#METABOLOMICS WORKBENCH FienVerdoodt_20251111_070501 DATATRACK_ID:6655 STUDY_ID:ST004369 ANALYSIS_ID:AN007298 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; 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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=-; 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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 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 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 2-Hydroxyglutaric acid 1.042944592 0.878769773 1.007356991 0.762314058 1.966432357 0.856377249 0.971533019 1.087880474 1.565232007 1.554691311 2.277539117 0.937011227 1.035425607 1.577554918 0.958759022 1.231662419 0.845569957 1.00582684 1.553274433 0.954466996 1.471553697 0.994251826 0.941738868 1.732718963 0.852818898 1.291671293 1.20330692 1.399091978 2.319184531 1.108405518 0.941694431 1.629723567 2.688383017 1.113852944 0.979548383 2.458059999 0.618285611 1.162100077 1.376541902 0.902550474 1.166912388 0.821403412 0.951740369 1.265724413 0.816096231 1.472997093 0.913869284 1.026274394 1.236307372 1.075948764 0.765954588 1.063994342 1.442686891 0.906265051 1.30403476 0.965941653 1.676353454 1.158723411 1.995564391 1.201318394 1.468675112 0.927783935 0.802164771 0.760732745 3-Hydroxyisovaleric acid 0.878761539 0.970747046 0.721290163 0.759068046 0.823629233 1.045040326 0.758949907 1.396315916 0.413162955 1.149757586 3.012052939 0.714728697 1.229506995 0.811709317 0.92288322 0.657438868 0.880227023 1.62577646 1.474594283 0.789753909 2.524767641 0.585819899 1.076854591 0.571465544 0.792187406 0.636820014 1.315615067 0.676073663 2.412852419 0.989413064 1.341127248 1.760335711 2.245791371 0.706609381 0.997408313 0.404076871 0.87619148 0.90394123 8.702001307 8.391994671 0.504977936 0.451388324 1.05115636 0.96241704 1.430624191 1.165589419 0.737979432 8.345046927 1.235699288 1.287917071 1.06470881 9.479703028 0.78291882 0.908376337 0.777547085 0.89565848 0.687868125 0.863954257 2.056623088 0.411742297 0.959914023 0.685705795 0.806154738 0.769810419 4-Guanidinobutanoic acid 4.288029291 0.243131929 1.276773707 0.227130026 0.34690612 0.265454435 4.974005958 0.397601736 0.229265356 0.291593858 2.421758361 0.33858179 0.333352712 2.854145127 0.197294284 0.215853986 0.288025553 0.333740379 0.14431654 0.100124649 1.025600946 4.525166442 0.393812246 2.669450173 4.897845501 1.03807856 0.591870896 0.162303221 3.057479004 0.106708011 11.45388515 2.393074074 1.782702308 0.08626944 0.203128058 0.246698695 0.206146057 0.096472388 0.365674586 0.243775825 0.115766993 6.316371524 0.203668765 0.142837879 1.987009414 7.248131392 0.186625464 0.43685773 0.13885963 0.222172876 0.164675664 0.160572659 0.66740589 0.731738601 0.350239589 0.237292931 7.241266907 0.465851143 0.807741497 0.283706326 0.389906858 0.45598149 0.39377065 0.339326964 Cholic acid 2.99308976 0.004706157 0.043048155 0.076761907 0.004706157 0.004592816 3.055416294 1.158390391 0.712575207 9.563696264 1.029907764 0.200461487 0.004354222 0.152997174 0.102943302 0.415695652 0.033403131 0.605621227 0.004604078 0.243749636 0.028547332 0.004604078 0.004604078 0.526631801 0.440760685 0.226200736 15.23269985 0.044694879 0.52137003 0.281457038 0.00421649 0.273173685 1.736446181 0.00421649 0.627022 0.074583419 0.06268288 0.080896869 2.312846163 0.035305274 0.06404405 8.228990178 0.003561441 0.46122976 0.003561441 0.824324407 0.003561441 0.06718889 0.699327363 0.116527984 0.477636021 0.187306314 0.121996436 0.00320692 0.071644661 0.003662691 0.084996601 0.049966256 0.946534386 0.157306178 0.177869524 1.661517789 0.394532613 0.085649656 Citramalic acid 1.306717778 3.136403216 1.647722537 1.368509044 1.04515538 1.084728322 1.227462228 1.134416539 0.66180011 1.272748864 5.261151776 0.939292686 1.526150409 1.601174051 0.938386598 1.262129217 0.988123022 1.446524408 0.726305599 1.29455629 2.263121617 1.528490335 1.145644132 1.513800133 2.076284778 0.755845111 1.06188508 1.083374261 2.110978729 1.517079455 1.942063531 1.471705708 1.702732594 0.88044702 1.367399227 0.622036024 1.046400985 0.891704942 0.881508586 2.419171944 1.276493228 1.609256815 2.824550689 1.537528768 1.372100144 1.584833072 0.992711014 1.078774218 0.933386574 0.950201164 0.967550763 0.876088734 0.95145224 0.626858508 0.894978308 1.108789314 0.789582707 0.656635273 1.224447556 0.785866154 1.426045036 1.352825949 1.117626742 0.686007776 Gluconic acid 0.96645159 2.135064801 1.861428013 0.653836359 0.050172439 1.570800426 0.080584054 0.808417128 2.105500828 3.291060399 1.870361122 1.697125147 0.579083339 1.949417672 1.887294863 2.282401898 1.11668451 0.547774994 0.358724995 0.808792765 0.568405312 2.737347611 0.469939542 2.537247516 0.410651183 7.557440784 0.636715855 0.923931215 3.930854884 2.383707336 0.130129817 0.537291841 0.549778547 2.42441548 0.982998705 2.298482306 0.945419275 3.303553685 1.493963907 0.360563145 2.085935708 2.520509545 2.888879529 7.238675033 0.442583298 0.816230348 2.368003991 0.445103915 3.007881916 0.494314572 0.828702822 1.785848361 2.972175732 0.503165333 1.220960376 0.729840955 0.027769099 0.439262907 3.019643603 1.275160274 8.858969047 0.063175962 0.546957736 0.641629276 Glyceric acid 1.577942149 4.014289378 5.065248195 0.63137186 0.385516723 3.709645099 1.601502756 0.955510477 0.998851427 0.989294227 15.63019293 6.632471044 0.468354088 8.787135283 3.864017349 10.57285644 0.737978489 0.965128184 0.78714679 1.021932041 1.438876544 6.06995871 0.584040826 1.965658363 1.512931598 2.48650131 0.786749985 0.581081841 5.374308192 3.913272255 0.967917466 1.78778651 2.328478197 5.702193142 0.618352542 0.770731503 1.8613825 4.036375073 0.828912638 0.754587561 2.985759163 1.532669999 4.158487166 3.139362869 5.499276623 1.465039352 5.234344373 0.654365203 1.375100874 0.621385699 3.585908139 0.969904817 2.166279881 0.600306656 4.492431213 0.919782213 0.500666504 0.53186095 5.973312108 2.875056509 5.567298451 0.538364592 0.914447334 0.886760288 Hydroxyphenyllactic acid 1.500639972 2.109140184 0.820964445 0.695133353 2.377257798 0.73571578 1.495172495 1.249744861 0.653095679 1.315026587 2.170181846 1.024258734 1.448217828 1.028218866 1.07666635 0.798026155 0.994993533 0.857593616 1.36872631 0.941261323 1.480247134 1.337330586 1.018373752 1.358941295 1.11325671 1.060381814 2.167557842 1.37854589 2.224296931 1.062786958 0.952246072 1.146363547 0.796000357 0.898318348 1.301365034 2.182512136 0.630244123 0.918532047 1.494079732 0.999875262 0.938753235 1.447045276 1.887114568 1.44926409 0.864095422 1.517845185 1.814944279 0.826059202 2.640304723 1.212388763 1.277027379 1.333294312 1.215283914 0.91176926 0.765971769 0.742223899 1.390651939 1.340526016 1.005361684 0.747567769 1.641263563 0.667079844 0.914659732 0.683936111 L-3-Phenyllactic acid 1.426669253 2.507673506 1.643859953 0.697414539 2.249736038 0.624364293 1.487879354 0.706001359 0.631009634 1.284041463 2.724404403 1.321365269 0.823742645 0.652403058 0.969081259 0.773977278 0.837371726 1.001321123 0.99464016 0.88166735 1.274993392 1.659630602 0.591459835 1.476840518 0.68849068 0.788397238 6.879896602 1.001200932 1.380939592 0.671416446 0.409923595 0.833646967 1.701309533 1.517520462 1.283065965 3.05341196 0.572571337 0.789577591 1.696962851 2.016723446 0.587165381 0.927248596 1.987729989 1.137706759 1.004449113 18.03963052 2.946388074 1.075108161 1.682273529 1.132827815 1.979128436 1.903792498 0.825531268 0.875632312 0.468851005 0.48490825 1.197104726 2.321303284 1.346998087 0.600891442 1.042896306 0.886058334 0.493262486 0.725380932 Lactic acid 0.950114606 1.095543976 0.855919599 1.83200688 1.118668198 1.076953953 1.232257752 0.871697273 1.277123433 0.90430873 1.422749158 1.657121312 1.038999903 1.393953889 0.701354503 1.558209105 0.725610307 0.970894043 1.220229228 1.036446139 2.525318674 1.266429907 0.889892765 0.949977933 1.286735941 1.546122987 0.872145077 0.569535454 1.152204104 1.080384809 1.694153807 1.773149765 0.838439653 1.636311979 1.074335783 1.090380428 1.349128761 0.953490979 0.701483596 1.080799287 0.661558219 1.413575197 0.932616886 1.301600647 1.679622738 0.922568704 0.634039973 0.795282716 0.729898274 0.909926516 1.194315437 0.908965312 1.0655764 1.561962841 1.045538255 0.782661084 1.07313945 0.70373206 1.366307975 0.823201856 0.880867877 0.961159419 0.960899099 0.797222101 N-Acetylaspartic acid 0.977653423 1.535040104 1.31003855 1.17536087 0.723111752 0.796294263 1.218666502 1.008616465 1.307785774 1.091108107 0.83666598 0.808440432 0.774168238 1.049852811 1.09790248 0.955888691 1.095653359 1.241104641 1.014854629 1.623705851 0.638297409 1.190142837 1.503430231 1.28478088 0.787813104 1.336208995 1.193525484 1.178643089 1.477609698 0.983577328 0.646439771 0.801085745 1.511745616 1.21125382 1.02880447 1.23870195 0.859102017 1.02233113 1.099582929 0.726818345 1.911889714 0.809820694 1.746735536 1.646525858 1.08904671 1.12872749 1.263140066 0.751740679 1.247601715 1.844552582 0.785850688 1.368692901 1.608153342 0.914756756 1.109055518 1.17293233 0.731670126 1.020217514 1.061861678 1.515184666 1.867232327 1.377435084 1.186853994 1.483657623 N-Acetylglutamic acid 2.166189448 2.147172265 1.774566048 0.938894104 0.596139984 0.774495686 0.959546359 1.090604738 1.358347148 1.25204893 1.694814399 0.991578251 2.051491578 1.286410016 0.875979093 1.354804248 2.449504953 2.78665578 0.98314048 1.365361044 1.622128957 1.181838229 1.189924583 1.54065684 0.971191948 0.576992262 1.85273655 0.857174732 1.32233612 0.752854423 0.841777349 0.291594239 3.474827306 0.715585107 2.896507769 2.097001634 0.597424473 1.735104355 1.040755976 3.491579623 0.747092119 1.072944156 2.337200397 2.417775117 3.121842633 3.152856306 1.934824131 2.133841442 0.972243963 1.569851443 0.993951745 1.609389224 0.918487539 0.726948397 0.617069289 0.576437984 0.326282257 0.896342987 0.876697178 0.46211438 2.320953486 1.037614073 1.57737884 2.468158331 Pseudouridine 0.997710842 1.026366548 0.817966261 0.946991826 0.704609454 0.962353425 0.591165338 0.940176768 0.584890102 0.834994153 1.932679938 1.121376533 1.166348141 1.085769716 1.451337856 1.231017744 1.175245409 1.077677891 0.909221336 0.770440301 1.207305853 1.112153523 0.710259236 1.063835738 0.881464487 1.277729143 0.939631854 0.951321491 1.605869816 1.069854714 1.148833143 0.828081648 1.084884721 0.738276208 0.877229705 1.147046978 0.912600804 1.231305705 0.982928416 0.765788368 0.817152044 0.815229337 1.182588143 0.966043072 0.947967782 1.16171249 0.972757978 0.814270441 1.031022655 0.847410527 0.753635571 1.362022059 1.075437078 0.757490343 0.974060805 0.70240538 0.821520939 0.747295883 1.164905317 0.832192115 0.96791149 0.65031853 0.792871362 0.661058413 Threonic acid 0.413161079 2.785891144 3.37804427 0.978248163 0.448830562 2.083566728 0.274890992 1.105103502 1.011794152 1.649343993 4.372815867 3.21544015 0.913038356 1.308306791 2.585550028 3.391670222 1.51998792 1.099546869 0.89530568 1.715419289 0.88929384 2.419920776 1.092723548 0.537041307 0.47400646 2.296170203 1.144002609 0.783664485 1.664961413 2.696353685 0.218372605 0.836776048 1.607866724 2.524616188 1.073992723 1.40645577 1.088539204 2.700527085 1.54573432 0.873807714 2.363638411 0.623359128 2.844325173 2.909166834 0.371520422 0.474869575 4.082639394 0.940802211 1.911097229 0.801888458 2.058547328 1.477431967 1.469443854 0.726820248 2.744282962 0.754758265 0.197953613 0.722818234 2.856968367 1.65521574 3.255065393 0.662346873 1.449550366 1.317273456 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z RT (sec) PubChem ID KEGG ID 2-Hydroxyglutaric acid 147.02852 93 43 C02630 3-Hydroxyisovaleric acid 117.05411 282 69362 4-Guanidinobutanoic acid 115.03852 231 500 C01035 Cholic acid 407.2803 717 221493 C00695 Citramalic acid 147.0284 132 441696 C00815 Gluconic acid 195.05023 57.6 10690 C00257 Glyceric acid 105.01772 79.8 439194 C00258 Hydroxyphenyllactic acid 181.04948 438 440177 L-3-Phenyllactic acid 165.05446 600 643327 C05607 Lactic acid 89.02274 57 107689 C00186 N-Acetylaspartic acid 174.03972 90 65065 C01042 N-Acetylglutamic acid 188.05537 120 70914 C00624 Pseudouridine 243.06186 88.2 15047 C02067 Threonic acid 135.02844 60 5460407 C01620 METABOLITES_END #END