#METABOLOMICS WORKBENCH efahy_20230425_000047 DATATRACK_ID:3942 STUDY_ID:ST002625 ANALYSIS_ID:AN004297 PROJECT_ID:PR001020
VERSION             	1
CREATED_ON             	April 25, 2023, 7:56 am
#PROJECT
PR:PROJECT_TITLE                 	Molecular Transducer of Physical Activity Consortium
PR:PROJECT_SUMMARY               	MoTrPAC is a national research consortium designed to discover and perform
PR:PROJECT_SUMMARY               	preliminary characterization of the range of molecular transducers (the
PR:PROJECT_SUMMARY               	"molecular map") that underlie the effects of physical activity in humans. The
PR:PROJECT_SUMMARY               	program's goal is to study the molecular changes that occur during and after
PR:PROJECT_SUMMARY               	exercise and ultimately to advance the understanding of how physical activity
PR:PROJECT_SUMMARY               	improves and preserves health. Preclinical and clinical studies will examine the
PR:PROJECT_SUMMARY               	systemic effects of endurance and resistance exercise across a range of ages and
PR:PROJECT_SUMMARY               	fitness levels by molecular probing of multiple tissues before and after acute
PR:PROJECT_SUMMARY               	and chronic exercise. This program is the largest targeted NIH investment of
PR:PROJECT_SUMMARY               	funds into the mechanisms of how physical activity improves health and prevents
PR:PROJECT_SUMMARY               	disease. The MoTrPAC program is supported by the NIH Common Fund and is managed
PR:PROJECT_SUMMARY               	by a trans-agency working group representing multiple NIH institutes and
PR:PROJECT_SUMMARY               	centers, led by the NIH Office of Strategic Coordination, National Institute of
PR:PROJECT_SUMMARY               	Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes
PR:PROJECT_SUMMARY               	and Digestive and Kidney Diseases, National Institute on Aging, and National
PR:PROJECT_SUMMARY               	Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee:
PR:PROJECT_SUMMARY               	Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion
PR:PROJECT_SUMMARY               	Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac
PR:PROJECT_SUMMARY               	Bioinformatics / Data Coordination Center.
PR:INSTITUTE                     	MoTrPAC
PR:LAST_NAME                     	Ashley
PR:FIRST_NAME                    	Euan A.
PR:ADDRESS                       	300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA
PR:EMAIL                         	euan@stanford.edu
PR:PHONE                         	(650) 498-4900
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat White
ST:STUDY_TITLE                   	Adipose Powder - Targeted Nucleotides
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	Duke University
ST:DEPARTMENT                    	Duke Molecular Physiology Institute
ST:LABORATORY                    	Metabolomics Core Laboratory
ST:LAST_NAME                     	Newgard
ST:FIRST_NAME                    	Christopher
ST:ADDRESS                       	300 N Duke St, Durham, NC 27701
ST:EMAIL                         	chris.newgard@duke.edu
ST:PHONE                         	(919) 668-6059
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	80012817002_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a014.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a015.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a017.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a018.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a019.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a020.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a021.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a022.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a023.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a024.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a025.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a026.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a027.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a028.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a029.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a030.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a031.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a032.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a033.zip
SUBJECT_SAMPLE_FACTORS           	-	80012817002_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a034.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a035.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a037.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a038.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a039.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a040.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a041.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a042.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a043.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a044.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a045.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a046.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a047.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a048.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a049.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a050.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a051.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a052.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218017012	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a053.zip
SUBJECT_SAMPLE_FACTORS           	-	80012817002_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a054.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a055.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a057.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a058.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a059.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292017012	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a060.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a061.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560017012	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a062.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a063.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430017012	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a064.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a065.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a066.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439017012	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a067.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a068.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a069.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587017012	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a070.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217017012	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Adipose_090820_a071.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420017012	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Adipose_090820_a072.zip
SUBJECT_SAMPLE_FACTORS           	-	80012817002_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a073.zip
SUBJECT_SAMPLE_FACTORS           	-	80013827002_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Adipose_090820_a074.zip
#COLLECTION
CO:SAMPLE_TYPE                   	White adipose
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Nucleotides are extracted from 200”l of tissue homogenates prepared at 50 mg /ml
SP:SAMPLEPREP_SUMMARY            	in methanol using hexane. The extracts are dried under nitrogen and
SP:SAMPLEPREP_SUMMARY            	reconstituted in water.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Injection volume is 2 ”L. Mobile phase A is 95% water, 5% methanol and 5 mM
CH:CHROMATOGRAPHY_SUMMARY        	dimethylhexylamine adjusted to pH 7.5 with acetic acid. Mobile phase B is 20%
CH:CHROMATOGRAPHY_SUMMARY        	water, 80% methanol and 10 mM dimethylhexylamine. Flow rate is set to 0.3 mL/min
CH:CHROMATOGRAPHY_SUMMARY        	and column temperature is 40 °C. A 22 min gradient method (t=0, %B=0; t=1.2,
CH:CHROMATOGRAPHY_SUMMARY        	%B=0; t=22, %B=40) is run followed by a 3 min wash and 7 min equilibration.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity UPLC
CH:COLUMN_NAME                   	Chromolith FastGradient RP-18e 50-2mm column (EMD Millipore, Billerica, MA, USA)
CH:SOLVENT_A                     	95% water/5% methanol; 5 mM dimethylhexylamine adjusted to pH 7.5 with
CH:SOLVENT_A                     	acetic acid
CH:SOLVENT_B                     	20% water/80% methanol; 10 mM dimethylhexylamine
CH:FLOW_GRADIENT                 	22-minute gradient (t=0, %B=0; t=1.2, %B=0; t=22, %B=40) followed by a 3-minute
CH:FLOW_GRADIENT                 	wash and 7-minute equilibration
CH:FLOW_RATE                     	0.3 ml/min
CH:COLUMN_TEMPERATURE            	40C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_DETAILS:             	9 isotopically labeled internal standards are used for the nucleotide
AN:ANALYSIS_DETAILS:             	quantitation (13C10, 15N5-AMP; 13C10, 15N5-GMP; 13C10, 15N2-UMP; 13C9, 15N3-CMP;
AN:ANALYSIS_DETAILS:             	13C10-GTP; 13C10-UTP; 13C9-CTP; 13C10-ATP, and nicotinamide-1,N6-ethenoadenine
AN:ANALYSIS_DETAILS:             	dinucleotide (eNAD). Ion ratios of nucleotides to respective internal standards
AN:ANALYSIS_DETAILS:             	are computed from extracted ion chromatograms using a software package
AN:ANALYSIS_DETAILS:             	TargetLynx (Waters, Milford, MA). The ratios are converted to concentrations
AN:ANALYSIS_DETAILS:             	using calibrators prepared by spiking tissue homogenates with authentic
AN:ANALYSIS_DETAILS:             	nucleotides (Sigma, MO, USA). The values are expressed in pmol/mg.
#MS
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:INSTRUMENT_NAME               	Waters Xevo TQ-XS
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	All nucleotides were detected in negative ion MRM mode based on a characteristic
MS:MS_COMMENTS                   	fragmentation reaction.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/mg of tissue
MS_METABOLITE_DATA_START
Samples	90217017012	90218017012	90222017012	90223017012	90225017012	90227017012	90229017012	90232017012	90237017012	90239017012	90245017012	90248017012	90251017012	90252017012	90254017012	90258017012	90259017012	90265017012	90266017012	90267017012	90280017012	90281017012	90283017012	90289017012	90292017012	90406017012	90410017012	90412017012	90416017012	90420017012	90421017012	90422017012	90423017012	90426017012	90430017012	90439017012	90441017012	90444017012	90449017012	90450017012	90559017012	90560017012	90564017012	90567017012	90571017012	90576017012	90578017012	90581017012	90585017012	90587017012	80012817002_1	80012817002_2	80012817002_3	80012817002_4	80013827002_1	80013827002_2	80013827002_3	80013827002_4
adenine	34.6913736	28.36366277	26.73233267	40.62118971	42.68290352	28.99242051	27.44709071	24.43516915	29.42509756	30.17693128	28.74856188	29.20684792	27.44976627	29.92160595	23.04387544	31.73372779	28.72295291	28.98401159	29.08262526	27.45244184	28.93776254	32.85173166	30.7567644	28.51158328	26.87795984	61.09537624	26.24461543	29.78706326	31.25403724	24.68552558	26.29583338	25.05590019	29.30125713	28.65873935	29.51950678	26.84585307	26.87031537	26.52096305	31.75589675	31.43024229	28.00093263	26.44948725	29.77903657	28.18936883	33.66777894	27.39854831	31.59994955	30.33249626	28.7909887	26.94905342	25.85895187	25.71217802	25.22560745	24.94925982	28.38506729	35.91831118	36.8731056	39.69544428
ADP	99.94615155	43.12759179	41.55622016	73.4020341	79.86279204	151.49733	60.34008991	61.73223067	18.28550764	27.84624684	10.63269287	8.217167624	13.02261371	21.66687344	43.65208623	35.91242764	9.30469511	15.72612257	14.94690385	18.89288646	9.841067889	28.54073345	30.54474041	54.3304447	24.48441431	11.26171666	12.31308121	8.354164412	10.9932663	22.86684915	8.629477802	48.71093678	18.42171254	48.06792295	11.73790588	13.45102563	76.92937142	60.26090101	23.03103413	91.60888077	12.76076243	19.63699811	37.41886438	15.20743531	15.69655871	9.86772815	25.59833809	15.60232393	20.97449854	6.903687827	2.680016155	2.346630908	2.350854316	2.601883112	5.714006668	7.795618742	7.831253745	8.233161141
ADP-ribose	0.9056145	0.446875921	1.220674919	0.595490716	0.686486885	2.088712054	2.401414677	1.423003242	0.270483348	0.914456233	0.2433687	0.153993516	0.192455055	0.39028883	0.785661656	0.993589744	0.402814618	0.392499263	0.360300619	0.402667256	0.191202476	0.623636899	0.367521368	0.612068966	0.691644562	1.723695844	0.346595933	0.193191866	0.136162688	0.524462128	0.1103743	0.32648099	0.121352785	1.227527262	0.100574713	0.142793988	1.039640436	0.790598291	0.235632184	0.856027115	0.75596817	0.198349543	0.430739758	0.506926024	0.299808429	0.304229296	0.361332154	0.53853522	0.715959328	0.266430887	0.965590922	1.184497495	1.085249042	0.998821102	0.674918951	0.696654878	0.758694371	0.660845859
AICAR	0.034668413	0.009958515	0	0.069656351	0.006177475	0.017360834	0.023005767	0.002130164	0	0.00910645	0.039514536	0.011343121	0.014538367	0.001650877	0.027692127	0.015763211	0.008786925	0.001491115	0	0.0149644	0.014165588	0.00910645	0.072851597	0.023378546	0.021567907	0.026414029	0.02108862	0.021408145	0.009159704	0.009745499	0	0.010970343	0.006923032	0.02316553	0.002928975	0.006710015	0.045478994	0.072745089	0.03253825	0.013739556	0.001491115	0.013846064	0.001597623	0.009532482	0.033816348	0.077697719	0.087549726	0.017254326	0.342530315	0.098679831	0.034561905	0.034242381	0.050857657	0.018851948	0.024869661	0.02811816	0.048461223	0.04308256
AMP	132.9154688	32.63283606	60.80933139	50.4297998	100.6327133	210.4202896	37.89053187	61.7706069	9.964369609	29.60604972	5.771509712	1.895422831	10.89005855	7.449994741	14.39809621	12.1627165	3.621897132	5.298672954	6.139339808	7.374351378	3.857767688	14.42754716	33.73198759	31.52960872	23.49936014	26.129479	7.512840965	3.410656686	2.11240446	24.09092104	4.516951827	20.69827677	13.20520125	40.78154582	5.178590211	11.72204789	68.48126008	30.74056868	9.330385317	67.10697006	8.781203983	3.6563004	5.602824136	5.816518828	7.330876166	5.01310392	11.85313092	10.09900252	11.49656406	7.27517355	16.00922095	16.78844401	15.69604165	15.55023315	17.06568614	16.4183788	16.57172533	17.15360073
ATP	177.3430901	153.5865552	88.46132262	182.2497563	113.2737691	231.5572851	206.2542458	163.8575479	200.4350651	176.6151756	118.1257938	128.6575893	76.4796054	120.1584606	344.2379715	272.8397377	118.9931181	145.5050654	175.6208465	173.5274832	90.54892637	197.302035	145.1990726	242.8676492	119.644682	34.37752902	88.22473934	97.5114452	113.7422099	45.11504268	66.67424757	325.7363322	88.10113123	220.7138849	84.69223499	90.13424107	259.9429955	460.418968	204.7087751	437.535074	108.4404997	203.6645302	415.1528487	155.221963	76.45139853	103.1814691	100.3847063	190.9989072	128.521133	40.82198659	15.35576099	14.20267596	12.70475825	13.43961367	15.22255368	14.49375314	13.76908763	14.46495555
CDP	1.026626394	0.503406345	0.721587492	0.585886652	0.569068042	1.78461581	1.580258177	1.339037837	0.277852655	0.634960131	0.192607645	0.022348016	0.189842942	0.108284202	0.738406103	0.768357052	0.181548833	0.236842893	0.393970183	0.317480065	0.11035773	0.52921024	0.514925941	1.071552818	0.490043613	0.256656599	0.21725958	0.157818465	0.161504736	0.574367056	0.14399495	0.416087807	0.301813415	1.191817401	0.08155874	0.207122336	1.384194654	1.193430144	0.355494732	1.593390517	0.068196008	0.078102861	0.39604371	0.205048809	0.146990045	0.137543976	0.329690837	0.301122239	0.364940801	0.101602837	0.019122529	0.010367636	0.015205867	0.022117624	0.058519548	0.041240154	0.060823467	0.043313681
CMP	1.227055826	0.492842252	2.378410934	0.356358582	1.541996757	4.035209636	1.276441974	2.323835997	0.373592773	1.670419273	0.141116516	0.312439194	0.159925874	0.079962937	0.952328006	0.898772296	0.175121612	0.313180449	0.429835534	0.175028955	0.190132036	0.590873292	1.091406069	0.901459347	0.723650683	0.596154737	0.277322215	0.341996757	0.197915219	0.688255733	0	0.454482279	0.049571462	2.04447533	0.037248089	0.220338198	1.975909196	1.070836229	0.673430623	1.830715775	0.034375724	0.052814454	0.274820477	0.231364373	0.280843178	0.19939773	0.415936993	0.315960158	0.417604818	0.056520732	0.982256196	0.664164929	0.64387306	0.706138522	1.083159602	1.540328932	1.523280056	1.089858698
CTP	3.099962476	4.144275269	1.761140739	4.984023743	2.444083099	4.235584413	5.723252561	5.117064462	5.874486884	5.812173794	2.977951628	3.153178764	1.549298978	1.673925156	12.27476888	7.494968332	3.316807478	3.153633604	4.544648238	4.952184938	2.093060278	5.327200573	3.759935413	7.8260919	3.06027768	0.320889667	2.280454385	2.437829048	2.957483825	0.770840203	1.559078039	4.508943293	2.296601208	7.117905916	2.127628123	2.169700829	7.221836872	15.42465006	5.78454226	12.29046087	2.436919368	2.286026176	7.468473898	3.729347418	2.035068169	2.624086056	2.604073093	6.384362599	3.154543284	0.857828366	0.07129618	0.050373537	0.057082428	0.037296885	0.077663941	0.051055798	0.040139636	0.021604903
dATP	0.030433622	0.030596369	0.047359273	0.034014048	0.014809944	0.058914285	0.052729912	0.025388476	0.076816415	0.028806156	0.017739384	0.080722335	0.042476874	0.017576637	0.072910496	0.057937805	0.048173006	0.034502288	0.038570954	0.052892659	0.034665035	0.043941593	0.095857772	0.059890764	0.051265192	0.063796684	0.029619889	0.048661246	0.021970797	0.019692344	0.008788319	0.030108129	0.0436161	0.082349801	0.011717758	0.034990528	0.114573636	0.206525489	0.126942381	0.13524246	0.038570954	0.020506077	0.048173006	0.076165429	0.057937805	0.081536068	0.051102446	0.055171112	0.171209468	0.096183266	0.039547434	0.029294396	0.040523914	0.017902131	0.082024308	0.025551223	0.014972691	0.009276559
dCTP	0.110514602	0.076451301	0.025059037	0.080528703	0.054280423	0.094799613	0.128862914	0.072713681	0.079339461	0.107116767	0.050797642	0.055724503	0.031854709	0.019282717	0.208627105	0.116036085	0.040179406	0.054365369	0.050967534	0.071269601	0.033298789	0.060991149	0.12130273	0.132940317	0.082482459	0.077810435	0.051222371	0.049948183	0.074667437	0.036356841	0.033043951	0.074072816	0.022340769	0.145767146	0.022170877	0.061076095	0.15850903	0.228929172	0.185012147	0.252629075	0.051562155	0.046975077	0.105842578	0.059886852	0.053176127	0.100321095	0.107626442	0.083926539	0.240481813	0.107711388	0.057933097	0.011382749	0.020726797	0.012656938	0.043832079	0.008579535	0.017838637	0.010618236
dTTP	0.031509738	0.027043791	0.031344333	0.045238391	0.035892983	0.053839474	0.038622173	0.030186495	0.062357855	0.045734607	0.05069677	0.066989207	0.027870818	0.009924327	0.116280031	0.042012984	0.028036224	0.020758384	0.059215151	0.052929744	0.055162718	0.042095687	0.082454617	0.095438945	0.045569202	0.07344002	0.062936774	0.051441095	0.069387586	0.054170285	0.030517306	0.057726502	0.013232436	0.077492453	0.01091676	0.045486499	0.079311913	0.145556796	0.191043295	0.14142166	0.041351363	0.034321631	0.08377786	0.066575694	0.046892445	0.114791382	0.098747054	0.044494066	0.321548195	0.138527064	0.048629202	0.035231361	0.032915685	0.014390274	0.05615515	0.021750817	0.010834057	0.025058926
GDP	11.69576744	4.532406984	7.001470967	5.447980121	7.301980404	19.38992263	9.023759858	9.10437218	3.031854333	4.836905484	2.166144487	1.747375944	2.306592758	1.272095671	6.591262289	6.576801935	1.948823642	3.102161574	3.168147329	3.271115026	1.191732666	4.203558577	3.639189223	7.065212875	4.038511082	2.625136085	2.142210107	1.688952788	1.737985024	3.526331973	1.194807569	3.20163884	2.553083629	6.973131996	1.306750659	2.191907188	10.04570802	7.853717724	4.256995404	12.14719644	2.120685786	1.139459316	3.927482153	3.143465	1.793416383	2.024034106	2.6405106	3.406992496	2.702341082	0.945075584	0.672738907	0.897539247	0.688612055	0.852329862	2.710236103	3.317155465	3.186596747	3.456606471
GDP-mannose	1.520662285	0.572478889	0.544103594	0.956861751	0.448154143	2.464360239	1.12223804	1.113364666	0.802601556	1.078651247	0.450006826	0.73268717	0.251477271	0.200187218	2.045361468	1.609298516	0.53279248	0.876611346	1.3025333	1.110341869	0.254305049	1.021998167	0.70060651	1.611833766	0.647658794	0.44639897	0.460635373	0.40446984	0.544883671	0.303839928	0.090001365	0.450591883	0.391988611	1.09513037	0.171031847	0.293991458	1.036234569	2.592975408	1.363769331	2.882773953	0.668818379	0.322951811	2.068276225	0.884802153	0.365368489	0.541763364	0.354739942	0.610800164	0.684224896	0.314370966	0.161280886	0.166253876	0.138658658	0.247089338	0.26152076	0.26883398	0.413928272	0.378142247
GMP	13.19290074	2.418647607	3.599100546	5.533649213	7.290073884	20.25208802	3.438162544	4.457115323	0.912222936	3.549550273	0.587696756	0.317218118	0.729681979	0.382267909	1.823241246	1.701574044	0.459524574	0.835126887	1.391824606	0.811275297	0.258030838	2.039431417	2.448442017	3.998634757	2.64214584	3.229039512	0.584725345	0.328461291	0.233536781	0.910295535	0.264616126	1.533247671	0.812479923	4.436315451	0.145759717	0.56858336	5.386604562	3.575168648	1.723096691	8.482894314	1.072759396	0.338098297	0.887728879	1.331352393	0.469482814	0.659893993	1.062801156	1.759877931	1.391423065	0.471811757	3.661580469	3.56063283	3.917844523	3.639977514	5.926598137	5.815933183	6.36580469	6.986427883
GTP	20.90567964	15.98275976	9.228537132	17.90735262	11.33876502	27.08503861	21.19906615	16.9907088	20.0265598	19.15263849	11.86703088	11.98111513	6.853372905	6.094953639	40.14858364	25.51158329	11.82307961	13.33887844	17.40101513	18.75669902	7.828523899	18.32191231	14.43179992	23.15097496	12.13489731	1.60927797	9.234491819	9.790640743	11.86050908	4.737095814	6.671235078	13.88349606	8.830329209	22.67649033	7.859998677	8.650365315	28.51274587	39.02437641	21.19216628	42.66845622	11.27411412	8.010756245	25.75752134	14.17688258	7.239482415	10.31578748	11.06560554	19.21086211	11.93678579	3.566479834	0.438285806	0.410211817	0.324672256	0.331005019	0.945566593	0.689136948	0.730347168	0.863146155
guanosine	0.954121394	1.212879646	0.668216038	1.887187229	2.217521138	1.558309993	0.566844778	0.99782161	0.624118547	0.738467447	0.854140596	0.224261566	0.85129346	0.45958061	0.751511299	0.734560912	0.513146482	0.466996405	0.83884552	0.787994359	0.520032577	1.664580975	0.714432328	0.429917433	0.923332605	1.29140761	0.635374663	0.532679154	0.228565375	0.489641062	0.452098604	0.362645585	0.460904859	1.032781784	0.304378629	0.568897364	1.589893332	0.761906654	0.831429725	1.399002841	1.562944865	0.385819942	0.434684729	0.796734402	0.938296619	0.867383085	1.343318171	0.746346728	1.604460071	1.250819379	2.175012746	2.01616908	2.085294877	2.162895868	3.171112833	3.961159777	4.446695668	4.7303498
guanine	0.140663414	0.057183643	0.062053296	0.065114221	0.096280002	0.100593124	0.107271505	0	0.005287052	0.104627979	0.027548324	0.029357053	0.032417978	0.021565607	0.07874925	0.079305782	0.093636476	0.055792313	0.043687747	0.041739885	0.13245457	0.084314568	0.050505261	0.05940977	0.053566186	0.016139422	0.093079944	0.054818383	0.095445205	0.049392198	0.050366128	0.023930868	0.030887515	0.175724917	0.016417688	0.100593124	0.014191561	0.144837402	0.360493477	0.119236939	0.022539538	0.097253933	0.070123007	0.056070579	0.097393066	0.119236939	0.124384858	0.012661099	0.350058505	0.157776767	0.019896012	0.060244568	0.011548035	0.047026938	0.167933472	0.097393066	0.091966881	0.237639081
hypoxanthine	7.749586378	1.363874588	1.12484714	1.910164319	1.980043366	1.121147661	0.796004563	0.924047641	1.407240702	1.118064761	1.670725817	0.264307221	0.752021868	0.573830297	1.159786663	1.116831602	0.649875143	0.718521031	0.978923246	0.619457204	0.705161801	2.288949862	1.059489677	0.480315689	4.151020953	3.447503365	0.457091182	0.480315689	0.058986137	0.436127468	0.564787126	0.517104952	0.359054989	2.440011921	0.67186649	0.385978975	2.366022341	0.7816177	0.596232697	1.106144218	1.891050344	0.351656031	0.43777168	1.325441111	0.687897566	1.479791596	2.345880733	2.054855052	3.703795049	3.138185817	28.27902293	30.57023358	27.70971422	28.47509531	98.15909815	122.3203954	139.177688	149.3170351
IMP	11.7025499	1.167943459	1.386918763	1.626754227	3.004088591	6.634884051	1.174483401	1.433713176	1.02699643	1.497308476	0.404461594	0.579461424	0.643958785	1.087434516	2.03121582	1.084841091	0.559165052	4.87315895	1.027898491	0.876916034	1.685049918	1.871438269	1.339447803	1.582102208	1.260179194	2.339720677	0.386871404	0.393636862	0.549242382	0.387660708	0.280540966	2.398241883	0.447647763	2.37896033	0.318089254	0.576304211	3.414526339	2.848257556	1.508809753	5.642842484	1.045939711	0.904428894	2.590155357	1.509486299	0.698871747	0.799113274	1.220714026	2.834050096	1.960291275	0.576867999	1.419956746	1.888351912	1.608036461	1.793748266	8.847188614	10.48690997	12.79167578	13.05180762
5'-methylthioadenosine	0.144890507	0.11400425	0.077296498	0.364005058	0.137128516	0.30158571	0.050291236	0.119502327	0.007276867	0.068564258	0.086675571	0	0	0.006630034	0.195666868	0.015038858	0.017302773	0.012451528	0.058214936	0.033958713	0.077619915	0.148771503	0.031856507	0.163001821	0.103008095	0.036222627	0.052393442	0.024903056	0.028622344	0.101391014	0.075517709	0.114489374	0.013906901	0.193402954	0.027490386	0.122898198	0.267141873	0.119825743	0.125647237	0.196475409	0.016170816	0.002263914	0.050614653	0.066947176	0.134379477	0.107697632	0.177717263	0.051423193	0.328914388	0.102522971	0.089586318	0.026035013	0.052878567	0.03072455	0.184347297	0.13066019	0.273125075	0.321314105
NAD+	58.890522	32.36101144	28.86571827	46.67759106	46.85245805	117.073645	34.47578917	50.5609943	31.85009792	40.72264713	18.35668518	20.57507832	14.9667983	15.85571618	42.06107681	47.40213141	20.84358294	21.36038079	26.59909919	28.91560717	12.21101214	44.10127703	35.12204232	61.48589615	27.90439751	7.552667969	15.82245691	17.58033712	18.18207402	11.51256753	9.965499906	47.53823856	18.30167947	56.54011515	12.37986689	16.62758703	72.40312279	96.72472967	40.2855436	118.0244763	15.99962647	22.37862606	53.7268928	28.78755899	13.61007602	16.38581774	13.46744493	30.2720736	22.62934977	7.286721749	2.912232631	3.032733515	3.131487956	3.334497408	1.618830886	1.570221187	1.612434873	1.671661953
NADH	2.379197747	0.004194003	0.099457775	1.476288907	1.677601031	4.702675175	0.233066715	0.103052635	0.019172583	0	0.002396573	0.016176867	0.023366586	0.03534945	0.84898595	0.31395105	0	0.031754591	0.007788862	0.00179743	0.00179743	0	0.014978581	0.008388005	0.233665858	0	0	0	0	0	0	0.025763159	0	0.14858752	0	0.017974297	2.216829933	0.863964531	0	2.726700818	0	0.011982865	0.178544681	0	0.01857344	0.019172583	0.257032444	0	0.556604056	0.03714688	0.099457775	0.062910039	0	0.045534885	0.005392289	0.178544681	0.142596088	0.159372098
NADP+	4.492831643	3.931829773	4.226497422	3.808107138	3.510842258	12.65767553	3.797670992	8.930743658	3.977588259	7.444797038	1.019389509	1.103681457	0.765710886	0.403373567	1.353771179	1.853950624	1.448688162	1.202329008	1.219895733	1.772397575	0.669141119	1.070436901	4.622220963	6.54289681	4.379734044	0.81203604	0.804197125	1.114212047	1.227923538	0.810099923	0.861997318	3.486947734	2.462080429	8.909210253	1.266834778	1.849464498	6.781275382	7.496363877	2.618008727	11.33247389	1.092253641	0.711499594	1.710914036	1.468427117	0.759902533	1.146842712	0.393976313	1.716722389	1.136359343	0.515101717	0.706116243	0.753763624	0.800466557	0.785874842	1.93422867	1.957556525	1.937959238	1.985181617
NADPH	6.538393755	0.003110065	0.034729061	5.874913177	8.892194773	8.724251252	1.720384404	0.144618032	0	0	0.001036688	0.053907797	0.213039467	0.161205047	2.542996651	0.636008335	0	0.225479728	0	0	0.033174029	0	0.168461865	0	0.312561553	0	0	0	0	0	0	0.007256819	0	1.416634702	0	0	7.345974021	1.913208447	0	3.966369828	0	0	0.034210717	0	0	0.057017862	0.799286758	0	0.680585936	0.046132634	0.018660391	0.040949192	0.019178735	0.00984854	0.234291579	0.130622739	0.192305699	0.206819336
NaMN	0.006786025	0.018473069	0.009990537	0.004524017	0.016399561	0.006974526	0.009425035	0.030160112	0.021866082	0.025447595	0.038077142	0.042412658	0.018473069	0.007351527	0.011310042	0.007351527	0.004901018	0.006220523	0.033364624	0.030160112	0.008671032	0.033553125	0.050518188	0.039585148	0.01885007	0.049010183	0.02412809	0.011310042	0.034118627	0.023751089	0.009236534	0.015268557	0.004712518	0.020546577	0.001131004	0.03751164	0.032422121	0.010179038	0.113100422	0.037323139	0.029971612	0.023939589	0.026390098	0.025824596	0.0267671	0.059377721	0.071818768	0	0.245804917	0.074269277	0.005843522	0.022808585	0.018096067	0.010933041	0.044297665	0.022054582	0.01885007	0.050329688
NMN	0.674417977	0.291348566	2.471067469	0.561115757	0.830882948	1.041301357	0.426232162	0.647441258	0.803906229	0.188837034	1.516091613	0.507162319	0.377674067	0.280557879	0.41004613	0.312929941	1.397394049	0.264371847	0.291348566	0.744557447	0.372278723	0.9603712	0.383069411	0.59348782	0.906417761	1.607812458	0.884836386	0.469394912	0.4801856	1.510696269	0.474790256	0.377674067	0.269767191	0.884836386	0	0.793115541	0.793115541	1.062882732	0.361488036	2.055625995	1.273301141	0.075534813	0.377674067	0.528743694	0.615069195	1.354231298	0.097116189	0.712185384	2.0070679	0.312929941	1.170789609	1.580835739	1.607812458	1.365021986	2.719253284	1.834416898	2.325393186	1.48371955
PRPP	0.352388542	0.114247368	0.150568301	0.455563478	0.370423185	0.448097974	0.207943631	0.096380489	0.083546534	0.097303192	0.117015476	0.137063289	0.069118819	0.148974542	0.47192048	0.181269136	0.007129975	0.156272281	0.107536803	0.071803045	0.025248501	0.01056914	0.16315061	0.043199262	0.044457493	0.061904962	0.014176068	0.168770708	0.077758671	0.015014889	0.019292874	0.038417984	0.047812775	0.169357883	0.02684226	0.044541375	0.367151785	0.200645892	0.165415426	0.357924758	0.056872038	0.044289729	0.079184666	0.107872332	0.113073019	0.091095919	0.235037537	0.251394539	0.194941912	0.085895231	0.085224175	0.044876903	0.031539655	0.032881768	0.132701422	0.031371891	0.055865453	0.012582309
S-adenosylhomocysteine	0.153271819	0.102229321	0.176219295	0.174968489	0.236209866	0.186995468	0.07086296	0.098957983	0.060183003	0.064272175	0.04454793	0.043104692	0.02261072	0.029105289	0.096408263	0.043922527	0.026892325	0.039496599	0.048492779	0.05263006	0.042046318	0.10179635	0.154137762	0.106992004	0.15394533	0.143072941	0.039159843	0.048973858	0.072546737	0.074471053	0.036225261	0.092703954	0.0431528	0.192864634	0.032472843	0.078367795	0.120077358	0.125176797	0.121280055	0.146488603	0.059701923	0.02607449	0.068938643	0.095061241	0.110070911	0.075673751	0.137059452	0.040699297	0.377550922	0.176940914	0.441101479	0.321120337	0.401220017	0.389337362	0.630406127	0.61279863	0.790028191	0.847742296
S-AMP	0.526243188	0.037882921	0.10253095	0.108913398	0.223591589	0.866777708	0.061147976	0.140413871	0.021000315	0.155443508	0.008235418	0.024088597	0.041382974	0.008441303	0.091001365	0.030059274	0.018735575	0.031294587	0.001852969	0.035412296	0.017294377	0.018323804	0.145766892	0.185708668	0.121266525	0.083589489	0.010706043	0.012970783	0.01852969	0.026147451	0.016676721	0.055589069	0.060942091	0.260445083	0.004941251	0.058677351	0.351446448	0.117354701	0.059500893	0.269504043	0.058677351	0.014617866	0.012970783	0.046324224	0.081530635	0.066295112	0.093883761	0.176649709	0.171914343	0.098207355	0.089354281	0.093266105	0.080089437	0.072059904	0.35226999	0.366681971	0.37079968	0.432359427
UDP	6.944799135	2.507949526	3.235993293	3.542737731	4.912580754	13.24502635	4.861943114	5.781884567	1.511394928	3.210601508	0.758105306	0.383649442	1.252661395	0.591307546	3.475755953	4.2982163	0.671860795	1.262292761	1.412308595	1.789974915	0.606338315	2.430314873	2.939901731	6.330580611	2.764785972	1.43069575	0.997722036	0.75533264	0.527682153	1.754951763	0.589702318	2.146189554	1.628138768	5.094701143	0.504187456	1.239381783	7.593165232	6.523353875	2.298978054	10.73153149	0.746284992	0.468580585	1.873738619	1.287976406	0.631146381	0.831945784	1.020487084	1.337884397	1.094619422	0.37036983	0.097481106	0.045967887	0.038087678	0.035752801	0.085368932	0.13046124	0.104485736	0.076029425
UDP-galactose	33.57992705	10.95264222	12.28294774	17.14684874	17.30907699	60.19277729	21.9622506	25.32223814	19.74341519	25.76397991	10.05073443	14.89993667	6.090400761	4.53846232	26.96700907	34.75572625	13.83664733	15.14514179	26.36175207	20.18495375	6.588871616	38.83896729	16.33025472	45.91012081	14.72504174	7.427547644	7.874234157	8.123063167	10.95585969	4.865425062	3.552358406	13.89815182	8.009401788	28.35461944	3.827164257	6.809353017	33.58839408	73.22868087	35.44084426	90.79742467	11.68124689	6.802105242	40.47743876	19.64993921	6.016195731	11.09018062	5.512305978	19.44788206	13.12619597	2.666063814	4.799958004	5.026332456	5.579805123	5.330739036	6.494955345	7.685182363	8.848789046	8.485905786
UMP	24.64085888	7.277462731	18.9368484	10.30353046	19.74000409	48.32267052	13.47572286	19.68208421	2.764406151	9.596075076	1.85071056	0.509164969	3.159397028	1.845410701	4.59437155	4.358906412	0.974568251	1.852451942	3.493136683	2.202394022	1.079202598	3.672499035	8.058434725	6.999220164	6.977793593	7.831373648	2.190431484	1.272874567	0.671794911	6.923356476	1.183382672	4.038037841	2.900915361	8.653003127	1.132201183	3.1042785	16.05486111	5.745727936	3.077249222	14.63858751	2.621082837	0.927399511	1.564063931	2.63054687	1.61486686	1.885765337	2.561043012	2.953156823	3.6037523	1.319664746	4.997312215	4.905851801	4.803034548	4.533877452	5.176447429	4.643963083	4.350578063	4.727700846
UTP	17.67717793	15.7626371	7.151234427	20.34865149	11.70302256	23.09565098	19.63575655	19.10669466	22.30814281	23.89388339	10.83953209	12.46178068	6.609166553	5.791539269	41.4666332	28.91692907	13.66844643	13.34101523	18.20456654	18.79934286	7.520117434	21.12345792	16.35064421	30.65645964	13.35105493	0.908440956	8.096639742	9.800118651	12.33179695	2.426565661	5.849571791	15.78880117	8.706171375	27.7009842	7.701288428	8.919819285	31.41103455	57.88474117	24.55939397	58.96994174	10.24110498	7.79537261	32.19763002	14.77730115	7.930908593	11.05211518	8.840946774	23.54546008	11.58627299	2.64584189	0.132721824	0.093475715	0.105645051	0.086554405	0.12230183	0.101613958	0.104352059	0.09552929
XMP	0.01946641	0	0	0.001052238	0.004208953	0.031041032	0.042089535	0.01920335	0.001315298	0.0520858	0.005524251	0.043404833	0.01946641	0	0.027621257	0	0.014205218	0.001315298	0.013942158	0	0.014468278	0.040511177	0.037617522	0.017361933	0	0	0.024727602	0.002893656	0.001578358	0.011837682	0.00026306	0.004472013	0	0.001578358	0.002104477	0.013416039	0.013416039	0.03261939	0.057873111	0.081285414	0.048402965	0.000526119	0.062608183	0.017888052	0.013942158	0.020518648	0.023675363	0.012363801	0.121796592	0.049981323	0.009733205	0.068921614	0.002893656	0.015520516	0.024201483	0.009733205	0.016309695	0
ZMP	0.002432279	0	0	0.048402357	0	0.02116083	0.038430012	0	0	0.005107786	0.003891647	0.03161963	0	0.023593109	0.045240394	0.03283577	0	0.047186218	0	0	0.003891647	0.018971778	0.002189051	0.006080698	0	0	0	0	0.06567154	0	0	0	0.003405191	0	0	0.014593676	0.013620764	0.083183951	0.035997733	0.048645585	0	0.01410722	0	0.040375836	0.035024821	0.024809248	0.036970645	0	0.089021421	0	0	0	0.029430579	0.003648419	0	0	0	0.010702029
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
adenine	C5H5N5	0	135.0545	Adenine	0
ADP	C10H15N5O10P2	0	427.0294	ADP	0
ADP-ribose	C15H23N5O14P2	0	559.0717	ADP-ribose	0
AICAR	C9H14N4O5	0	258.0964	Acadesine	0
AMP	C10H14N5O7P	0	347.0631	AMP	0
ATP	C10H16N5O13P3	0	506.9958	ATP	0
CDP	C9H15N3O11P2	0	403.0182	CDP	0
CMP	C9H14N3O8P	0	323.0519	CMP	0
CTP	C9H16N3O14P3	0	482.9845	CTP	0
dATP	C10H16N5O12P3	0	491.0008	dATP	0
dCTP	C9H16N3O13P3	0	466.9896	dCTP	0
dTTP	C10H17N2O14P3	0	481.9893	dTTP	0
GDP	C10H15N5O11P2	0	443.0243	GDP	0
GDP-mannose	C16H25N5O16P2	0	605.0772	GDP-mannose	0
GMP	C10H14N5O8P	0	363.058	GMP	0
GTP	C10H16N5O14P3	0	522.9907	GTP	0
guanosine	C10H13N5O5	0	283.0917	Guanosine	0
guanine	C5H5N5O	0	151.0494	Guanine	0
hypoxanthine	C5H4N4O	0	136.0385	Hypoxanthine	0
IMP	C10H13N4O8P	0	348.0471	IMP	0
5'-methylthioadenosine	C11H15N5O3S	0	297.0896	5'-Methylthioadenosine	0
NAD+	C21H28N7O14P2	0	664.117	NAD+	0
NADH	C21H29N7O14P2	0	665.1248	NADH	0
NADP+	C21H29N7O17P3	0	744.0833	NADP+	0
NADPH	C21H30N7O17P3	0	745.0911	NADPH	0
NaMN	C11H16NO9P	0	337.0563	Nicotinic acid mononucleotide	0
NMN	C11H15N2O8P	0	334.0566	Nicotinamide ribotide	0
PRPP	C5H13O14P3	0	389.9518	Phosphoribosyl pyrophosphate	0
S-adenosylhomocysteine	C14H20N6O5S	0	384.1216	S-Adenosylhomocysteine	0
S-AMP	C14H18N5O11P	0	463.074	Adenylsuccinic acid	0
UDP	C9H14N2O12P2	0	404.0022	UDP	0
UDP-galactose	C15H24N2O17P2	0	566.055	UDP-galactose	0
UMP	C9H13N2O9P	0	324.0359	UMP	0
UTP	C9H15N2O15P3	0	483.9685	UTP	0
XMP	C10H13N4O9P	0	364.042	XMP	0
ZMP	C9H15N4O8P	0	338.0628	AICA ribonucleotide	0
METABOLITES_END
#END