#METABOLOMICS WORKBENCH xliu68_20251210_075237 DATATRACK_ID:6868 STUDY_ID:ST004438 ANALYSIS_ID:AN007433 PROJECT_ID:
VERSION                          	1
CREATED_ON                       	12-12-2025
#PROJECT
#STUDY
#SUBJECT
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
#COLLECTION
#TREATMENT
#SAMPLEPREP
#CHROMATOGRAPHY
#ANALYSIS
#END

#METABOLOMICS WORKBENCH xliu68_20251210_075237 DATATRACK_ID:6868 STUDY_ID:ST004438 ANALYSIS_ID:AN007433 PROJECT_ID:PR002803
VERSION                          	1
CREATED_ON                       	12-12-2025
#PROJECT
PR:PROJECT_TITLE                 	NAPRT-mediated deamidated NAD biosynthesis enhances tissue resiliency and
PR:PROJECT_TITLE                 	suppresses tumorigenesis
PR:PROJECT_SUMMARY               	Nicotinamide adenine dinucleotide (NAD) biosynthetic enzymes are currently
PR:PROJECT_SUMMARY               	believed to be oncogenic, as they are frequently overexpressed in cancer to
PR:PROJECT_SUMMARY               	maintain an increased metabolic demand. Here we report a tumor suppressing role
PR:PROJECT_SUMMARY               	of the deamidated arm of NAD biosynthesis in both mice and humans. In contrast
PR:PROJECT_SUMMARY               	to the ubiquitous expression of the key enzyme in the amidated NAD salvage
PR:PROJECT_SUMMARY               	pathway, nicotinic acid phosphoribosyl transferase (NAPRT), the first enzyme of
PR:PROJECT_SUMMARY               	the deamidated pathway, is specifically enriched in gut epithelial cells, where
PR:PROJECT_SUMMARY               	it maintains the NAD pool for an efficient response to stress-induced acute NAD
PR:PROJECT_SUMMARY               	depletion. Consequently, NAPRT deficiency impairs the activity of
PR:PROJECT_SUMMARY               	poly-(ADP-ribose) polymerases and DNA repair, sensitizes mice to
PR:PROJECT_SUMMARY               	chemical-induced colitis and tumorigenesis as well as to age-associated
PR:PROJECT_SUMMARY               	spontaneous tumor development. In several human cancer types, low NAPRT
PR:PROJECT_SUMMARY               	expression is associated with poor prognosis. Therefore, endogenous deamidated
PR:PROJECT_SUMMARY               	NAD biosynthesis suppresses tumorigenesis, and its boosting may be beneficial
PR:PROJECT_SUMMARY               	for tumor prevention.
PR:INSTITUTE                     	North Carolina State University
PR:LAST_NAME                     	Liu
PR:FIRST_NAME                    	Xiaojing
PR:ADDRESS                       	Department of Molecular and Structural Biochemistry, North Carolina State
PR:ADDRESS                       	University, Raleigh, North Carolina 27695, United States
PR:EMAIL                         	xliu68@ncsu.edu
PR:PHONE                         	919-515-4387
#STUDY
ST:STUDY_TITLE                   	Quantitative LC-MS analysis of NAD pathway metabolites in mouse plasma
ST:STUDY_SUMMARY                 	Mouse plasma (5 µL) was extracted using 13C-yeast internal standard and
ST:STUDY_SUMMARY                 	methanol, then centrifuged, and the supernatant was analyzed by UHPLC–MS.
ST:STUDY_SUMMARY                 	Metabolites were separated on a BEH Amide column using an acetonitrile–water
ST:STUDY_SUMMARY                 	gradient, and detected on an Exploris 480 mass spectrometer with standardized
ST:STUDY_SUMMARY                 	ionization settings. NA and NAM were quantified by full-scan MS using extracted
ST:STUDY_SUMMARY                 	ions for unlabeled and deuterium-labeled species, with 13C-NAM serving as the
ST:STUDY_SUMMARY                 	internal standard. Calibration standards spiked into 13C-yeast extract were used
ST:STUDY_SUMMARY                 	to determine internal-standard concentration and ion-response factors.
ST:STUDY_SUMMARY                 	Quantification was performed using SIEVE for MS1 data.
ST:INSTITUTE                     	North Carolina State University
ST:LAST_NAME                     	Liu
ST:FIRST_NAME                    	Xiaojing
ST:ADDRESS                       	Department of Molecular and Structural Biochemistry, North Carolina State
ST:ADDRESS                       	University, Raleigh, North Carolina 27695, United States
ST:EMAIL                         	xliu68@ncsu.edu
ST:PHONE                         	919-515-4387
ST:SUBMIT_DATE                   	2025-12-10
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	835	835	Genotype:KO | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=835.mzML
SUBJECT_SAMPLE_FACTORS           	868	868	Genotype:KO | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=868.mzML
SUBJECT_SAMPLE_FACTORS           	869	869	Genotype:KO | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=869.mzML
SUBJECT_SAMPLE_FACTORS           	832	832	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=832.mzML
SUBJECT_SAMPLE_FACTORS           	833	833	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=833.mzML
SUBJECT_SAMPLE_FACTORS           	861	861	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=861.mzML
SUBJECT_SAMPLE_FACTORS           	862	862	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=862.mzML
SUBJECT_SAMPLE_FACTORS           	834	834	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=834.mzML
SUBJECT_SAMPLE_FACTORS           	840	840	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=840.mzML
SUBJECT_SAMPLE_FACTORS           	852	852	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=852.mzML
SUBJECT_SAMPLE_FACTORS           	853	853	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=853.mzML
SUBJECT_SAMPLE_FACTORS           	836	836	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=836.mzML
SUBJECT_SAMPLE_FACTORS           	837	837	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=837.mzML
SUBJECT_SAMPLE_FACTORS           	842	842	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=842.mzML
SUBJECT_SAMPLE_FACTORS           	880	880	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=880.mzML
SUBJECT_SAMPLE_FACTORS           	881	881	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=881.mzML
SUBJECT_SAMPLE_FACTORS           	830	830	Genotype:KO | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=830.mzML
SUBJECT_SAMPLE_FACTORS           	831	831	Genotype:KO | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=831.mzML
SUBJECT_SAMPLE_FACTORS           	895	895	Genotype:KO | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=895.mzML
SUBJECT_SAMPLE_FACTORS           	Std_YEmix0_Cal0	Std_YEmix0_Cal0	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Sample type=standard mixture; RAW_FILE_NAME(Raw file name)=Std_YEmix0_Cal0.mzML
SUBJECT_SAMPLE_FACTORS           	Std_YEmix1_Cal3	Std_YEmix1_Cal3	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Sample type=standard mixture; RAW_FILE_NAME(Raw file name)=Std_YEmix1_Cal3.mzML
SUBJECT_SAMPLE_FACTORS           	Std_YEmix2_Cal4	Std_YEmix2_Cal4	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Sample type=standard mixture; RAW_FILE_NAME(Raw file name)=Std_YEmix2_Cal4.mzML
SUBJECT_SAMPLE_FACTORS           	Std_YEmixlow1_Cal1	Std_YEmixlow1_Cal1	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Sample type=standard mixture; RAW_FILE_NAME(Raw file name)=Std_YEmixlow1_Cal1.mzML
SUBJECT_SAMPLE_FACTORS           	Std_YEmixlow2_Cal2	Std_YEmixlow2_Cal2	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Sample type=standard mixture; RAW_FILE_NAME(Raw file name)=Std_YEmixlow2_Cal2.mzML
SUBJECT_SAMPLE_FACTORS           	887	887	Genotype:WT | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=887.mzML
SUBJECT_SAMPLE_FACTORS           	888	888	Genotype:WT | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=888.mzML
SUBJECT_SAMPLE_FACTORS           	891	891	Genotype:WT | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=891.mzML
SUBJECT_SAMPLE_FACTORS           	820	820	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=820.mzML
SUBJECT_SAMPLE_FACTORS           	821	821	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=821.mzML
SUBJECT_SAMPLE_FACTORS           	906	906	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=906.mzML
SUBJECT_SAMPLE_FACTORS           	907	907	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=907.mzML
SUBJECT_SAMPLE_FACTORS           	824	824	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=824.mzML
SUBJECT_SAMPLE_FACTORS           	825	825	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=825.mzML
SUBJECT_SAMPLE_FACTORS           	846	846	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=846.mzML
SUBJECT_SAMPLE_FACTORS           	847	847	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=847.mzML
SUBJECT_SAMPLE_FACTORS           	826	826	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=826.mzML
SUBJECT_SAMPLE_FACTORS           	827	827	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=827.mzML
SUBJECT_SAMPLE_FACTORS           	844	844	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=844.mzML
SUBJECT_SAMPLE_FACTORS           	845	845	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=845.mzML
SUBJECT_SAMPLE_FACTORS           	818	818	Genotype:WT | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=818.mzML
SUBJECT_SAMPLE_FACTORS           	819	819	Genotype:WT | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=819.mzML
SUBJECT_SAMPLE_FACTORS           	908	908	Genotype:WT | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Sample type=Sample; RAW_FILE_NAME(Raw file name)=908.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	For D4-NAM isotopic tracing experiment, male WT and NAPRT KO mice, aged between
CO:COLLECTION_SUMMARY            	eight to thirteen weeks, were orally administered either 80 mg/kg of
CO:COLLECTION_SUMMARY            	nicotinamide labeled with four deuterium atoms on the pyridine ring (D4-NAM) or
CO:COLLECTION_SUMMARY            	received a PBS gavage in the control group. To prevent any bias, gavages were
CO:COLLECTION_SUMMARY            	staggered to keep the time between gavage and sacrifice constant and were
CO:COLLECTION_SUMMARY            	administered alternately between the WT and NAPRT KO mice. The mice were
CO:COLLECTION_SUMMARY            	euthanized at 0, 3, 6, or 24 hours after gavage administration, and small
CO:COLLECTION_SUMMARY            	intestines and colons were flushed and flash-frozen in liquid nitrogen along
CO:COLLECTION_SUMMARY            	with blood, liver, pancreas, kidneys, spleen, heart, lungs, quadriceps muscles,
CO:COLLECTION_SUMMARY            	brain, white and brown adipose tissues. These samples were then preserved at -80
CO:COLLECTION_SUMMARY            	degrees until further processing. Each group receiving a specific treatment
CO:COLLECTION_SUMMARY            	consisted of 4-5 mice.
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	For D4-NAM isotopic tracing experiment, male WT and NAPRT KO mice, aged between
TR:TREATMENT_SUMMARY             	eight to thirteen weeks, were orally administered either 80 mg/kg of
TR:TREATMENT_SUMMARY             	nicotinamide labeled with four deuterium atoms on the pyridine ring (D4-NAM) or
TR:TREATMENT_SUMMARY             	received a PBS gavage in the control group. To prevent any bias, gavages were
TR:TREATMENT_SUMMARY             	staggered to keep the time between gavage and sacrifice constant and were
TR:TREATMENT_SUMMARY             	administered alternately between the WT and NAPRT KO mice.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	5 µL mouse plasma was mixed with 5 µL 13 C yeast extract, followed by the
SP:SAMPLEPREP_SUMMARY            	addition of 40 µL ice-cold methanol. The mixture was vortexed for 1 min, kept
SP:SAMPLEPREP_SUMMARY            	on ice for 10 min with occasional vortexing, and then centrifuged for 10 min at
SP:SAMPLEPREP_SUMMARY            	20,000 g at 4°C. The supernatant was transferred to an LC vial, and 2 µL was
SP:SAMPLEPREP_SUMMARY            	injected. To determine the concentration of 13 C-labeled NAM in the yeast
SP:SAMPLEPREP_SUMMARY            	extract and to correct for differential ion responses between NA and NAM,
SP:SAMPLEPREP_SUMMARY            	standards of NA and NAM (0.16, 0.8, 4, and 20 ng/µL) were spiked into 5 µL 13
SP:SAMPLEPREP_SUMMARY            	C yeast extract, followed by methanol extraction and LC–MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	polar (LC/MS Pos early)
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	ACQUITY UPLC BEH Amide column (100 x 1 mm, 1.7 μm)
CH:COLUMN_TEMPERATURE            	25°C
CH:FLOW_GRADIENT                 	The LC gradient was as follows: 0-1.5 min, 85% B; 5.5 min, 35% B; 10.5 min, 35%
CH:FLOW_GRADIENT                 	B; 10.6 min, 10% B; 12.5 min, 10% B; 13.5-20 min, 85% B.
CH:FLOW_RATE                     	0.04 mL/min, except at 13.5 min when it was increased to 70 µL/min to
CH:FLOW_RATE                     	accelerate column re-equilibration.
CH:SOLVENT_A                     	100% Water; 5 mM ammonium acetate (pH 6.8)
CH:SOLVENT_B                     	100% Acetonitrile
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	the following MS parameters were used: spray voltage, 3000V; sheath gas, 18;
MS:MS_COMMENTS                   	auxiliary gas, 5; vaporizer temperature, 80°C; ion transfer tube temperature,
MS:MS_COMMENTS                   	300°C; and S-lens, 30%. For Nicotinic acid (NA) and Nicotinamide (NAM)
MS:MS_COMMENTS                   	analysis, full-scan acquisition in positive mode was performed over an m/z range
MS:MS_COMMENTS                   	of 100–400 with a mass resolution of 120,000. Extracted ion chromatograms
MS:MS_COMMENTS                   	corresponding to m/z values of metabolites with 0, 3, or 4 deuterium
MS:MS_COMMENTS                   	incorporations (M+0, M+3, and M+4, respectively) were used for quantification.
MS:MS_COMMENTS                   	13 C-labeled NAM from 13 C yeast extract was used as an internal standard for
MS:MS_COMMENTS                   	both NA and NAM due to structural and retention time similarity. FrameSeed
MS:MS_COMMENTS                   	function in SIEVE (Thermo Fisher) was applied for MS1-based quantification.
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	arbitrary units
MS_METABOLITE_DATA_START
Samples	835	868	869	832	833	861	862	834	840	852	853	836	837	842	880	881	830	831	895	Std_YEmix0_Cal0	Std_YEmix1_Cal3	Std_YEmix2_Cal4	Std_YEmixlow1_Cal1	Std_YEmixlow2_Cal2	887	888	891	820	821	906	907	824	825	846	847	826	827	844	845	818	819	908
Factors	Genotype:KO | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:KO | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:KO | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Genotype:KO | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Genotype:KO | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Genotype:- | Treatment:standard and 13C yeast | Treatment duration (hr):- | Sample source:water and yeast extract	Genotype:WT | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 400 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):1 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):3 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:WT | Treatment:D4-NA 80 mg/kg | Treatment duration (hr):6 | Sample source:plasma	Genotype:WT | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Genotype:WT | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	Genotype:WT | Treatment:PBS | Treatment duration (hr):0 | Sample source:plasma	
NA-D3	19590106.4300	17183402.2500	11556329.5000	15185631.5900	2421207.9330	13521686.0800	12363801.6200			533811.4380															7139601.0990	10252130.7000	5230363.7790	1745858.1630	4272599.5740	6517688.7240	3579364.2090											
NA-D4	1404679877.0000	1340610050.0000	911998829.5000	1090211325.0000	196731346.2000	1077804137.0000	994142309.1000	4212964.8840	9836113.7580	40521361.2500	3695207.5650														416758411.1000	600656097.5000	327623399.2000	136331893.6000	282770422.7000	473552499.9000	270674060.9000											
NAM-13C	18747250.2300	17478101.9300	18503884.4300	22794624.5900	22901908.8700	24228835.5800	18463557.1100	21366509.9000	19735928.0000	21197687.0500	19097269.5500	17854671.5300	15867071.4200	17822548.4600	18031340.3700	17460174.1800	6935783.5950	26115932.7300	23172342.3200	40966297.8900	33178553.2100	32824451.9700	41585758.4300	38725637.5100	18312737.3900	19435063.0800	16159301.5900	23292322.8600	22456869.5300	21140060.5200	23880533.4400	20784127.1200	24287538.3000	20660331.2700	17151120.6200	17992915.1000	18021839.7100	18062515.4000	18839584.7600	21934910.6300	29533912.0900	23289027.3100
NAM-D3	56257.1670	105086.2830	64534.3740	45136.0110	37675.2450	44636.0100	40675.9980	55654.7370	54805.7010	61166.7240	49641.2040	80867.4390	69402.4440	70344.2700	56143.0560	72834.4800	52085.5200	38307.5340	37663.3470						13615538.9500	16389312.8700	11947812.9900	6089860.2090	6103368.9810	6468011.5650	6594067.9890	22628451.8200	27429018.5500	20757816.8600	21786207.8300	10309709.2900	13078065.4500	17001167.7600	18832915.3900	35923.3350	40234.3200	42168.4200
NAM-D4		240.7590							723.3840	1374.3540	136.5840	167.8590	485.1090						719.7540						52023.9840	56431.2600	48765.4350	39362.6820	33609.5100	33629.5920	33850.0590	49077.6420	70452.2190	36614.2620	35692.7970	2217.9930	1120.8300	1823.4480	1859.7600			
Nicotinamide (NAM)	14894992.5700	9177698.6880	8117244.5940	8079440.2140	3040829.9040	11394023.7600	6011810.4930	7890745.2840	8315845.9440	8382937.3530	7459091.9760	10776458.8000	10728544.1600	12221773.8800	9187358.6190	8516303.6370	6627280.6830	14962395.8600	8937344.2680	186363.2280	140720299.1000	701093195.0000	7404180.7830	35862046.7600	29770590.2100	35411578.1000	23102052.9900	17891003.9900	19187534.1700	18866832.6400	22754872.4100	39328480.5200	44269084.0800	36083104.8100	32508833.9600	24745591.6600	25955526.0700	37380589.7400	39654817.5800	16933171.2500	24275492.7500	20383866.1700
Nicotinic acid (NA)	5674337.0280	10580235.3400	8646774.8790	6888789.5700	1350849.2910	2191081.8360	1934567.4990		1904592.0990	1243886.1330	943508.6490	1915988.0880		1002651.3390	3060106.6410	1528970.1750		1568380.8180	3101355.5280	156141.4380	44956081.9100	242557775.0000	2657529.9510	12360279.2800	4490208.6570	6529546.0260	5037780.2970	2184706.3830	4116634.3500	5341736.2590	3979588.6950
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
NA-D3						3.3		127.0581	
NA-D4						3.3		128.0644	
NAM-13C						2.7		129.0754	
NAM-D3						2.7		126.0741	
NAM-D4						2.7		127.0804	
Nicotinamide (NAM)						2.7		123.0553	
Nicotinic acid (NA)						3.3		124.0393	
METABOLITES_END
#END