#METABOLOMICS WORKBENCH efahy_20230425_000014 DATATRACK_ID:3906 STUDY_ID:ST002595 ANALYSIS_ID:AN004267 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
ST:STUDY_TITLE                   	Gastrocnemius 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           	-	80008815502_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a018.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a019.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a020.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a021.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a022.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a023.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a024.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a025.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a026.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a027.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a028.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a029.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a030.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a031.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a032.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a033.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a034.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a035.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a036.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a037.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a038.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a039.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a040.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a041.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a042.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015514	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a043.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a044.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a045.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a046.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a047.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a048.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a049.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a050.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a051.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a052.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a053.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a054.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a055.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a056.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a057.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a058.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a059.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a060.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015514	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a061.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a062.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015514	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a063.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015514	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a064.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015514	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a065.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a066.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a067.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a068.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a069.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015514	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Gastroc_083120_a070.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a071.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015514	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a072.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015514	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Gastroc_083120_a073.zip
SUBJECT_SAMPLE_FACTORS           	-	80008815502_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a074.zip
SUBJECT_SAMPLE_FACTORS           	-	80009825502_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Gastroc_083120_a075.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Gastrocnemius
#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	90217015514	90218015514	90222015514	90223015514	90225015514	90227015514	90229015514	90232015514	90237015514	90239015514	90245015514	90248015514	90251015514	90252015514	90254015514	90258015514	90259015514	90265015514	90266015514	90267015514	90280015514	90281015514	90283015514	90289015514	90292015514	90406015514	90410015514	90412015514	90416015514	90420015514	90421015514	90422015514	90423015514	90426015514	90430015514	90439015514	90441015514	90444015514	90449015514	90450015514	90559015514	90560015514	90564015514	90567015514	90571015514	90576015514	90578015514	90581015514	90585015514	90587015514	80008815502_1	80008815502_2	80008815502_3	80008815502_4	80009825502_1	80009825502_2	80009825502_3	80009825502_4
adenine	28.73013754	28.35091467	20.62758713	26.80197623	23.60261717	30.24702898	28.7515022	31.16570971	26.68447056	22.80144212	29.53665376	29.48858326	25.32247296	24.90586193	22.6412071	23.89638136	25.62691948	26.32661236	24.29696889	28.98651355	25.23167312	31.43810923	22.65188944	23.54386433	26.40672987	29.35505408	23.39965282	26.99959941	25.23701429	21.28455067	30.79716918	20.52076379	23.39431166	19.12137802	30.10815863	31.74255575	29.09867806	21.54626786	25.32781413	28.00373882	28.57524369	20.46201095	28.82093737	27.36279877	19.48457738	30.84523968	24.0352517	22.95099479	25.16223795	24.51061557	20.95339832	23.62932301	21.40205635	22.96701829	26.76458806	29.93190012	22.63052477	20.30711711
ADP	482.4431197	576.4582043	210.0082998	148.5100455	222.7529148	523.9042224	467.124366	634.3763915	195.431658	391.7438245	349.2211975	614.2711943	541.0916936	956.9106119	431.4538568	449.568869	435.7917133	772.4277057	445.6886239	932.0963705	786.2063764	449.2184968	727.2108557	199.5311244	154.4871221	227.8853172	503.4385087	422.3730321	527.6763059	794.2012384	222.3770503	393.604835	535.9925565	283.3361439	388.280087	327.0870167	346.4511561	332.4441736	286.2885844	428.5315197	463.8853172	573.0795732	389.1543377	618.454252	157.4633423	389.6081286	678.6782162	617.6477175	410.4631447	292.233318	247.7706343	245.8378895	240.3753376	236.1924116	548.4091957	488.2350306	441.2983993	395.9934128
ADP-ribose	3.102102355	3.197691772	3.307745881	3.273765335	3.262285421	3.313026641	3.629566136	5.14016975	2.259400136	3.550278197	2.352004776	2.548234772	4.939577386	5.087897875	3.906232063	3.371421137	4.445405356	3.586631258	2.607318062	3.677552176	3.629872267	3.001155645	3.831076892	2.321238606	3.396983079	3.59474373	2.550301156	8.463451781	3.678547102	3.82878091	1.958549857	3.728522994	6.050220797	3.064448237	3.098122651	2.246542633	2.857427122	5.904119758	2.814645309	3.787988949	11.31904212	3.55785494	3.239937855	2.144294865	6.738709505	3.633316241	4.207541538	3.695613908	3.214069783	2.987532813	5.385304179	7.015145833	7.254540306	6.706183082	5.167491945	6.201143399	5.990142581	5.696792512
AICAR	0	0.009339523	0.003804991	0.004150899	0.016603596	0.007609982	0.015565871	0.087168879	0.030785834	0.015219963	0.000691817	0.014874055	0.003113174	0.005188624	0	0.019370862	0.004496807	0.042546715	0	0.016257688	0.009339523	0.002767266	0.044968073	0	0.001383633	0.011069064	0.006918165	0.006226349	0.00207545	0.017987229	0.023867669	0.009339523	0.005188624	0.098583852	0.058112586	0.080942531	0.007609982	0	0.008647706	0.02974811	0.001383633	0.018333137	0	0	0	0.026980844	0.096508402	0.056383045	0.024559486	0.110344732	0.070219375	0.088206604	0.102042934	0.133866493	0.006918165	0.013490422	0.024213578	0.052923962
AMP	41.45319876	38.97650788	24.00581875	35.46286359	18.17373126	70.34838061	34.85760191	31.9072846	51.82521417	62.59511299	16.7057685	33.48293766	70.97951031	101.2128186	37.49942619	99.33803961	167.4066239	22.78828558	16.79069248	37.97559599	39.98083162	21.09811852	54.00377164	18.43433435	18.64233296	29.60732741	33.41786443	116.0941794	130.6453354	118.5782523	9.563531696	37.22765705	51.91261949	53.92101884	31.72236249	19.02731339	21.40270342	19.29833812	28.30592483	47.38292712	38.64493837	30.52306719	44.95704174	35.42099092	10.69142634	214.595572	109.3412654	86.17519525	117.6841622	30.08833583	25.34518588	32.20851969	35.13681507	40.02059515	119.9111679	114.0790804	147.698492	160.2370924
ATP	4406.300241	4618.573827	4904.410889	5591.686145	4844.588052	8315.000811	7729.040346	5253.770547	5434.078221	7109.518265	6776.685334	4655.11372	7401.663153	5603.759147	5596.110676	8178.627682	7872.948845	4910.770853	3942.738387	4860.341207	5465.921589	6611.452408	6645.682891	6786.155277	7334.569878	7370.152883	6861.425648	8512.739246	8214.594348	6293.301214	4683.392419	6172.484569	7341.046948	7532.80493	8531.47893	6856.294803	9481.521051	8055.653317	6805.670632	6608.540579	6644.94023	6313.869575	6448.766874	6406.810216	4713.401721	7336.642403	5175.016695	2825.667722	3587.859262	7135.03964	447.5640867	503.8682395	485.3356739	473.872962	1398.089469	1398.349679	1350.6848	1374.354888
CDP	0.47567895	0.482764138	0.36283019	0.723374835	0.382714427	0.558987047	0.329175547	0.420940159	0.419854525	0.604526521	0.627439105	0.454937633	0.800226269	0.494706108	0.360316091	1.167856102	0.634752847	0.410369515	0.40688406	0.527046562	0.456594653	0.382371595	0.372943724	0.397856159	0.51641878	0.34717421	0.482307029	0.902218692	0.541731186	0.841423209	0.378029061	0.471050722	0.667264717	0.667836104	0.578471314	0.582356739	0.807082902	0.643495055	0.555615869	0.515390285	1.050379115	0.641266649	0.416426208	0.455337603	0.570757601	0.84302309	1.090376143	0.211641421	0.416254793	0.677435391	0.086050751	0.158045402	0.117534126	0.088736265	0.088507711	0.149017502	0.29032129	0.258666499
CMP	0.027487948	0.16377204	0.05282969	0.010565938	0.111024896	0.268440864	0.526728521	0.197368421	0	0	0.086673711	0.015766361	0.274219111	0.023360629	0.263570627	0.032028	0	0.159231988	0.016674371	0.016426732	0.032275639	0.090223205	0	0	0.082463845	0	0.027735587	0	0.023525721	0.151307535	0.13884303	0	0	0.009657928	0.122581391	0.091296309	0.040117546	0.021792247	0	0.332166678	0.011143763	0.070081886	0	0.397048141	0.801773096	0.045895793	0.072723371	0	0.133147329	0.028230866	0.463379119	0.23471571	0.326553523	0.214125338	0.358581523	0.444512316	0.241071782	0.322756389
CTP	26.38715585	30.48214046	29.1677721	33.54346567	29.27155454	50.22391104	43.51025986	34.12245643	35.58961719	39.2197489	39.47749336	28.3401371	41.88223346	31.43854784	34.42878294	45.57777835	46.13540214	28.30701687	24.58499862	28.59574201	31.87162129	36.05429893	38.16666239	40.26119627	43.77396653	42.07641902	39.05685783	49.11622321	45.83198542	36.60045473	28.37197361	34.59518287	44.85024576	43.23870817	51.52181913	40.03811252	53.85244522	48.90748871	39.27049903	38.93062438	41.57162786	34.70817964	36.0753521	39.01286868	28.30105466	44.05641565	28.73270174	15.38390659	22.05422476	41.65338719	2.348084817	2.121235462	2.341523531	2.061613335	7.692966015	8.211849684	8.044308654	7.894426044
dATP	0.297070409	0.394253585	0.269622622	0.385756909	0.294721098	0.817677784	0.498484694	0.279098178	0.318018434	0.516378615	0.390533842	0.285206387	0.470097183	0.340963374	0.347737222	0.480394998	0.477928221	0.359327157	0.247656562	0.310578949	0.469196614	0.486542362	0.435640618	0.540498211	0.449188313	0.488852518	0.581885244	0.54457035	0.638973508	0.446760691	0.334541923	0.422484475	0.487873638	0.409210866	0.505336852	0.381410683	0.694025701	0.615832792	0.435758084	0.402789416	0.40055757	0.416493731	0.39957869	0.454591729	0.291706148	0.515125649	0.384308167	0.152000439	0.339632098	0.46207037	0.945323696	0.328237938	0.081599411	0.114372303	0.408192831	0.094990485	0.136181743	0.064566904
dCTP	0.255022008	0.404609165	0.320128613	0.341492633	0.378211432	0.58334504	0.502161766	0.419378629	0.394112505	0.465735625	0.353979366	0.254748861	0.399380346	0.308656428	0.360222732	0.479627115	0.500483861	0.312636574	0.214303552	0.249149341	0.404726228	0.409564837	0.300793688	0.470632765	0.44267419	0.425173253	0.473383749	0.472915496	0.495918399	0.443708247	0.340556128	0.379069894	0.522745364	0.500113161	0.591519948	0.464213804	0.670127833	0.581179372	0.426890179	0.47383249	0.430889836	0.363305394	0.338488013	0.533359087	0.277517638	0.446381189	0.305066492	0.149255479	0.204801929	0.445854405	0.185837704	0.097806237	0.067018636	0.07765187	0.246944653	0.162776269	0.121628582	0.116868015
dTTP	0.197955624	0.258665603	0.176210592	0.181322754	0.156862649	0.317516615	0.281707022	0.217866149	0.189492428	0.195289473	0.275958897	0.237336392	0.317565535	0.237311932	0.346795359	0.342979583	0.356921843	0.233251555	0.157914434	0.283981811	0.242277334	0.264536029	0.157351851	0.200083654	0.231759489	0.317614455	0.312306612	0.290292518	0.398919842	0.276301339	0.21559136	0.222513569	0.337035778	0.21811075	0.246411091	0.300688063	0.355918978	0.31419004	0.179757307	0.230022821	0.361985084	0.323998542	0.289216274	0.42196126	0.190128391	0.373163352	0.257662739	0.15715617	0.22735667	0.367561988	0.20157572	0.111122254	0.061810684	0.083433416	0.197784404	0.102047555	0.101093611	0.074872379
GDP	7.194304446	2.855894435	2.234145862	1.41907798	2.972948325	5.488404349	5.266422871	2.931157681	3.070860697	4.201312647	3.656430798	3.957383565	6.206361598	15.55964888	6.415916122	4.964668366	4.482121722	9.105950807	3.586078204	7.696193043	10.01241693	2.848578567	8.414250509	2.16599805	1.673529886	2.349496057	5.576495419	4.856333387	6.158157043	9.840343705	3.171679373	4.288802412	6.836227778	2.978360063	4.264650026	3.2087598	3.063344394	3.406087804	2.969741369	5.926855349	5.445711749	7.691081957	4.24771329	6.866794076	1.747189654	5.664386053	8.6570772	1.943114616	2.643032738	3.488566701	0.504093379	0.417605787	0.334926455	0.324203197	1.160717596	1.185170635	1.735865091	1.629334026
GDP-mannose	1.977281192	2.56461825	1.773556797	2.118808194	1.91396648	3.139292365	3.05698324	2.440223464	2.267411546	2.007821229	2.722905028	1.784357542	2.447672253	2.119180633	2.554562384	2.826815642	2.579143389	1.584729981	1.399255121	1.812290503	1.925884544	2.12141527	2.278212291	2.775418994	2.798882682	2.877467412	2.231284916	2.545623836	2.800744879	2.32849162	1.989199255	2.325512104	3.645065177	2.525884544	3.055865922	2.653258845	3.322160149	3.42122905	2.740782123	3.100931099	2.954189944	2.266294227	2.186592179	2.44990689	1.751582868	3.056238361	1.541154562	0.805586592	1.304283054	2.566108007	0.198510242	0.366108007	0.33594041	0.187709497	0.312104283	0.512104283	0.495344507	0.501303538
GMP	0.889202854	0.664985618	0.541884717	0.492530316	0.468011505	0.943055538	0.666696233	0.708194478	0.816026559	0.727074595	0.294605862	0.613730534	0.74113965	1.034351677	0.422648538	0.789100217	0.599792192	0.497028599	0.308987696	0.549614161	0.454960149	0.64838632	0.315956867	0.364741064	0.430061202	0.398573221	0.519520014	0.84491694	0.508432697	1.005017803	0.333696575	0.402944791	0.713706459	0.470925886	0.530987468	0.439057768	0.52934021	0.770093387	0.350485941	0.719155083	1.691861275	0.577617557	0.480239233	0.595483977	1.481962519	1.706876671	1.183111798	0.592252816	0.816533408	0.69305237	0.655102067	0.57546345	0.798350207	0.630393188	0.95699388	0.886351829	0.794928978	0.954269568
GTP	52.07468064	61.33591983	55.33295191	60.70425431	55.38292375	83.60941509	78.18027409	59.82415991	65.06449854	73.2433423	68.27851926	52.16201961	81.58470629	64.76314778	65.07021982	83.58411629	81.79585743	51.00962785	42.78447744	50.85953354	60.1087044	65.05555903	69.73673154	78.1438009	87.18432368	79.28921985	70.61986537	92.14941491	88.36800372	68.6816016	56.01190742	60.63488374	89.55436561	78.51943896	93.87920939	67.44330118	98.33340783	84.71585779	66.32541591	78.49387197	74.22713498	68.81354872	68.87666163	71.78906341	54.87158399	86.61845293	50.52626874	27.41835996	41.12494748	74.20210436	4.118162395	3.634624496	3.67494167	3.718566461	12.89461216	12.39703924	12.39864835	12.76865451
guanosine	0.261021392	0.438343098	0.384730489	0.573414867	0.492755896	0.497396988	0.353683186	0.39209222	0.322155771	0.437382872	0.362805332	0.285987264	0.615664804	0.438823211	0.310633061	0.571654453	0.396413236	0.186123776	0.38329015	0.523803199	0.376888644	0.391772145	0.402174591	0.307752383	0.41785828	0.446985131	0.332718255	0.326156712	0.385850752	0.42329956	0.301991028	0.339919949	0.338639648	0.315754265	0.323436072	0.567973587	0.271743914	0.629107966	0.335758971	0.434662233	0.316554454	0.439943475	0.435782496	0.291428544	0.212690025	0.3839303	0.342480551	0.691842721	0.40089429	0.387771204	0.532765306	0.774102069	0.569093851	0.70752641	0.36024473	0.571974528	0.451946298	0.401694479
guanine	0.086320115	0.087379258	0.035481274	0.040247416	0.219772073	0.031244704	0.069373835	0.034422132	0.043424843	0.066196407	0.028067277	0.088967972	0.078376546	0.003706999	0.092145399	0.00847314	0.020123708	0.095322827	0.072551262	0.016416709	0.006884426	0.018534994	0.013768853	0.033362989	0.012180139	0.040776987	0.018534994	0.042895272	0.007413998	0.048720556	0.034422132	0.050838841	0.049779698	0.020123708	0.030715133	0.016416709	0.02118285	0	0.000529571	0.010591425	0	0.007943569	0.09691154	0.01694628	0.090027114	0.006354855	0.020653279	0.12603796	0.020123708	0.036010846	0.015887138	0.033892561	0.025948992	0.076787833	0	0.037069988	0.00847314	0.113857821
hypoxanthine	0.115455729	0.461822914	0.280392484	0.775202749	0.032987351	0	2.210152517	0	0	0.626759669	0.164936755	0	0.445329239	0.115455729	0.065974702	0.082468378	0.428835563	0.065974702	0.263898808	0.527797616	2.704962782	0.65974702	0.14844308	1.698848577	0.412341888	0.049481027	0	0.247405133	0	0.263898808	0.890658477	2.078203113	0.577278643	0.115455729	0	0	0.577278643	1.401962418	0	0.263898808	1.731835928	2.078203113	0.263898808	0	2.655481756	0	0	3.44717818	1.517418146	1.385468742	7.059293114	9.681787519	10.98237156	7.218115664	4.737950133	3.183279372	5.376938213	6.036685233
IMP	2.264060065	3.364074231	4.789842754	3.537328233	3.637413231	3.606176512	3.804434056	3.701799122	2.704490721	3.756906077	13.0998725	3.357911886	4.168295793	7.131038391	3.809958918	5.340345658	3.008712282	6.381144638	6.8413373	5.886598668	3.608655617	4.731973367	7.295367616	1.690891061	1.965717524	3.24068565	3.927964301	86.30981725	7.477404732	15.60553903	5.874203145	14.9252727	7.225173537	4.094630968	2.877178071	2.294588469	8.092576852	39.50736648	4.941280635	6.524366058	238.013033	6.259243519	9.434976626	27.22857345	187.6379091	11.32391274	19.21851537	19.91365633	14.03520329	20.02932427	41.94857629	40.73827738	41.29154271	41.47088823	38.94071398	41.52358691	43.39042357	40.98498371
5'-methylthioadenosine	0.546264023	0.137664392	0.4005448	0.615828476	0.49354149	0.575554319	0.522099528	0.597522041	0.233590112	0.802554114	0.275328784	0.269470724	0.519170499	0.432764125	0.456196362	0.117893442	0.387364166	0.278257813	0.552854339	0.610702674	0.393954483	0.464251194	0.959989455	0.984886207	0.77546059	0.69930582	0.296564248	0.806215401	0.436425412	0.645118772	0.289241674	0.850150845	1.001728127	0.518438241	0.295099733	0.486951173	0.426173809	0.660496178	0.41445769	0.87138631	0.43715767	0.800357342	0.858205676	0.452535075	0.403473829	0.501596321	0.555051112	0.350019039	0.406402859	1.036876483	0.309744882	0.332444861	0.277525556	0.388096424	0.436425412	0.465715708	0.295831991	0.469376995
NAD+	371.690949	426.5199245	408.8746467	454.8638888	396.1185372	621.5487606	565.0278655	465.829568	420.8473071	520.6436219	473.8403636	360.1195745	609.9272615	440.9369518	469.7814368	578.7180873	613.1527595	374.5413824	314.1217852	388.6995296	464.9580388	513.1656528	530.47556	535.7308111	606.1902327	574.4295439	508.2276638	621.9620705	626.0601118	513.080615	368.9330867	470.6442739	597.6270533	556.0168975	628.0284406	497.0701787	687.9909776	576.0662687	481.478847	537.0305716	512.5499615	502.1143563	474.5161753	465.9928348	369.2597652	565.5351951	408.5213123	253.4583742	302.9602437	534.6896409	198.977373	200.6497354	196.5069298	203.160452	235.8183117	247.6468279	245.844953	232.2410728
NADH	3.28567967	1.547532509	0.79880462	1.212341491	1.012842258	3.847023665	1.154187869	1.563686294	0.417575317	1.57741701	3.52879412	1.713108796	2.207414587	1.906954204	0.592843874	1.444148292	1.521686455	0.856958242	1.218803005	0.083999677	1.095226557	0.238268314	1.75914708	0.627574509	1.591147726	0.785073904	2.936757936	1.489378887	1.750262499	1.409417656	0.053307487	1.34480252	1.134803328	1.528147969	3.177449318	3.836523706	2.05233826	1.653339795	0.877150472	1.50634036	4.294483483	1.32461029	1.356110169	1.888377352	1.040303691	1.029803732	4.54971327	0.311768032	1.33511025	1.62749374	0.903804216	1.458686697	1.32461029	0.773766255	1.052419029	1.216379937	1.614570713	1.044342137
NADP+	6.82869463	11.0229029	6.503962836	7.998891577	8.708011733	10.33694247	10.74899634	10.08768254	8.165019803	7.866962246	5.679359458	6.25222473	8.888918927	7.632751637	9.542663008	11.38998905	9.775702114	6.119349185	4.833353609	6.868976331	7.462207744	8.593204378	7.231331414	10.4945097	12.93479681	10.03054921	7.776621293	10.30738453	11.03146388	11.79762725	8.636730243	7.636896957	13.43255068	8.590861371	10.99550773	7.275082568	11.2194001	10.97811541	7.978210033	11.02641741	7.863673024	9.535093292	7.491540392	8.067920176	6.228614427	13.03478014	4.834074535	3.174819881	4.527996684	10.61476906	1.069537752	1.169205675	1.030788016	1.144784331	2.067478609	2.340529069	2.236986172	2.307997315
NADPH	0.439675263	0.018197508	0.042265179	0.004109115	0.008805246	0.594060568	0.114468193	0.065158817	0.015849442	0.423238804	1.315503689	0.017023475	0.05341849	0.31229271	0	0.044026228	0.261222285	0.115055209	0	0	0.054005506	0	0.626346469	0	0.105662947	0.181975075	0.469613098	0.33812143	0.461981885	0.111533111	0.022893639	0.065158817	0.04696131	0.820648888	1.199861464	1.377727425	0.666850598	0.135013766	0.109185045	0.108011012	1.419992604	0.048135342	0.202520648	0.940400228	0.045200261	0.170234748	2.240054475	0	0.076312128	0.772513545	0.041091146	0.004109115	0.007044196	0.035220982	0.032872917	0	0.007044196	0.033459933
NaMN	0.065367528	0	0	0	0	0	0.109055374	0	0	0.08244849	0	0	0	0.121373375	0	0.041716965	0	0.097558572	0	0	0	0	0	0.097722812	0.052064086	0.174751382	0	0.086882971	0	0.289883636	0.058305207	0	0	0	0	0	0	0.052556807	0	0	0	0	0.073579529	0	0	0	0	0.24521035	0	0.1604625	0.053049527	0.048779286	0.08129881	0.156520739	0.110533534	0	0.120552175	0.08458361
NMN	0.80972601	2.130857922	1.793794942	1.232023308	1.046057525	2.064995041	2.467920903	2.545406645	2.731372427	2.154103645	1.201029011	1.452857674	2.560903794	1.86353211	2.529909497	1.902274981	2.239337962	1.751177783	1.514846268	1.301760476	0.821348872	1.379246219	0.968571783	1.696937763	1.088674684	1.886777833	1.166160426	2.374938011	2.049497892	1.294011902	1.158411852	2.138606496	1.344377635	1.386994793	1.975886437	1.964263576	2.301326556	1.979760724	2.274206546	2.119235061	1.685314902	1.654320605	1.313383337	1.751177783	1.127417555	1.386994793	1.286263328	0.759360278	1.429611951	1.166160426	3.374504091	3.041315398	3.587589883	2.80885817	3.188538309	1.995257873	2.157977932	2.204469378
PRPP	0.028793391	0.053570345	0.04059279	0.043359669	0.025919407	0.173135213	0.056497881	0.062460059	0.038664901	0.08116773	0.119047194	0.061460412	0.02663344	0.049768118	0.022045777	0.098536589	0.048215095	0.117993995	0.059800285	0.073313364	0.26519195	0.114548785	0.038843409	0.024527042	0.02147455	0.06979675	0.176348363	0.076740724	0.154909514	0.042038708	0.096930014	0.083024216	0.025901556	0.039307531	0.083131321	0.050803466	0.197269537	0.129132914	0.123706261	0.049071935	0.304713691	0.056069461	0.020349948	0.372636104	0.119707675	0.042395724	0.074313011	0.010906858	0.03091764	0.033202546	1.690991399	0.182667557	0.03521969	0.026615589	0.282400151	0.036272889	0.030881938	0.065316192
S-adenosylhomocysteine	0.214798638	0.262132228	0.289094401	0.246254505	0.201617131	0.327740181	0.234271317	0.249250302	0.105452051	0.268123822	0.29898053	0.248950722	0.292988937	0.292389777	0.23217426	0.504791777	0.218693173	0.197123436	0.167165467	0.368183439	0.209106623	0.283402386	0.258836852	0.201617131	0.179747814	0.266326344	0.246853664	0.437985506	0.266925504	0.326541862	0.181245712	0.265727185	0.288495241	0.305870863	0.203414609	0.303474226	0.283402386	0.224984347	0.291191458	0.233072999	0.41521745	0.233072999	0.118333977	0.255541475	0.375073771	0.222587709	0.360693946	0.267225083	0.262132228	0.237267114	0.503293879	0.436188028	0.466445577	0.393348133	0.429896855	0.359795207	0.498800183	0.372677134
S-AMP	0.050629794	0.094303692	0.017674815	0.069672982	0.058041813	0.136723249	0.052454291	0.034893506	0.005473491	0.025771021	0.041621339	0.071269417	0.084040896	0.067962516	0.033069009	0.046182582	0.075716628	0.039682811	0.033525134	0.074462287	0.032498854	0.100119276	0.019841406	0.015736287	0.019955437	0.045498396	0.076058721	1.285814307	0.115057346	0.110496104	0.044814209	0.074120193	0.054050726	0.030674357	0.028621798	0.030104202	0.030332264	0.626600711	0.00535946	0.036946066	1.005639977	0.116425719	0.061234683	0.138775808	1.24864018	0.140942398	0.059296155	0.136495187	0.081532213	0.086777642	0.601627908	0.318032645	0.22988663	0.410739902	0.410397809	0.177318309	0.113917036	0.183361955
UDP	1.884993819	1.252374396	1.008100584	1.39172253	1.313731796	2.126755043	1.197097458	1.402225148	1.160564428	2.12012181	1.365340355	0.977949527	1.76946502	1.834340044	1.219258485	2.678519382	1.747806511	0.858702098	1.130061609	1.659212655	1.118503704	1.24051498	1.135589302	1.154081951	1.752479924	1.311369964	1.354686982	2.236303882	1.499361803	2.211228254	1.065236837	1.288605916	2.071628861	2.132634499	1.874440949	1.767505201	1.818711746	1.66790621	1.354887989	1.321169057	2.416908713	1.482376707	1.210916693	1.337299872	1.616699665	2.311882531	3.356968412	0.768098172	0.934632509	1.578206816	0.290254173	0.284223962	0.281108353	0.197589926	0.224173107	0.494829094	0.475783676	0.489401904
UDP-galactose	6.705511658	12.3251733	11.55635271	12.80546803	10.43986621	19.43235251	10.3520287	8.507150128	8.493286151	8.61466867	7.315138882	6.756992583	11.2307916	6.903970139	13.86737118	10.08890397	11.28838044	6.21241941	5.139657763	7.876096757	10.34058849	11.61219642	8.658199622	14.03402976	14.98308207	13.27218964	8.856173348	9.831790198	13.21304959	8.399728537	6.097047845	8.547578651	13.30156576	12.7701779	13.08953415	15.10902128	16.81574483	11.94134471	11.6639682	10.79247661	9.578457511	9.839352368	9.905182025	6.575985263	6.687575743	12.05749188	7.037471521	4.251005866	5.722041786	9.175141791	1.363808231	1.427117165	1.429443987	1.458820108	2.644335644	2.740801784	2.79887537	2.539337825
UMP	0.938911635	0.854383526	2.036568416	0.417012887	1.288996994	0.384946594	1.353205119	2.388013476	0.534778142	0.812723784	0.096992038	0.488586062	0.67290115	0.988805125	1.061889079	0.343513469	0.177780967	0.822128386	1.213231406	0.801506247	0.419279056	1.134670877	0	0.11595232	0.536931003	0.245690502	0.815480957	0.574285024	1.214137874	0.761281745	0.096765421	0.642912178	0.803923494	0.372293816	0.294488677	0.464111435	1.00160898	1.239179042	0.186770105	0.071044402	1.019776102	0.913643849	0.530887885	0.320247466	3.369717937	1.561012827	0.394464504	0.33165385	0.836934024	0.257399042	0.724796422	2.373170068	1.084248614	2.103533713	1.646069707	1.760511248	1.181467269	1.388368509
UTP	50.4600451	56.60147441	53.83799182	64.28589783	56.13551483	88.42847459	77.36851899	60.95918783	67.16485688	71.12295485	67.65225924	52.5017389	75.5563604	64.99286717	64.2950243	88.95710115	81.89478418	55.84484111	44.89391583	53.5351347	58.08920019	68.32998844	66.05878157	75.94811202	79.90468153	83.6510542	74.34468826	91.03277556	85.08441987	73.04347922	53.64423149	62.16775874	88.27888462	76.49955475	90.60279022	68.81951736	91.76315918	86.30056664	66.15881834	79.88684946	75.58338539	66.16991631	64.7062029	67.79713092	54.24124014	85.42602019	49.70536114	29.14476978	40.30256915	76.29688947	3.508951475	3.572327295	3.560166049	3.459398273	12.04630134	12.32915554	11.65237886	12.29039018
XMP	0.045476053	0.012617633	0.001117186	0	0.017086378	0.011171863	0.017283529	0.072485674	0.034567057	0.081554598	0.050207665	0.080240261	0.023263761	0.051719153	0.021160822	0.048959045	0.02162084	0.037918616	0.029375427	0.0062431	0.002168656	0.021292256	0.060393775	0.008148888	0.002431523	0.001577204	0.059802324	0.010383261	0.00394301	0.007951738	0.037918616	0.079385942	0.011829031	0.026746754	0.086877662	0.003285842	0.069002681	0.035618527	0	0.00893749	0.01642921	0.049287629	0.007623153	0.011106146	0.004205878	0.044753168	0.038575785	0.060262342	0.03305557	0.047841859	0.545712633	0.104424058	0.116515956	0.187884444	0.009134641	0.004731612	0.076494401	0.061839546
ZMP	0	0	0.004891004	0.159772797	0	0.009782008	0.145099785	0.190749155	0	0.026085355	0.026085355	0	0.011412343	0.101080749	0	0.164663801	0.151621123	0.017933681	0	0	0	0.02445502	0.008151673	0.013042677	0.068474056	0	0.050540374	0	0.04564937	0.112493091	0	0.145099785	0	0.057061713	0	0.088038072	0.008151673	0	0.022824685	0	0.102711084	0.029346024	0	0.026085355	0.008151673	0.019564016	0	0.032606693	0.110862757	0.179336812	0.344000613	0.171185139	0.469536382	0.231507522	0	0.021194351	0.017933681	0.017933681
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