#METABOLOMICS WORKBENCH efahy_20230425_000011 DATATRACK_ID:3903 STUDY_ID:ST002592 ANALYSIS_ID:AN004264 PROJECT_ID:PR001020
VERSION             	1
CREATED_ON             	April 25, 2023, 7:56 am
#PROJECT
PR:PROJECT_TITLE                 	Molecular Transducer of Physical Activity Consortium
PR:PROJECT_SUMMARY               	MoTrPAC is a national research consortium designed to discover and perform
PR:PROJECT_SUMMARY               	preliminary characterization of the range of molecular transducers (the
PR:PROJECT_SUMMARY               	"molecular map") that underlie the effects of physical activity in humans. The
PR:PROJECT_SUMMARY               	program's goal is to study the molecular changes that occur during and after
PR:PROJECT_SUMMARY               	exercise and ultimately to advance the understanding of how physical activity
PR:PROJECT_SUMMARY               	improves and preserves health. Preclinical and clinical studies will examine the
PR:PROJECT_SUMMARY               	systemic effects of endurance and resistance exercise across a range of ages and
PR:PROJECT_SUMMARY               	fitness levels by molecular probing of multiple tissues before and after acute
PR:PROJECT_SUMMARY               	and chronic exercise. This program is the largest targeted NIH investment of
PR:PROJECT_SUMMARY               	funds into the mechanisms of how physical activity improves health and prevents
PR:PROJECT_SUMMARY               	disease. The MoTrPAC program is supported by the NIH Common Fund and is managed
PR:PROJECT_SUMMARY               	by a trans-agency working group representing multiple NIH institutes and
PR:PROJECT_SUMMARY               	centers, led by the NIH Office of Strategic Coordination, National Institute of
PR:PROJECT_SUMMARY               	Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes
PR:PROJECT_SUMMARY               	and Digestive and Kidney Diseases, National Institute on Aging, and National
PR:PROJECT_SUMMARY               	Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee:
PR:PROJECT_SUMMARY               	Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion
PR:PROJECT_SUMMARY               	Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac
PR:PROJECT_SUMMARY               	Bioinformatics / Data Coordination Center.
PR:INSTITUTE                     	MoTrPAC
PR:LAST_NAME                     	Ashley
PR:FIRST_NAME                    	Euan A.
PR:ADDRESS                       	300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA
PR:EMAIL                         	euan@stanford.edu
PR:PHONE                         	(650) 498-4900
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat
ST:STUDY_TITLE                   	Gastrocnemius Powder - Targeted Amines
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	90217015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_26.RAW
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_27.RAW
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_28.RAW
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_29.RAW
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_30.RAW
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_31.RAW
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_32.RAW
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_33.RAW
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_34.RAW
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=28dec20_35.RAW
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_36.RAW
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_37.RAW
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_38.RAW
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_40.RAW
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_41.RAW
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_42.RAW
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_43.RAW
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_44.RAW
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015516	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_45.RAW
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015516	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=28dec20_46.RAW
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015516	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=28dec20_47.RAW
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015516	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=28dec20_48.RAW
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015516	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=28dec20_49.RAW
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015516	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=28dec20_50.RAW
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015516	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=28dec20_51.RAW
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015516	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=30dec20_26.RAW
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015516	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=30dec20_27.RAW
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015516	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=30dec20_28.RAW
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015516	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=30dec20_29.RAW
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015516	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=30dec20_30.RAW
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015516	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=30dec20_31.RAW
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015516	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=30dec20_32.RAW
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015516	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=30dec20_33.RAW
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015516	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=30dec20_34.RAW
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015516	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=30dec20_35.RAW
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015516	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=30dec20_36.RAW
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015516	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=30dec20_37.RAW
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015516	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=30dec20_38.RAW
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015516	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=30dec20_40.RAW
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015516	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=30dec20_41.RAW
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015516	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=30dec20_42.RAW
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015516	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=30dec20_43.RAW
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015516	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=30dec20_44.RAW
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015516	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=30dec20_45.RAW
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015516	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=30dec20_46.RAW
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015516	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=30dec20_47.RAW
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015516	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=30dec20_48.RAW
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015516	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=30dec20_49.RAW
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015516	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=30dec20_50.RAW
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015516	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=30dec20_51.RAW
#COLLECTION
CO:SAMPLE_TYPE                   	Gastrocnemius
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	homogenized in PBS, isotope IS added, deproteinized
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Analytes were chromatographically separated with 40 minutes LC gradient
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity UPLC
CH:COLUMN_NAME                   	Waters Acquity UPLC BEH C8 (150 x 2.1mm, 1.7um)
CH:SOLVENT_A                     	1% acetonitrile/99% water; 0.1% formic acid
CH:SOLVENT_B                     	1% water/99% acetonitrile
CH:FLOW_GRADIENT                 	t=0 min: 99.9%/0.1% (%A/%B) @ 0.4 ml/min | t=1 min: 99.9%/0.1% (%A/%B) @ 0.4
CH:FLOW_GRADIENT                 	ml/min | t=2 min: 99.9%/0.1% (%A/%B) @ 0.4 ml/min | t=5.5 min: 98.1%/1.9%
CH:FLOW_GRADIENT                 	(%A/%B) @ 0.4 ml/min | t=6.5 min: 98%/2% (%A/%B) @ 0.4 ml/min | t=10 min:
CH:FLOW_GRADIENT                 	97.5%/2.4% (%A/%B) @ 0.4 ml/min | t=12 min: 96%/4% (%A/%B) @ 0.4 ml/min | t=20
CH:FLOW_GRADIENT                 	min: 88%/12% (%A/%B) @ 0.4 ml/min | t=27 min: 86.5%/13.5% (%A/%B) @ 0.4 ml/min |
CH:FLOW_GRADIENT                 	t=31 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=32 min: 2%/98% (%A/%B) @ 0.5 ml/min |
CH:FLOW_GRADIENT                 	t=35 min: 2%/98% (%A/%B) @ 0.5 ml/min | t=35.5 min: 99.9%/0.1% (%A/%B) @ 0.4
CH:FLOW_GRADIENT                 	ml/min | t=39 min: 99.9%/0.1% (%A/%B) @ 0.4 ml/min
CH:FLOW_RATE                     	0.4 ml/min; 0.5 ml/min
CH:COLUMN_TEMPERATURE            	43C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:INSTRUMENT_NAME               	Thermo TSQ Quantiva
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Multiple reaction monitoring mode (MRM); peak integration, concentrations
MS:MS_COMMENTS                   	calculated against multi-point standard curves;
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nano moles per vial
MS_METABOLITE_DATA_START
Samples	90217015516	90218015516	90222015516	90223015516	90225015516	90227015516	90229015516	90232015516	90237015516	90239015516	90245015516	90248015516	90251015516	90252015516	90254015516	90258015516	90259015516	90265015516	90266015516	90267015516	90280015516	90281015516	90283015516	90289015516	90292015516	90406015516	90410015516	90412015516	90416015516	90420015516	90421015516	90422015516	90423015516	90426015516	90430015516	90439015516	90441015516	90444015516	90449015516	90450015516	90559015516	90560015516	90564015516	90567015516	90571015516	90576015516	90578015516	90581015516	90585015516	90587015516
1-Methylhistidine	0.246245088	0.23656043	0.092386199	0.134709089	0.135137089	0.04374491	0.171416363	0.09635823	0.065166218	0.171508369	0.074688042	0.08753812	0.103612253	0.040212855	0.058535924	0.026210099	0.037224515	0.02033863	0.076234354	0.021012864	0.17155363	0.051505156	0.242067851	0.06752791	0.086174971	0.061600268	0.044267346	0.055053104	0.071681557	0.038408334	0.051063505	0.184983851	0.117007092	0.127617808	0.148230177	0.178173431	0.114455499	0.102726045	0.12453071	0.168935383	0.049859188	0.050254363	0.08637616	0.091429162	0.065162657	0.074051877	0.072569849	0.099168436	0.083814163	0.081559591
3-Methylhistidine	nan	0.023121143	0.065316838	nan	nan	nan	0.01821977	0.016729155	nan	0.016008552	nan	nan	nan	0.022634457	nan	nan	0.021067892	nan	nan	nan	nan	0.013946403	0.019356621	nan	nan	nan	nan	0.013486434	0.009568334	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.015674969	nan	0.020731021	nan	0.008998582	0.022907124	0.01729245	nan	nan
Alanine	9.110316216	9.291029371	6.093463708	8.067808925	9.390991092	6.889727372	11.25880485	7.320538408	8.204504881	6.81021636	7.86997185	7.914069517	7.463855996	6.540441499	6.337911888	10.29538616	7.75442799	8.196085942	5.384010496	7.63918732	9.102158369	7.329662025	8.27479802	8.150673226	8.24841745	5.053106687	5.252936075	9.166075252	7.950191984	5.993988334	6.425530347	9.586146834	7.616439743	6.170320499	7.555104226	8.858459597	7.616866274	7.10551678	9.449194884	8.898035383	6.99308107	6.832990343	5.937302825	9.905760229	6.988611225	8.137174494	7.115792462	7.254812735	6.697914363	5.667135116
alpha-Aminoadipic-acid	0.006202722	0.006499372	0.00480794	0.006111324	0.005605098	0.004177681	0.005698392	0.004917371	0.005686426	0.003737274	0.006780003	0.005113832	0.004603347	0.005374038	0.00563443	0.005247058	0.005154487	0.0051325	0.005795728	0.00522187	0.006591682	0.005643466	0.005870432	0.006569553	0.006281913	0.000583513	0	0.00068522	0.001713501	0.000657394	0	0.001293202	0.000533223	0.000593061	0.000552616	0.001558703	0.000263557	0.001376537	0.001528202	0.001443614	0.001866333	0.000983113	0.001447676	0.003619714	0.001544982	0.004233163	0.001741144	0.002705241	0.003112905	0.000921962
alpha-Amino-N-butyric-acid	0.048101994	0.050194605	0.026435651	0.03350816	0.028232605	0.01716675	0.069702648	0.039049469	0.028144829	0.024993763	0.217019697	0.148671539	0.139988225	0.205036947	0.132645284	0.047025776	0.030732438	0.024395857	0.12416517	0.048329069	0.048145248	0.021896742	0.063197685	0.053454683	0.039404124	0.051026628	0.072694203	0.041076079	0.063107649	0.044084158	0.030991614	0.050748951	0.042159258	0.033956258	0.037804782	0.074396032	0.022273766	0.070524073	0.039914497	0.050251792	0.153828155	0.107451227	0.190293313	0.225011894	0.120598306	0.257092178	0.139028715	0.219507825	0.150913241	0.15459699
Anserine	40.46825347	41.25800098	28.12989272	33.73087658	42.24241611	29.36900823	49.94189122	38.04835953	40.32703886	32.76760494	31.4646366	34.39769859	29.01167383	29.53690436	24.300447	30.4119739	29.70102306	31.13693367	27.52133955	27.49976008	40.8794364	35.06501519	45.93520048	34.68139298	37.30622074	21.85980675	21.89982826	28.5780031	32.17509411	21.6804594	30.65017937	54.34031805	36.19817667	31.77930438	39.21951761	50.44128103	38.98314727	36.06848712	51.8883825	48.43998248	23.83920015	32.81236512	28.89346597	44.22481487	32.83245215	36.49731877	35.7896185	38.84624837	39.04838554	30.37969187
Arginine	0.417519808	0.690551532	0.376910491	0.612502182	0.67745328	0.351484293	0.553526045	0.434524519	0.546189697	0.339552041	0.669034192	0.469080088	0.484464949	0.51272764	0.554749259	0.75252614	0.557299976	0.457264634	0.452558654	0.565158198	0.531257831	0.454102397	0.441662004	0.397555264	0.549472999	0.383440454	0.524177926	0.652572228	0.666623523	0.467570984	0.315786774	0.708626958	0.356542967	0.359814032	0.394209347	0.559206031	0.466265079	0.411405987	0.491036211	0.545421263	0.538893364	0.567999094	0.455407542	0.819055071	0.523763652	0.641848892	0.621858444	0.719899536	0.763302897	0.460849643
Asparagine	1.425966553	1.775031319	1.119695665	1.366676941	1.782575668	1.0640912	1.69058807	1.278073519	1.505907392	1.147362905	1.435144384	1.62234204	1.318511423	1.303883654	1.098519943	1.491086487	1.261984555	1.34200833	1.264280027	1.328584049	1.425923425	1.264742282	1.239802375	1.26890691	1.433444211	1.148935147	1.151760194	1.570696407	1.622627957	1.324814076	1.111534189	1.785619868	1.268220021	1.170164104	1.253517227	1.782940178	1.355924774	1.389913142	1.607350164	1.788509552	1.08897741	1.456152246	1.338827328	1.905664325	1.273138119	1.659619335	1.681316956	1.462390719	1.590783614	1.212643471
Aspartic Acid	0.70067218	1.91105359	1.028648104	1.216488542	1.628810816	0.87465046	1.384758862	0.986735623	1.76161684	1.0805281	1.333099666	0.969895772	1.712332977	1.239547276	1.451126206	1.140079146	0.982924811	0.755169143	0.732198161	1.222598994	1.787495522	1.408187316	1.017414049	1.461552761	2.004048962	1.420521177	0.909303882	0.892010032	1.486366461	1.172512135	1.189158701	1.027587569	0.858166052	1.146125822	0.935788321	2.23688926	0.783025694	1.667401315	1.594982637	1.636761031	1.441258146	1.331989816	1.796757184	0.869076464	0.949252311	1.677340059	1.426750475	0.98296923	1.056506692	0.617913925
beta-Alanine	0.735004153	0.537165507	0.348699894	0.332143843	0.385674403	0.258457224	0.750372039	0.479611917	0.512998219	0.337478214	0.666743597	0.518364511	0.338539826	0.488551313	0.347145929	0.406385911	0.280432272	0.376576216	0.426786826	0.317488389	0.423813871	0.387260537	0.493949885	0.452981534	0.506942693	0.357714329	0.336455961	0.38346891	0.525734918	0.266053062	0.416604148	0.563121899	0.532003508	0.408732119	0.357251775	0.672465192	0.343073752	0.380471227	0.578905914	0.601072404	0.392178475	0.431557047	0.559026824	0.845662665	0.504446328	0.840249368	0.671043641	0.590926764	0.624476202	0.602989839
beta-Aminoisobutyric-acid	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan
Carnosine	13.19534812	12.46833967	7.649087187	9.876103137	11.56723246	9.13546165	16.3714024	12.21522482	13.35279832	11.15636935	13.99471801	12.69455201	10.67069865	11.72942235	10.37415888	12.18901336	10.16841341	11.66180589	10.25384278	10.46127724	11.68795066	11.54284214	13.17278813	12.52147136	13.12081933	9.294792588	9.392988364	12.75366829	14.45071249	9.078538218	11.84318815	14.29338594	13.1430898	10.94650049	12.14465235	14.32089919	10.41256826	11.00433087	13.91054151	15.52660569	9.79457313	12.42006555	11.24171235	15.20963473	12.30847398	14.91391783	14.32108685	14.83521717	13.40928967	12.34304313
Citrulline	1.488440984	1.611265313	0.856725357	0.978804326	1.363669956	0.888993801	1.561136389	1.149623699	1.288845786	1.021439313	2.034738391	1.537919421	1.294207889	1.396627626	1.33297976	1.547822309	1.461661588	1.479712797	1.497999058	1.357536127	1.203118904	1.056143396	1.471155342	1.078985969	1.173559914	0.904054834	0.968083436	1.260619557	1.417322412	0.979587965	0.74160396	1.367892336	0.891725212	0.806271039	0.97323474	1.163128069	0.961381304	0.963153637	1.245008605	1.235567356	0.985484479	1.23216535	1.317039546	2.100368099	1.228301339	1.348944784	1.814829074	1.429036257	1.563906711	1.071335196
Cystathionine 1	0.005176822	0.002660745	0.002493979	0.003148623	0.002982854	0.002942182	0.005070573	0.004110738	0.00415254	0.003176686	0.005899596	0.005385532	0.004270908	0.00614779	0.005022434	0.003896148	0.003715936	0.003801206	0.004803324	0.004348164	0.003846002	0.00343361	0.003385544	0.00330849	0.004867667	0.002893895	0.004014641	0.003531076	0.005058393	0.004251228	0.003429898	0.005740541	0.004431261	0.003478751	0.002248451	0.003485025	0.003830345	0.003408791	0.003818377	0.004084333	0.00529699	0.005072541	0.004534293	0.005827123	0.007456668	0.006438813	0.005630193	0.004595159	0.004472724	0.004028201
Cysteine	0.002354261	0.00543724	0.004292191	0.006493837	0.004330625	0.002733257	0.003001484	0.00354555	0.003986098	0.003312046	0.002751259	0.003007895	0.002751914	0.003460241	0.003975197	0.004021213	0.003688711	0.002017211	0.004359383	0.003110696	0.005022613	0.00445334	0.004288196	0.003519708	0.003227724	0.001255044	0.001420825	0.001328958	0.002514602	0.00121195	0.001602625	0.002430646	0.001645806	0.002141046	0.002550039	0.001225512	0.001781458	0.002172267	0.001516103	0.002084102	0.003866808	0.001734432	0.002584464	0.004372294	0.001242881	0.004014558	0.001439684	0.003584606	0.003242398	0.001816487
Ethanolamine	0.264713334	0.302578989	0.235473977	0.262065197	0.288929811	0.176583014	0.275120945	0.213614614	0.197536658	0.183121397	0.226490706	0.213960911	0.233149248	0.200173764	0.190035102	0.217767341	0.183920133	0.157349823	0.178751479	0.213486979	0.243013092	0.220478926	0.266410816	0.20563483	0.246841251	0.15279696	0.172367826	0.192587616	0.238746707	0.158151572	0.174296552	0.241495369	0.178584424	0.194499445	0.181412463	0.28131431	0.187189698	0.201222426	0.240370733	0.247891732	0.189247502	0.184259917	0.202439288	0.264235919	0.197060837	0.291339408	0.243570733	0.214961659	0.267171124	0.182816679
gamma-Amino-N-butyric-acid	0.010090349	0.008640338	0.006020359	0.006009501	0.007650068	0.004657448	0.009361521	0.007127498	0.008683591	0.006247983	0.009706328	0.007992662	0.00669784	0.008140841	0.005598561	0.008206297	0.006224681	0.007145354	0.007673243	0.006087557	0.006964707	0.005910394	0.008188476	0.005525433	0.010574285	0.005236567	0.005493359	0.006075155	0.007224573	0.004602405	0.006175932	0.009001373	0.007280927	0.006271166	0.00660754	0.008186318	0.006493692	0.006657318	0.007342722	0.006960441	0.006365354	0.006705458	0.006436561	0.009898692	0.008070759	0.00930403	0.007716569	0.007874725	0.007202922	0.00609563
Glutamic Acid	10.30375217	10.89561643	6.974926396	7.397662926	10.15165047	5.942490081	8.835825238	8.564575008	8.887082534	5.542625521	8.021774766	7.940255022	7.87869888	8.59523672	7.580176997	7.815262848	7.797024783	6.781979786	8.379664178	6.63985999	7.718503746	7.495566068	8.163399824	8.481722474	8.302736392	5.616832658	5.977914231	6.639005703	7.449698811	7.231708121	5.422776951	8.092206702	4.438615615	5.825407673	5.503250556	8.490818865	5.504458148	7.074995104	6.696431513	7.796139428	4.518367309	7.284062826	8.088406119	9.500690113	4.94966118	8.90454407	7.970744324	7.016823951	9.445140514	6.022827868
Glutamine	24.07626704	23.69114952	13.67980023	16.99315689	20.25744819	13.51994293	26.68828704	17.98559532	19.08211097	15.3860575	21.48270005	19.70776664	15.58634605	16.96592851	15.39025681	16.58227831	15.61433303	15.04913846	17.24740078	16.84570676	17.78548087	14.1454566	17.89502858	17.60305452	19.18803281	13.41018174	13.80771973	18.14991134	19.78245173	16.87872373	16.46730758	26.73857144	16.77245649	15.60757721	17.65411237	25.18671012	17.25353918	19.03297702	20.9974915	24.34243883	14.18817395	19.5446799	17.56343968	23.81132687	17.21635081	19.31855342	21.70510512	17.91818197	18.61818517	14.96338441
Glycine	15.66221433	13.03946925	8.536676951	10.42880529	10.10649782	8.363029055	17.33192767	12.3755847	15.70700643	11.31903144	15.14219387	19.83792184	14.02313337	14.74690824	12.72817789	14.39537781	13.4696504	14.61228449	14.44550827	13.40842308	13.25238916	10.49246026	15.26136095	13.73952341	14.46286585	8.939952384	11.35690088	17.49078866	15.76224285	10.06322924	9.226234795	19.85912101	14.02971038	9.530045792	10.74410354	13.39401441	15.98470642	10.02986861	16.54243851	18.22696608	15.29178881	16.18134366	15.50527382	21.57186423	17.31905879	13.74493298	18.94120576	22.27557967	13.65896854	14.27778267
Histidine	1.584820971	1.839924677	1.011311889	1.171870242	1.496754638	1.008053217	1.685327223	1.213107526	1.32936768	1.142035234	1.39936095	1.207253648	0.925608585	1.020636064	0.928767332	1.170185248	1.080703565	0.935789943	0.901073034	0.988398408	1.102148998	0.789726728	1.037898581	0.903118574	1.056307841	0.700303594	0.763275417	0.894234281	0.982406862	0.685102107	0.709727742	1.290044146	0.817843184	0.676041003	0.689659648	0.826525245	0.750693334	0.612777321	0.825485079	0.769401999	0.605702566	0.766335392	0.643754795	0.978875793	0.692078182	0.681762707	0.816129273	0.826472576	0.796426958	0.603778946
Homocysteine	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan
Hydroxylysine	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan
Hydroxyproline	0.844732145	0.673620403	0.40095155	0.436543691	0.589266444	0.410736626	1.028131176	0.6250351	0.760817016	0.505142825	0.609917141	0.557567277	0.343950084	0.419381277	0.340921341	0.444792049	0.431929932	0.46341121	0.400027671	0.372628539	0.776118406	0.614195764	0.803948445	0.627964652	0.625887245	0.263202866	0.314356365	0.385671198	0.337219683	0.233244046	0.410183166	0.862350315	0.569841103	0.464932214	0.451435215	0.587430621	0.535482566	0.396986187	0.611091066	0.625175232	0.343728507	0.413471617	0.402719778	0.671568451	0.446909156	0.397938823	0.467353247	0.518060123	0.43924758	0.38734408
Isoleucine	0.488277753	0.610778416	0.361247237	0.481904756	0.616887148	0.394271393	0.563325701	0.475694846	0.482178689	0.37358398	0.459581042	0.478662634	0.537457919	0.560702326	0.395774573	0.529979309	0.42421507	0.396563331	0.469418122	0.436216385	0.514221849	0.406386019	0.441014658	0.498650142	0.504574334	0.348328867	0.320129745	0.404870176	0.520379906	0.341160442	0.351063649	0.502491297	0.351035118	0.432028421	0.358397294	0.509767804	0.353389528	0.38580621	0.434465559	0.459624242	0.406618289	0.379188591	0.496871118	0.59292329	0.372392414	0.527043237	0.487942327	0.483081044	0.500908313	0.438341379
Leucine	0.841728824	1.129835443	0.601288752	0.905762756	1.18725193	0.755486192	1.027180412	0.878107294	0.902807442	0.69396148	0.913232171	0.875878593	0.93842694	0.929225432	0.735734482	0.943192268	0.760583253	0.685476872	0.856529292	0.729632839	0.920206549	0.731238283	0.788002021	0.911814425	0.918636218	0.579745547	0.555495725	0.729331168	0.90013885	0.628956849	0.65251966	0.90747032	0.640706821	0.755963939	0.645443445	0.950536734	0.643173806	0.697118654	0.788217463	0.828153176	0.74224878	0.723996195	0.80732001	1.053969087	0.611069085	0.955021908	0.843257628	0.819128507	0.851951021	0.74618058
Lysine	1.469002742	1.679047883	1.108298525	1.532817489	1.656746019	1.043902317	1.590877778	1.095786837	1.375114738	1.058827677	2.136021304	1.70590771	1.483096701	1.555212376	1.723858292	1.69855385	1.516909537	1.322361398	1.429455136	1.524862957	1.614787922	1.395572273	1.409768693	1.187308486	1.499135076	1.125417588	1.274395604	1.773129116	1.572176181	1.141269959	0.886816296	2.010618661	1.114900006	1.057385797	1.087830011	1.663841589	1.353506635	1.307267823	1.545500243	1.518053807	1.722344788	1.706337743	1.745560633	2.904342187	1.845254487	2.394449207	2.22010461	2.540902584	2.399571593	1.641375356
Methionine	0.288995776	0.50725738	0.248028027	0.395115837	0.511739068	0.30954578	0.439433781	0.322211052	0.335267476	0.280510618	0.313659206	0.330803277	0.304064493	0.265961086	0.259666848	0.346117005	0.294784644	0.28246541	0.304479402	0.285777101	0.359449359	0.339800615	0.320371906	0.324557501	0.365743516	0.216230055	0.197711588	0.276176237	0.283851228	0.228729949	0.23325	0.351711969	0.261220367	0.288753468	0.257317883	0.368333087	0.267224899	0.296782272	0.374862888	0.327156224	0.23815744	0.245177715	0.252772467	0.335207468	0.227548341	0.341522476	0.331269233	0.296677917	0.348832793	0.256605131
Ornithine	0.147184786	0.112154558	0.080976769	0.084546348	0.114174739	0.082093212	0.123817777	0.098692743	0.116948304	0.074033407	0.111993112	0.10663276	0.079234914	0.0754896	0.09089613	0.103470782	0.099626084	0.104694853	0.081378248	0.091880804	0.107698399	0.089788939	0.092886835	0.102587966	0.118166309	0.078504791	0.06789922	0.123958195	0.12006737	0.069912761	0.134724247	0.177185334	0.103758304	0.108457602	0.102520402	0.115484245	0.138552633	0.104355856	0.105699403	0.125166867	0.088488534	0.12139331	0.078672106	0.151395471	0.103726206	0.084274586	0.104275427	0.13573956	0.113947851	0.076783722
Phenylalanine	0.46014756	0.713981654	0.324389877	0.60454594	0.73178716	0.463234329	0.687597296	0.571221254	0.487321943	0.468803976	0.547651552	0.541583904	0.461549352	0.426744236	0.424327923	0.514797926	0.471127294	0.410581854	0.477497261	0.3877951	0.527723997	0.428607977	0.497194833	0.520323152	0.538350055	0.31147729	0.290255591	0.410283548	0.442832993	0.355749782	0.395923182	0.530362719	0.399468983	0.442738045	0.387419679	0.549072323	0.391791216	0.430515147	0.488076718	0.517437767	0.439092604	0.40041755	0.389604737	0.522370724	0.266539469	0.533902474	0.459878943	0.476790116	0.482432986	0.369498878
Phosphoethanolamine	0.271035681	0.328384935	0.304842706	0.353500941	0.382653695	0.22543267	0.273464393	0.194793974	0.229384332	0.189193479	0.245860461	0.248281858	0.297190327	0.196323138	0.238436112	0.262593248	0.275331595	0.209757567	0.216671285	0.282436991	0.306092059	0.306572372	0.163726956	0.3543161	0.359694315	0.147363556	0.122805018	0.140178296	0.193636373	0.183302291	0.145207321	0.200186943	0.155185512	0.137113509	0.114212228	0.231372166	0.133537556	0.179923837	0.180678701	0.201514393	0.147640544	0.164774425	0.154116045	0.179902815	0.156069414	0.230133433	0.164398812	0.164055725	0.200780734	0.173426838
Proline	1.129095086	1.188344203	0.858608396	1.060446546	1.283350145	0.912799153	1.198404173	0.92212668	1.124398302	0.876177117	1.069332293	1.055448249	0.938340263	0.852307922	0.853721553	1.17594566	1.069495022	1.227112297	0.898756522	0.996180853	1.040055663	0.990013779	0.880527109	1.002969196	1.057773381	0.732082894	0.813645835	1.110982062	1.127746759	0.792497995	0.780504449	1.193300803	0.989368143	0.884334324	0.802186505	1.043872162	0.961402968	0.843029389	1.107322382	1.099353166	0.716791557	0.88206554	0.870005457	1.306032397	0.862601533	0.997245508	1.140594902	0.98427292	1.0388485	0.825622402
Sarcosine	0.045458762	0.029582809	0.01786417	0.021587425	0.0206373	0.02105218	0.035914582	0.030820089	0.039975145	0.032328908	0.053772594	0.05238614	0.037377628	0.03700581	0.036093634	0.047179054	0.034913487	0.044482176	0.046947546	0.039970612	0.025758501	0.021012548	0.034017798	0.029256805	0.036149587	0.031435825	0.040158723	0.044799604	0.03668301	0.029221513	0.021842256	0.048471435	0.034392803	0.027152163	0.024601197	0.03107411	0.033344771	0.022470274	0.039340713	0.03736034	0.045658686	0.045152392	0.038439635	0.059749969	0.047647326	0.032711983	0.053807008	0.061042729	0.039458076	0.039696108
Serine	4.365008384	4.265008476	2.670245449	3.494284043	4.30019305	2.743419905	4.73582413	3.346608581	4.069051614	2.853066424	4.707625279	4.761689855	3.566254636	3.875790541	3.578910879	4.235565307	4.613540024	4.148613083	3.743630138	4.211799853	4.021018878	3.072235031	3.637700191	3.752073676	3.874304618	2.665438022	3.176666521	4.477300847	4.160910205	3.260774484	2.843771528	4.779396879	3.417279994	2.819490716	3.393090101	4.261604419	4.126477333	3.554465122	4.282576072	4.402055483	3.175406695	4.492328485	3.600630625	6.187547821	4.119126214	3.877753707	4.840694682	4.727402675	4.379999473	3.33210226
Taurine	38.17850692	38.81170341	28.37171963	32.41165955	39.49094168	27.96061413	40.2120652	32.15269027	39.60359403	32.54695019	36.53612842	31.85604432	30.56974558	31.81766717	25.56126657	32.32377231	30.12284911	30.41031641	28.74386804	29.22024023	35.36129283	32.20473065	37.76781284	31.76172689	34.74498011	27.22895386	27.17728243	32.48573871	36.77570281	31.3059183	32.30824106	44.761606	31.83739945	31.51461921	34.20109402	43.37029204	33.14278206	37.29071925	41.40910177	40.87030586	30.34538053	36.49407421	33.54626808	41.70313165	31.55075735	42.09422047	37.1115157	37.32513478	35.49972059	29.32462373
Threonine	2.644478864	2.637324343	1.869513734	2.1240831	2.629962209	1.670606996	2.811114509	2.056347818	2.271456151	1.525214169	2.55031251	1.97661234	1.814797622	1.944156093	1.641164244	2.256902517	1.945016948	2.015828655	1.713669691	1.911357489	2.154188941	1.789282087	2.066694821	2.222259453	2.231097973	1.39854649	1.431984177	1.860763757	1.906245593	1.386223016	1.531325779	2.689040406	1.894056889	1.634009036	1.755897178	2.395326178	2.152093223	2.112191907	2.151200981	2.458827364	1.340017056	1.772365693	1.698148292	2.931444716	2.10317603	2.031947826	2.451486135	2.400853561	2.31088814	1.705431091
Tryptophan	0.177899789	0.209859447	0.135257925	0.17125968	0.211352697	0.136894672	0.212606195	0.169548469	0.184973579	0.134608013	0.174931448	0.184524285	0.162629977	0.166911873	0.137757181	0.169395443	0.152518065	0.14468364	0.159995389	0.149759134	0.175599933	0.154971623	0.181314305	0.164297555	0.161789318	0.11889362	0.111514082	0.142360382	0.163745183	0.115165992	0.131456437	0.199883078	0.129173147	0.137495008	0.14663873	0.16479542	0.150143808	0.139868156	0.159689488	0.183909143	0.150822651	0.158834815	0.160452769	0.218843867	0.12626822	0.194664173	0.173639335	0.207489629	0.190450954	0.168965013
Tyrosine	0.56374569	0.790838255	0.436633542	0.694736968	0.817426558	0.565480734	0.875274846	0.620934381	0.603077467	0.466948959	0.573211461	0.607232023	0.530813626	0.509075075	0.432206472	0.572947149	0.554638118	0.46115544	0.545860444	0.51270944	0.601026936	0.557636822	0.549239158	0.533047447	0.594205335	0.349427029	0.361992555	0.52112126	0.506287218	0.402909731	0.434351504	0.63772221	0.428261386	0.459532854	0.433467226	0.530841133	0.443793245	0.468973582	0.533950328	0.541321799	0.442756742	0.411792459	0.450143071	0.637089407	0.370167625	0.45105214	0.506231009	0.488574009	0.485382037	0.420563431
Valine	1.02773421	1.155776981	0.810166885	1.02182108	1.217269913	0.783471605	1.163711895	0.933915331	0.998570968	0.732503209	0.904028679	0.881021093	0.939374631	0.922930417	0.723278432	0.955589303	0.798694225	0.815234349	0.840646309	0.854874052	0.941034155	0.793372023	0.741073236	0.956662445	0.980370645	0.753888845	0.66750104	0.851970801	1.048436671	0.750499936	0.794715442	1.08128622	0.828074094	0.870101945	0.743829472	1.073912632	0.736842429	0.739883715	0.879610296	0.994828315	0.753647984	0.773747319	0.989919272	1.241413539	0.732896188	1.044516313	0.928584904	0.938504182	1.008711815	0.867536429
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
1-Methylhistidine	C7H11N3O2	340.6	169.0851	1-Methylhistidine	4.1
3-Methylhistidine	C7H11N3O2	340.6	169.0851	3-Methylhistidine	4.3
Alanine	C3H7NO2	260.3	89.0477	Alanine	13.3
alpha-Aminoadipic-acid	C6H11NO4	332.3	161.0688	Aminoadipic acid	15.07
alpha-Amino-N-butyric-acid	C4H9NO2	274.3	103.0633	2-Aminobutyric acid	17.26
Anserine	C10H16N4O3	206.3	240.1222	Anserine	5.61
Arginine	C6H14N4O2	345.3	174.1117	Arginine	5.1
Asparagine	C4H8N2O3	303.3	132.0535	Asparagine	4.4
Aspartic Acid	C4H7NO4	304.3	133.0375	Aspartic acid	7.7
beta-Alanine	C3H7NO2	260.3	89.0477	beta-Alanine	10.1
beta-Aminoisobutyric-acid	C4H9NO2	274.3	103.0633	Aminoisobutyric acid	15.35
Carnosine	C9H14N4O3	199.3	226.1066	Carnosine	5.1
Citrulline	C6H13N3O3	346.3	175.0957	Citrulline	9.3
Cystathionine 1	C7H14N2O4S	282.3	222.0674	Cystathionine	17.55
Cysteine	C3H7NO2S	291.3	121.0197492	Cysteine	18.76
Ethanolamine	C2H7NO	232.3	61.0528	Ethanolamine	6.36
gamma-Amino-N-butyric-acid	C4H9NO2	274.3	103.0633	gamma-Aminobutyric acid	13.7
Glutamic Acid	C5H9NO4	318.35	147.0532	Glutamic acid	9.5
Glutamine	C5H10N2O3	317.35	146.0691	Glutamine	5.78
Glycine	C2H5NO2	246.25	75.032	Glycine	6.4
Histidine	C6H9N3O2	163.9	155.0695	Histidine	3.7
Homocysteine	C4H9NO2S	303.3	135.0353992	Homocysteine	25.59
Hydroxylysine	C6H14N2O3	252.3	162.1004	5-Hydroxylysine	15.9
Hydroxyproline	C5H9NO3	302.2	131.0582432	Hydroxyproline	3.9
Isoleucine	C6H13NO2	302.2	131.0946	Isoleucine	25.07
Leucine	C6H13NO2	302.2	131.0946	Leucine	25.77
Lysine	C6H14N2O2	244.3	146.1055	Lysine	18.73
Methionine	C5H11NO2S	320.2	149.051	Methionine	19.97
Ornithine	C5H12N2O2	237.3	132.0899	Ornithine	17.45
Phenylalanine	C9H11NO2	336.3	165.079	Phenylalanine	27.15
Phosphoethanolamine	C2H8NO4P	312.2	141.0191	Phosphoethanolamine	4.58
Proline	C5H9NO2	286.3	115.0633	Proline	15.4
Sarcosine	C3H7NO2	260.3	89.0477	Sarcosine	8.4
Serine	C3H7NO3	276.25	105.0426	Serine	5.69
Taurine	C2H7NO3S	296.2	125.0147	Taurine	5.28
Threonine	C4H9NO3	290.3	119.0582	Threonine	11.4
Tryptophan	C11H12N2O2	375.3	204.0899	Tryptophan	28.91
Tyrosine	C9H11NO3	352.3	181.0739	Tyrosine	19.68
Valine	C5H11NO2	288.3	117.079	Valine	20.47
METABOLITES_END
#END