#METABOLOMICS WORKBENCH narjar_20250528_221736 DATATRACK_ID:5961 STUDY_ID:ST003946 ANALYSIS_ID:AN006487 PROJECT_ID:PR002469
VERSION             	1
CREATED_ON             	June 4, 2025, 2:07 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                   	Plasma tryptophan concentrations in treated metabolic syndrome patients with and
ST:STUDY_TITLE                   	without mild cognitive impairment
ST:STUDY_SUMMARY                 	We validated mass spectrometry-based quantitation methods and quantified
ST:STUDY_SUMMARY                 	tryptophan in plasma of ninety-five treated MetS patients with and without MCI
ST:STUDY_SUMMARY                 	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           	-	1Sep23_016	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=1Sep23_016.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_089	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_089.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_018	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=1Sep23_018.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_093	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_093.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_013	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=1Sep23_013.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_047	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_047.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_068	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_068.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_098	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_098.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_112	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_112.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_053	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_053.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_079	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_079.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_073	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_073.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_097	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_097.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_087	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_087.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_065	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_065.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_061	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_061.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_043	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_043.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_107	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_107.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_114	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_114.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_058	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_058.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_091	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_091.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_084	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_084.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_006	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_006.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_125	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_125.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_014	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=1Sep23_014.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_082	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_082.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_004	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=30aug23_004.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_099	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_099.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_015	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=1Sep23_015.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_038	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_038.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_054	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_054.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_042	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_042.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_096	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_096.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_012	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=30aug23_012.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_049	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_049.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_074	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_074.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_046	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_046.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_005	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_005.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_076	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_076.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_050	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_050.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_062	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_062.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_063	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_063.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_111	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_111.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_077	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_077.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_048	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_048.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_085	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_085.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_003	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_003.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_101	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_101.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_124	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_124.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_070	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_070.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_086	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_086.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_094	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_094.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_100	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_100.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_067	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_067.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_012	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=1Sep23_012.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_083	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_083.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_120	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_120.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_013	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_013.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_121	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_121.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_040	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_040.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_088	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_088.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_110	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_110.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_011	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_011.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_122	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_122.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_056	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_056.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_051	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_051.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_109	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_109.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_002	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_002.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_069	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_069.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_052	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_052.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_060	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_060.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_103	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_103.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_115	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_115.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_064	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_064.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_092	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_092.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_105	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_105.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_113	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_113.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_039	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_039.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_041	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_041.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_095	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_095.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_106	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_106.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_123	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_123.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_071	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_071.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_045	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_045.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_119	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_119.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_117	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_117.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_017	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=1Sep23_017.raw
SUBJECT_SAMPLE_FACTORS           	-	1Sep23_011	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=1Sep23_011.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_108	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_108.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_009	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_009.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_118	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_118.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_075	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_075.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_057	Sample source:plasma | Factor:MetS	RAW_FILE_NAME(Raw file name)=29aug23_057.raw
SUBJECT_SAMPLE_FACTORS           	-	30aug23_007	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=30aug23_007.raw
SUBJECT_SAMPLE_FACTORS           	-	29aug23_072	Sample source:plasma | Factor:MetS-MCI	RAW_FILE_NAME(Raw file name)=29aug23_072.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.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Trp.txt
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Waters ACQUITY UPLC HSS C18 (100 x 2.1mm,1.8um)
CH:SOLVENT_A                     	100% Water (Milli-Q); 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                   	The MS was operated in positive MRM mode. The optimal MS parameters were as
MS:MS_COMMENTS                   	follows: capillary voltage 1.5 kV, source temperature 150ºC, desolvation gas
MS:MS_COMMENTS                   	(N2) flow 900 L/h at 550ºC, cone gas flow 150 L/h, nebulizer gas (Ar) 7.0 bar,
MS:MS_COMMENTS                   	collision gas flow 0.25 mL/min. LC-TQMS data was processed using MassLynx.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	µmol/dL plasma
MS_METABOLITE_DATA_START
Samples	1Sep23_016	29aug23_089	1Sep23_018	29aug23_093	1Sep23_013	29aug23_047	29aug23_068	29aug23_098	29aug23_112	29aug23_053	29aug23_079	29aug23_073	29aug23_097	29aug23_087	29aug23_065	29aug23_061	29aug23_043	29aug23_107	29aug23_114	29aug23_058	29aug23_091	29aug23_084	30aug23_006	29aug23_125	1Sep23_014	29aug23_082	30aug23_004	29aug23_099	1Sep23_015	29aug23_038	29aug23_054	29aug23_042	29aug23_096	30aug23_012	29aug23_049	29aug23_074	29aug23_046	30aug23_005	29aug23_076	29aug23_050	29aug23_062	29aug23_063	29aug23_111	29aug23_077	29aug23_048	29aug23_085	30aug23_003	29aug23_101	29aug23_124	29aug23_070	29aug23_086	29aug23_094	29aug23_100	29aug23_067	1Sep23_012	29aug23_083	29aug23_120	30aug23_013	29aug23_121	29aug23_040	29aug23_088	29aug23_110	30aug23_011	29aug23_122	29aug23_056	29aug23_051	29aug23_109	30aug23_002	29aug23_069	29aug23_052	29aug23_060	29aug23_103	29aug23_115	29aug23_064	29aug23_092	29aug23_105	29aug23_113	29aug23_039	29aug23_041	29aug23_095	29aug23_106	29aug23_123	29aug23_071	29aug23_045	29aug23_119	29aug23_117	1Sep23_017	1Sep23_011	29aug23_108	30aug23_009	29aug23_118	29aug23_075	29aug23_057	30aug23_007	29aug23_072
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
Tryptophan	2.10	2.79	3.07	2.77	2.76	4.37	3.36	2.66	3.38	2.62	3.44	2.86	2.75	2.77	3.70	3.34	4.25	3.65	2.79	3.46	3.63	2.46	2.33	2.37	3.75	2.48	2.17	3.58	3.80	2.16	2.34	2.36	3.41	2.90	2.30	1.52	3.39	2.95	2.53	4.11	3.42	3.61	2.60	2.03	2.97	3.01	2.00	1.72	2.46	3.03	2.98	3.10	2.68	3.36	3.40	3.35	3.47	3.01	2.67	3.02	1.55	1.75	2.76	3.36	3.23	3.64	2.51	3.02	3.04	2.13	2.59	2.60	2.53	2.97	3.63	2.71	3.52	3.35	4.50	3.96	3.37	2.79	3.04	3.98	3.61	2.56	2.51	3.53	3.65	2.29	2.69	2.82	3.27	2.55	3.21
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem ID
Tryptophan	6305
METABOLITES_END
#END