#METABOLOMICS WORKBENCH kwanjeeraw_20230925_045620 DATATRACK_ID:4331 STUDY_ID:ST002874 ANALYSIS_ID:AN004711 PROJECT_ID:PR001796
VERSION             	1
CREATED_ON             	September 25, 2023, 8:56 am
#PROJECT
PR:PROJECT_TITLE                 	Predicting lupus membranous nephritis using reduced picolinic acid to tryptophan
PR:PROJECT_TITLE                 	ratio as a urinary biomarker
PR:PROJECT_TYPE                  	MS quantitative analysis
PR:PROJECT_SUMMARY               	The current gold standard for classifying lupus nephritis (LN) progression is a
PR:PROJECT_SUMMARY               	renal biopsy, which is an invasive procedure. Undergoing a series of biopsies
PR:PROJECT_SUMMARY               	for monitoring disease progression and treatments is unlikely suitable for
PR:PROJECT_SUMMARY               	patients with LN. Thus, there is an urgent need for non-invasive alternative
PR:PROJECT_SUMMARY               	biomarkers that can facilitate LN class diagnosis. Such biomarkers will be very
PR:PROJECT_SUMMARY               	useful in guiding intervention strategies to mitigate or treat patients with LN.
PR:PROJECT_SUMMARY               	Urine samples were collected from two independent cohorts. Patients with LN were
PR:PROJECT_SUMMARY               	classified into proliferative (class III/IV) and membranous (class V) by kidney
PR:PROJECT_SUMMARY               	histopathology. Metabolomics was performed to identify potential metabolites,
PR:PROJECT_SUMMARY               	which could be specific for the classification of membranous LN. The ratio of
PR:PROJECT_SUMMARY               	picolinic acid (Pic) to tryptophan (Trp) ([Pic/Trp] ratio) was found to be a
PR:PROJECT_SUMMARY               	promising candidate for LN diagnostic and membranous classification. It has high
PR:PROJECT_SUMMARY               	potential as an alternative biomarker for the non-invasive diagnosis of LN.
PR:INSTITUTE                     	Mahidol University
PR:DEPARTMENT                    	Siriraj Metabolomics and Phenomics Center
PR:LABORATORY                    	Siriraj Center of Research Excellence in Metabolomics and Systems Biology
PR:LAST_NAME                     	Khoomrung
PR:FIRST_NAME                    	Sakda
PR:ADDRESS                       	2 Wanglang Road, Bangkok, Bangkok, 10700, Thailand
PR:EMAIL                         	sakda.kho@mahidol.edu
PR:PHONE                         	024195511
PR:PUBLICATIONS                  	https://doi.org/10.1016/j.isci.2021.103355
#STUDY
ST:STUDY_TITLE                   	Quantification of metabolites in kynurenine pathway
ST:STUDY_SUMMARY                 	Urine samples were collected from two independent cohorts. Patients with LN were
ST:STUDY_SUMMARY                 	classified into proliferative (class III/IV) and membranous (class V) by kidney
ST:STUDY_SUMMARY                 	histopathology. Quantification of metabolites in kynurenine pathway was
ST:STUDY_SUMMARY                 	performed using LC-MS/MS.
ST:INSTITUTE                     	Mahidol University
ST:DEPARTMENT                    	Siriraj Metabolomics and Phenomics Center
ST:LABORATORY                    	Siriraj Center of Research Excellence in Metabolomics and Systems Biology
ST:LAST_NAME                     	Khoomrung
ST:FIRST_NAME                    	Sakda
ST:ADDRESS                       	2 Wanglang Road Bangkoknoi, Bangkok 10700, Thailand
ST:EMAIL                         	sakda.kho@mahidol.edu
ST:PHONE                         	024195511
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	117
ST:PUBLICATIONS                  	https://doi.org/10.1016/j.isci.2021.103355
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#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           	-	normal108197	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal108197.raw
SUBJECT_SAMPLE_FACTORS           	-	normal16799	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal16799.raw
SUBJECT_SAMPLE_FACTORS           	-	normal171808	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal171808.raw
SUBJECT_SAMPLE_FACTORS           	-	normal190667	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal190667.raw
SUBJECT_SAMPLE_FACTORS           	-	normal219541	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal219541.raw
SUBJECT_SAMPLE_FACTORS           	-	normal228443	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal228443.raw
SUBJECT_SAMPLE_FACTORS           	-	normal275182	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal275182.raw
SUBJECT_SAMPLE_FACTORS           	-	normal282901	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal282901.raw
SUBJECT_SAMPLE_FACTORS           	-	normal297429	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal297429.raw
SUBJECT_SAMPLE_FACTORS           	-	normal300195	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal300195.raw
SUBJECT_SAMPLE_FACTORS           	-	normal302449	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal302449.raw
SUBJECT_SAMPLE_FACTORS           	-	normal303739	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal303739.raw
SUBJECT_SAMPLE_FACTORS           	-	normal304786	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal304786.raw
SUBJECT_SAMPLE_FACTORS           	-	normal309354	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal309354.raw
SUBJECT_SAMPLE_FACTORS           	-	normal309427	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal309427.raw
SUBJECT_SAMPLE_FACTORS           	-	normal328154	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal328154.raw
SUBJECT_SAMPLE_FACTORS           	-	normal346675	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal346675.raw
SUBJECT_SAMPLE_FACTORS           	-	normal350796	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal350796.raw
SUBJECT_SAMPLE_FACTORS           	-	normal358762	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal358762.raw
SUBJECT_SAMPLE_FACTORS           	-	normal358797	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal358797.raw
SUBJECT_SAMPLE_FACTORS           	-	normal362875	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal362875.raw
SUBJECT_SAMPLE_FACTORS           	-	normal367346	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal367346.raw
SUBJECT_SAMPLE_FACTORS           	-	normal374393	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal374393.raw
SUBJECT_SAMPLE_FACTORS           	-	normal376701	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal376701.raw
SUBJECT_SAMPLE_FACTORS           	-	normal378194	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal378194.raw
SUBJECT_SAMPLE_FACTORS           	-	normal386006	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal386006.raw
SUBJECT_SAMPLE_FACTORS           	-	normal388793	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal388793.raw
SUBJECT_SAMPLE_FACTORS           	-	normal391263	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal391263.raw
SUBJECT_SAMPLE_FACTORS           	-	normal392456	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal392456.raw
SUBJECT_SAMPLE_FACTORS           	-	normal398659	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal398659.raw
SUBJECT_SAMPLE_FACTORS           	-	normal408913	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal408913.raw
SUBJECT_SAMPLE_FACTORS           	-	normal409863	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal409863.raw
SUBJECT_SAMPLE_FACTORS           	-	normal414999	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal414999.raw
SUBJECT_SAMPLE_FACTORS           	-	normal418242	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal418242.raw
SUBJECT_SAMPLE_FACTORS           	-	normal420689	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal420689.raw
SUBJECT_SAMPLE_FACTORS           	-	normal422436	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal422436.raw
SUBJECT_SAMPLE_FACTORS           	-	normal425168	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal425168.raw
SUBJECT_SAMPLE_FACTORS           	-	normal425621	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal425621.raw
SUBJECT_SAMPLE_FACTORS           	-	normal434728	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal434728.raw
SUBJECT_SAMPLE_FACTORS           	-	normal463329	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal463329.raw
SUBJECT_SAMPLE_FACTORS           	-	normal438685	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal438685.raw
SUBJECT_SAMPLE_FACTORS           	-	normal441384	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal441384.raw
SUBJECT_SAMPLE_FACTORS           	-	normal446904	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal446904.raw
SUBJECT_SAMPLE_FACTORS           	-	normal449032	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal449032.raw
SUBJECT_SAMPLE_FACTORS           	-	normal454125	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal454125.raw
SUBJECT_SAMPLE_FACTORS           	-	normal456977	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal456977.raw
SUBJECT_SAMPLE_FACTORS           	-	normal462020	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal462020.raw
SUBJECT_SAMPLE_FACTORS           	-	normal469548	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal469548.raw
SUBJECT_SAMPLE_FACTORS           	-	normal470457	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal470457.raw
SUBJECT_SAMPLE_FACTORS           	-	normal502839	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal502839.raw
SUBJECT_SAMPLE_FACTORS           	-	normal521337	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal521337.raw
SUBJECT_SAMPLE_FACTORS           	-	normal61921	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal61921.raw
SUBJECT_SAMPLE_FACTORS           	-	normal64947	Sample_group:N | Disease_subclass:N	RAW_FILE_NAME=normal64947.raw
SUBJECT_SAMPLE_FACTORS           	-	LN249	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN249.raw
SUBJECT_SAMPLE_FACTORS           	-	LN250	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN250.raw
SUBJECT_SAMPLE_FACTORS           	-	LN272	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN272.raw
SUBJECT_SAMPLE_FACTORS           	-	LN275	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN275.raw
SUBJECT_SAMPLE_FACTORS           	-	LN59	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN59.raw
SUBJECT_SAMPLE_FACTORS           	-	LN7	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN7.raw
SUBJECT_SAMPLE_FACTORS           	-	LN803	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN803.raw
SUBJECT_SAMPLE_FACTORS           	-	LN809	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN809.raw
SUBJECT_SAMPLE_FACTORS           	-	LN818	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN818.raw
SUBJECT_SAMPLE_FACTORS           	-	LN828	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN828.raw
SUBJECT_SAMPLE_FACTORS           	-	LN845	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN845.raw
SUBJECT_SAMPLE_FACTORS           	-	LN855	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN855.raw
SUBJECT_SAMPLE_FACTORS           	-	LN886	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN886.raw
SUBJECT_SAMPLE_FACTORS           	-	LN893	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN893.raw
SUBJECT_SAMPLE_FACTORS           	-	LN106	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN106.raw
SUBJECT_SAMPLE_FACTORS           	-	LN222	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN222.raw
SUBJECT_SAMPLE_FACTORS           	-	LN236	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN236.raw
SUBJECT_SAMPLE_FACTORS           	-	LN268	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN268.raw
SUBJECT_SAMPLE_FACTORS           	-	LN277	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN277.raw
SUBJECT_SAMPLE_FACTORS           	-	LN294	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN294.raw
SUBJECT_SAMPLE_FACTORS           	-	LN45	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN45.raw
SUBJECT_SAMPLE_FACTORS           	-	LN470	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN470.raw
SUBJECT_SAMPLE_FACTORS           	-	LN709	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN709.raw
SUBJECT_SAMPLE_FACTORS           	-	LN912	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN912.raw
SUBJECT_SAMPLE_FACTORS           	-	LN953	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN953.raw
SUBJECT_SAMPLE_FACTORS           	-	LN961	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN961.raw
SUBJECT_SAMPLE_FACTORS           	-	LN123	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN123.raw
SUBJECT_SAMPLE_FACTORS           	-	LN165	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN165.raw
SUBJECT_SAMPLE_FACTORS           	-	LN18	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN18.raw
SUBJECT_SAMPLE_FACTORS           	-	LN243	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN243.raw
SUBJECT_SAMPLE_FACTORS           	-	LN276	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN276.raw
SUBJECT_SAMPLE_FACTORS           	-	LN291	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN291.raw
SUBJECT_SAMPLE_FACTORS           	-	LN369	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN369.raw
SUBJECT_SAMPLE_FACTORS           	-	LN404	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN404.raw
SUBJECT_SAMPLE_FACTORS           	-	LN405	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN405.raw
SUBJECT_SAMPLE_FACTORS           	-	LN48	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN48.raw
SUBJECT_SAMPLE_FACTORS           	-	LN5	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN5.raw
SUBJECT_SAMPLE_FACTORS           	-	LN699	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN699.raw
SUBJECT_SAMPLE_FACTORS           	-	LN74	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN74.raw
SUBJECT_SAMPLE_FACTORS           	-	LN805	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN805.raw
SUBJECT_SAMPLE_FACTORS           	-	LN834	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN834.raw
SUBJECT_SAMPLE_FACTORS           	-	LN871	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN871.raw
SUBJECT_SAMPLE_FACTORS           	-	LN937	Sample_group:LN | Disease_subclass:Pure class III/IV	RAW_FILE_NAME=LN937.raw
SUBJECT_SAMPLE_FACTORS           	-	LN503	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN503.raw
SUBJECT_SAMPLE_FACTORS           	-	LN55	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN55.raw
SUBJECT_SAMPLE_FACTORS           	-	LN799	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN799.raw
SUBJECT_SAMPLE_FACTORS           	-	LN882	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN882.raw
SUBJECT_SAMPLE_FACTORS           	-	LN949	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN949.raw
SUBJECT_SAMPLE_FACTORS           	-	LN57	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN57.raw
SUBJECT_SAMPLE_FACTORS           	-	LN170	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN170.raw
SUBJECT_SAMPLE_FACTORS           	-	LN197	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN197.raw
SUBJECT_SAMPLE_FACTORS           	-	LN239	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN239.raw
SUBJECT_SAMPLE_FACTORS           	-	LN257	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN257.raw
SUBJECT_SAMPLE_FACTORS           	-	LN269	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN269.raw
SUBJECT_SAMPLE_FACTORS           	-	LN288	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN288.raw
SUBJECT_SAMPLE_FACTORS           	-	LN343	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN343.raw
SUBJECT_SAMPLE_FACTORS           	-	LN362	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN362.raw
SUBJECT_SAMPLE_FACTORS           	-	LN473	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN473.raw
SUBJECT_SAMPLE_FACTORS           	-	LN476	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN476.raw
SUBJECT_SAMPLE_FACTORS           	-	LN564	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN564.raw
SUBJECT_SAMPLE_FACTORS           	-	LN616	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN616.raw
SUBJECT_SAMPLE_FACTORS           	-	LN75	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN75.raw
SUBJECT_SAMPLE_FACTORS           	-	LN870	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN870.raw
SUBJECT_SAMPLE_FACTORS           	-	LN925	Sample_group:LN | Disease_subclass:All class V	RAW_FILE_NAME=LN925.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Both morning urine and blood samples were collected under sterile conditions
CO:COLLECTION_SUMMARY            	within the same day of biopsy/recruitment. Urine samples were centrifuged at
CO:COLLECTION_SUMMARY            	3,500 rpm for 10 min at 4°C. The supernatant was then aliquoted and stored at
CO:COLLECTION_SUMMARY            	−80°C until the analysis. Common blood biochemical parameters were measured
CO:COLLECTION_SUMMARY            	by an ISO 15189 accredited laboratory. Serum creatinine (SCr) and urine
CO:COLLECTION_SUMMARY            	creatinine (UCr) were measured by an enzymatic assay using a Dimension ExL
CO:COLLECTION_SUMMARY            	analyzer (Siemens Healthcare Diagnostics, Newark, DE, USA). Urine protein
CO:COLLECTION_SUMMARY            	(Uprot) was measured by a modified pyrogallol red-molybdate method. Uprot was
CO:COLLECTION_SUMMARY            	reported as urine protein creatinine ratio (UPCR in mg/mgCr). The estimated
CO:COLLECTION_SUMMARY            	glomerular filtration rate (eGFR in mL/min/1.73 m2) was calculated using the
CO:COLLECTION_SUMMARY            	CKD-EPI equation (Levey et al., 2009):
CO:SAMPLE_TYPE                   	Urine
#TREATMENT
TR:TREATMENT_SUMMARY             	LN patients and health subjects (N) were recruited from Ramathibodi Hospital,
TR:TREATMENT_SUMMARY             	Bangkok, Thailand. Patients, who fulfilled at least four of the American College
TR:TREATMENT_SUMMARY             	of Rheumatology 1982 revised criteria for SLE (Hochberg, 1997) and were referred
TR:TREATMENT_SUMMARY             	to kidney biopsy for clinical indications of proteinuria ≥ 0.5g/24 hours
TR:TREATMENT_SUMMARY             	(Fanouriakis et al., 2020) were included.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The urine samples were prepared based on a previously published protocol (Zhu et
SP:SAMPLEPREP_SUMMARY            	al., 2019) with minor modifications. Briefly, a 50 μL of each urine sample was
SP:SAMPLEPREP_SUMMARY            	mixed with 200 μL of MeOH/ACN (1:1, v/v) containing 100 ng of anthranilic acid
SP:SAMPLEPREP_SUMMARY            	C13 (Ant-C13) as an internal standard (IS). The mixture was vortexed for 30 s
SP:SAMPLEPREP_SUMMARY            	and sonicated for 10 min (room temperature). The mixture was then left overnight
SP:SAMPLEPREP_SUMMARY            	(−20°C) for protein precipitation before centrifugation at 13,000 rpm (4°C)
SP:SAMPLEPREP_SUMMARY            	for 15 min. The supernatant was transferred to a new test tube and evaporated to
SP:SAMPLEPREP_SUMMARY            	dryness (room temperature) using a vacuum concentrator (Labconco, MO, USA). The
SP:SAMPLEPREP_SUMMARY            	dried sample was reconstituted in 100 μL of Milli-Q H2O (containing 0.1% formic
SP:SAMPLEPREP_SUMMARY            	acid), vortexed for 30 s, and sonicated (room temperature) for 10 min. The
SP:SAMPLEPREP_SUMMARY            	reconstituted sample was centrifuged at 13,000 rpm (4°C) for 15 min. The
SP:SAMPLEPREP_SUMMARY            	supernatant was kept at −80°C before analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	A volume of 5 μL of a standard or sample was injected onto an HSS T3 column,
CH:CHROMATOGRAPHY_SUMMARY        	2.1 × 100 mm, 1.8 μM column (Waters, Milford, MA, USA) at 30°C with a
CH:CHROMATOGRAPHY_SUMMARY        	constant flow rate of 0.3 mL/min. Mobile phases consisted of (A) 0.1% formic
CH:CHROMATOGRAPHY_SUMMARY        	acid in Milli-Q water and (B) 0.1% formic acid in ACN. The gradient program
CH:CHROMATOGRAPHY_SUMMARY        	started at 99% A, decreased to 70% over 7.0 min, then decreased to 30% at 9 min,
CH:CHROMATOGRAPHY_SUMMARY        	and return to the initial condition at 10 min and held for 4.0 min. The total
CH:CHROMATOGRAPHY_SUMMARY        	runtime was 14 min. The weak and strong needles wash solutions were 5% ACN and
CH:CHROMATOGRAPHY_SUMMARY        	H2O/ACN/MeOH/IPA (1:1:1:1), respectively.
CH:CHROMATOGRAPHY_TYPE           	Normal phase
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Waters ACQUITY UPLC HSS T3 (100 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                 	The gradient program started at 99% A, decreased to 70% over 7.0 min, then
CH:FLOW_GRADIENT                 	decreased to 30% at 9 min and return to the initial condition at 10 min and held
CH:FLOW_GRADIENT                 	for 4.0 min. The total runtime was 14 min. The weak and strong needles wash
CH:FLOW_GRADIENT                 	solutions were 5% ACN and H2O/ACN/MeOH/IPA (1:1:1:1), respectively.
CH:FLOW_RATE                     	0.4ml/min
CH:COLUMN_TEMPERATURE            	30
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo-TQ-S
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Quantitative analysis (absolute quantification) was achieved by external
MS:MS_COMMENTS                   	calibration curves of each standard prepared in pooled urine samples (standard
MS:MS_COMMENTS                   	addition) (Limjiasahapong et al., 2021). The linear ranges of the calibration
MS:MS_COMMENTS                   	standards are as follows: 3.5–1,000 ng/mL for Ant; 4.5–80 ng/mL for Cin;
MS:MS_COMMENTS                   	8–2,500 ng/ml for Kyna; 8–5,000 ng/ml for Kyn; 1.4–400 ng/ml for Pic;
MS:MS_COMMENTS                   	40–5000 ng/ml for Qui; 7–2000 ng/ml for Trp; 2–200 ng/ml for Xan;
MS:MS_COMMENTS                   	900–14,000 ng/ml for 3OH-Kyn; 300–2,500 ng/ml for 3OH-Ant and 8–2,000
MS:MS_COMMENTS                   	ng/ml for Ant-C13.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ng/ml
MS_METABOLITE_DATA_START
Samples	normal108197	normal16799	normal171808	normal190667	normal219541	normal228443	normal275182	normal282901	normal297429	normal300195	normal302449	normal303739	normal304786	normal309354	normal309427	normal328154	normal346675	normal350796	normal358762	normal358797	normal362875	normal367346	normal374393	normal376701	normal378194	normal386006	normal388793	normal391263	normal392456	normal398659	normal408913	normal409863	normal414999	normal418242	normal420689	normal422436	normal425168	normal425621	normal434728	normal463329	normal438685	normal441384	normal446904	normal449032	normal454125	normal456977	normal462020	normal469548	normal470457	normal502839	normal521337	normal61921	normal64947	LN249	LN250	LN272	LN275	LN59	LN7	LN803	LN809	LN818	LN828	LN845	LN855	LN886	LN893	LN106	LN222	LN236	LN268	LN277	LN294	LN45	LN470	LN709	LN912	LN953	LN961	LN123	LN165	LN18	LN243	LN276	LN291	LN369	LN404	LN405	LN48	LN5	LN699	LN74	LN805	LN834	LN871	LN937	LN503	LN55	LN799	LN882	LN949	LN57	LN170	LN197	LN239	LN257	LN269	LN288	LN343	LN362	LN473	LN476	LN564	LN616	LN75	LN870	LN925
Factors	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:N | Disease_subclass:N	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:Pure class III/IV	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V	Sample_group:LN | Disease_subclass:All class V
Kynurenic acid	0.026497106	0.01262828	0.019572008	0.022874246	0.038618638	0.020293218	0.020937942	0.038808917	0.023701356	0.058274253	0.021387826	0.03676778	0.019476447	0.021604017	0.028310515	0.020601807	0.013791183	0.013956886	0.01826844	0.011439388	0.02880789	0.017109921	0.015750119	0.015622924	0.019346615	0.045327917	0.0494475	0.014131778	0.030848486	0.018163629	0.069838098	0.022856626	0.01917607	0.010986865	0.031825142	0.015907098	0.019786326	0.015832011	0.010126669	0.03116174	0.044162037	0.014948755	0.014529075	0.035822091	0.037384737	0.021900476	0.027491244	0.02934398	0.014941566	0.045881985	0.024474403	0.019927112	0.031776739	0.038458422	0.033239768	0.011852719	0.045862927	0.027728293	0.028519206	0.018760009	0.026251551	0.028802614	0.050591835	0.009447298	0.014006371	0.028548712	0.040062906	0.016034071	0.027862995	0.026179143	0.072773118	0.188043805	0.010928638	0.012323887	0.025914238	0.014352063	0.032195465	0.01435343	0.026097032	0.012907972	0.026959441	0.020387065	0.011804125	0.024233729	0.016626549	0.052859495	0.032640739	0.022926111	0.023884543	0.01088867	0.033433481	0.004155231	0.004952545	0.024695241	0.040134371	0.021905046	0.027296751	0.047331865	0.0385851	0.020762536	0.028325095	0.00704464	0.050806741	0.02252376	0.025969284	0.053752064	0.046244067	0.012934381	0.028108148	0.034873108	0.009558373	0.033548632	0.007069653	0.032360187	0.016970046	0.032445415	0.032976801
Kynurenine	0.001755018	0.001265913	0.002349523	0.002836728	0.00131876	0.00080012	0.000897889	0.001508014	0.003700408	0.001299552	0.001419435	0.000936292	0.000886033	0.001047248	0.002848342	0.000784301	0.001245746	0.001270804	0.001707944	0.000915192	0.000622225	0.003879623	0.000765903	0.002284339	0.002407169	0.002449381	0.004043723	0.001911189	0.002465818	0.000520533	0.003077357	0.003317269	0.001365266	0.001163267	0.00227894	0.004022967	0.003620182	0.001192539	0.001191705	0.000550244	0.003062649	0.001444268	0.001838105	0.003962575	0.001348255	0.003316956	0.001558664	0.000577689	0.000675668	0.002469695	0.000919093	0.00252855	0.003210175	0.001341803	0.002467098	0.001176874	0.009214633	0.005425638	0.001907671	0.000946784	0.002758456	0.001154138	0.005562899	0.001733338	0.001776174	0.003117692	0.001856262	0.000770259	0.002565898	0.00091868	0.003552626	0.013800839	0.000587803	0.003206575	0.003101854	0.000508941	0.001330807	0.001084683	0.000937122	0.006007573	0.000847606	0.005342936	0.000321942	0.001630358	0.000153002	0.003186756	0.009349976	0.003911169	0.000747096	0.001141279	0.001935459	0.000437613	0.000813636	0.000397896	0.00751136	0.005604472	0.002780287	0.00084973	0.005582823	0.00210101	0.001792537	0.001550571	0.007030249	0.007690676	0.002091299	0.00350589	0.004140001	0.000619567	0.002971026	0.001164687	0.001087656	0.004413858	0.000563203	0.000791424	0.001853729	0.002865706	0.00191925
Picolinic acid	9.70E-05	2.92E-05	8.29E-05	9.94E-05	0.00011211	4.01E-05	4.60E-05	0.00015766	0.000124239	0.000252023	0.000154186	7.14E-05	9.37E-05	3.94E-05	0.0001284	7.32E-05	2.59E-05	4.27E-05	7.29E-05	1.33E-05	5.40E-05	5.77E-05	6.09E-05	7.30E-05	0.000165716	0.000174813	6.77E-05	3.75E-05	7.01E-05	6.20E-05	0.000153758	0.000167869	7.67E-05	6.75E-05	8.55E-05	8.39E-05	3.06E-05	4.34E-05	6.85E-05	0.000116398	0.000108684	4.86E-05	7.07E-05	0.000184753	9.57E-05	0.000127587	6.42E-05	0.000102734	4.94E-05	0.000143343	7.76E-05	4.64E-05	0.000211664	4.29E-05	6.51E-05	6.44E-05	1.04E-04	3.83E-05	2.40E-05	3.18E-05	2.67E-05	0.000112479	0.000182	2.52E-06	4.54E-05	5.68E-05	5.54E-05	4.32E-06	3.07E-05	1.23E-05	1.87E-04	2.72E-04	7.22E-06	3.61E-05	2.23E-05	4.58E-05	5.46E-05	6.67E-05	7.00E-05	3.73E-05	2.89E-05	5.00E-05	2.04E-05	4.51E-05	1.72E-05	3.88E-05	2.43E-04	8.25E-05	1.81E-05	6.10E-05	5.59E-06	1.12E-05	0.000105662	3.75E-05	0.000135635	5.17E-05	2.34E-05	5.63E-05	6.66E-05	5.88E-05	3.99E-05	1.95E-05	1.31E-05	0.000123699	4.65E-05	1.48E-04	1.06E-04	3.92E-05	7.68E-05	1.55E-05	1.68E-05	2.34E-05	7.43E-06	2.43E-05	3.71E-05	2.64E-05	4.41E-06
Quinolinic acid	0.005380265	0.002368312	0.005505774	0.003248586	0.004632068	0.003379013	0.002157654	0.003477183	0.00382252	0.008260207	0.0028916	0.003590391	0.0024451	0.0028056	0.005084753	0.003112061	0.001528284	0.003457618	0.002423781	0.003599621	0.005346638	0.004763296	0.002790649	0.004671002	0.003390913	0.004826965	0.00187741	0.002651718	0.004833058	0.002524892	0.010419007	0.005815572	0.001847833	0.001843906	0.003589046	0.003668055	0.004138449	0.002789498	0.00286379	0.003389609	0.003293051	0.002760371	0.002943742	0.008824369	0.00345257	0.00305614	0.003717827	0.004822608	0.001819577	0.001935258	0.004716143	0.002920472	0.005273005	0.00395028	0.003244534	0.003503745	0.014649847	0.005855728	0.00655715	0.004331696	0.002349252	0.004388535	0.004352822	0.001216912	0.001335715	0.006420072	0.006936485	0.00271419	0.00408085	0.004930175	0.015985724	0.031682157	0.001935889	0.007454647	0.00835787	0.003930035	0.002254253	0.006576003	0.004486465	0.005730457	0.005907282	0.005853286	0.00258906	0.00667602	0.002435729	0.007512171	0.004069818	0.005801651	0.00292888	0.002138253	0.003478559	0.000757471	0.001849661	0.003913408	0.00987421	0.006763747	0.003449814	0.007000731	0.003412978	0.003039592	0.012266785	0.006014999	0.013741579	0.004270446	0.006151288	0.00706204	0.006280374	0.002495035	0.00916433	0.002428011	0.002411055	0.005187637	0.001081822	0.003512182	0.003918028	0.003520773	0.004628329
Trpptophan	0.040114852	0.016239867	0.049334493	0.036596095	0.01917378	0.014667087	0.020429836	0.040822271	0.030580339	0.045046316	0.028001803	0.022234533	0.024572929	0.024809758	0.032854907	0.018398121	0.024608283	0.004228622	0.017721891	0.020098913	0.021846804	0.03889448	0.01632638	0.022705434	0.027996744	0.037487298	0.029255116	0.031509815	0.031049668	0.016155414	0.05121899	0.0297841	0.026565848	0.024749403	0.031275895	0.034608257	0.03992896	0.021098602	0.014708965	0.024054121	0.027507644	0.027273154	0.018170186	0.040763728	0.026755999	0.038777645	0.020736179	0.028901012	0.019509171	0.030967179	0.025007915	0.026975751	0.045703381	0.049560081	0.045566847	0.013589023	0.06253521	0.034164408	0.004578829	0.024280287	0.047865126	0.031623055	0.084206879	0.006821065	0.029531396	0.04078475	0.012926295	0.021324984	0.032153305	0.014954794	0.093113351	0.256861902	0.013160245	0.019054016	0.019975491	0.016466876	0.021730509	0.025362575	0.020710657	0.041589275	0.050073751	0.024321211	0.007209075	0.044464531	0.005240666	0.028970361	0.103600945	0.040723932	0.023851938	0.014660214	0.038574253	0.006947487	0.010319642	0.021946464	0.030094203	0.026829828	0.059206601	0.02954394	0.040232777	0.043326337	0.030564873	0.021330769	0.036860268	0.062188951	0.03663684	0.088539074	0.136756334	0.022298951	0.043549155	0.021696281	0.032830982	0.032190876	0.009606323	0.040334499	0.018754804	0.035447089	0.086572577
Xanthurenic acid	0.000235516	0.000213063	0.000372717	0.00033595	0.000841474	0.00026871	0.000371429	0.000413112	0.000342782	0.000898575	0.000220035	0.000657016	0.000303782	0.000467576	0.000394739	0.000364951	0.000235461	5.57E-05	0.000183431	0.000103048	0.000526602	0.000191712	0.000310483	0.000245793	0.000342901	0.000644377	0.000377634	0.000161462	0.0005014	0.000227517	0.001054039	0.000391396	0.000301616	0.000239715	0.000511445	0.000303049	0.000379022	0.000249849	0.00022924	0.000419959	0.000370358	0.000211905	0.000223369	0.000325126	0.000419907	0.000518374	0.000340175	0.000261643	0.000294336	0.000511793	0.000205791	0.000361921	0.000468146	0.000697975	0.000643551	0.000199835	0.000841752	0.000835319	0.000230088	0.000340229	0.000509604	0.000548038	0.001060419	8.24E-05	0.000217481	0.000431242	0.000427925	0.000345063	0.000304596	0.000290697	0.000928855	0.002029437	0.000404068	4.85E-05	0.000272652	0.000223404	0.000269675	0.000167281	0.00054299	0.000267904	0.00055787	0.000107459	0.000122996	3.06E-04	1.83E-04	0.000679461	0.000194826	0.000381795	3.91E-04	0.000308204	0.000989618	5.39E-05	7.77E-05	0.0002166	0.000452511	0.000128922	0.000208612	0.000520581	0.000621233	0.000423187	0.000324235	4.89E-05	0.000276519	0.000314734	0.000540171	0.001066438	0.000986377	0.000222247	0.000283048	0.000600025	6.02E-05	0.00029766	0.000101018	0.000433124	0.000332816	0.000259388	0.000338948
3-OH-Kynurenine	0.009137198	0.003706147	0.012504999	0.003370539	0.007443926	0.013475699	0.004150377	0.008759478	0.010782685	0.00924409	0.007704416	0.004529477	0.00427396	0.007055653	0.010347494	0.003480883	0.005856021	0.005115103	0.007336478	0.013301841	0.007109349	0.010992236	0.004275226	0.002500079	0.018094542	0.010757387	0.012839603	0.006146427	0.005521729	0.001701803	0.018512208	0.008830879	0.00560969	0.00494889	0.012555171	0.010095659	0.009224905	0.004753529	0.004426722	0.003239882	0.006867247	0.008492818	0.005228665	0.01468294	0.005184303	0.028765731	0.006618273	0.005366426	0.003684818	0.002442115	0.003563689	0.009724908	0.017197138	0.010349489	0.00487915	0.007348878	0.006594709	0.019310077	0.007700081	0.005028219	0.008514371	0.009273305	0.021205471	0.013894904	0.007604635	0.009669221	0.015677045	0.013037312	0.006782225	0.009324111	0.02251198	0.109622218	0.007386876	0.003035244	0.046039931	0.003668586	0.003673882	0.003013054	0.007253408	0.045628091	0.020198715	0.012517514	0.001179033	0.00967085	0.002431467	0.015859434	0.029179145	0.014950702	0.005583123	0.001601361	0.003474094	0.00131148	0.009539189	0.004443065	0.024365003	0.018061135	0.010762659	0.006755226	0.020948214	0.016817624	0.018645876	0.008226355	0.071919052	0.011341069	0.01186123	0.015366487	0.024439297	0.005293462	0.007022874	0.010036861	0.006467096	0.008784429	0.002577631	0.004731859	0.016484024	0.012705991	0.013015433
3-OH-Anthranilic acid	0.007861173	0.001189029	0.005108519	0.005039958	0.006345901	0.001973819	0.000320003	0.005118701	0.00726273	0.001658028	0.004677388	0.003315191	0.002409965	0.000189388	0.004497868	0.004106953	0.000542381	0.001918796	0.002517699	0.000507871	0.001605276	0.003050518	0.002606239	0.000165861	0.004489812	0.003383639	0.001912421	0.000959449	0.000955669	0.00318884	0.003589719	0.00324996	0.001171009	0.000756966	0.001819014	0.005874505	0.001512639	0.002758546	0.001759726	0.005932264	0.001332934	0.002594129	0.000764329	0.006122575	0.000973942	0.001432357	0.003987318	0.000925183	0.000528389	0.002963496	0.00234056	0.002804401	0.007146815	0.004033612	0.019533022	0.001280452	0.007739619	0.004917301	0.001389939	0.000313993	0.000456992	0.003910056	0.005158979	0.000670727	0.001826726	0.000169931	0.002126068	0.001219491	0.000139217	0.000988387	0.014762776	0.007132129	0.000439805	0.001262799	0.002739651	0.002348737	0.000632835	0.00531926	0.000939267	0.003229366	0.000630284	0.004173192	0.001097563	0.002193482	0.001566236	0.001897937	0.002758351	0.002786895	0.001188801	0.006086919	0.00214552	0.00041961	0.001501271	0.000850572	0.00663611	0.003072721	0.001049024	0.000624137	0.001037582	0.001587641	0.00327809	0.001043856	0.001610718	0.001996158	0.000681834	0.003223081	0.004448817	0.001941263	0.000498175	0.000914871	0.000634905	0.001177	0.00159774	0.001502351	0.001743628	0.000971283	0.001715914
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Kynurenic acid
Kynurenine
Picolinic acid
Quinolinic acid
Trpptophan
Xanthurenic acid
3-OH-Kynurenine
3-OH-Anthranilic acid
METABOLITES_END
#END