#METABOLOMICS WORKBENCH efahy_20230425_000031 DATATRACK_ID:3926 STUDY_ID:ST002611 ANALYSIS_ID:AN004283 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 Lung Powder
ST:STUDY_TITLE                   	- Targeted Tricarboxylic Acid Cycle
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                     	Mayo Clinic
ST:DEPARTMENT                    	Internal Medicine
ST:LABORATORY                    	Mayo Clinic Metabolomics Resource Core (MCMRC)
ST:LAST_NAME                     	Nair
ST:FIRST_NAME                    	K. Sreekumaran
ST:ADDRESS                       	200 1st St SW, Rochester, MN 55902
ST:EMAIL                         	nair@mayo.edu
ST:PHONE                         	(507) 284-2511
#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           	BC49E4EF-E2FE-4269-BAF0-461F768BD95D	90217016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_23.D.zip
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_24.D.zip
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_25.D.zip
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_26.D.zip
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_27.D.zip
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_29.D.zip
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_30.D.zip
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_31.D.zip
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_32.D.zip
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_33.D.zip
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_34.D.zip
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_35.D.zip
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_36.D.zip
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_37.D.zip
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_39.D.zip
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_40.D.zip
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_41.D.zip
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016611	Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_43.D.zip
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016611	Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_44.D.zip
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016611	Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_45.D.zip
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016611	Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_46.D.zip
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016611	Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_47.D.zip
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=23dec20_66.D.zip
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_67.D.zip
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=23dec20_68.D.zip
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016611	Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_22.D.zip
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016611	Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_23.D.zip
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016611	Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_26.D.zip
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_27.D.zip
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_28.D.zip
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_29.D.zip
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_30.D.zip
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_31.D.zip
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016611	Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_32.D.zip
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016611	Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_33.D.zip
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016611	Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_34.D.zip
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016611	Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_35.D.zip
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016611	Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder	raw_file=30dec20_36.D.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_38.D.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_39.D.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_40.D.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_41.D.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016611	Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_42.D.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016611	Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_43.D.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016611	Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_44.D.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016611	Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_45.D.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016611	Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_46.D.zip
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016611	Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_64.D.zip
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016611	Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_65.D.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder	raw_file=30dec20_66.D.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Lung
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	homogenized in PBS, isotope IS added, deproteinized, 2 steps derivatization with
SP:SAMPLEPREP_SUMMARY            	ethoxamine, MTBSTFA
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Analytes were chromatographically separated with 17 minutes GC gradient
CH:CHROMATOGRAPHY_TYPE           	gas phase
CH:INSTRUMENT_NAME               	Agilent Intuvo 9000 GC
CH:COLUMN_NAME                   	Agilent DB5-MS (30m x 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:INSTRUMENT_NAME               	Agilent 5977B HES MSD
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	SIM; peak integration, concentrations calculated
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nano moles per vial
MS_METABOLITE_DATA_START
Samples	90217016611	90218016611	90222016611	90223016611	90225016611	90227016611	90229016611	90232016611	90237016611	90239016611	90245016611	90248016611	90251016611	90252016611	90254016611	90258016611	90259016611	90265016611	90266016611	90267016611	90280016611	90281016611	90283016611	90289016611	90292016611	90406016611	90410016611	90412016611	90416016611	90420016611	90421016611	90422016611	90423016611	90426016611	90430016611	90439016611	90441016611	90444016611	90449016611	90450016611	90559016611	90560016611	90564016611	90567016611	90571016611	90576016611	90578016611	90581016611	90585016611	90587016611
Lactate	17.8147	5.4422	9.9877	7.0767	12.8211	18.8923	10.8055	6.8376	7.3834	4.8734	13.9465	8.4749	17.0878	13.9616	12.7438	16.3109	9.2672	15.1543	6.8427	13.4146	5.7935	4.7252	7.4128	5.1813	3.2543	7.317	9.4644	17.1251	9.1641	14.163	5.3505	8.4154	8.765	5.2554	5.4221	11.7438	6.2669	6.406	5.0183	4.5701	22.0416	9.9835	20.0685	12.0487	16.0851	17.6604	11.596	6.1413	9.7447	7.7252
Succinate	0.5901	0.4661	0.6136	0.8347	0.9801	0.4484	0.7142	0.8109	0.9091	0.5372	0.7898	0.6383	0.7966	0.6687	1.0783	0.3646	0.5385	0.6565	0.4118	0.4899	0.5147	0.4861	0.5722	0.6275	0.384	0.1825	0.1181	0.1872	0.1697	0.2294	0.183	0.1724	0.4136	0.2257	0.205	0.33	0.189	0.1723	0.1705	0.1451	0.2083	0.1334	0.2344	0.1731	0.1645	0.1862	0.2228	0.177	0.1591	0.2006
Fumarate	0.7356	0.5077	0.6271	0.7159	0.9295	0.7348	0.775	0.7838	0.7997	0.5637	0.8737	0.6966	0.9857	0.7969	0.8584	0.7962	0.5778	0.7171	0.5253	0.668	0.5982	0.5782	0.6194	0.718	0.4798	1.3431	0.5862	0.6724	0.5209	0.8297	0.5922	0.654	0.6671	0.6312	0.6753	0.9207	0.4985	0.6212	0.4356	0.5192	0.8477	0.5644	0.9672	0.6947	0.8007	0.6804	0.6906	0.4837	0.4508	0.6606
Oxaloacetate	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
Ketoglutarate	0.0947	0.1856	0.0968	0.0957	0.1242	0.1366	0.1036	0.1062	0.1663	0.0701	0.1014	0.0891	0.1078	0.0922	0.1028	0.0984	0.0769	0.0687	0.0751	0.0984	0.0693	0.0652	0.067	0.0713	0.1081	2.2593	0.032	0.0435	0.013	0.0158	0.0142	0.0035	0.0141	0.0105	0.0292	0.0127	0.0223	0.0244	0.0222	0.0022	0.0503	0.0213	0.0238	0.0396	0.0369	0.0362	0.0068	0.0245	0.0243	0.0031
Malate	0.9539	0.6149	0.79	0.8347	1.0274	1.0433	0.9506	0.876	0.9055	0.6215	1.042	0.9044	1.2892	1.06	1.0642	1.1797	0.7487	0.9878	0.7276	0.9715	0.7091	0.6895	0.809	0.7733	0.5502	1.0405	1.0883	1.487	1.0224	1.4098	0.8828	1.203	0.8781	0.9824	1.0123	1.5064	0.7945	0.9524	0.7009	0.8409	1.5887	1.0636	1.6679	1.2927	1.4159	1.3452	1.239	0.8651	0.9636	1.1251
Aspartate	2.845	2.5333	2.7371	3.2652	3.5764	2.6563	3.1789	3.7111	3.9041	2.0337	3.3867	2.9158	3.3852	2.9352	3.7088	3.2471	2.7075	2.5453	2.0851	3.3365	2.7805	2.6334	3.0362	3.1024	2.3053	2.5086	2.0726	2.5123	2.2504	2.7537	2.7895	2.5825	2.9703	3.0103	2.9831	3.8398	2.0347	2.6608	1.7406	2.2411	2.3015	2.0605	3.1486	2.5928	2.797	2.0538	2.1379	1.8138	1.4784	2.42
2-Hydroxyglutarate	0.0156	0.0116	0.0154	0.0192	0.0278	0.0224	0.0219	0.0217	0.0207	0.011	0.0205	0.0139	0.0222	0.0165	0.02	0.021	0.011	0.0127	0.0106	0.021	0.0136	0.0128	0.015	0.0166	0.009	0.0297	0.0243	0.0323	0.0266	0.0331	0.0269	0.0333	0.036	0.0294	0.0346	0.0438	0.026	0.0295	0.0224	0.0272	0.0322	0.026	0.0398	0.0311	0.0357	0.0287	0.0313	0.0251	0.0218	0.0306
Glutamate	7.6131	6.3727	7.0978	8.4231	10.7899	9.0289	8.5549	9.1198	9.9739	6.3665	9.1959	8.0285	9.8375	7.831	9.8987	10.1965	7.8095	7.9974	6.0891	10.0101	7.0925	7.3772	8.1177	8.0139	5.9725	7.7276	7.0945	8.9406	7.5102	8.8508	6.9652	8.6371	8.6606	7.8268	8.0698	10.6949	6.4466	7.3941	5.5757	6.5308	7.8429	7.585	9.6802	8.326	9.177	6.7913	7.8717	5.8496	5.7763	7.4555
cis-aconitate	0.037	0.0277	0.0307	0.0329	0.0395	0.0502	0.0347	0.0334	0.037	0.0299	0.0428	0.0367	0.0416	0.038	0.0444	0.0484	0.0403	0.0428	0.0277	0.042	0.027	0.0293	0.0303	0.0375	0.0273	0.0347	0.0542	0.0733	0.0537	0.0556	0.0542	0.0553	0.062	0.0503	0.0541	0.0596	0.0517	0.053	0.0467	0.0494	0.0591	0.0525	0.0704	0.0675	0.0623	0.0553	0.0572	0.0502	0.0514	0.0628
Citrate	0.925	0.6746	0.7598	0.9534	1.1086	1.0312	1.0666	1.0127	1.091	0.7585	1.1738	1.1734	1.312	1.099	1.1758	1.1039	0.7442	0.8935	0.726	1.1646	0.6958	0.6892	0.8727	0.7938	0.6317	0.81	0.8598	1.0745	0.8088	1.0294	0.7946	1.0584	1.2325	0.8745	0.9534	1.3445	0.7007	0.9013	0.6618	0.7288	1.0378	0.828	1.4084	1.0728	1.1738	0.8801	1.0757	0.7748	0.7631	0.9684
Isocitrate	0.0519	0.039	0.0416	0.0476	0.0558	0.0556	0.0519	0.0504	0.0547	0.043	0.0615	0.054	0.0663	0.0571	0.0601	0.0578	0.045	0.0489	0.0404	0.0581	0.0406	0.0394	0.0472	0.0469	0.038	0.0539	0.0568	0.073	0.0514	0.0626	0.0548	0.0623	0.071	0.0537	0.0554	0.0734	0.0484	0.0547	0.0464	0.0496	0.0639	0.0563	0.0843	0.0699	0.071	0.0561	0.0684	0.0536	0.0535	0.0685
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
Lactate	C3H6O3	261	90.0317	Lactic acid	4.18
Succinate	C4H6O4	289	118.0266	Succinic acid	5.19
Fumarate	C4H4O4	287	116.011	Fumaric acid	6.13
Oxaloacetate	C4H4O5	346	132.0059	Oxaloacetic acid	8.37
Ketoglutarate	C5H6O5	360	146.0215	Oxoglutaric acid	8.37
Malate	C4H6O5	419	134.0215	Malic acid	8.93
Aspartate	C4H7NO4	418	133.0375	Aspartic acid	9.37
2-Hydroxyglutarate	C5H8O5	433	148.114	2-Hydroxyglutaric acid	9.98
Glutamate	C5H9NO4	432	147.0532	Glutamic acid	10.58
cis-aconitate	C6H6O6	459	174.0164	cis-Aconitic acid	14.08
Citrate	C6H8O7	591	192.027	Citric acid	14.09
Isocitrate	C6H8O7	591	192.027	Isocitric acid	14.09
METABOLITES_END
#END