#METABOLOMICS WORKBENCH narjar_20250528_202521 DATATRACK_ID:5960 STUDY_ID:ST003942 ANALYSIS_ID:AN006481 PROJECT_ID:PR002469
VERSION             	1
CREATED_ON             	June 4, 2025, 2:06 am
#PROJECT
PR:PROJECT_TITLE                 	Higher Plasma Kynurenine to Tryptophan Correlates with Increased Incidence of
PR:PROJECT_TITLE                 	Mild Cognitive Impairment in Treated Metabolic Syndrome Patients
PR:PROJECT_TYPE                  	MS quantitative analysis
PR:PROJECT_SUMMARY               	An increase in cognitive impairment has been observed in metabolic syndrome
PR:PROJECT_SUMMARY               	(MetS) patients. Although alterations in metabolomic profiles have been
PR:PROJECT_SUMMARY               	identified as potential plasma/serum biomarkers of mild cognitive impairment
PR:PROJECT_SUMMARY               	(MCI) and MetS, findings remain inconsistent— likely due to the heterogeneity
PR:PROJECT_SUMMARY               	among MetS patients and the lack of subsequent validation using targeted
PR:PROJECT_SUMMARY               	analysis after initial untargeted analysis. In this study, we validated mass
PR:PROJECT_SUMMARY               	spectrometry-based quantitation methods and quantified amino acids, fatty acids,
PR:PROJECT_SUMMARY               	and tryptophan metabolites in the kynurenine pathway in plasma of ninety-five
PR:PROJECT_SUMMARY               	treated MetS patients with and without MCI assessed by Montreal cognitive
PR:PROJECT_SUMMARY               	assessment. We found that MCI was positively associated with kynurenine to
PR:PROJECT_SUMMARY               	tryptophan ratio (KTR) after the adjustment for age, gender, and BMI, as well as
PR:PROJECT_SUMMARY               	were negatively associated with C20:3 [all-Z-8,11,14] and lysine. One-unit
PR:PROJECT_SUMMARY               	increase in KTR resulted in increased probability of developing MCI by 371%. In
PR:PROJECT_SUMMARY               	contrast, one-unit increases in C20:3 and lysine were associated with decreased
PR:PROJECT_SUMMARY               	odds of developing MCI by 81% and 78%, respectively. Our finding underscores the
PR:PROJECT_SUMMARY               	prominent neuroinflammation, beyond normal aging, in MetS patients, even under
PR:PROJECT_SUMMARY               	ongoing clinical treatment. It also points to the potential of KTR as a risk
PR:PROJECT_SUMMARY               	marker for MCI, offering a valuable complement to the existing cognitive
PR:PROJECT_SUMMARY               	assessments that may be influenced by educational background. In addition, the
PR:PROJECT_SUMMARY               	validated metabolite data is an useful resource for future research. It can
PR:PROJECT_SUMMARY               	facilitate comparisons across different studies, contribute to large-scale
PR:PROJECT_SUMMARY               	analyses, and be used in machine learning models for discovering and validating
PR:PROJECT_SUMMARY               	new biomarkers.
PR:INSTITUTE                     	Mahidol University
PR:DEPARTMENT                    	Faculty of Medicine Siriraj Hospital
PR:LABORATORY                    	SiCORE-MSB
PR:LAST_NAME                     	Jariyasopit
PR:FIRST_NAME                    	Narumol
PR:ADDRESS                       	2 Prannok, Bangkok, Non-US, 10700, Thailand
PR:EMAIL                         	narumoljariyasopit@gmail.com
PR:PHONE                         	662-4195507
#STUDY
ST:STUDY_TITLE                   	Tryptophan metabolite concentrations in plasma of treated metabolic syndrome
ST:STUDY_TITLE                   	patients with and without mild cognitive impairment
ST:STUDY_SUMMARY                 	We validated mass spectrometry-based quantitation methods and quantified
ST:STUDY_SUMMARY                 	trytophan metabolites in kynurenine pathway in plasma of ninety-five treated
ST:STUDY_SUMMARY                 	MetS patients with and without MCI assessed by Montreal cognitive assessment.
ST:INSTITUTE                     	Mahidol University
ST:DEPARTMENT                    	Faculty of Medicine Siriraj Hospital
ST:LABORATORY                    	SiCORE-MSB
ST:LAST_NAME                     	Jariyasopit
ST:FIRST_NAME                    	Narumol
ST:ADDRESS                       	2 Prannok, Bangkok, Non-US, 10700, Thailand
ST:EMAIL                         	narumoljariyasopit@gmail.com
ST:PHONE                         	+6624195500
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
SU:HUMAN_ETHNICITY               	Thai
#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           	-	31aug23_005	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_005.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_006	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_006.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_007	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_007.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_008	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_008.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_009	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_009.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_010	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_010.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_012	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_012.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_014	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_014.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_015	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_015.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_016	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_016.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_017	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_017.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_018	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_018.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_019	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_019.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_020	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_020.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_021	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_021.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_022	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_022.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_023	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_023.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_025	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_025.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_026	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_026.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_028	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_028.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_029	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_029.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_030	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_030.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_031	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_031.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_032	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_032.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_033	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_033.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_034	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_034.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_035	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_035.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_036	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_036.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_038	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_038.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_039	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_039.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_040	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_040.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_041	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_041.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_042	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_042.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_043	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_043.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_044	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_044.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_047	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_047.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_048	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_048.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_049	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_049.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_050	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_050.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_051	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_051.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_053	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_053.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_054	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_054.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_055	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_055.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_056	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_056.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_057	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_057.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_058	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_058.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_059	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_059.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_060	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_060.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_061	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_061.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_062	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_062.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_063	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_063.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_065	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_065.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_066	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_066.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_068	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_068.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_069	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_069.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_070	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_070.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_071	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_071.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_072	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_072.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_073	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_073.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_074	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_074.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_076	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_076.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_078	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_078.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_079	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_079.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_080	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_080.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_081	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_081.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_082	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_082.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_083	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_083.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_084	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_084.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_085	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_085.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_086	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_086.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_087	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_087.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_090	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_090.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_091	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_091.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_092	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_092.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_093	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_093.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_094	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_094.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_095	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_095.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_096	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_096.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_097	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_097.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_099	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_099.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_100	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_100.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_101	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_101.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_102	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_102.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_103	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_103.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_104	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=31aug23_104.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_105	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_105.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_106	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_106.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_107	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_107.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_109	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_109.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_111	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_111.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_112	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_112.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_113	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_113.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_114	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_114.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_115	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_115.raw
SUBJECT_SAMPLE_FACTORS           	-	31aug23_116	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=31aug23_116.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood was collected in EDTA-coated tubes and centrifuged at 3,000 rpm to obtain
CO:COLLECTION_SUMMARY            	plasma. The plasma was then transferred into cryovials and stored at –85°C
CO:COLLECTION_SUMMARY            	until use.
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	All patients were divided into two groups: 1) MetS patients with MCI and 2) MetS
TR:TREATMENT_SUMMARY             	patients with normal cognitive function. MCI was determined when the MoCA score
TR:TREATMENT_SUMMARY             	was less than 23.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Sample preparation is provided in the protocol file.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Waters ACQUITY UPLC HSS C18 (100 x 2.1 mm, 1.8 µm)
CH:SOLVENT_A                     	100% Water; 0.1% Formic acid
CH:SOLVENT_B                     	100% Acetonitrile; 0.1% Formic acid
CH:FLOW_GRADIENT                 	n/a
CH:FLOW_RATE                     	0.3 mL/min
CH:COLUMN_TEMPERATURE            	30ºC
CH:METHODS_FILENAME              	Chrom_Kyn_met.txt
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo TQ Absolute
MS:INSTRUMENT_TYPE               	Triple TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	LCMS data were acquired using positive MRM mode. The optimal MS parameters were
MS:MS_COMMENTS                   	as follows: capillary voltage 1.5 kV, source temperature 150ºC, desolvation
MS:MS_COMMENTS                   	gas (N2) flow 900 L/h at 550ºC, cone gas flow 150 L/h, nebulizer gas (Ar) 7.0
MS:MS_COMMENTS                   	bar, collision gas flow 0.25 mL/min. LC-TQMS data were processed using MassLynx.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	µmol/dL plasma
MS_METABOLITE_DATA_START
Samples	31aug23_022	31aug23_036	31aug23_115	31aug23_040	31aug23_019	31aug23_113	31aug23_083	31aug23_047	31aug23_060	31aug23_097	31aug23_028	31aug23_086	31aug23_044	31aug23_034	31aug23_081	31aug23_087	31aug23_107	31aug23_055	31aug23_062	31aug23_093	31aug23_038	31aug23_031	31aug23_009	31aug23_074	31aug23_020	31aug23_029	31aug23_007	31aug23_048	31aug23_021	31aug23_103	31aug23_099	31aug23_111	31aug23_043	31aug23_015	31aug23_116	31aug23_090	31aug23_112	31aug23_008	31aug23_025	31aug23_102	31aug23_076	31aug23_091	31aug23_059	31aug23_026	31aug23_114	31aug23_032	31aug23_006	31aug23_050	31aug23_073	31aug23_085	31aug23_033	31aug23_041	31aug23_049	31aug23_082	31aug23_018	31aug23_030	31aug23_069	31aug23_016	31aug23_070	31aug23_105	31aug23_035	31aug23_058	31aug23_014	31aug23_071	31aug23_096	31aug23_101	31aug23_057	31aug23_005	31aug23_084	31aug23_100	31aug23_092	31aug23_051	31aug23_063	31aug23_078	31aug23_039	31aug23_053	31aug23_061	31aug23_104	31aug23_106	31aug23_042	31aug23_054	31aug23_072	31aug23_094	31aug23_109	31aug23_068	31aug23_065	31aug23_023	31aug23_017	31aug23_056	31aug23_012	31aug23_066	31aug23_079	31aug23_095	31aug23_010	31aug23_080
Factors	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS	Sample source:plasma | Factor:MetS-MCI	Sample source:plasma | Factor:MetS-MCI
Kynurenic acid	0.00		0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.01	0.04	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.01	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	
Kynurenine	0.06	0.09	0.11	0.23	0.11	0.19	0.09	0.09	0.07	0.21	0.09	0.07	0.18	0.09	0.17	0.10	0.09	0.09	0.14	0.08	0.16	0.11	0.08	0.08	0.14	0.15	0.15	0.10	0.07	0.11	0.11	0.09	0.09	0.09	0.15	0.19	0.13	0.10	0.05	0.22	0.09	0.11	0.12	0.09	0.09	0.16	0.10	0.12	0.13	0.13	0.08	0.08	0.11	0.11	0.18	0.09	0.08	0.07	0.09	0.07	0.10	0.06	0.16	0.09	0.09	0.08	0.10	0.11	0.17	0.07	0.08	0.06	0.07	0.11	0.18	0.08	0.23	0.09	0.11	0.10	0.17	0.10	0.10	0.10	0.15	0.10	0.10	0.09	0.13	0.10	0.07	0.06	0.09	0.15	0.08
Picolinic acid	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		0.00	0.00	0.00	0.00			0.00			0.00	0.00	0.00		0.00	0.00	0.00	0.00	0.00		0.00	0.00	0.00	0.00	0.00				0.00	0.00	0.00	0.00	0.00		0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Quinolinic acid	0.02	0.02	0.03	0.07	0.03	0.04	0.02	0.02	0.02	0.09	0.02	0.02	0.09	0.02	0.04	0.01	0.02	0.02	0.06	0.02	0.03	0.04	0.02	0.01	0.02	0.04	0.06	0.01	0.01	0.05	0.08	0.03	0.02	0.02	0.05	0.28	0.04	0.02	0.01	0.06	0.02	0.02	0.03	0.02	0.02	0.05	0.04	0.11	0.06	0.03	0.02	0.02	0.04	0.04	0.06	0.03	0.01	0.02	0.02	0.02	0.02	0.01	0.03	0.02	0.04	0.03	0.02	0.02	0.10	0.02	0.02	0.01	0.04	0.02	0.03	0.01	0.05	0.02	0.02	0.02	0.05	0.03	0.02	0.01	0.03	0.02	0.01	0.01	0.03	0.05	0.02	0.01	0.02	0.09	0.02
Serotonin		0.01	0.01	0.02	0.01	0.00	0.02	0.00	0.02	0.03	0.02	0.02	0.01		0.02	0.02	0.02	0.01		0.01	0.01	0.02	0.02	0.02	0.04	0.01	0.01	0.01	0.01	0.03	0.00		0.02	0.00	0.02	0.00	0.01	0.01	0.01	0.01	0.01		0.01	0.01	0.03	0.01	0.02	0.01	0.03	0.02	0.02	0.01	0.01		0.01	0.05	0.01	0.04	0.02	0.02	0.02	0.03	0.01	0.01		0.02		0.01	0.03	0.01	0.01	0.02	0.01	0.02	0.04	0.02	0.02	0.02	0.00	0.02	0.00	0.01	0.00	0.01	0.02	0.02	0.04	0.01	0.03		0.02	0.02	0.03	0.03	
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem ID
Kynurenic acid	3845
Kynurenine	846
Picolinic acid	1018
Quinolinic acid	1066
Serotonin	5202
METABOLITES_END
#END