#METABOLOMICS WORKBENCH efahy_20230425_000024 DATATRACK_ID:3919 STUDY_ID:ST002604 ANALYSIS_ID:AN004276 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 Kidney
ST:STUDY_TITLE                   	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	90217015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_26.RAW
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_27.RAW
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_28.RAW
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_29.RAW
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_30.RAW
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_31.RAW
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_32.RAW
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_33.RAW
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_34.RAW
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=01feb21_35.RAW
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_36.RAW
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_37.RAW
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_38.RAW
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_40.RAW
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_41.RAW
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_42.RAW
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_43.RAW
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_44.RAW
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015911	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_45.RAW
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015911	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=01feb21_46.RAW
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015911	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=01feb21_47.RAW
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015911	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=01feb21_48.RAW
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015911	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=01feb21_49.RAW
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015911	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=01feb21_50.RAW
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015911	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=01feb21_51.RAW
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406015911	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=05feb21_27.RAW
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015911	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=05feb21_28.RAW
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015911	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=05feb21_29.RAW
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015911	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=05feb21_30.RAW
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015911	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=05feb21_31.RAW
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015911	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=05feb21_32.RAW
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015911	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=05feb21_33.RAW
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015911	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=05feb21_34.RAW
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015911	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=05feb21_35.RAW
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015911	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=05feb21_36.RAW
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015911	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=05feb21_37.RAW
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015911	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=05feb21_38.RAW
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015911	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=05feb21_39.RAW
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015911	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=05feb21_41.RAW
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015911	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=05feb21_42.RAW
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015911	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=05feb21_43.RAW
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015911	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=05feb21_44.RAW
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015911	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=05feb21_45.RAW
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015911	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=05feb21_46.RAW
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015911	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=05feb21_47.RAW
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015911	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=05feb21_48.RAW
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015911	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=05feb21_49.RAW
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015911	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=05feb21_50.RAW
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015911	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=05feb21_51.RAW
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015911	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=05feb21_52.RAW
#COLLECTION
CO:SAMPLE_TYPE                   	Kidney
#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	90217015911	90218015911	90222015911	90223015911	90225015911	90227015911	90229015911	90232015911	90237015911	90239015911	90245015911	90248015911	90251015911	90252015911	90254015911	90258015911	90259015911	90265015911	90266015911	90267015911	90280015911	90281015911	90283015911	90289015911	90292015911	90406015911	90410015911	90412015911	90416015911	90420015911	90421015911	90422015911	90423015911	90426015911	90430015911	90439015911	90441015911	90444015911	90449015911	90450015911	90559015911	90560015911	90564015911	90567015911	90571015911	90576015911	90578015911	90581015911	90585015911	90587015911
1-Methylhistidine	0.321832444	0.333454429	0.206881627	0.240021695	0.251542184	0.313534848	0.288487288	0.256080393	0.247624482	0.322526238	0.258836997	0.298918057	0.243329474	nan	0.308751332	0.198827692	0.184107408	0.331032582	0.147858872	nan	0.387590159	nan	0.343625286	0.321038418	0.264972163	0.727435851	0.850113844	1.271738832	0.833325565	0.698286455	0.974861356	0.744261367	0.808791511	0.954680462	0.820667657	0.841913767	0.725204149	0.663188568	0.992052366	0.700803417	0.509373823	0.929744945	0.724127986	0.685123882	0.732329819	0.640227636	0.596356196	0.632691985	0.628833679	0.613418693
3-Methylhistidine	0.2188611	0.188320312	0.151863628	0.154178768	0.180032225	0.25526806	0.140259635	0.167160531	0.213244493	0.216009539	0.175827731	0.343681318	0.326857664	0.312586531	0.301707863	0.253382288	0.253401957	0.292039042	0.190416016	0.238160239	0.266949103	0.229973536	0.21224991	0.26611371	0.224970825	0.165916875	0.134911043	0.374452363	0.245425651	0.233022007	0.131829648	0.093385114	0.101971793	0.159724347	0.090079165	0.101038879	0.114408026	0.094352689	0.089323483	0.080304668	0.121272204	0.235154573	0.21772474	0.095926942	0.114122275	0.083240853	0.101893726	0.099291627	0.063570735	0.124030131
Alanine	12.09950878	10.90117088	10.78201029	10.80688466	10.96988612	13.73607442	10.79052304	13.7252172	12.61067439	15.40067145	11.87266494	13.31773537	12.70845067	12.92458503	12.33607166	8.83527974	8.859436729	12.7871004	12.09715154	11.70199574	12.17174311	12.16700315	11.14298672	13.73275838	12.64521809	10.44438475	14.22942492	14.28807294	11.42297758	12.76546205	14.68325858	13.27236891	14.88446902	17.39823397	14.29703101	15.42644507	14.07523251	12.30210186	14.79047818	12.61977394	9.911600776	12.69509349	11.50982969	11.26800174	12.45258065	11.52313297	9.783738945	12.60885872	11.26290414	13.44964279
alpha-Aminoadipic-acid	0.046593985	0.024912444	0.027411438	0.027622911	0.029231072	0.035779964	0.027611896	0.034474386	0.036924538	0.04285718	0.029028756	0.025074381	0.032290976	0.040434133	0.026595967	0.020378606	0.020593681	0.035304098	0.032806833	0.026299367	0.030293526	0.039837547	0.02853545	0.034975136	0.031112867	0.023609692	0.028199648	0.022026855	0.019993889	0.027844049	0.032181374	0.034105246	0.03581639	0.036750191	0.037984296	0.029537977	0.033282699	0.035573621	0.022983792	0.029925414	0.030868566	0.02926876	0.028799556	0.029236121	0.034381754	0.042894508	0.031192566	0.031120892	0.035296933	0.0324778
alpha-Amino-N-butyric-acid	0.332728532	0.206893343	0.125972575	0.151901627	0.122590467	0.149030041	0.307958307	0.260596006	0.147835412	0.226280239	0.781105023	0.544303592	0.452700043	0.649677961	0.523511839	0.114877405	0.093381875	0.07806003	0.449364488	0.162939481	0.205375419	0.129097842	0.402209011	0.294378806	0.203815156	0.29739872	0.434116063	0.170700502	0.196789421	0.257726012	0.335009797	0.325869669	0.331990347	0.375186268	0.355106749	0.543126648	0.543131826	0.133026379	0.249096346	0.299859279	0.47326838	0.456391886	0.70419267	0.61885204	0.684559869	0.829775704	0.464907664	0.879196437	0.528834968	0.705159382
Anserine	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
Arginine	5.239318614	4.889733905	4.364073341	4.596446476	4.825145471	5.68670147	5.223150485	6.153734969	6.045997253	7.126907364	5.262957426	5.968727032	5.740631249	5.346357149	5.297632525	4.093148434	3.741095568	5.130500006	5.379948646	5.301975834	6.036907301	5.798188323	5.293551699	6.493103498	6.872449875	3.834126866	5.382088855	5.295102016	4.144189632	4.340515341	5.336304233	4.960631403	5.64486746	7.387515926	5.880265531	5.315656404	5.543412797	4.812600572	6.243411189	4.867853219	3.646749747	4.410102704	4.090949941	4.574099836	4.926653577	4.278599085	3.650695358	5.208401028	4.555438767	5.32640578
Asparagine	6.59535335	5.749528055	5.282907912	5.504842047	5.297152659	7.149950777	5.526627623	7.03582208	6.956145519	8.501874279	5.74040288	6.505952678	6.228650974	6.578255177	5.833494597	4.679588806	3.893236179	5.288248889	5.921493679	5.599167617	6.22750081	6.448146963	6.252931179	7.851511712	7.528527728	5.499763752	8.963477675	7.495877551	5.255539298	6.816562138	9.027522633	7.464776238	8.933221786	10.7112434	8.300866636	9.102445887	8.478960323	7.084557854	8.79351026	7.228084957	4.710387937	6.724441168	6.669613715	5.954537696	6.781788433	6.165486222	5.604070714	7.178865076	6.045648027	7.648175344
Aspartic Acid	9.469977497	9.749444867	9.239355625	9.521508918	9.673140111	11.09991951	8.119125546	11.18932425	11.20428466	13.82711701	9.741236648	11.88720982	11.23316959	11.09061487	10.92652461	7.341997694	7.345849555	10.56854867	10.07485572	11.70261352	10.7705009	11.31240644	9.471428399	12.15685159	11.37249813	10.35655842	13.35364221	11.20945225	10.81104545	12.10794212	13.44261287	11.43583672	12.99246739	15.47855348	13.45607608	14.84632712	13.68514384	11.48447931	13.40901489	11.16117067	9.173335845	12.09170168	11.01589274	9.586607531	12.11863064	10.53886127	8.882419619	12.30084704	10.77497181	13.2480772
beta-Alanine	0.461857825	0.219001544	0.233398682	0.187339665	0.164701581	0.352542345	0.229932297	0.282477856	0.223183417	0.296411206	0.412429775	0.325774449	0.390172035	0.481481739	0.303424772	0.220645003	0.18030257	0.380569336	0.324754253	0.277644547	0.228966848	0.23725534	0.215586657	0.215965707	0.19477213	0.340099641	0.467723164	0.49311716	0.374967061	0.503391405	0.45086549	0.364946457	0.48935519	0.438105178	0.407128979	0.449836773	0.397822167	0.347669014	0.387432982	0.346951589	0.372317273	0.519516104	0.477442215	0.447853799	0.493969479	0.616187176	0.431953789	0.482188057	0.521903881	0.526566511
beta-Aminoisobutyric-acid	0.008225942	0.004642971	0.005741747	0.004838346	0.004283177	0.007125367	0.005568865	0.006150519	0.005318191	0.007184644	0.007488259	0.007475571	0.006712178	0.009593341	0.008071971	0.004226043	0.004358454	0.007407181	0.007433815	0.005217856	0.005261699	0.006661908	0.006182235	0.006807516	0.005432957	0.007567243	0.00890053	0.006334517	0.006401826	0.006882198	0.00879684	0.008406612	0.00867994	0.008443105	0.006818786	0.007743943	0.007555422	0.005734946	0.007349295	0.006775563	0.007122118	0.008739452	0.009857588	0.008197218	0.009213916	0.010872138	0.008797237	0.009860272	0.010130667	0.010828909
Carnosine	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
Citrulline	0.257264009	0.309077553	0.324677257	0.232673918	0.264211664	0.367326723	0.228918739	0.336657891	0.324150843	0.351463526	0.444075359	0.378092509	0.332377086	0.406493163	0.340449786	0.252112815	0.260008507	0.390060698	0.391849117	0.362417914	0.293659954	0.359535488	0.272875467	0.294983506	0.31596331	0.393102459	0.430440028	0.484724807	0.424128246	0.456154282	0.456499145	0.362510278	0.452510871	0.535027829	0.427409719	0.462106375	0.407543953	0.326000305	0.414628759	0.399389508	0.330415949	0.446039081	0.434880133	0.401304459	0.482066372	0.376056144	0.398153338	0.482450071	0.436219302	0.55061155
Cystathionine 1	0.122825802	0.077035397	0.102099913	0.063467236	0.060188144	0.179697444	0.086455403	0.118237869	0.115908713	0.127633319	0.070953814	0.094984547	0.082580169	0.082523887	0.079593016	0.033649537	0.070445526	0.097869076	0.092273923	0.08651687	0.081603284	0.12010444	0.086133413	0.114897404	0.101008252	0.08563217	0.114119348	0.072337416	0.045536811	0.064491198	0.106796614	0.097857335	0.131329865	0.109137113	0.095039443	0.09487088	0.151231769	0.126588232	0.121680996	0.09841106	0.083899685	0.105506283	0.0856099	0.075904451	0.106117031	0.103925305	0.058984739	0.100868258	0.100008381	0.120330609
Cysteine	5.297391152	6.769636087	5.866953183	6.027409784	5.372440023	7.732269186	5.741121529	7.14428645	7.043388704	6.713399753	7.673019136	8.199027337	6.505606555	6.341457416	7.12475807	5.340206797	5.109134032	6.52362643	6.15670123	7.27214495	6.264908478	7.001794346	6.360677993	7.767379397	6.983003417	6.91645446	8.650883369	8.185376948	6.524018161	7.389399782	8.464282313	7.339461879	8.910774499	9.67945843	8.17871131	8.043923923	9.111085468	6.427777947	7.606163324	7.66219189	6.334785837	7.388982849	7.782953838	6.64802793	8.403966967	7.428815797	6.030610502	8.098643766	7.311787591	9.031920376
Ethanolamine	3.494805875	3.681566274	3.717429367	3.419417693	3.660919932	4.554523251	2.949691057	3.924716428	4.065380465	4.69289687	4.306581223	5.549760411	5.217784475	5.274507288	5.475987003	2.595937945	3.816175908	4.717461562	4.63458265	4.830171141	3.681293937	3.703161245	3.193229816	4.238593844	3.885905727	4.262772735	6.379334798	3.955854293	4.329491094	5.067712756	4.847695162	4.173835538	4.515676295	5.539573472	4.735399954	5.17152937	4.98571839	4.353300111	4.349336316	4.267048937	4.3419861	5.801483377	5.634078582	3.433662945	6.196922162	5.225515345	3.811765448	5.867571616	4.797026294	6.028618442
gamma-Amino-N-butyric-acid	0.286141184	0.213585658	0.196901764	0.204773755	0.186488175	0.279480861	0.252704479	0.241904752	0.196850061	0.288055802	0.354970066	0.297676013	0.354660951	0.450562674	0.395591239	0.290971567	0.253455572	0.352036945	0.265651917	0.293715326	0.254272234	0.274175029	0.275150338	0.308035054	0.286681946	0.23729316	0.369953729	0.304283606	0.26178534	0.321553256	0.26023853	0.228558005	0.339218603	0.298167797	0.207021454	0.283523661	0.24572317	0.215378551	0.334419934	0.203512931	0.190994968	0.352979072	0.225100093	0.246128524	0.282140315	0.308675052	0.237916075	0.263203618	0.251681039	0.268966656
Glutamic Acid	39.27623352	31.79194828	29.00584083	28.60287912	27.07142629	38.02009216	29.71351454	36.47563564	31.75481211	40.21421546	38.17306249	36.8418883	38.30940411	40.44738565	33.78225089	29.75332757	24.6609377	34.89487984	33.41556805	31.89786487	32.4865951	34.02294358	32.37345724	35.18271459	32.12398568	30.81471669	40.57800659	45.69269421	35.12423393	39.4983105	41.67712335	36.69206095	42.84435424	42.25560514	40.29512561	41.64095663	40.37532776	36.55426936	38.09808649	36.22298813	28.91844535	41.44379248	34.00601854	36.06235929	36.904068	35.99630698	34.26234819	34.69631944	34.56301586	39.9423862
Glutamine	5.088085808	5.079933067	5.176214308	4.662950887	5.135117264	5.456959097	4.669051403	6.116911086	5.724075	5.75780281	6.178699495	6.578462818	5.788348295	5.595939879	4.825784647	6.151397918	4.699383657	5.231966673	5.728937571	5.768720993	4.714568486	4.584196766	4.715954079	5.184920203	5.497896652	6.17676786	6.433953561	8.067895539	6.199044963	6.451958993	6.567074198	5.53679902	6.342534393	7.245032009	6.70444064	6.772114625	6.149755583	5.534994492	5.806097728	5.397874365	4.769923091	5.763802414	5.376929175	6.352666325	6.125453486	5.034930675	5.670718375	5.984660672	4.986037852	6.62195573
Glycine	29.48738313	29.77195482	26.04199621	26.41146588	26.77660093	33.99327767	26.10538858	32.74566781	32.04174644	36.27487415	32.27586783	33.9043754	33.19074557	35.05264781	33.28433384	23.41342739	24.17812466	29.92822525	30.88982605	31.7382163	30.42347385	33.3596232	28.95134325	34.64902012	30.88635771	31.61219375	38.42755946	38.91872867	32.01730397	37.2561803	38.98164295	34.94288752	41.97629288	42.51966486	37.52624021	41.8760444	40.04296254	33.50048892	38.72885605	33.54100194	29.54934961	38.29002831	35.58476438	30.95802708	38.0712268	33.19176145	30.19581743	39.26128313	36.29792635	40.91747687
Histidine	2.758854556	2.768660358	2.311395403	2.561294294	2.616021507	3.140103079	2.723839631	3.546250499	3.582057986	4.060567358	2.91204726	3.083398913	2.672595197	3.008778444	2.956507367	2.343201214	2.210730243	2.808693051	2.947160764	3.19550393	3.429439904	3.767721314	2.808027258	3.579262922	3.664372023	2.050158467	2.473328756	2.641075968	2.142886867	2.12820358	2.440769398	2.413053447	2.978760172	3.161225079	2.844789715	2.839561224	2.826512765	2.009846953	2.535398086	2.260539549	1.757147993	1.98944209	1.938946181	1.753001137	2.092152972	1.796119392	1.511008831	1.90907917	1.773990894	1.760608281
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	0.008639708	0.004902902	0.004614642	0.006121846	0.009893894	0.00688428	0.012844026	0.008429473	0.011605394	0.010494272	0.008633671	0.010820996	0.003802101	0.00480206	0.008686812	0.00149427	0.005836992	0.008993646	0.006862	0.006063209	0.014602654	0.008762815	0.005110981	0.011212204	0.015109225	0.008233033	0.006049437	0.003546992	0.003478772	0.005628941	0.005737387	0.005609723	0.005809922	0.010023152	0.005454486	0.005689486	0.005985193	0.005281395	0.010706934	0.0043589	0.004470709	0.006146008	0.007461196	0.006806646	0.010814587	0.007636507	0.006120051	0.006496545	0.007808434	0.00901406
Hydroxyproline	0.347004211	0.23361346	0.259767929	0.236044089	0.269769585	0.378914968	0.260333376	0.306926727	0.363471216	0.366573566	0.24051434	0.220843747	0.194557368	0.251767529	0.203953557	0.149607695	0.13738684	0.234830772	0.190769145	0.193681765	0.321358477	0.422577103	0.272651367	0.30900898	0.303870306	0.146655796	0.175840442	0.16515353	0.131791378	0.165292601	0.250861697	0.227722998	0.276135122	0.279934754	0.257589339	0.236042116	0.233370325	0.227217504	0.210892977	0.23060154	0.171118806	0.17421889	0.160999616	0.172551567	0.197740545	0.20705882	0.152951561	0.161401433	0.17138967	0.168373971
Isoleucine	3.20479837	2.567635877	2.401339643	2.693570576	2.630927908	3.262950197	2.695229	3.426447012	3.195708644	4.034205188	2.876489491	3.365848322	3.191103326	3.299909082	2.912895032	2.251997937	1.924879771	2.606456952	2.978863354	2.815135938	2.945450212	2.94732892	2.836912815	3.706504917	3.308965703	2.475247573	3.764222169	3.471949122	2.572820087	3.060565296	3.691419916	3.243232157	3.733080509	4.6366197	3.547944243	3.736511327	3.743742996	3.07769333	3.995493596	2.933872771	2.31901196	2.864422866	2.961730297	2.799929198	3.006304545	2.694413901	2.508544316	3.205232376	2.796640479	3.592917361
Leucine	8.217778479	6.617042706	6.211045059	6.997284366	6.901592012	8.547091015	7.155038976	9.011010579	8.396475349	10.41527081	7.560161933	8.458168833	8.030465755	8.242874294	7.330169457	6.143655319	4.911713887	7.138104016	7.779525122	7.348219018	7.523882109	7.572192027	7.221864562	9.530911057	8.632327351	6.866917821	10.70652332	9.626028267	7.315071778	8.091380257	10.15913265	9.316692917	10.27696153	12.1996603	9.44641039	9.796639768	9.983721977	8.808297065	10.75142444	7.760423724	6.501883138	7.540617039	7.50441894	7.834029914	7.888820707	7.138916479	6.714759376	8.216406048	7.409420924	8.803877541
Lysine	6.184991948	5.307454472	4.705633813	5.247376875	4.657411158	6.320089364	5.468834908	6.740406084	5.839838878	7.256797256	5.052979604	4.983138517	4.462852455	5.462356056	5.203641147	3.332420355	3.399345182	4.478580192	4.857904185	4.842689716	6.198031583	6.279068591	5.927932851	7.305088847	6.660700487	4.005710669	5.817952902	5.05279616	4.024439539	4.338837698	6.94027929	5.989617438	6.914065494	7.206241252	6.254934697	6.67445299	7.104601791	5.274646991	7.311459134	5.75808337	4.185057665	4.530927736	5.275457291	4.364241964	5.345353182	4.963430938	3.697396715	5.048736647	4.56407915	5.662710663
Methionine	3.255936908	2.817685667	2.461912328	2.963418818	2.875680611	3.628385969	3.008420553	3.602620537	3.511963252	4.505915511	2.921204671	3.401280645	3.324945931	3.515892278	3.220885011	2.459226253	2.094259227	3.073374898	3.050430238	2.873848661	3.138399753	3.301587204	2.993644157	3.800017236	3.553525761	2.792471678	4.421003725	3.761135914	3.045457624	3.248032613	4.102501859	3.879343477	3.906493442	4.983155669	3.711955749	3.930416322	3.650605388	3.395722098	3.878983203	3.165641715	2.484776433	3.23161577	2.960164182	2.964691834	3.026417199	2.782978757	2.52341647	3.103307659	2.837635576	3.623199885
Ornithine	0.516732091	0.414077386	0.40166881	0.49831327	0.453688175	0.723315873	0.439361157	0.492956808	0.55472952	0.555255903	0.338261209	0.364106613	0.416808235	0.433049218	0.35408494	0.198078762	0.285028475	0.390162706	0.415320026	0.429098651	0.420920696	0.555913864	0.394782899	0.527576767	0.545453528	0.267235414	0.332482084	0.296551735	0.261665874	0.325883954	0.493174415	0.561322048	0.545077672	0.662930107	0.532194948	0.540740952	0.529378277	0.510018907	0.45339081	0.465269588	0.332601049	0.390908642	0.380117722	0.244118991	0.400260259	0.334479182	0.264614858	0.359458636	0.340174175	0.381476244
Phenylalanine	4.069632573	3.125543688	2.925082553	3.365837109	3.304170474	4.079322289	3.258353915	4.303935484	4.097818898	4.995391916	3.430914656	4.015307218	3.719708909	3.862373249	3.540221493	3.025326014	2.349057187	3.439793089	3.545360214	3.38201864	3.623178732	3.728171934	3.442178794	4.521971803	4.123931923	3.269866068	5.266527577	4.690374477	3.305331976	3.861053535	5.100218939	4.58443151	5.04171338	5.941785431	4.742967896	4.998079981	4.617643521	4.386711395	5.186001826	3.901103474	2.880403752	3.562925845	3.396137128	3.414049387	3.56117526	3.351480059	3.065643206	3.649811582	3.425432648	4.09533157
Phosphoethanolamine	13.45923943	16.91704688	15.95278813	16.85386149	18.60897359	19.46315109	13.49233832	16.6537715	15.35514091	19.885316	15.44112105	15.3394485	18.68122381	19.61786403	17.05437505	15.06288871	13.18719495	15.7898335	16.36870409	18.86124743	17.78065539	18.00189751	15.1127292	16.454968	18.44771805	6.236253647	7.164023505	9.513521879	8.435914551	8.154772156	6.296640818	7.103308134	7.613127454	6.535528695	6.88156047	7.962232397	6.574361114	7.997922281	6.365452498	5.957692124	6.387119021	8.117833202	7.103669667	9.256745128	8.315218683	6.462784242	7.676816388	7.893086807	7.198737921	7.236972709
Proline	5.649430138	4.796735654	4.038368766	4.745270119	4.740540027	5.64159138	4.99596975	6.43209449	5.852734485	7.340934638	5.744800374	6.280939277	6.189676401	6.738987601	6.109777997	4.059740444	3.81942476	5.943936778	6.119943061	5.298871492	5.569693528	5.377312498	5.055988089	6.400595408	5.913331486	4.817463319	7.42014138	6.922298045	5.29526597	6.256288181	6.980658971	6.161246545	7.357430645	8.095701012	6.744022123	7.046431421	6.994452136	5.957751038	7.35231273	5.992154439	4.810679654	6.429840939	6.06457334	5.21736622	6.339432469	5.320014525	4.906584716	6.322949335	5.929738729	6.88600275
Sarcosine	0.043104346	0.019011609	0.025072767	0.016408356	0.019574877	0.039491411	0.012284173	0.022202358	0.020091338	0.0307996	0.026909083	0.021908275	0.028609757	0.03472894	0.018607383	0.016213234	0.017221472	0.030525636	0.025232221	0.020894237	0.018713744	0.021134069	0.016348218	0.021628082	0.015297128	0.025872619	0.026919804	0.028323017	0.021244932	0.03289749	0.025808155	0.021226802	0.021640375	0.02529417	0.027228893	0.035398698	0.027460188	0.030447704	0.021851021	0.022445371	0.02641881	0.024171781	0.030740241	0.025987788	0.032248818	0.042397263	0.028279697	0.033506193	0.036799029	0.033133967
Serine	12.65779619	10.80706179	9.96999457	10.64496168	10.68073533	13.50183532	11.2014732	13.96705219	13.42414733	15.58360848	12.26531522	12.93676599	13.3637494	13.53057307	12.45233692	8.953179207	9.181166038	12.62167861	12.68842974	11.9942282	12.88434661	11.83211724	11.43988344	14.9725344	13.68929031	9.962015427	14.29673317	13.56644302	10.08071333	12.14980794	13.93185039	12.11010685	13.96802417	16.52920829	14.0505742	14.93031342	14.31464559	12.43216685	13.57701419	11.60623085	9.874777077	12.89224607	12.43526379	11.06825259	12.53748319	10.12077781	9.333779058	12.41546736	11.3843349	13.93020661
Taurine	26.21898478	30.7618876	28.08186645	28.75999717	28.61669358	31.25459364	25.77034859	32.17269049	32.49463228	37.46336414	31.12901377	32.73198656	31.84938886	33.31942083	30.60830119	23.53314971	23.40487823	28.48758965	31.40286409	32.57893914	33.03774688	33.66259572	28.28692242	35.10386033	31.7397811	36.72695657	37.16073339	39.06643272	34.2437579	35.77368379	40.10009239	32.30717064	39.49785236	42.15550559	38.94266809	40.34155568	40.0208303	32.22384887	41.78892335	33.01680561	30.26870964	36.57651516	33.99965699	31.96675283	37.17182235	33.69782616	29.59047848	39.5192986	35.34001072	38.24299657
Threonine	6.601384009	5.534576322	5.223570202	5.614927141	5.582432246	6.711029712	5.361642178	6.976857242	6.756646667	7.646267094	5.720452724	6.279294687	6.119897289	6.529313737	5.619303412	4.307098444	4.194008337	5.921574696	5.786233331	5.715933524	6.039084405	6.445815396	5.832602161	7.269825768	6.641500074	5.142122065	7.515855362	6.814760848	5.274680705	6.070149825	7.561134898	6.946477594	7.900529049	9.248300068	7.649646723	7.801050707	7.619971756	6.528031938	7.402277242	6.35603912	4.539292104	5.835482038	5.906588905	5.561879835	6.118461013	5.507191701	4.848388138	6.152015538	5.77670838	6.680010212
Tryptophan	0.982567822	0.853358871	0.818091835	0.808603002	0.852527285	1.064228851	0.77868807	1.139962149	1.087944779	1.180258449	0.903975623	1.100548704	0.987182352	1.06646178	0.939375919	0.837308032	0.66511409	1.001916036	1.005952989	0.97275166	0.939345184	0.994091711	0.892711611	1.113272807	1.024190412	0.765360273	1.133837826	1.157837352	0.846370968	0.913643277	1.135979546	0.961009653	1.146368979	1.404742396	1.102763138	1.119744295	1.107825675	0.975855415	1.087565681	0.962906044	0.755536741	0.914028656	0.971208109	0.899338725	0.97089627	0.859934966	0.787389149	0.945053744	0.927142102	1.070625652
Tyrosine	3.669816338	3.249626258	2.995289741	3.431962789	3.348416898	4.28094738	3.383608905	4.181075455	4.089298449	4.866729275	3.377787911	4.072386148	3.774981804	3.632553233	3.554291287	2.878112195	2.38311286	3.301889063	3.539921194	3.539243919	3.408083419	3.737136402	3.415189768	4.162385236	4.04957164	3.102681123	5.033848289	4.410203269	3.150938834	3.765579834	4.778977448	4.222574677	5.057248274	5.84927579	4.587518076	4.777219525	4.660124102	4.229565892	4.845473625	3.867833335	3.00262513	3.647078831	3.56195314	3.402431828	3.55910385	3.116129504	3.04331969	3.657004545	3.548550208	4.208505827
Valine	6.003469741	4.947988395	4.754495847	5.08198376	5.029971678	6.010450132	5.049068464	6.365217004	6.038064778	7.663718082	5.328958981	6.10734725	5.856156167	5.90104778	5.263843003	4.180034801	3.813552102	5.362974182	5.84997824	5.438860852	5.415616778	5.114865115	4.834271874	6.374185785	6.17944451	4.743182154	7.010041589	6.924629338	4.966401147	5.449513731	7.443012986	6.443056983	7.471104165	8.693204111	6.75614091	7.544441372	6.850244043	5.749684338	7.582246056	5.408521179	4.522730945	5.388606795	5.289984315	5.285431369	5.713176069	5.044754429	4.787629762	5.949605003	5.282561997	6.717028861
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