#METABOLOMICS WORKBENCH efahy_20230425_000021 DATATRACK_ID:3916 STUDY_ID:ST002601 ANALYSIS_ID:AN004273 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 Heart Powder
ST:STUDY_TITLE                   	- 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           	-	80022815818_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a020.zip
SUBJECT_SAMPLE_FACTORS           	-	80023825818_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a021.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a022.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a023.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015810	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a024.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015810	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a025.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015810	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a026.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015810	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a027.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a028.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015810	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a029.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a030.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a031.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015810	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a032.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015810	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a033.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015810	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a034.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a035.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015810	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a036.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015810	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a037.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015810	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a038.zip
SUBJECT_SAMPLE_FACTORS           	-	80022815818_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a039.zip
SUBJECT_SAMPLE_FACTORS           	-	80023825818_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a040.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015810	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a041.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a042.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a043.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a044.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015810	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a045.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015810	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a046.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015810	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a047.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a048.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a049.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a050.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015810	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a051.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015810	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a052.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015810	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a053.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015810	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a054.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a055.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a056.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015810	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a057.zip
SUBJECT_SAMPLE_FACTORS           	-	80022815818_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a058.zip
SUBJECT_SAMPLE_FACTORS           	-	80023825818_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a059.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015810	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a060.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015810	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a061.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a062.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015810	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a063.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a064.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015810	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a065.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015810	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a066.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015810	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a067.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015810	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a068.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015810	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a069.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015810	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a070.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a071.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015810	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a072.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a073.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015810	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Heart_092220_a074.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015810	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Heart_092220_a075.zip
SUBJECT_SAMPLE_FACTORS           	-	80022815818_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a076.zip
SUBJECT_SAMPLE_FACTORS           	-	80023825818_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Heart_092220_a077.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Heart
#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           	RP
CH:INSTRUMENT_NAME               	Waters Acquity UPLC system
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	90217015810	90218015810	90222015810	90223015810	90225015810	90227015810	90229015810	90232015810	90237015810	90239015810	90245015810	90248015810	90251015810	90252015810	90254015810	90258015810	90259015810	90265015810	90266015810	90267015810	90280015810	90281015810	90283015810	90289015810	90292015810	90406015810	90410015810	90412015810	90416015810	90420015810	90421015810	90422015810	90423015810	90426015810	90430015810	90439015810	90441015810	90444015810	90449015810	90450015810	90559015810	90560015810	90564015810	90567015810	90571015810	90576015810	90578015810	90581015810	90585015810	90587015810	80022815818_1	80022815818_2	80022815818_3	80022815818_4	80023825818_1	80023825818_2	80023825818_3	80023825818_4
adenine	67.80890532	43.49925731	34.97115617	26.0154064	28.01582093	27.62237038	28.52050157	31.42664686	32.5379115	30.46910083	26.15772566	32.82565892	42.48436906	28.56886248	30.75097585	26.10901931	32.68541228	30.03316177	25.85097931	32.66261356	30.5810218	31.14891706	34.7794397	25.93837438	26.9125013	33.51272928	27.04929359	23.89512591	27.92324433	38.71567239	27.85173927	35.69242461	25.96359114	38.53051919	32.62565201	23.17938443	67.5025044	32.85398459	27.95571522	40.27980241	47.51010398	35.74078552	30.5150437	32.03599433	46.75049224	25.91281219	27.15396041	30.25942174	30.28222046	30.16304536	24.90206916	29.10428685	33.99219317	33.15209506	19.89533317	20.58240354	21.93201838	20.47704584
ADP	1233.462192	1242.598377	1586.523568	1576.549105	1521.426307	1648.828974	1292.282717	1276.614231	894.3819243	1337.793326	1467.476527	1252.375564	1427.16495	1507.880382	1495.257607	1537.650544	1365.560925	1579.249063	1065.778706	1387.461338	1520.617459	1538.662743	1360.020886	1207.95576	1428.431955	1121.014857	1688.047847	2076.854227	1523.799117	915.5769687	1388.048227	1605.897375	1522.823183	1326.209332	1303.107039	1795.023307	1582.47667	1631.45811	1610.732425	1616.360374	1053.221816	1003.264822	1297.398585	987.4444392	1029.213272	1707.727156	1479.088052	1263.318175	1326.309014	1153.614278	1696.509612	1530.267432	1411.564058	1346.012816	328.5257512	389.5404187	404.8035316	407.3352637
ADP-ribose	5.711336594	7.635175282	6.642213995	4.5001295	5.538872892	8.67201426	3.170772583	9.07216966	3.120724591	4.204945381	4.987354693	4.173560644	10.12058747	9.010009598	9.196489785	12.46560629	5.699529229	4.176379176	4.64836906	8.207108795	10.08486067	15.19348843	9.258497494	5.5122111	11.30178101	6.850252144	9.76926124	15.66624008	7.730015083	12.21094809	7.932339991	18.10297546	8.392065451	8.862379451	15.42217042	13.77287201	9.694836754	11.01634749	11.05679723	8.639258345	4.777183601	14.12343648	10.06452154	8.163231104	9.259868672	6.71336289	10.49088167	11.12878407	8.534134711	23.05985953	6.203208556	6.849185673	8.110897817	8.097719274	2.839934793	3.435257553	3.851638558	3.884623002
AICAR	0.311505424	0.257630144	0.176718792	0.119234328	0.082617512	0.123368485	0.017914679	0.10309143	0.090492096	0.080517623	0.071133743	0.123302863	0.092198256	0.18433089	0.051775391	0.091804527	0.066212128	0.113262768	0.060437433	0.087801613	0.022705051	0.061093648	0.16293827	0.049084908	0.069493205	0.107159966	0.061290513	0.080123893	0.043113348	0.103747646	0.040947837	0.040422865	0.049937988	0.084520536	0.08681729	0.034976278	0.127174534	0.137411493	0.08596421	0.24463708	0.104272618	0.430083536	0.136099062	0.189843099	0.104600726	0.135770955	0.099613489	0.071593094	0.127108912	0.115297036	0.104403861	0.041866539	0.169434802	0.108341153	0.022048836	0.087539127	0.075005414	0.101254028
AMP	3343.871323	2938.049456	3223.613804	1764.962429	1767.550585	2305.666289	1201.350601	2259.31298	1606.208126	2086.966493	1266.888032	4052.328858	3636.63411	3008.646632	2293.062401	2329.847425	2317.80759	2499.852801	1949.446344	4284.294263	3550.984897	2928.433818	4603.064417	935.5334379	2053.478898	4289.234321	1767.945184	1849.649395	3160.050555	2483.21719	2387.684503	5031.093359	1602.281544	4061.254827	3114.042594	1525.391457	5142.391824	4550.063322	2722.442458	5202.259132	3440.110597	3789.087794	3909.313059	3411.122688	3821.528711	1624.002712	2282.189841	2410.271749	3299.543857	2591.877616	1670.810187	1542.915756	1634.983102	1999.858493	228.7103099	226.7139147	228.7313778	247.3215648
ATP	5294.600976	6105.93415	7017.583398	6640.378511	5953.82419	5863.295053	4870.741001	5483.250883	4620.495748	5832.838384	5201.418967	6282.492963	5366.092861	5688.849194	6239.169312	5772.964754	5680.047613	5861.646404	5180.823501	6571.856172	5737.262382	6453.724621	6538.755465	4725.370426	6039.581062	5767.692999	6539.666557	6266.494131	6990.084746	4901.294394	6205.350812	6656.079685	5937.057705	5792.019824	5597.87911	6539.882913	6701.878481	7153.106995	6555.383602	7270.697281	6025.507426	6347.704677	6398.351949	6116.157094	5922.646733	6324.991466	7443.20866	6449.699497	6547.790621	6139.688866	2798.872851	3004.272774	3203.18156	3251.583518	642.6142421	655.6721267	662.6606576	695.4777804
CDP	4.314931231	4.704720567	5.206016322	4.139071888	4.291547736	5.477921922	4.81854601	4.612346099	1.974455947	4.919423568	5.150552991	3.715656699	6.43548571	6.451139124	4.65061	6.549504405	3.732469626	5.810701911	3.410705003	3.889003766	6.323206283	5.892447518	4.083222052	3.651110523	5.16388738	4.1116301	5.766447197	8.757215548	4.81274845	3.223637042	4.119939937	7.074763411	5.916797273	5.09992096	6.281077341	7.189361862	8.097066628	6.501384651	6.145994175	6.322626527	5.482559971	2.316705285	3.575162477	2.367337316	3.290695495	5.504977206	3.181314848	2.966998352	4.632637562	3.320842811	3.083142819	2.804280146	3.042946398	2.949219165	0.780544932	0.833109483	0.793879322	0.730106153
CMP	2.517000732	2.772591786	2.211969229	2.465150731	3.272618559	4.020561515	2.643903832	3.816285005	0.91116783	3.245934996	3.778803077	1.125974976	4.246345512	3.99780463	2.618826637	3.041658486	1.772716726	2.662466311	1.482053296	2.629803488	4.048048262	3.590590251	1.82135399	1.50579185	2.654969925	2.087743409	2.764381459	5.755796312	2.990611669	1.753886519	2.211255288	3.002570189	3.812001356	2.772948757	3.476448855	2.989183786	4.162814357	4.842932872	3.363824585	2.393578096	2.408481625	1.517839613	1.732736002	1.553893658	2.365734378	3.104753065	1.664733075	1.262605529	1.913809413	3.1391115	2.912702804	2.83184893	3.153568815	2.992039552	2.180466561	2.717350563	2.972495404	2.442929302
CTP	21.57788619	41.74252088	51.88305644	52.51950894	38.0043216	35.07572817	31.12211592	32.61121237	35.69182932	37.79858386	37.11242067	46.56301191	30.90425632	34.04570492	43.10817468	27.92439527	40.30580414	30.22509934	39.07015435	45.8407056	36.89178083	43.9731629	51.02685378	33.7244204	41.08126863	43.79711811	40.40989632	36.37043026	52.61581645	35.2440995	46.7668591	44.52187103	40.97028146	43.67489877	36.88744366	47.47370727	45.07480513	51.47758626	42.59071645	51.18655076	44.62607442	50.42832375	51.77318136	49.92565639	43.32903694	34.62010247	57.4538786	50.49905305	50.63928835	50.27318637	14.49883953	14.14530423	14.53186878	14.1402998	4.727964653	4.853297865	4.633436499	4.937372317
dATP	0.414331671	0.592963791	0.633432661	0.618572998	0.620944221	0.555024226	0.53779334	0.405795269	0.372598149	0.480093584	0.451006584	0.606242639	0.442628263	0.517558905	0.397575029	0.547594394	0.462546535	0.658093379	0.431562557	0.613356308	0.339559111	0.570832378	0.565299525	0.438676225	0.634539232	0.486100682	0.622366955	0.533367057	0.819494613	0.490685046	0.624263933	0.455116704	0.601974438	0.501908834	0.54301003	0.679592466	0.567512666	0.57415209	0.629638705	0.61051084	0.506967443	0.551862596	0.443418671	0.491475454	0.351415225	0.621418466	0.618889161	0.501592671	0.471557182	0.599287052	0.489262313	0.352837959	0.176102816	0.349360165	0.181793751	0.163930539	0.052483066	0.116189919
dCTP	0.800645641	1.013467927	1.352770874	1.379843372	1.18000222	1.029352737	0.767424184	0.917988266	0.913632753	0.980246471	0.895100476	1.055571213	0.767936597	0.811747927	0.991007148	0.80952747	0.948562254	0.848812482	0.873835327	1.143279274	1.000657597	1.231926759	1.317158156	0.916365624	1.112278275	1.013894938	1.017823439	0.915767808	1.222020104	1.062744998	1.226290214	1.192556344	1.147720188	1.112961492	1.196228639	1.411356785	1.171974414	1.385821526	1.141229621	1.480105557	1.034733075	1.455424321	1.182478884	1.245505709	1.181624862	1.013211721	1.504957598	1.324161137	1.095881052	1.37548786	0.532397325	0.444091449	0.474067621	0.505410229	0.230158933	0.182248298	0.20248862	0.221447909
dTTP	0.303581297	0.376045065	0.558318627	0.425156425	0.390216946	0.330855482	0.255628643	0.286111557	0.255717775	0.397793108	0.516248641	0.533361855	0.34814696	0.398417028	0.632208496	0.408399736	0.50207676	0.43086083	0.493965809	0.611440897	0.298055154	0.37167763	0.369449347	0.275772323	0.327557623	0.508226821	0.536035795	0.432376063	0.550207676	0.361516659	0.338966433	0.414193272	0.39253436	0.36294276	0.288428971	0.444230529	0.399486604	0.386829955	0.396456138	0.442002246	0.604756048	0.849867194	0.640854235	0.806281976	0.588355884	0.685954686	0.798973207	0.761092394	0.616967039	0.716259337	0.210973849	0.158475498	0.146710163	0.167210368	0.145284062	0.125853432	0.135568747	0.110166319
GDP	43.66335307	25.14701818	19.77195642	20.48556617	22.86063631	25.79832003	21.29473146	21.60333984	14.12195265	22.25037058	22.69473314	17.11482576	32.8698485	25.54431482	22.23454236	29.28010921	15.52614168	26.25516092	18.5664157	18.19198204	23.53387992	24.36456824	15.70954802	18.44699222	20.92733257	18.89847329	26.94322778	39.0795347	18.71749562	13.77415059	19.99321648	26.71267179	28.70191865	18.40059628	19.71040224	29.35933404	54.17236845	24.23316891	25.46785364	28.1947457	34.18635423	14.59512424	14.43826576	21.31072718	17.73087005	29.84607268	15.41107305	10.44352509	14.5368362	14.78363915	11.76237574	11.59488137	12.39642567	13.15793881	4.10972556	4.651988577	4.7107791	4.280988552
GDP-mannose	15.49368653	8.688329536	7.650411828	6.090814341	6.131028694	5.614606296	4.63064592	6.265968142	4.70609395	5.596159345	5.400529427	6.22538485	9.066307566	6.994622714	6.433650928	5.300915891	5.414087937	6.184617087	4.678146819	7.032715668	6.385412151	5.67907839	7.967883858	3.892675638	6.077163597	7.266807478	5.900902978	5.02356598	7.070070744	5.299440135	5.679170625	8.32593918	4.812348389	7.69330099	6.141266752	6.428670252	14.49708999	7.312740387	6.011492451	8.835075033	9.601638089	9.025539804	7.141275976	6.250011529	9.149872255	7.569429713	7.444543853	6.847877217	7.464927734	7.917708151	4.384748061	4.412234018	4.803401618	5.633237717	1.389701067	1.142142982	1.076840775	1.240834171
GMP	71.7883928	42.72931681	31.92996719	21.74115252	25.98750513	33.73564481	21.89158903	32.98324251	16.99822757	29.37166755	23.9722857	25.15966485	52.66984532	40.63214097	30.78389582	30.50104002	21.350999	36.82017929	19.74592781	28.9009492	38.16876135	31.86500264	29.82956876	16.2187262	24.84084784	31.77484326	27.24497568	30.79136638	23.48157263	18.74721685	24.79932033	41.18591434	23.77607371	33.52353958	26.66066092	23.61618914	86.6715738	35.93132947	29.48365266	45.43285287	34.62573973	22.40896174	21.31833363	15.90840511	26.55079979	31.75147946	18.1517695	14.79748931	20.74654304	24.69458604	24.30201559	28.17293608	31.70401945	32.35307904	8.856638542	8.653322201	8.882712252	9.100530263
GTP	127.5880832	117.7621844	144.3537873	135.5449305	114.2363431	108.9583558	88.81639909	97.9628632	97.99940739	108.9970549	100.8048702	133.1769206	101.1404123	92.55629781	121.8348418	95.56827569	119.5277987	106.1851273	105.9255468	139.502119	108.7434903	119.5160363	143.6649248	89.76107101	129.7571203	116.2470819	116.0003412	110.0816184	146.2373846	109.9458571	124.7115074	122.7075028	114.6104946	113.4083073	114.6159717	138.2988543	163.9494667	147.8365298	128.957817	144.0517365	144.7080954	145.052796	148.8870632	148.2609633	135.3742413	118.5396689	174.1084833	155.2047193	151.6470028	152.322397	45.38761987	47.33775096	47.40123191	46.44892792	15.72100708	14.73988076	14.75038609	14.53363502
guanosine	12.01404102	4.078273661	3.490242624	2.069472767	1.962460462	2.321882911	1.434154287	2.79254765	1.224927869	2.131975529	1.466794618	2.272259506	7.828691925	4.347919416	2.8485476	2.75037407	2.676128364	2.98194996	1.97319326	3.702941418	4.066593852	3.609376677	4.567310424	1.064630381	2.590329118	3.993042622	2.646265933	2.762180147	2.399348456	2.810604004	2.444110535	3.543149003	1.679114607	4.216221676	3.346675674	3.304502093	9.158738076	3.692839961	1.92319105	4.325443675	3.429065678	4.336681545	3.104051315	2.077490798	5.24518129	4.360546236	2.196751119	2.063727564	2.544114955	5.712499921	3.982518167	3.547631524	4.281691741	5.06177672	2.200854836	2.180715057	2.142582059	2.418920028
guanine	0.202301097	0.247552658	0.094261037	0.321771481	0.034134396	0.163625887	0.05370687	0.105847942	0.108666379	0.037109412	0.247396078	0.172081196	0.085805728	0.100993969	0.147498168	0.141234976	0.129648071	0.14624553	0.105534783	0.095043936	0.078446478	0.057934525	0.075628042	0.050888434	0.095826835	0.136067843	0.042589705	0.197916862	0.081264914	0.136224423	0.066859573	0.180379925	0.0767241	0.175525952	0.160650871	0.074845143	0.425897046	0.249118456	0.190870772	0.279651516	0.072966185	0.29969373	0.178344388	0.308149039	0.193845788	0.189304974	0.166757483	0.155013998	0.128082273	0.384873139	0.124637518	0.151099503	0.17662201	0.244421062	0.182728622	0.128708592	0.101933447	0.127455954
hypoxanthine	43.11310649	6.810055155	3.682852654	2.494390692	5.337733128	7.188104173	3.638021299	8.339709588	0.836061652	5.949638008	3.137548199	2.595476775	6.99369128	9.709221249	10.38664888	6.868680773	2.783854677	6.203538659	1.644319242	6.791950185	11.15740332	7.189828455	3.788464979	1.625352131	3.349850526	4.166513996	4.614180933	3.919726011	2.692252151	2.494606228	5.575037557	6.888510026	3.050471915	4.116078722	5.050640032	10.82267691	4.934897545	3.604397783	2.260319294	3.279586	11.4712228	18.8716293	7.235306416	2.263983395	15.95371163	12.10963853	1.106989596	3.009304661	4.506413255	32.53980399	19.73937465	22.99546729	24.63741564	28.58279036	22.54435179	20.66940971	19.0136671	21.27247764
IMP	70.2910344	12.93792409	11.18883167	5.333207476	10.31726915	61.21259268	8.291832939	17.97167774	2.837758957	10.00121517	14.14203225	6.656988666	36.17347924	26.878476	80.75683699	14.99601813	6.677494743	18.96204531	5.470782638	15.29091505	71.73231866	14.58687307	10.32356202	6.613481064	11.70104961	13.53704873	13.08461306	22.28153433	7.993572593	9.385164884	12.3557251	17.9691823	12.78505074	10.36272972	31.52738809	54.20146732	23.54564175	16.61719169	5.935370053	20.7608297	13.9747287	94.29041379	16.66059079	6.394641079	28.20757358	25.92195973	5.131076146	8.507743485	8.94520646	131.2648235	31.90550279	34.02413858	36.1172774	42.20649728	20.77374094	20.60220598	21.87998412	21.04607032
5'-methylthioadenosine	1.654134169	2.181218163	1.482326555	1.080211222	0.780714012	0.633200461	0.941832239	0.869144402	0.876335445	1.076518525	0.575089062	1.296136855	1.698640893	1.10333917	1.372128685	1.102173055	1.556763564	0.919287348	0.863508179	1.801064663	1.139877441	1.506231913	1.27398067	0.554098992	1.08001687	1.784350348	1.019767593	0.997222703	1.296719913	1.079628165	1.316738221	1.260181642	0.751366784	1.875112967	1.303910955	0.900629508	2.057998675	1.68367575	1.210621753	1.637225501	0.58888809	1.780268945	1.542964536	1.337922644	0.647971251	1.395256633	1.393701813	0.730959771	1.749949954	2.419688686	1.314600343	1.381651957	1.125884061	1.619345071	0.68431517	0.608712045	0.723963081	0.800343615
NAD+	600.8165062	647.19326	732.1801634	755.1492373	667.1894386	648.0601931	535.7281924	597.1423492	553.3447489	622.9186469	575.0659663	726.4152814	572.0866619	653.028643	724.0039761	673.2879611	627.9445376	644.8998595	599.2576227	738.7224919	626.8056372	718.5354888	745.1536875	527.7369041	694.5312708	653.4134361	690.7382416	684.458327	788.9344788	580.1087869	713.4640082	641.967717	606.2933376	626.0827293	619.0154522	727.1787002	664.1000897	801.0729946	644.682189	718.5359725	628.3900365	720.9879096	714.6651865	681.696814	682.1115972	662.4253572	827.8789946	767.6871785	717.1598113	691.0514452	559.6885135	570.8940694	585.4159562	577.1027574	348.6886562	356.4124517	360.318065	351.3990166
NADH	144.8762982	104.7466835	172.2200756	105.2846956	120.8829487	125.8878078	108.1544838	145.2503893	92.79508705	103.5623544	113.2284239	97.49142342	93.26401817	119.9644057	125.9457656	103.0969358	103.7619867	137.3447141	72.26398305	91.43512827	102.3118714	123.4137717	118.3544674	88.54894798	117.2684909	73.48577985	135.6481319	154.8145937	134.3631084	74.97102111	144.7709204	182.1607128	133.8637348	132.1724215	130.9301345	134.4245788	198.7846429	125.7473041	165.1820108	198.3367874	155.4860843	108.4255389	126.679312	96.31587575	88.50855316	122.6890068	122.0415188	83.05876567	111.5599424	83.08159753	3.695832894	3.555329188	2.781973375	2.302504479	0.045136815	0.031613334	0.06673926	0.020490124
NADP+	26.22417968	35.84495953	35.72766754	39.12443703	38.4550557	34.53959399	28.07062917	32.10685381	31.56251058	36.66685009	30.21481663	40.38997156	28.03211032	33.88109106	39.36482002	39.41883106	34.68998679	36.48513427	32.9988402	42.6561918	34.94378788	38.57183976	35.2113457	32.72412888	34.12773865	40.9456588	37.77136738	39.00655244	40.31576987	35.67407978	35.93698148	30.82201754	32.42499407	30.76009109	32.91456436	31.97872575	32.86465917	42.57678372	32.85945278	33.1879635	30.68419627	35.64157157	34.44731807	31.6290085	38.36307609	36.7279723	40.13257255	39.01891233	43.48091836	39.39529647	36.17482476	35.29244692	36.25634926	35.09722834	11.66100877	12.27324676	12.24344756	11.63582337
NADPH	113.595042	94.12001866	116.7738993	88.14350861	83.28218302	98.91414889	85.93898403	95.32565842	71.22578544	74.86854908	94.70797803	96.4977005	93.40154523	98.96583762	96.2728545	87.23507908	94.37975456	116.4301692	71.22578544	100.03321	96.45118064	107.4699268	111.8363328	68.94243555	92.13775565	75.58573029	118.6734603	126.2897955	119.0818013	64.62901056	110.1189745	116.630463	109.8062577	113.7862903	98.95679209	129.701252	146.2726607	112.9941605	110.3632038	145.3538934	124.4677676	125.4046259	108.5928646	111.5817658	85.94286069	111.8389172	133.1695662	100.6263383	96.8349695	92.20882766	2.033951746	1.818151275	1.142321057	1.095801195	0.038766552	0.021967713	0.015506621	0
NaMN	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NMN	2.571378931	1.638964499	0.781838188	3.115769966	0.642844733	0.631261945	2.478716627	1.268315283	2.102276018	1.91695141	1.494179649	1.749000985	1.928534198	2.8899056	1.998030926	1.054033706	2.588753113	1.749000985	0.712341461	2.501882203	1.065616494	1.598424741	1.702669833	1.26252389	2.386054323	2.692998205	1.152487404	1.598424741	2.426594081	3.046273238	1.679504257	2.901488388	0.97295419	0.544391035	2.716163781	1.378351769	0.312735275	1.754792379	1.517345225	2.606127295	0.625470551	1.349394799	2.999942086	0.689175885	1.540510801	1.847454682	3.115769966	2.455551051	2.055944866	2.982567904	0.955580008	1.20460995	2.428505241	1.696878439	1.360977587	0.862917704	1.407308739	1.135113222
PRPP	0.128464555	0.045928177	0.14332614	0.175988044	0.289423085	0.20671878	0.260791442	0.088413841	0.056759503	0.067926683	0.385057809	0.055080227	0.087238348	0.192612868	0.07455982	0.130899504	0.116793592	0.270027456	0.02099094	0.056843466	0.103611281	0.124938077	0.07187298	0.278339869	0.24912048	0.027120295	0.227793684	0.469357425	0.323344445	0.030059027	0.161126458	0.136357148	0.359532826	0.045676286	0.029135425	0.792366015	0.289507049	0.129220229	0.214107591	0.234007003	0.16540861	0.082704305	0.263310355	0.062636966	0.079009899	0.326786959	0.326702995	0.209741476	0.105290557	0.057263285	0.297483606	0.045844214	0.022922107	0.031822266	0.119564396	0.029975063	0.01696068	0.012342673
S-adenosylhomocysteine	1.391501965	0.643453235	0.573505579	0.484184938	0.375258462	0.426345398	0.38275618	0.54449267	0.255807239	0.427183652	0.268939888	0.393094648	0.619283572	0.444181584	0.448512564	0.409813162	0.364081739	0.605638657	0.308710392	0.490425274	0.390207328	0.382104204	0.615418289	0.259206825	0.327757391	0.400312948	0.329201051	0.328642214	0.290781067	0.466302181	0.399381555	0.714332284	0.29897733	0.488702196	0.465836485	0.343591081	1.053732094	0.576020342	0.449350819	0.709395898	0.579373358	0.723925638	0.510869363	0.465417357	0.776549373	0.650345547	0.396168247	0.446370359	0.495780787	0.502021124	0.484697204	0.545144645	0.556693925	0.616815379	0.437149563	0.370228937	0.362870927	0.510031109
S-AMP	16.69706286	3.984467331	3.738453004	1.64621804	3.01729336	9.402905047	6.690439393	6.12846549	0.682012568	3.469989406	6.238856534	1.528220218	12.18865551	19.48708054	10.94745201	9.298265469	2.524337051	9.749662797	2.528789799	3.148649426	12.81166917	4.62529198	3.415999837	2.475356823	2.31431577	1.934719004	5.891542191	7.323286202	1.808001217	1.990934947	4.041425399	5.200253065	4.858133594	2.867013115	5.172237858	11.79254647	4.423619602	4.210073229	3.555519274	3.897824276	4.27853423	7.248517142	2.856808901	0.858267176	2.774804125	14.93804187	1.434526979	1.649743132	2.838441316	5.690797469	6.649437006	7.365401777	7.822736102	7.709191028	1.634715108	1.797611472	1.737870436	1.712452666
UDP	20.76712906	13.36445214	13.04066732	10.21126992	14.19978801	16.68578125	12.69291795	14.02782258	6.205239283	15.3598304	15.05197806	8.524139021	18.33011831	18.02713788	11.80254261	19.24314146	9.076772159	18.98611504	8.730471193	10.56836811	15.75998578	15.02761849	9.187246117	9.517877952	14.06561284	10.41299353	16.07284171	22.46663726	11.65124991	7.062959622	11.68416825	22.12533988	15.60158271	11.77225774	13.68784194	16.80112712	22.11309426	14.58506429	17.58023846	16.9812563	16.59782344	7.185679204	7.491688118	7.080998874	8.463042577	17.61236676	8.744560244	6.339546122	10.67528688	7.363569928	8.618548828	8.584840445	8.571541434	8.131357355	2.734329223	2.820970301	2.707599529	2.50297911
UDP-galactose	80.52627131	81.05710663	88.91652345	79.63721651	45.61152275	52.11401606	48.76602338	55.36100859	56.34934498	52.9221017	52.19377377	100.4431892	94.54497817	70.24809128	67.73556839	51.84857022	70.44000563	58.99681645	66.68719538	82.00893084	79.66234681	70.2799831	123.1304691	55.37306663	71.37134808	102.7124947	69.23084942	75.52167911	98.82991971	77.35844485	76.17588393	89.93331455	64.49209748	96.278828	83.0960417	85.8924919	177.0793633	119.4805747	77.55416256	137.2953374	92.65389491	114.9670376	103.7914918	94.82324271	119.7861107	62.77301028	113.9901395	96.82355261	85.08820961	95.77332019	28.79050571	28.97610931	31.78070151	36.27333427	13.55458515	12.7354557	12.74385125	12.51891816
UMP	12.293908	10.35056457	8.42379176	7.94540852	9.556756487	13.13401392	8.391982813	11.31315991	4.700646171	9.160893315	9.90465643	5.437914266	11.38293975	13.77319055	9.363487993	13.60348733	7.349115678	10.85892482	6.319738201	6.716850415	10.36039037	10.80255138	6.798287979	6.470039636	9.581404257	7.513739466	10.05803884	16.68429204	8.441694701	8.934733371	8.910002332	10.89572994	10.86408753	10.09084702	15.6990474	12.98179729	11.7862139	11.63682843	10.64875262	12.17175166	7.876294841	6.921859907	5.497368684	3.639543017	6.980065283	11.36811778	5.263464677	6.487776038	7.570112913	9.267728075	13.98994105	12.60133897	13.1351797	13.24701063	11.5190021	10.23956633	10.55524098	9.671168771
UTP	62.6306866	88.23529013	94.90023872	91.57346119	84.72784364	76.91635244	61.79163389	69.21099748	69.45873912	83.89923501	77.3787402	85.04225104	63.76536093	65.878591	81.26848059	62.078846	73.69157421	75.37347747	70.2951469	86.51907061	68.70161137	81.40452486	88.37886227	59.31211513	83.24254673	75.8088734	80.20291349	68.24980333	90.40413151	62.67314109	78.29680167	88.16163904	80.99808751	77.6285164	63.98082088	83.63474215	86.31561457	84.40631528	83.78224778	92.91993327	87.53140005	97.10095489	87.79711364	88.30772048	82.18315113	79.50492364	108.0931422	92.6230909	90.29209505	88.99750427	29.69942761	27.81589941	29.43961425	29.78562515	10.62433877	10.35665844	10.36032065	10.3739522
XMP	0.022840785	0.016178889	0.068903033	0.05900536	0.093266537	0.149416799	0.139519125	0.081465465	0.041874772	0.123530576	0.055579242	0.11820106	0.080133086	0.099167073	0.066047935	0.108113047	0.121056158	0.204996041	0.04434919	0.189007492	0.11724936	0.08774668	0.141422524	0.090982458	0.094218236	0.171115544	0.072900171	0.155507675	0.163692289	0.092124498	0.163692289	0.049298027	0.113632903	0.140661165	0.103925569	0.153984956	0.110587465	0.140280485	0.092314837	0.082417164	0.110587465	0.30968297	0.094027896	0.13209587	0.154175295	0.134570289	0.127337374	0.077658667	0.121056158	0.229169205	0.16197923	0.221936289	0.14770374	0.104877269	0.087175661	0.083178524	0.062812157	0.08888872
ZMP	1.041251495	0.266789558	0.262056596	0.248106815	0.334545636	0.196542447	0.215225189	0.504184934	0.231666002	0.321343165	0.359705062	0.529842567	0.58489438	0.577421283	0.515145476	0.347748107	0.325577919	0.231416899	0.391341172	0.154194898	0.378138701	0.089926265	0.511408928	0.044091271	0.281735751	0.12654444	0.399810682	0.319599442	0.254085293	0.328068952	0.264298525	0.301913113	0.255330809	0.472299721	0.376644081	0.42746114	1.232064568	0.52236947	0.299422081	0.763252292	0.699481865	0.42048625	0.539557593	0.563969709	0.55325827	0.47528896	0.496960941	0.354473894	0.3086389	0.04010562	0.402271821	0.402909526	0.545037864	0.660870865	0.218463531	0.24461937	0.322339578	0.325827023
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