#METABOLOMICS WORKBENCH efahy_20230425_000036 DATATRACK_ID:3931 STUDY_ID:ST002615 ANALYSIS_ID:AN004287 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 Liver 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           	-	80010816802_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a015.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_1	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a016.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a017.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a018.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a019.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a020.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a021.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a022.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a023.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a024.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a025.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a026.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a027.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a028.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a029.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a030.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a031.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a032.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a033.zip
SUBJECT_SAMPLE_FACTORS           	-	80010816802_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a034.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_2	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a035.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a036.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a037.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a038.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a039.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a040.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a041.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a042.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a043.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a044.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a045.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a046.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a047.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a048.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a049.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a050.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a051.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016811	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a052.zip
SUBJECT_SAMPLE_FACTORS           	-	80010816802_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a053.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_3	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a054.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a055.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a056.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016811	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a057.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016811	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a058.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a059.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a060.zip
SUBJECT_SAMPLE_FACTORS           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a061.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a062.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a063.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016811	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a064.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a065.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a066.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016811	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a067.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016811	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a068.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016811	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=Motrpac_PASS1B_Liver_090220_a069.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016811	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=Motrpac_PASS1B_Liver_090220_a070.zip
SUBJECT_SAMPLE_FACTORS           	-	80010816802_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a071.zip
SUBJECT_SAMPLE_FACTORS           	-	80011826802_4	Group:QC-ExternalStandard | Timepoint:0 hour | Sex:-	raw_file=Motrpac_PASS1B_Liver_090220_a072.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Liver
#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
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	90217016811	90218016811	90222016811	90223016811	90225016811	90227016811	90229016811	90232016811	90237016811	90239016811	90245016811	90248016811	90251016811	90252016811	90254016811	90258016811	90259016811	90265016811	90266016811	90267016811	90280016811	90281016811	90283016811	90289016811	90292016811	90406016811	90410016811	90412016811	90416016811	90420016811	90421016811	90422016811	90423016811	90426016811	90430016811	90439016811	90441016811	90444016811	90449016811	90450016811	90559016811	90560016811	90564016811	90567016811	90571016811	90576016811	90578016811	90581016811	90585016811	90587016811	80010816802_1	80010816802_2	80010816802_3	80010816802_4	80011826802_1	80011826802_2	80011826802_3	80011826802_4
adenine	25.92643313	21.98241626	23.48881159	23.50524499	26.02503355	27.50403988	26.2222344	29.78828298	23.79556846	24.48577141	23.58741201	18.35611186	23.24231054	30.36345211	22.66166361	33.07496371	29.8649722	17.50705267	29.89783901	25.96477774	27.92035277	28.18876503	21.30316891	22.67809701	21.63183698	27.24110542	24.67201665	25.83878831	32.28068253	26.58924708	24.41456	26.50708006	20.05970803	26.46325765	31.2125113	28.5119553	24.92947331	22.97389828	25.37317521	19.27638246	24.00920271	22.04814987	24.14614774	20.88685602	22.32203993	25.93738873	22.40968475	24.35430418	27.46021747	21.45106954	26.72071431	24.74322807	26.63854729	25.07737394	24.65010545	29.82662759	28.92279039	27.07129358
ADP	1113.342459	1192.975225	1788.191262	1380.328073	1310.63416	1059.884858	1154.151267	1432.050454	1538.834041	1100.982928	839.8267007	1057.495838	873.1999977	696.448362	910.1606946	961.2375419	1001.605774	839.7504866	746.9364843	1017.655008	1206.023849	1480.531682	1250.431607	1114.718242	1270.197746	923.0161457	1076.233731	957.0256549	730.1867247	670.4690688	1129.031377	836.8719954	1426.766761	1371.406034	1344.396267	1133.957977	1040.03242	1137.259046	1154.816031	1061.746828	947.0807049	711.1054569	902.8515817	791.4351711	937.5229229	1085.810977	834.3780339	881.912682	1005.204664	934.6235021	1140.745433	1260.458223	1345.94271	1484.863342	954.226485	982.8375114	1069.094576	1317.767688
ADP-ribose	16.28998599	24.05678772	26.05555386	28.59112235	9.172023519	7.01453205	27.82095418	29.52595662	15.83734463	19.94759932	18.90567877	32.44181087	14.79671886	24.67074397	20.52073178	12.87784853	18.70818608	10.14775774	6.175816476	18.34503717	29.19746222	20.16238118	15.35370461	11.75603217	8.78000853	26.31824275	21.41177187	22.41789544	16.94484219	21.35320193	11.25891116	13.48563551	17.71348708	35.55051182	13.88176334	14.34263039	8.734234097	16.27848525	11.40461248	24.49800451	13.13398733	20.11660675	39.96884901	22.28468499	15.42796429	14.73746344	21.13232696	28.07526505	20.80520351	21.29128077	51.90851206	55.24326712	56.73478248	58.43293017	92.15733914	101.1836613	108.3572234	103.7047587
AICAR	0.105968736	0.039189621	0.050476232	0.0683467	0.057373606	0.04859513	0.072735937	0	0.040130172	0.037935553	0.057373606	0.108476872	0.124779754	0.082454963	0.008464958	0.095309159	0.070854835	0.016302882	0.043578859	0.06207636	0.022886739	0	0.032605765	0.03730852	0.037622036	0.026335426	0.081514412	0.065525047	0.034486867	0.060822292	0.017243433	0.050162715	0.085590133	0.035740935	0.003762204	0.083395514	0.070541318	0.082454963	0.064898013	0.000627034	0.088098269	0.085276616	0.080887378	0.133244713	0.112239076	0.200964378	0.046714029	0.011913645	0.13763395	0.104087634	0.060195258	0.054551953	0.096563227	0.097190261	0.143277256	0.126347339	0.097190261	0.122898653
AMP	1278.347951	824.991073	2879.785474	957.0669858	915.0117725	1120.945646	923.0226187	1863.190725	3249.197409	657.5478151	1156.182267	1190.092952	1048.63964	1753.035619	764.0199853	649.8470139	689.7595853	855.4823915	1358.242557	793.8023344	936.8235025	832.372121	864.0421353	736.2393992	653.0600004	693.6398076	1177.954606	804.1175125	517.4249576	675.0297938	677.7326593	655.6465921	1276.806541	1124.800538	1376.040551	816.4036556	785.867758	681.1302669	692.990649	757.5518323	1257.54709	831.2969224	1883.912973	943.9799255	1198.552881	1655.71321	1235.100652	1399.284614	1278.970217	1601.835275	2398.605327	2258.119588	2309.773143	2384.832563	2438.158532	2764.714448	2611.295695	2445.488919
ATP	1576.324384	2321.139897	3503.724009	3177.771967	2947.740414	1787.444782	2302.852357	2989.365793	4080.569372	2989.153254	1163.813483	1531.129748	1256.156116	500.2727651	2133.768945	1613.767793	1946.218957	1260.483842	641.766747	2035.17168	2329.521697	3277.151632	2282.967047	2632.468447	3233.299683	1791.463094	1520.387278	1944.959761	1338.068176	1068.260241	2579.735167	1634.705298	3385.593347	2734.68314	3682.501374	1955.267314	1821.391036	2706.920701	2655.116906	2002.591335	1237.68533	1265.652819	755.4379753	1020.03532	1646.969005	1247.640305	839.9264354	1159.689433	1679.196949	811.2251609	1284.760959	1465.520846	1601.996481	1793.958972	654.0117969	664.9842678	719.2330668	856.3525694
CDP	2.869095867	6.245509839	8.212713769	5.792665085	6.794165437	4.563185975	6.637095419	8.125431896	10.14449446	7.080975415	4.877014736	7.942837221	5.011735116	2.376096471	6.311500414	4.478892354	4.974755492	5.651034371	4.1894054	5.976318099	5.366652348	7.433464692	6.48606416	5.570849598	5.961127816	9.269434535	8.008205243	5.087375256	4.982475145	4.966351033	5.417141363	4.133313412	7.514521039	6.007507984	8.902190763	5.373562682	4.860330326	7.426429848	5.607766966	6.170429997	5.789863599	5.117071015	3.998842052	5.359368483	7.479160052	6.199814479	4.505039563	5.420689913	7.058439012	4.435064652	5.076231565	5.616669468	5.794408233	6.411046573	2.660042707	3.048391013	3.482061147	3.409658281
CMP	12.79881546	12.86861341	16.27349402	16.38025265	18.15713911	13.34505379	19.22757431	19.86437755	22.99059115	11.36019792	12.11298122	12.77594932	11.51928628	12.49810698	10.30753083	11.69314391	15.37541703	9.417250815	13.96603816	15.56216966	15.86790119	19.21370469	11.6188477	13.86940061	12.13479777	10.2363834	15.0534168	10.95430521	8.120553286	9.08497957	13.11504292	10.61948495	19.32166286	20.32544889	9.760092964	14.26974547	11.74727293	12.44255351	13.33898114	12.11373093	10.46452	11.1135435	19.81587135	11.83633842	11.47078007	16.13982082	12.39907036	13.8418113	12.59257038	13.89511564	20.66131874	23.06173858	22.48243806	23.28770102	30.49863178	30.44607715	32.57405255	33.87569817
CTP	6.212082355	16.05333756	16.77908568	28.92817727	37.67660322	13.25451323	16.65543821	20.79850736	37.74256199	34.60956388	9.339605515	13.9252525	10.71329981	4.81591194	27.2444278	16.17805121	20.94422753	13.77642025	7.467921103	22.88201478	19.37775729	33.44475341	19.15080611	27.47832351	38.11704871	26.76309306	14.11935396	19.92064201	15.78947368	11.98521763	27.50180817	18.19989338	33.43195931	31.51189361	49.14397683	16.91786131	16.17995303	37.27721988	27.49486363	22.81873586	10.75456366	14.50623136	7.692394139	10.97511778	18.273373	8.674312389	6.893310473	9.843906234	16.42416471	7.290561471	6.697912314	6.839396603	7.263618943	7.111789877	1.533620528	1.390868356	1.613958246	1.558344259
dATP	0.206859533	0.231365799	0.318396357	0.341495919	0.378625502	0.279711996	0.267680974	0.280489385	0.314509412	0.275158717	0.109426768	0.107723916	0.143446795	0.063745905	0.280452366	0.180132156	0.150036093	0.183278731	0.065707887	0.202787495	0.280341311	0.360301331	0.27482555	0.353119736	0.333277806	0.168064116	0.102393248	0.240805523	0.101726914	0.223406815	0.315286801	0.158032095	0.337757047	0.368926648	0.402428415	0.19638329	0.167175671	0.283784034	0.364299332	0.17650434	0.114757436	0.204971588	0.108205157	0.096988543	0.166842505	0.09906158	0.181872027	0.084291188	0.119717919	0.094656376	0.262868566	0.199418809	0.191644918	0.258500379	0.160475318	0.111832972	0.102541322	0.07140874
dCTP	0.414663026	0.926870132	0.931320429	1.344312077	1.477458538	0.813639256	0.760739112	0.898376145	1.427297038	1.367751653	0.537177102	0.744911357	0.572698934	0.369817719	0.82767481	0.536834771	0.646743027	0.587076819	0.439391376	0.707416089	0.890180348	1.357723381	1.016218415	1.162010971	1.335733675	0.902766031	0.706489782	0.68059348	0.546963729	0.556871179	1.097995151	0.852342749	1.236981369	1.36569767	1.638756655	0.778459754	0.855020983	1.372322773	1.060600569	1.071796793	0.65538184	0.642776019	0.538908892	0.626827441	0.833232648	0.648213034	0.481397353	0.680935811	0.591104238	0.656308146	0.900228757	0.924916834	0.88649526	0.923829431	0.287316048	0.250344344	0.240618128	0.205015747
dTTP	0.035525435	0.107282259	0.146451328	0.168176498	0.204043523	0.148295918	0.08061541	0.135543198	0.22415183	0.194160165	0.125204385	0.157177276	0.162506092	0.051648517	0.243235365	0.155378232	0.150732598	0.133197608	0.08833536	0.174347903	0.18648576	0.19495721	0.102226716	0.181316354	0.13631747	0.170112178	0.116482435	0.152167279	0.121150842	0.146770146	0.149115735	0.133561971	0.178811355	0.228478646	0.196369118	0.126570748	0.108853576	0.248473089	0.12356475	0.128483656	0.146018646	0.170066633	0.084964998	0.139186832	0.21408629	0.129326246	0.102203943	0.125842021	0.15863473	0.139164059	0.127572747	0.102112852	0.104094079	0.130054973	0.080957001	0.050783154	0.058161513	0.063490328
GDP	148.2670172	123.1442324	182.0953718	108.4955483	132.0551245	90.28324283	138.1035561	156.4198507	152.9903529	107.815839	81.20931857	98.37253868	90.57345232	74.21476932	75.50339752	68.34867633	72.35389418	83.56807512	77.17161688	96.16547559	141.3117959	144.4535358	129.3359811	108.7835105	119.4757025	101.2050691	118.7884341	90.45230186	59.19497256	70.32794387	118.1537732	82.40172103	154.5800186	105.1179429	145.6001749	119.7775571	107.7936724	106.1178939	130.8777381	94.74364318	94.42115414	77.20072976	95.97557787	79.16375538	98.9075007	117.605736	87.92632499	96.33770129	91.7396021	98.7214847	85.12270315	92.95468196	93.79384809	110.2206654	60.94123488	73.63731271	82.73330146	89.54612502
GDP-mannose	26.11955265	33.14408235	48.71663038	32.3972885	41.46310335	30.82894847	33.88285401	35.83407174	38.76655034	34.50348054	40.35093477	45.20181302	49.26760964	36.78652562	54.5327251	50.35753485	49.32595291	50.59273116	31.4856749	59.29681774	33.58676191	45.83192033	39.07613432	29.46043415	31.71540153	57.50057432	53.80452817	56.10106513	38.56708929	40.90519583	27.94679094	26.74601351	42.89397205	35.04096791	33.51310353	32.8764326	26.48018699	38.12842083	33.29468092	32.0176926	52.51222474	36.22023126	38.9620003	34.25807416	51.26404341	43.48396836	38.61485784	34.17019461	45.93402105	30.15544835	33.66516068	35.25793195	35.9412775	38.37346256	32.92529509	37.3834502	40.33817218	41.80149432
GMP	246.2200702	194.2118581	308.5151469	291.2200304	285.1367481	245.8876095	274.7283737	345.772227	361.7305779	188.9029116	196.856504	219.1837287	193.3463304	257.4790123	175.1620527	178.2183355	159.5790529	163.042039	185.3673539	175.9492795	261.0281772	277.2080624	212.5563982	229.8060779	264.4086449	141.7648744	202.6468739	193.9959735	117.4611081	125.6211158	243.144053	157.6683192	318.7085916	279.0376306	343.7826353	222.9428897	198.8574748	163.9919948	233.9257892	165.311652	191.40321	132.5548862	258.4042206	134.8307061	221.8107887	266.6239884	200.9020522	236.9220731	201.9693003	247.8147355	347.0816192	349.1004146	332.5595811	329.3108086	375.6045644	375.8319872	376.2550828	386.1157485
GTP	176.777579	196.3833329	289.5712162	238.7610935	280.5288363	161.2327645	231.4444415	248.4635173	358.4466045	262.6215718	91.62060156	125.8048264	121.1807799	46.99664415	189.9281651	151.2585788	176.0380449	125.6405943	69.67215887	191.8637007	249.8296259	303.7408426	234.4453939	231.9061607	291.344745	172.4642829	147.6721767	185.6223462	119.6434071	104.3783659	248.709999	156.1822487	338.8243829	237.8721927	352.3892435	210.9565519	190.9916237	273.6307314	261.4724811	192.6173881	113.6514719	136.5272697	72.91807977	103.2954131	158.8045326	116.3798613	83.20684345	114.1457705	144.6542224	78.93645241	59.52617477	61.53505844	60.27211793	64.96648597	21.54075538	21.94568323	21.99864698	21.66137029
guanosine	5.499813541	3.315284978	4.300235434	1.834018082	1.921565678	2.29400307	5.191716429	5.127056048	4.459805731	1.803288397	2.870664834	4.414991605	2.261032677	4.798632529	1.625632399	2.132672218	2.128510907	1.978863738	2.888430433	2.850818578	2.79063961	2.573931303	2.53343854	1.526241071	1.140359441	2.649795215	3.274952265	2.418842419	1.385876828	1.868268878	1.590741402	1.570895146	2.386672279	2.644993702	2.784877793	2.910037244	2.797201678	2.155879533	2.780396381	2.344739062	3.362019709	2.202774314	6.643534042	2.685006314	2.786478298	4.125620396	4.065601478	4.118418125	3.730935991	5.480447437	8.528288116	10.19201252	11.37830644	12.00826501	13.17007121	15.44278757	18.12363257	18.44773473
guanine	0.455440215	0.939378427	0.44435766	0.305034118	0.227456237	0.295007045	0.429580921	0.541989688	0.441191216	0.270730974	0.415859663	0.427469958	0.298173489	0.944655834	0.164655095	0.185236982	0.257537456	0.200013721	0.251204568	0.2295672	0.376806852	0.232205903	0.346725633	0.054885032	0.219012386	0.544628391	0.841746399	0.239066532	0.306617341	0.230094941	0.20634661	0.13774032	0.189458907	0.433275106	0.214790461	0.274425158	0.20634661	0.271786455	0.508742025	0.202124684	0.34461467	0.181015056	1.316185279	0.364141076	0.438024772	0.743586631	0.517713616	0.364141076	0.402138405	0.681840971	1.03384401	0.809026477	0.791083293	0.772084628	0.825386438	0.908241726	1.380041903	0.848607028
hypoxanthine	40.55937844	136.9362554	13.96870151	11.60476741	13.73947154	9.885542609	49.29877118	15.12917825	14.67071831	6.776611093	2.335280355	8.753719614	14.88562141	28.92595729	14.84264079	14.01168213	19.36993276	9.126218321	4.06883203	12.60764854	15.17215887	7.27805166	4.326715751	6.117574919	2.435568469	9.713620129	18.52464724	6.117574919	8.939968968	17.80830357	2.937009036	6.661996106	5.100366911	11.57611366	1.618936688	6.704976726	13.25235785	13.03745474	5.558826858	7.980068454	7.464301013	17.72234233	35.745549	6.475746752	8.280932794	12.89418601	10.71650126	13.008801	5.515846238	15.50167696	36.20400895	33.46757614	28.8113423	26.21802063	55.21576988	59.29892878	67.63716907	74.32781892
IMP	725.0344505	347.5146129	656.3860929	677.0790835	913.2802981	583.6182486	654.9244323	821.019353	784.7406712	555.9491696	269.3220453	350.2792755	465.074759	385.2259051	333.0675188	470.1417287	450.2958756	297.9233905	263.7645211	451.1888762	1036.782857	833.4204839	781.0137345	586.5891357	568.6010047	326.1165434	455.9000078	362.7451043	214.7379152	283.224741	808.1544831	553.8293573	836.7605105	504.0139271	1275.333518	602.5387522	731.6675765	750.4080327	461.4801975	381.2889132	321.0337184	283.4646976	380.4400731	198.2701838	509.1745384	522.0170619	461.4246509	544.2759959	263.1190323	383.0585271	233.2660816	236.8797971	230.0614098	233.5587117	424.4521699	424.6476468	420.3312998	418.090179
5'-methylthioadenosine	0.962911335	2.324385408	1.321550132	1.739059825	1.901462299	0.763291627	1.492749406	1.316813393	1.923792639	1.97048335	1.826351155	2.101082006	1.741089856	1.318166747	1.858154973	1.561093781	1.870335158	2.013114	1.360797396	2.758135349	1.967776642	2.14506601	1.405458076	1.335760348	2.117998931	4.31922913	1.873718543	1.301926499	2.819036277	1.531319994	1.227492032	1.862215034	1.785073859	2.74663184	1.603047753	2.645130294	1.790487275	2.201906876	1.860185003	1.393277891	1.950859718	1.755976749	1.598311014	1.609814523	2.425886954	2.519945054	1.649061787	1.979280151	2.81159283	1.669362097	2.929334624	3.33940087	3.829315	4.089835635	2.166719673	2.128149085	3.213538953	2.80482606
NAD+	676.6094283	623.9739199	825.9322448	749.7169928	773.9167999	721.4704634	651.562033	834.906854	881.5386799	757.9865068	648.3083038	779.6174797	769.3785854	761.2061141	694.489038	800.7555957	737.1694098	804.3495886	708.9557739	841.9994349	678.928217	780.2222565	789.5899501	708.0462202	754.093333	778.6313564	876.1882274	781.7899537	595.9520492	675.1337238	632.944298	530.4663647	998.9781169	794.3732965	874.2763083	714.9410305	642.1768689	795.1312124	678.0283539	652.6901034	837.8537589	705.7543195	772.3250808	575.4996472	825.4311986	891.3223879	628.5192318	681.797324	707.1961751	726.2674585	920.4787441	898.2114658	922.4904356	955.0745427	758.2774985	808.8575028	844.0784149	840.6854683
NADH	31.3310062	37.98290652	9.140003757	40.06793563	54.75471166	47.38823493	38.27171123	27.20321207	0.428902386	20.50748231	36.71185273	34.05469288	73.81034375	93.99771461	40.6369357	65.83260284	68.22600338	85.15355958	63.79922985	37.1039697	15.1360278	29.05344061	49.05531902	35.23887045	32.78833511	63.73896437	66.60666208	45.69532277	58.95842464	57.23185774	29.1035314	35.7483877	49.50378812	41.86102937	11.85038507	51.9981529	42.3087158	44.48062113	29.076138	42.73761818	91.3569908	57.77033373	90.08358901	44.01336798	49.51396281	68.3277503	64.95523136	56.15099242	37.60331225	55.46302674	60.14573289	52.25095486	43.37079707	31.60415754	38.40163421	38.92602217	31.61433223	21.46468599
NADP+	206.3067087	190.274289	236.8654334	175.0075275	195.6130256	170.8393656	187.8169894	227.1468168	287.272536	188.902019	157.6224298	196.2966858	144.4184454	169.3817154	137.8225989	146.0333271	153.3878612	130.8111118	147.5547856	177.1029718	177.4714678	182.2611726	190.9039164	144.432098	163.9498443	143.8662377	170.2597703	160.3655674	116.222071	123.6451979	140.7429726	123.1382788	172.3130607	191.363237	232.1008476	174.7389717	178.0170348	201.0721194	187.5641898	172.5931242	144.3491926	138.5091877	159.9943905	115.2564087	149.3035534	169.4302213	121.9644455	133.0540947	153.5547031	162.4293757	249.9064943	271.1659139	287.8819939	289.0631277	256.9348924	300.2339087	320.7071295	310.2612964
NADPH	99.90033898	142.5454212	211.9540773	261.6101812	209.170781	137.1938866	212.2032298	206.1947193	73.80029767	220.2639706	170.2184019	157.6755378	310.8741976	274.1786162	245.5595114	229.4898274	229.8425749	282.9278048	251.9463404	249.1951717	182.4714622	289.7552404	295.7893218	217.3121685	242.6542615	336.3821738	337.1191408	249.6856088	229.9822315	222.8446665	225.2280074	207.0156114	322.4689707	234.7397339	178.3545441	249.4849754	192.3792102	290.0797944	177.6700302	269.1798291	286.6316542	209.6008969	253.4307651	183.1009002	286.5962483	263.7351902	229.3685294	230.8306615	235.3757286	191.6422432	219.3388278	188.8025597	177.8949232	148.5139362	102.3426897	94.5376581	74.0369926	64.64263
NaMN	0.127219454	0.421059661	0.112694398	0.161946024	0.277979515	0.154933928	0.14858965	0.183149266	0.176971943	0.138739325	0.053926356	0.145250557	0.021370197	0.215705425	0.089654654	0.184818812	0.07446178	0.114864808	0.106517075	0.0769661	0.158773885	0.232901756	0.020702378	0.059936724	0.063275817	0.131560275	0.006177323	0.047582079	0.043909076	0.075296553	0.096833705	0.150760061	0.15359829	0.160777341	0.116033491	0.195503911	0.128054227	0.212533287	0.130558547	0.217708881	0.173465895	0.100005843	0.114697854	0.095831977	0.105348393	0.156770429	0.070788777	0.146586195	0.075463508	0.070788777	0.313874767	0.382159225	0.152095698	0.192999591	0.259614502	0.220714065	0.36479594	0.15142788
NMN	9.769858209	19.85407257	9.918763753	8.826789762	6.957197929	3.519961615	12.42120415	10.73774425	7.916811436	6.460846114	3.284194504	6.754520938	4.239671746	7.308780464	3.974950778	5.327509472	6.804156119	3.428963783	4.686388379	8.988104102	4.723614765	4.938700551	6.030674542	6.589070333	4.281034397	7.519729985	6.29539551	6.787611059	4.173491504	4.03285849	6.229215268	3.945996923	7.581773961	8.466934697	8.06571698	4.872520309	4.103174997	7.139193594	7.312916729	7.329461789	5.910722854	3.937724392	6.994424315	3.648185834	4.123856323	2.978110885	6.589070333	3.904634271	4.020449695	7.230191426	10.00148906	9.459638325	7.18469251	8.789563376	11.03555533	10.52265846	10.91560365	15.01464238
PRPP	0.688882366	0.958205823	1.287503933	1.104539055	1.446334814	1.164250044	1.153791393	1.179419483	1.446914874	1.002255202	0.76386826	0.666242461	0.733722735	0.477863693	0.988650166	0.742265432	0.456419063	0.37818132	0.307080068	0.797740228	0.707690361	1.166078111	1.465301007	1.075237253	1.079139473	0.510891938	0.362976726	1.006913256	0.56640189	0.481818645	0.895471492	0.806810252	1.542501674	1.380313478	0.88956543	1.360134433	0.578424945	1.268590473	1.282670102	0.889108413	0.439720376	0.396708074	0.656750576	0.744409895	1.116087515	0.391118408	0.495423681	0.804454858	0.4441675	0.362713062	0.497427523	0.446452584	0.413529804	0.33991496	0.574610613	0.543076461	0.565452701	0.510944671
S-adenosylhomocysteine	15.97003097	15.16231763	21.14208678	9.167926586	11.61855577	18.44873418	12.9052823	14.80963758	9.912180914	8.313715628	13.19040921	15.0199004	22.40688048	28.05327048	11.63259278	25.67458101	12.50201051	15.90598708	21.19150877	20.84906405	14.02999827	11.62031039	14.88596386	7.820080537	8.654990598	16.27562852	34.88052452	12.69794387	10.61169225	16.43763909	9.289580732	7.813939343	11.78787728	11.97708457	10.05255108	14.78331818	11.43782918	10.19730782	11.0678953	12.8032215	17.08334186	12.10838916	20.91749451	21.1005606	15.87177185	27.78013353	23.39765991	17.54597854	26.21208178	27.59619012	30.19303822	31.7953052	34.08129187	32.7509921	18.1174021	19.30206783	21.68134217	21.82463672
S-AMP	65.41361212	32.2669514	50.79768811	17.19693589	22.82611929	32.21595376	29.78209133	34.46888081	25.50732029	12.11905824	36.18962623	34.04889399	32.41420709	47.20012324	14.88313041	30.28367438	26.6389367	32.13329509	47.84120609	22.97826226	23.97377871	22.24952721	39.40693993	17.76683453	12.65973949	17.75769746	39.13771488	21.2833344	13.57472217	22.10120907	17.35300992	16.86290134	23.79454325	18.52680564	11.07806889	31.20896284	31.81115998	23.00694843	23.80569899	18.4583838	43.68447334	27.6248911	67.16240624	30.94823739	36.62501859	49.85401925	40.89904592	42.66834534	35.32765985	55.89086505	44.02764497	46.80521026	52.09270946	56.06308833	75.25998173	88.32079641	92.20256688	103.989078
UDP	60.30068267	67.49804403	93.63728874	57.7890619	57.45882233	69.1009179	56.39349544	66.63884841	77.28311728	53.38493007	46.90813326	69.28766843	68.69039401	26.98913349	51.46250415	62.12569354	56.81480913	77.62782849	45.95407941	72.65055867	63.8770167	65.44358365	93.22829894	58.79000793	51.13702028	83.34806065	98.05988085	70.62780292	59.61228299	63.43586203	53.93163049	49.15788397	72.3547851	66.41451254	65.31824806	77.79519828	74.90071847	75.51573726	64.98596303	73.08527013	86.66891667	66.11740942	43.77469254	61.82516428	75.06675871	76.63025747	59.37526527	66.33310322	66.50921736	48.94888906	28.32374524	32.1487561	35.67737977	35.65968653	13.88443149	16.54956406	18.81792846	19.48940196
UDP-galactose	544.6512095	558.0065425	633.950472	620.79591	610.5847131	455.4672061	534.3556487	765.2409921	713.0665634	635.4571628	413.2099439	454.6014711	438.0509245	496.8890547	498.1917224	413.1978919	464.7199824	415.5876304	414.113174	567.3743866	536.4941127	706.981262	605.2213837	479.0872048	607.0829388	551.8323816	566.3171588	453.1728314	370.6273733	360.2619874	501.7858953	439.5114159	646.7338135	599.8944972	723.4069844	586.2089778	516.4501133	688.4179364	569.2700891	602.3595129	481.7289831	353.5932164	466.5456685	406.5192688	496.6762317	635.3172257	471.7411308	416.285594	545.9940505	467.9360479	543.7028322	580.5224445	622.6838647	608.8006351	564.5675151	649.5747367	666.0858753	668.1514534
UMP	264.8046184	198.484065	328.0732075	190.5130066	160.1661883	236.5828006	189.5117922	345.028938	208.2800585	107.7537043	222.9321644	228.281189	180.4561153	258.4108356	106.667627	150.8557404	136.8935877	195.4087605	238.3241128	162.7530661	198.2390676	159.6968713	224.6169864	141.7915662	120.1016021	164.9912293	231.6761789	143.8228054	104.7747869	157.8903164	143.4823692	127.4359517	146.4679968	209.9642606	122.8511307	244.9291594	182.4145992	116.3027931	161.9600521	175.7742873	216.229892	200.6393345	297.2096992	187.0664863	201.7870806	282.1186184	230.1675741	242.4070866	203.4336104	286.052216	629.6268148	514.7954283	549.6784546	505.5265183	453.8158399	466.3892607	457.3714384	491.3092299
UTP	64.46402532	114.7844052	137.327291	159.6411923	219.167291	141.5192403	79.9571617	102.1022844	170.3623318	137.4115959	54.86571353	82.1907254	91.03468214	23.72575046	142.030852	144.9962543	161.6765392	128.9261092	45.28960169	157.9509364	157.6801477	191.3670483	173.6527143	153.6315484	179.7086362	149.3552308	116.5674281	156.2023951	120.1660142	96.49871802	173.6345661	113.3010604	209.6988446	185.877436	220.1799631	160.628689	150.890087	227.0357584	184.9363651	165.5298549	108.5095648	128.9167396	38.47613822	83.10761277	124.6700923	71.07078871	53.0391559	73.42590346	104.663846	44.3822316	21.43571617	21.86300185	23.57864416	22.57627011	3.09672382	3.495858613	3.41972039	3.313827486
XMP	0.842888576	1.025952905	1.032991212	0.436853398	0.434530073	0.578576212	0.218392533	0.856418526	0.9453882	0.57898621	0.488034877	0.739158956	0.440816717	0.569487912	0.416558473	0.918328299	0.577346216	0.484891555	0.509491465	0.471839937	0.743327274	0.581651201	0.481679901	0.490836534	0.215932542	0.564841262	0.630782687	0.472181602	0.414713479	0.490016537	0.279892307	0.221945853	0.941288215	0.369203646	0.577277883	0.407948504	0.54816799	0.596684479	0.476691585	0.436511733	0.348088724	0.449016687	1.283568627	0.281122303	0.854368534	0.483456561	0.442593377	0.48277323	0.234929139	0.91901163	0.313307185	0.494663186	0.346175397	0.378496946	0.544751336	0.559374616	0.751185579	0.571469571
ZMP	0.347716771	0.74224157	0.919443386	0.165499809	0.260787578	0.971266558	0.610176065	0.312610751	0.177201816	0.237383565	0.71047898	1.066554327	1.48782657	1.141781514	0.458049978	1.564725471	0.982968565	0.730539563	0.6469538	1.330685336	0.891024226	0.349388487	1.407584238	0.623549787	0.222338128	1.034791738	1.541321457	1.486154854	0.448019686	1.524604305	0.417928812	0.224009843	0.750600146	0.412913666	0.138752365	1.427644821	0.568383184	0.770660729	0.33768648	0.177201816	1.156826951	1.345730774	1.337372197	0.71047898	1.710164697	1.897396805	1.250443005	1.511230583	1.136766368	1.046493744	0.568383184	0.854246491	0.483125706	0.432368419	0.782362735	0.555009462	0.558352892	0.884337366
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