 4 %C). Next, the extract was passed over a polyamide filter
SP:SAMPLEPREP_SUMMARY            	(diameter of 25mm and pore size of 0.45 mm) (Machery-Nagel, Düren, Germany),
SP:SAMPLEPREP_SUMMARY            	diluted (1:3) with ultrapure water and transferred to a glass HPLCvial.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	4℃
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              	16/07/2024
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
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                    	Negative
MS:SPRAY_VOLTAGE                 	- 5 kV
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	iQC normalized AUC
MS_METABOLITE_DATA_START
Samples	Dog1T3	Dog1T0	Dog3T0	Dog3T3	Dog4T0	Dog4T3	Dog5T0	Dog5T3	Dog6T0	Dog6T3	Dog7T0	Dog7T3	Dog8T3	Dog8T0	Dog9T3	Dog9T0	Dog10T0	Dog10T3	Dog11T0	Dog11T3	Dog12T0	Dog12T3	Dog13T0	Dog13T3	Dog16T3	Dog16T0	Dog17T3	Dog17T0	Dog18T3	Dog18T0	Dog19T0	Dog19T3	Dog20T0	Dog20T3	Dog21T3	Dog21T0	Dog24T3	Dog24T0	Dog25T0	Dog25T3	Dog26T0	Dog26T3	Dog27T3	Dog27T0	Dog28T3	Dog28T0	Dog29T3	Dog29T0	Dog30T3	Dog30T0	Dog33T0	Dog33T3	Dog34T0	Dog34T3	Dog35T0	Dog35T3	Dog37T3	Dog37T0	Dog38T0	Dog38T3	Dog39T3	Dog39T0	Dog42T3	Dog42T0
Factors	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:0	Sample source:Feces | Diet:MCT | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0	Sample source:Feces | Diet:Placebo | Timepoint:3	Sample source:Feces | Diet:Placebo | Timepoint:0
2-Hydroxy-3-methylbutyric acid	0.115356539	1.213560065	4.860657392	0.809226481	1.708747574	1.092213481	0.537457339	3.353173015	0.605342507	0.251851626	0.875690666	0.615167425	1.048770446	2.550557106	0.159829665	0.447353897	1.432768901	0.117936996	2.256725309	0.475401959	1.560045041	0.659757018	3.42810627	3.58628891	0.197718352	0.161195784	0.430229595	0.557294436	0.175180755	2.283846594	0.098358265	0.16253445	2.933683385	0.378752111	0.020798218	1.152771747	1.533873743	0.661247094	0.385687135	0.111583436	0.274083264	0.157366559	0.816692361	0.051228962	0.07981993	0.533950719	2.71672683	2.840860095	0.836006005	0.970064104	1.266511966	0.970918747	2.356171113	0.171446244	0.365596118	0.038481259	1.131119106	0.373616173	0.52035614	0.123815221	0.4771544	1.274938318	0.143874025	1.3903882
2-Hydroxyphenylacetic acid	0.739440338	0.81897212	0.416988894	0.867295341	0.756263655	0.634299649	0.911829448	0.396461737	0.873053216	0.948475051	0.979119575	2.042826017	0.719283896	0.807053613	0.767301284	0.771970032	0.662827801	0.615349888	1.037629827	1.845651768	1.167175087	1.323149231	0.372819898	0.382580671	0.914290553	1.049648039	1.996294481	1.225409363	1.491639347	1.293708762	2.415015841	0.508377059	2.203274222	1.454572116	1.632691484	0.374094464	0.57350528	1.898910625	0.625739906	1.143884284	2.10877804	0.608795194	0.726093903	3.279839179	1.223835428	0.794874642	0.546261184	0.844521855	0.352226134	0.530015587	0.355807006	0.523421725	0.571526284	0.714640388	0.725942204	0.731102571	0.364055556	1.014828633	0.904752052	1.023329241	0.558584178	0.447358428	0.949284474	0.927045541
3-Hydroxphenylacetic acid	0.534690583	0.382561427	0.164258312	0.390082749	0.312074902	0.230963897	0.469845263	0.198177397	0.686026715	0.798757977	0.746824901	0.802198352	0.28804909	0.299919105	0.457304916	0.366104464	0.639730331	1.456552022	0.657457371	0.904998005	0.321995168	0.889738934	0.194294283	0.36692119	0.293265289	0.945233689	0.969965884	0.59608608	2.036262039	0.719763641	6.324120147	4.215960679	1.738749832	0.88562228	1.255231157	0.55437843	0.570886709	0.552318865	0.333590895	0.399667413	1.409856847	1.544585589	3.163869651	1.930173506	1.703298117	0.482193423	0.18497539	0.363252276	0.331335642	0.394668718	0.132660573	0.337296507	1.244383973	1.722050189	0.278726525	0.494326523	0.279358605	0.364771367	0.65428321	2.40230539	0.314924469	0.434478675	0.978996073	0.740371763
3-Hydroxyisovaleric acid	1.026593822	0.529062306	0.389329342	0.784314412	0.792092998	0.781317156	0.679030503	0.449664511	0.780077033	0.721010237	1.088018033	0.99986351	0.918890488	0.874200416	1.154840441	0.739686449	0.685844072	1.238672135	1.031258394	1.290784737	0.694341753	1.378591913	0.530984873	0.876061373	1.016839999	1.295747832	1.21948614	0.884449583	1.206220808	0.900338807	2.148655329	1.636371717	0.849719087	1.292911796	0.630423347	0.704403235	0.738828551	0.927798876	0.706080238	1.208260815	1.197564558	1.359958823	1.178486949	1.523139621	1.091875835	1.33639384	0.408250846	0.814754935	0.299730099	0.394021605	0.551641437	0.397005779	1.636212812	1.819219824	0.905349756	1.041863146	0.767322712	0.963071012	0.949621564	1.141320288	0.617765921	0.707190472	0.8597981	0.79079117
3-Hydroxymethylglutaric acid	0.505589617	2.116259403	0.590453137	0.448509922	1.017814308	1.053968997	0.69946057	2.814533198	1.312718227	0.417352259	0.54093573	0.171837703	0.310571517	0.580784778	0.394860088	0.558500096	0.513711084	0.300450987	1.218589935	0.316634014	1.428938913	0.353406036	1.467969656	0.329711446	0.250930067	0.425626877	0.388327614	0.5937617	0.356614021	0.918001696	0.282306965	0.164200481	1.096928681	0.376839246	0.134658949	0.882606808	0.629327459	0.413464014	0.192175552	0.282670727	1.453022664	0.340339159	0.322211168	0.667468053	0.345778502	0.681772895	0.749091323	5.191954322	1.163048502	3.70321356	2.507866323	0.577522811	1.390925267	0.335637519	0.290797027	0.293961269	0.886333149	0.314300763	1.087798896	0.260048051	0.532738888	0.294668482	0.303788239	0.684982808
4-Hydroxybenzoic acid	0.610999696	0.406783321	0.470186122	0.96049515	0.988897704	0.989653313	0.852425546	0.927015496	0.914430122	0.634520359	0.927258026	0.790407686	0.613103039	0.520801366	0.913991397	0.838523731	0.839049684	1.006292568	1.691315721	1.126027629	0.770641047	1.125979539	0.445368427	0.860155042	0.821238064	1.272638414	1.470340328	1.328328573	0.814018669	0.950068348	1.133765539	0.107343427	0.963022758	1.185907205	0.246159025	0.425941622	1.208306655	1.348867726	0.685556122	0.862558603	0.932362035	0.924167458	5.918339045	1.156367493	1.104110332	1.003887298	0.761626001	1.022913625	0.729271313	0.867099035	0.662754072	0.479585049	1.084537528	1.264978787	0.545226805	0.751589621	0.910881772	0.679235495	1.172869141	1.119150581	1.299027876	0.678021699	0.710641867	0.88079751
4-Hydroxyphenylacetic acid	0.43809047	0.399747381	0.366135588	0.43476455	0.508933028	0.468729043	0.467143425	0.521223861	1.146668612	1.740571641	0.542843169	0.878116938	0.35861061	0.416797519	0.224017834	0.457306873	0.695585762	0.454507353	0.738287515	0.832081797	0.700806823	1.075662443	0.317081973	0.874371367	0.096384127	1.020841403	1.278799418	0.776138512	1.378770686	1.336460513	1.249228838	0.168552985	6.028978001	0.902538224	3.772167828	0.856166053	0.719874074	0.680262716	0.255756145	0.290517184	2.920658961	0.195878326	0.531314936	4.179038824	0.826233691	0.772030095	0.536746725	0.170682713	0.592683931	0.311544615	0.260149582	0.417946265	0.683444989	1.104473179	0.309750693	0.855803027	0.527211212	0.976797037	0.424049267	0.99744742	0.372169408	0.429818401	0.747724554	0.849925791
7-Ketodeoxycholic acid	0.453292817	2.466056536	3.029778374	0.047156082	1.959038064	0.094657504	1.254991606	3.880502045	0.878868217	0.34179708	0.318659935	0.394989697	0.645649611	0.197437381	0.350559209	1.236705186	0.095703211	0.17748454	1.239337545	0.557378689	0.350434143	0.281844325	1.036780078	0.093800493	0.167115784	0.156047514	0.348272383	0.26157314	0.22179263	0.223619694	0.239697804	0.568484513	0.534100572	0.240827763	0.271464937	0.207490023	0.533783735	0.342909535	0.321434961	0.518934717	0.829940869	0.093720441	0.087221518	1.850449541	0.129360045	2.080917837	0.599020423	0.298494173	0.160105721	0.23583091	2.428256963	1.261040264	0.493573665	0.231582588	0.25470863	0.229453173	1.126743096	1.715535945	0.477628323	0.767110151	0.457333044	0.31259791	0.296396728	3.207719848
Cholic acid	0.806718104	1.660283783	1.098475134	0.159855678	0.96790015	0.368021229	0.938240134	1.368219824	0.652442685	0.384382418	0.370291355	0.433855569	0.991397617	0.314934065	0.222283946	1.024712144	0.155547311	0.099059174	0.987287424	0.592058772	0.554872083	0.327327111	0.805581697	0.280000366	0.334780491	0.370477596	0.258925888	0.254045454	0.29012411	0.394704256	0.34435272	0.862443207	0.497175315	0.452374209	0.199501515	0.530516292	0.658567991	0.29574583	0.274325823	0.446362739	0.658162749	0.149421401	0.146883022	1.056082632	0.300631362	0.998813065	1.252426524	0.285444736	0.446437265	0.374600347	1.181410715	0.981043192	0.60776182	0.336948724	0.629821501	0.829538841	0.940222261	1.128298293	0.524391772	0.606869431	0.538125472	0.331250217	0.286856068	1.548063661
Deoxycholic acid	1.253233991	1.082467099	0.02542808	0.689247829	1.015107611	0.865173746	0.832979933	0.025366067	0.982119303	0.937972856	0.920030681	1.201594695	1.126142875	0.711527054	0.598495304	0.643826691	0.637178228	1.071442818	1.012221988	0.934728588	0.983040638	0.854527057	1.189025773	0.913836839	0.830536067	0.962127421	0.932155663	0.799688133	0.733661656	0.822241507	1.140476694	1.040593925	0.912078215	1.123953466	0.840773323	1.0389582	0.918486451	1.078932911	0.909004332	0.940193966	0.900776747	0.925029329	0.687759992	0.919024555	0.85387686	1.316326387	1.019839317	0.978294471	1.194390861	0.676932521	1.102018527	0.914968051	0.669527862	0.941076395	1.133414695	1.194386543	1.176161669	1.462064435	0.868974749	1.035499584	0.68744767	0.967311284	1.066715908	1.325225611
Deoxyuridine	0.376043537	0.217069189	0.357793533	0.994607182	1.320710173	0.845420431	0.11664535	0.667080218	1.318901271	0.841734876	1.09285213	0.368446107	3.040984988	2.02675424	1.069506534	0.476609082	0.268432205	0.766988076	0.302785145	0.562705368	1.157052335	0.447014501	0.730601847	1.150798278	0.912911721	0.25203533	0.619741991	0.984024999	0.458188655	0.309073094	0.420970368	0.646086025	0.166258284	0.404163086	0.902626114	0.836490226	0.154494646	1.247272325	0.098091563	0.408711371	1.665612991	0.536550862	0.475859955	0.678970005	0.190617343	0.175077043	2.858373227	1.014365782	0.598376828	0.780746392	1.518517412	2.523970888	0.30295462	0.273336669	0.731548151	1.944272511	1.64923718	1.515324648	0.283122867	0.363708832	0.805836959	0.568232484	1.432357259	1.679365924
Fumaric acid	0.140161836	0.247336237	1.481776769	0.949061374	0.56822725	0.800928579	0.216064494	0.213342629	0.474983786	0.334623696	0.333959374	0.178194004	2.0443613	0.692137857	0.118448529	0.303680422	0.37216766	0.209102659	0.378155877	0.239284741	0.852335234	0.282920056	0.122256835	0.088864915	0.390105829	0.145843558	0.310890869	0.384511273	0.107419168	0.61952098	0.217653109	0.049682757	0.4960826	0.106005982	0.339816938	0.378756632	0.843252381	0.557231677	0.51068216	0.373059788	0.160495786	0.524434487	0.091574787	0.874835704	0.113241799	0.161322906	1.65895629	0.43137706	0.29679119	0.260909329	0.589029699	1.833984204	0.204772027	0.099942159	0.734439973	1.462682536	0.27328831	0.766766797	0.363421223	0.137032175	1.059971469	0.416594189	0.534978835	0.386833667
Gluconic acid	0.725745602	0.773925636	4.620908267	0.519544212	1.400356261	1.295778068	0.403146776	0.550427434	0.773109823	0.587667163	0.417745964	0.371323809	0.707342969	0.595088113	0.669450795	0.548079897	0.875564734	0.417267284	1.095921259	1.367412714	0.715341529	1.183628372	0.598031614	0.549061793	1.178185747	0.609299081	0.73819062	0.759165289	0.680204488	0.582071149	0.673541578	0.309912471	0.521094045	0.592945423	0.296889987	0.487699274	1.082210281	1.031907775	0.343817527	0.849977402	0.644305583	1.848455539	0.334268457	0.720275416	0.682116117	0.666569849	1.938659416	1.123231697	0.770499276	1.291429178	1.125184935	1.16693867	1.211525237	0.495829254	0.427555604	0.448521375	0.848274879	0.999560064	0.822571895	0.285135094	1.560233467	0.856977874	0.643500636	0.676763565
Glucuronic acid	0.427624615	0.478611102	0.099549296	0.769072448	0.539155299	0.144630658	0.341815786	0.514008372	0.971544952	0.740776293	0.434951678	0.218533018	0.456126014	0.198981359	0.484557538	0.580947098	0.543795089	0.374699708	1.204791863	0.85374633	0.530091794	1.126225481	0.196751614	0.310912764	1.056210741	0.524106738	0.666529372	0.543120931	0.451348515	0.531504467	0.571333898	0.359903046	0.449195898	0.507466519	0.135911144	0.3879992	1.030258196	0.692425621	0.450277374	0.618347954	0.639938721	0.758460407	0.346663472	0.717178336	0.538323387	0.587419997	1.618140753	1.047558158	0.238474227	0.296551506	0.371220764	0.784650791	0.997941285	0.403773243	0.264066179	0.26311955	0.366096144	0.266373566	0.737981384	0.362217311	1.355112602	0.805770195	0.621400561	0.578209408
Glyceric acid	0.740881922	1.066905774	1.090409937	1.33379716	1.219379684	0.869511116	1.103894075	0.534075683	1.921810672	1.633321068	0.487599893	0.429292402	1.172686182	1.112457328	0.727856794	1.281321541	0.605896214	0.282710603	0.805918287	1.141660784	1.034992037	1.161874855	0.778802178	0.630238129	0.972661381	0.509218358	0.350553386	0.503668553	0.521703348	1.159473828	0.566157442	0.237409873	1.453714949	0.498374316	0.708511878	1.114176449	1.258522653	1.128742895	0.740343424	1.820231208	0.611677712	2.268487869	0.463166623	1.063169501	0.678099231	0.691155748	4.327012478	1.900585615	1.259064389	2.217408252	1.265084855	1.612938348	0.628857396	0.218601757	0.836136541	0.918902443	1.341349198	2.13690426	0.724531751	0.28298173	2.307162477	1.076001494	0.968515063	0.889022942
Glycoursodeoxycholic acid	1.160450556	2.38614914	0.008035177	0.297977572	0.629732992	0.897867401	1.499656966	0.717870198	1.449722681	1.338619065	0.889912547	0.545256399	0.763624636	0.562891627	1.121214506	0.33938483	0.832208224	0.348132889	3.516064276	1.25480854	2.416010845	1.489879341	0.627002001	0.109366447	0.572231456	1.071256392	0.445733805	1.809992346	0.39922579	1.243763793	0.34093657	0.427189662	3.784741575	1.442598517	0.117814583	0.759205383	0.684476202	2.45186344	0.744361662	1.592046211	0.512517399	0.255999437	0.192058824	1.172401678	0.349908078	2.39193638	0.490478086	0.511598714	0.121607914	0.046023244	1.84581414	0.421534833	1.009415729	0.778540395	1.445554639	1.177182021	4.587626795	2.61946998	1.933655912	0.407564824	0.739775266	1.375175835	2.956868347	1.520152975
Hydroxyphenyllactic acid	0.059291477	1.087403457	7.296550702	0.497173681	1.279260223	0.408396845	0.305143379	0.323115243	0.643445547	0.147229145	0.254339605	0.048789908	0.960702762	1.563427624	0.083218069	0.439055851	0.124722467	0.083283778	0.946845669	0.10822821	2.579464747	0.087728814	4.41337083	0.162145745	0.064284385	0.097885336	0.30075242	0.16959681	0.153207743	0.908169811	0.147666969	0.305702756	3.628610557	0.693790124	0.036709538	0.349232397	0.295120355	1.195422215	0.050315627	0.131129441	0.286004026	0.403478552	0.209807294	0.328954249	0.145739312	0.637281885	0.913557423	5.50150183	2.114550696	2.152588085	2.002180472	1.320084358	0.507928838	0.178957	0.170142682	0.192053025	2.900606424	2.481212699	0.268203931	0.142931269	0.21589819	0.537888007	0.055335513	1.132450228
L-3-Phenyllactic acid	0.919511346	0.156127982	0.814470232	0.080465216	0.101188412	0.044474134	0.915554103	0.036864419	0.028737775	0.013244606	1.521962527	0.978195153	0.938737578	0.190634467	1.779759166	0.886515147	1.035712487	1.465552191	1.222554559	1.418641831	0.167576212	0.04574903	0.490157132	0.027873055	0.756227561	1.489109429	2.092105642	1.112527716	1.778902243	0.128721159	1.576984035	1.670185696	0.334261954	0.015938269	0.483987656	0.066712018	0.380278045	0.018217659	0.446277842	1.029216373	1.802933765	0.988915413	2.11082264	0.91956437	1.071622294	0.033331578	0.183004962	0.339489352	0.263350624	0.224548085	0.290426311	0.198581075	1.592686885	1.964521811	0.02205848	0.015909076	0.346185202	0.446374472	1.487371674	2.156430044	1.210618677	0.693028066	1.476632464	0.528958421
Lactic acid	0.071407225	0.098270276	8.35782687	0.219187671	0.362660785	0.095295117	0.126576097	1.8525294	0.219137212	0.165727162	0.170762902	0.045108207	0.074072086	0.463006643	0.086567927	0.178868499	0.581672542	0.046711999	1.244027877	0.076620555	2.399412498	0.058665554	5.380501488	3.615201864	0.068379324	0.081100815	0.10079619	0.127841882	0.06375589	1.999885979	0.067491306	0.059741898	3.648914108	0.071125275	0.070563046	1.503459856	0.767090515	0.129991473	0.080310425	0.037048237	0.12141477	0.533184655	0.133093071	0.189762886	0.077232287	0.087373096	2.545721351	1.564983895	0.420372207	1.17298207	0.662097883	2.963866856	0.6491399	0.061610822	0.05031008	0.034973676	0.387097015	0.066171471	0.153990791	0.04817596	0.721857739	0.314948846	0.090527641	0.24951681
L-Gulonolactone	0.613757021	0.601189438	0.816438634	0.41279251	0.615969946	0.42368067	0.337306656	12.08703335	0.455180484	0.324622806	1.72434012	0.568083391	0.70052922	1.077829245	0.263088075	0.418061279	0.365074246	0.683864654	0.647608864	0.836067285	0.813870029	0.761240665	1.745325574	1.290078811	0.773747952	0.689189674	0.920388076	0.767438584	0.597539789	0.466931016	0.48561657	0.273563661	0.53854426	1.143474939	0.310925134	0.815042715	0.471720453	0.392473413	0.262734142	0.415102611	0.746050841	0.353195532	1.019827621	0.89233774	0.318450374	0.497359869	0.344779903	0.40804905	1.630540295	0.580090397	0.684516251	0.705260529	0.637856581	0.313521222	0.420793987	0.366226368	0.958711879	1.626512739	0.500118462	0.306692643	1.056801367	0.487440166	0.464565409	0.628307901
Malonic acid	1.525797082	1.326298724	1.614457064	0.908797631	2.304744101	1.342025329	0.549551223	1.169051305	2.155227771	0.811807687	2.985541741	0.905431003	0.799280591	1.794456659	1.237168722	0.354072284	0.955813714	1.204976128	2.303188488	0.957190744	1.707663255	0.990092967	2.05960579	0.938977477	0.790031472	0.686078823	0.507073237	0.773150235	0.486288132	2.049843167	0.288082027	0.709567744	0.905112598	0.565986759	0.959289998	2.3815529	0.53770221	1.93653302	0.844453233	1.037376711	0.728297831	0.321067337	0.524810907	0.629558239	0.20250648	0.339103679	0.345459884	1.562699642	0.602534093	1.612058374	2.176996506	0.793898634	0.823310549	0.207474326	0.154484585	0.513426588	0.86250232	2.091235762	0.904338442	0.808971368	0.71631398	0.763992929	0.652505919	0.896747849
N-Acetylaspartic acid	0.161319775	1.014121039	0.596475017	0.675257954	0.828184505	0.502082876	0.603112723	1.406263986	1.560794964	0.990332706	0.478591364	0.099822865	0.244633879	1.475574749	0.154559887	1.044568796	1.493447406	0.273423753	1.149160727	0.48567428	0.506332246	0.745628557	7.183769688	19.51629134	0.226558513	3.214358995	0.476755086	2.805282322	0.345859262	1.039061216	1.576563835	0.213703291	1.322918781	0.708228998	1.087745235	2.394865255	1.650752903	1.8058532	1.351553415	0.383785948	0.787474536	1.322090894	0.123874907	10.28825485	0.608258448	1.128990525	0.677520859	1.049580093	5.758594924	6.034119164	1.250375491	2.659524422	1.546902981	0.503569189	0.27127125	0.588536661	0.814129583	0.631897328	1.606437997	0.345674525	1.576327241	3.783019091	1.245545854	1.969597169
N-Acetylglutamic acid	0.660267893	0.46091708	1.004010984	0.809010813	0.418352897	0.400651996	0.501404796	1.65045288	0.776229222	0.528025136	0.697722792	0.325725507	1.632906535	1.003673897	0.591012192	0.447481429	0.575694054	0.427559168	0.344872793	0.588517298	0.322721697	0.603189499	0.664189395	3.956827224	0.538793398	0.375129391	0.495851713	0.462817958	0.548655559	0.684829144	0.712272628	0.486693079	2.221031378	0.459791596	1.468323185	0.457824001	0.509747666	0.554304488	0.519457011	0.866431789	0.4225401	7.69139984	0.50282751	7.218115899	0.679236418	0.590897708	1.052347694	0.781892072	0.270844434	0.431606119	0.283286652	0.938654401	0.457882471	0.502315331	0.754263589	1.675162153	0.244673076	1.071480546	0.547517404	0.666449668	0.755545369	0.566930815	0.674645947	0.515980667
N-Acetylneuraminic acid	0.480032119	0.86884352	0.936027413	0.32959048	1.033366464	0.752863932	0.244480443	0.478857055	2.562996846	0.680148353	0.325123193	0.786695956	0.893551623	1.506301713	0.32139649	0.588968244	0.691874314	0.423978134	0.61013856	0.49051875	0.385801468	0.635794694	1.170509785	0.437008455	0.921853801	0.51796224	0.192778444	0.371551556	0.391585141	0.791161835	0.596954183	0.432546181	0.456111652	0.561279778	0.366217561	0.261431025	0.763714488	1.009303182	0.15774841	0.636989802	0.622270322	1.114953223	0.288096917	0.48723525	0.398567954	0.365014628	7.377427733	0.791620183	0.360951795	4.556058603	0.532610568	5.153741173	0.438881967	0.389618808	0.23185653	0.265194231	0.931889008	1.401515936	0.649029731	0.408437532	1.552412051	0.776721441	0.326255172	0.556228508
Ornithine	0.453913361	0.345791593	1.977588768	1.373085323	1.099988299	2.405066055	0.096449077	0.713871953	0.417057841	0.803643076	0.36387668	0.14395097	2.725271561	2.12836247	0.259953442	0.23486579	0.33100916	0.396105185	0.54289393	0.742209308	0.777838389	0.32290456	0.669353157	1.081245977	0.526623258	0.297302176	0.526604335	0.70684672	0.406087781	0.402755404	0.506985762	0.32323615	0.365246526	0.231417735	0.444119854	0.674680677	0.153640728	0.296041291	0.459967362	0.554599666	0.180207352	1.246380838	0.303665345	0.382083685	0.440436727	0.444609639	1.76627577	0.471858444	1.122561102	0.842759639	0.860926229	1.973895909	0.179440067	0.397590317	1.312120489	2.891173827	1.317278059	1.820073756	0.303681488	0.363810868	1.091613693	0.220320721	1.911541537	0.775350943
Quinic acid	0.933313344	2.782930208	0.615277064	0.822139859	1.087997654	1.192187825	0.855389611	3.646028472	1.303912423	0.701969202	0.869752167	0.713515605	0.877179576	0.710946239	1.047015914	0.734711415	1.219798103	7.718350431	1.270404069	0.968808082	0.663673702	0.969224381	1.270658144	0.580669511	1.07415527	0.818399559	0.97062797	0.853737801	0.765549844	0.57607727	0.654228392	0.958679442	0.897564706	1.14408838	1.285031515	0.912886994	0.545922153	0.903309249	0.769409053	0.699784314	1.259324806	0.473276399	0.696850326	1.229904153	1.069797002	1.107226831	0.590355663	0.972496306	1.034693256	3.065078781	4.956713826	0.417135518	1.637287819	1.530108502	1.013281004	0.794491877	1.909692725	0.909000488	0.926616541	0.61160157	1.155738034	72.16274586	0.876821652	0.90625115
Sodium glycocholate hydrate	0.621230774	6.167181792	0.1838314	0.469676572	1.646801286	0.669225294	1.20717947	22.79876798	0.379150541	0.20394784	0.071374266	0.21237995	1.185036849	0.743483154	0.645815342	0.146046128	1.040551483	0.133896997	0.669149452	0.724115788	4.203112039	2.815897734	0.03169201	0.015106472	0.714073579	0.159761134	0.072323875	0.449757058	0.038812923	0.396452901	0.069849046	0.065837833	1.675851098	0.10492714	0.299507687	0.184282464	0.46661665	0.021426511	0.004925754	0.105019801	0.081575113	0.091572954	0.032302513	0.305953089	0.125188302	3.818259471	1.579991059	0.128254052	0.032146023	0.473285781	7.645894012	2.869253394	0.271927608	0.369762223	0.103414192	0.486281896	2.220505804	2.23659212	0.89749106	0.103914789	3.063594011	0.916197315	0.60802476	1.924189954
Succinic acid	0.039868004	1.263554886	1.721093378	2.414450936	2.033385568	3.855155877	0.548646223	5.77800873	0.401234586	2.097226881	0.077637759	0.0445108	0.039150509	0.033932969	0.017205309	0.095829932	0.045863847	0.039400136	0.047346467	0.048112169	0.964486562	0.02902175	0.099622664	0.400291655	0.042168688	0.053463662	0.041587532	0.132777048	0.02198675	0.024345004	0.03110994	0.017810756	0.100892352	0.025426949	0.026325362	3.677402971	0.02510488	0.040356037	0.012256712	0.019267526	0.135770635	0.083766624	0.179696447	0.040890069	0.029108597	0.065439479	0.328300313	0.015399635	2.405288901	2.637469375	2.770444382	3.122362533	0.012996347	0.01795865	0.01000732	0.046839746	5.323140933	0.177513078	0.037519217	0.017673453	0.127336075	0.028165743	0.072172627	0.185386184
Threonic acid	0.81706443	1.123328222	0.916767418	1.19121424	1.467248798	2.796597145	0.53233791	1.825167382	0.626058497	0.95367119	1.079967123	0.827154371	1.119125333	0.658034507	0.306889984	0.861911924	0.52500187	0.229049029	1.210104828	1.683389475	0.770071347	2.064894419	1.436969179	1.067813342	1.104248587	0.152010497	0.500073843	0.745053186	0.583702923	0.992373624	0.579090471	0.2803276	0.883867533	1.319902568	0.294857272	1.010640803	0.69284951	0.964449308	0.550891506	0.262567923	0.704343482	0.968964544	0.753882591	1.807343602	0.430327782	1.487241994	0.529723289	0.806372407	0.79879983	1.980849465	2.514101873	0.845767334	0.760301554	0.192575708	0.451466893	0.289393587	6.428957093	5.191277188	0.503115419	0.292915544	0.560626798	0.397719778	0.471412518	0.816384597
Uric acid	0.617382972	0.77636305	0.642777037	0.66930957	0.886926169	0.17827455	1.093955001	0.139420039	1.087033405	0.921669474	1.671333957	1.484707748	0.82746489	1.259430535	1.318607908	1.267847635	0.606552905	1.141157972	0.209339752	0.416499098	0.253965382	0.384899103	0.16987509	0.29304281	0.512234031	1.056667268	0.754507664	0.55094211	0.865551122	0.85870875	0.768316023	0.911257246	0.392582254	0.417825221	0.490514286	0.396019747	0.680610758	2.035376455	1.363988563	1.448257694	0.848972532	1.732822456	1.490564961	1.096577095	2.08354504	1.182596412	0.686868153	1.049042689	0.15546547	0.275831451	0.264091427	0.236720451	0.95132734	0.96541658	1.53503101	0.863028788	0.093122525	1.093501741	0.525423333	1.165631649	1.009907676	0.803660863	0.704104876	0.489976222
Ursodeoxycholic acid	1.841481541	0.539821762	0.082166646	0.684554931	0.34535104	1.093572769	0.591576308	0.062291661	0.395549342	1.000673933	0.875271509	1.802328559	1.528884232	0.392393622	0.397173039	0.469639572	0.630642163	2.537858969	0.736736901	1.310368627	0.625416061	0.994684813	0.312030702	0.693366395	0.843060592	3.278659285	1.278069611	0.444332061	0.627053075	0.615886479	1.276202766	1.496759787	1.00134742	3.764607576	1.335825551	0.847020429	0.831618654	1.111604974	0.735544706	1.6630247	0.47114134	1.347268399	1.219721847	0.371969739	1.727669797	0.954067757	0.952850484	0.296604339	0.677958508	0.240913134	0.593457667	0.479146364	0.266443309	3.105506965	0.791318115	0.932225917	0.377743345	1.496950934	0.659461038	2.56237291	0.688011645	0.529922847	1.157127025	0.391232571
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	ion	quantified m/z	RT (sec)	PubChem ID	KEGG ID
2-Hydroxy-3-methylbutyric acid	-	117.05408	399	853180
2-Hydroxyphenylacetic acid	-	151.03874	558	11970	C05852
3-Hydroxphenylacetic acid	-	151.03868	528	-	-
3-Hydroxyisovaleric acid	-	117.05411	285	69362
3-Hydroxymethylglutaric acid	-	161.04424	161.4	1662	C03761
4-Hydroxybenzoic acid	-	137.02299	465	135	C00156
4-Hydroxyphenylacetic acid	-	151.03864	498	127	C00642
7-Ketodeoxycholic acid	-	405.2646	696	188292	C04643
Cholic acid	-	407.2803	718.8	221493	C00695
Deoxycholic acid	-	391.28534	781.8	222528	C04483
Deoxyuridine	-	227.06693	171	13712	C00526
Fumaric acid	-	115.00208	114	444972	C00122
Gluconic acid	-	195.05023	60	10690	C00257
Glucuronic acid	-	193.03439	60	94715	C00191
Glyceric acid	-	105.01772	61.2	439194	C00258
Glycoursodeoxycholic acid	-	448.30685	698.4	12310288
Hydroxyphenyllactic acid	-	181.04948	441	440177
L-3-Phenyllactic acid	-	165.05446	603	643327	C05607
Lactic acid	-	89.02274	91.2	107689	C00186
L-Gulonolactone	-	177.03925	66	439373	C01040
Malonic acid	-	103.00208	78	867	C00383
N-Acetylaspartic acid	-	174.03972	90	65065	C01042
N-Acetylglutamic acid	-	188.05537	117	70914	C00624
N-Acetylneuraminic acid	-	308.09871	63	445063	C19910
Ornithine	-	131.08112	57	6262	C00077
Quinic acid	-	191.05513	66	6508	C00296
Sodium glycocholate hydrate	-	464.30176	684	-	-
Succinic acid	-	117.01768	126	1110	C00042
Threonic acid	-	135.02844	60	5460407	C01620
Uric acid	-	167.01978	90	1175	C00366
Ursodeoxycholic acid	-	391.28534	729	31401	C07880
METABOLITES_END
#END