#METABOLOMICS WORKBENCH efahy_20230425_000028 DATATRACK_ID:3923 STUDY_ID:ST002608 ANALYSIS_ID:AN004280 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 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	90217016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_25.RAW
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_26.RAW
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_27.RAW
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_28.RAW
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_29.RAW
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_30.RAW
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_31.RAW
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_32.RAW
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_33.RAW
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=21dec20_34.RAW
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_35.RAW
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_36.RAW
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_37.RAW
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_39.RAW
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_40.RAW
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_41.RAW
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_42.RAW
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_43.RAW
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016611	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_44.RAW
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016611	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=21dec20_45.RAW
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016611	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=21dec20_46.RAW
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016611	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=21dec20_47.RAW
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016611	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=21dec20_48.RAW
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016611	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=21dec20_49.RAW
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016611	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=21dec20_50.RAW
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016611	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=23dec20_26.RAW
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016611	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=23dec20_27.RAW
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016611	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=23dec20_28.RAW
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016611	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=23dec20_29.RAW
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016611	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=23dec20_30.RAW
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=23dec20_31.RAW
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=23dec20_32.RAW
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=23dec20_33.RAW
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=23dec20_34.RAW
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016611	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=23dec20_35.RAW
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016611	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=23dec20_36.RAW
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016611	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=23dec20_37.RAW
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016611	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=23dec20_38.RAW
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016611	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=23dec20_40.RAW
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016611	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=23dec20_41.RAW
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=23dec20_42.RAW
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=23dec20_43.RAW
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=23dec20_44.RAW
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=23dec20_45.RAW
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016611	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=23dec20_46.RAW
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016611	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=23dec20_47.RAW
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016611	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=23dec20_48.RAW
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016611	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=23dec20_49.RAW
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016611	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=23dec20_50.RAW
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016611	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=23dec20_51.RAW
#COLLECTION
CO:SAMPLE_TYPE                   	Lung
#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	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
1-Methylhistidine	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.042234404	nan	0.057823358	nan	0.05229498	nan	nan	0.022298064	nan	nan	nan	nan	nan	nan	0.024618238	0.334713723	0.038317458	nan	nan	0.046545755	0.033707825	0.104888034	0.15108621	0.158845211	0.202920087	0.102599699	0.016503666	nan	nan	nan	nan	nan	nan	0.023981188	0.016416674	0.049748671	nan	nan
3-Methylhistidine	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.126018896	nan	0.188581651	0.252124003	0.164339045	0.132915962	0.067777974	0.139819957	nan	0.113868594	nan	nan	0.054401719	0.106620087	0.060522173	0.217675456	0.122292386	0.118384979	0.064135668	nan	0.032240708	0.057968968	0.06420086	0.080495703	nan	nan	nan	nan	0.072107648	0.035184272	0.12780283	0.148049137	0.116825235	0.041690711	0.062543388	0.149556482	0.124078564	nan
Alanine	8.202927001	5.785086543	6.516229128	6.793436492	8.56823665	8.666402387	6.828673317	6.194991749	7.918959443	4.42851313	7.461091988	5.366882388	7.575897281	6.166336464	7.872176929	7.70395193	7.116532289	6.68932518	4.103415727	6.976924936	5.113000312	5.526264369	5.815356912	5.213258625	4.099821672	6.358882908	5.106522129	8.954663949	5.009710336	6.704802683	5.400007548	6.500384255	6.279695522	5.500250734	6.950705431	6.060093377	7.263420179	6.191559309	4.579488886	4.977712284	6.794086201	4.930861542	7.181831409	6.486508447	7.232265807	4.671887104	5.060927865	5.082583161	4.349463883	5.392379034
alpha-Aminoadipic-acid	0.041906473	0.031378907	0.030613136	0.033589332	0.042583242	0.036775295	0.03510569	0.037274561	0.047547907	0.026763556	0.043694996	0.027706203	0.034968686	0.032649299	0.042874665	0.035396378	0.032758929	0.031014914	0.025727686	0.034064244	0.032622135	0.035287822	0.03640711	0.031944013	0.026010759	0.034333886	0.023326187	0.034143766	0.023357134	0.028216415	0.032424187	0.031348735	0.035662847	0.030529304	0.033003073	0.03397282	0.040646084	0.033936878	0.022062306	0.025459043	0.032835885	0.025421898	0.037786603	0.037385686	0.042262226	0.028445795	0.027858703	0.03151372	0.025628432	0.034195071
alpha-Amino-N-butyric-acid	0.046500637	0.042509385	0.033310444	0.042192664	0.03962157	0.031973574	0.054956786	0.042210805	0.035270814	0.026264294	0.229019111	0.117703935	0.168529783	0.201270319	0.205430093	0.065600513	0.03881252	0.026525777	0.104856438	0.065126747	0.038496494	0.024639142	0.063384519	0.044820745	0.030844136	0.085812174	0.087853071	0.052256172	0.052330207	0.070262222	0.04046968	0.047233154	0.040106008	0.042117784	0.053996632	0.068046543	0.033345039	0.079473408	0.030534976	0.04116004	0.1704354	0.088579457	0.215863984	0.16731108	0.148872889	0.165770904	0.114021438	0.172471639	0.103152043	0.17028844
Anserine	0.009208175	0.00684278	0.008948072	0.010907994	0.023081985	0.019942408	0.015882254	0.006259373	0.007844371	0.010117156	0.008102041	0.003438919	0.00680795	0.00477719	0.005528744	0.016804318	0.002898044	0.006931617	0.005522814	0.006032088	0.004235981	0.007280963	0.014334861	0.006239873	0.007621294	0.004389377	nan	0.011773314	0.001398177	0.003072308	0.00393873	0.004661211	0.00329358	0.003000216	0.004762822	0.002853428	0.001836856	0.001588836	0.003800029	0.002159628	0.004230582	0.002065125	0.268314776	0.000959243	0.002186738	0.004354922	0.00237345	0.013027409	0.002154126	0.002114721
Arginine	2.273857717	1.756323608	1.78891392	1.989208748	2.904604063	2.418178449	1.906592001	1.789873263	2.589735374	1.294247324	2.344113871	1.381798417	1.999281705	1.718012837	2.151397245	2.019225453	1.953853394	1.737744472	1.264192409	2.146079042	1.462653013	1.734856934	1.838742099	1.529466219	1.33406744	1.852580946	1.474046228	2.035847504	1.400132615	1.845781863	1.531618495	1.706194893	2.091122488	1.735540817	2.316087881	1.558716212	2.153717924	1.711304376	1.11927726	1.273911438	1.307432631	1.283398132	1.939327152	1.669595561	1.655182533	1.085724406	1.300518752	1.241099976	1.300806627	1.732711875
Asparagine	1.913021714	1.337670716	1.425640106	1.547120845	2.009075331	1.85077656	1.613320069	1.57186335	1.963226085	1.055990714	1.728284858	1.231896186	1.665814123	1.417269947	1.538898874	1.616365796	1.543510324	1.465013004	1.005156855	1.650693635	1.05877743	1.30495759	1.334667626	1.18617855	0.980332833	1.668248427	1.26401208	1.98002552	1.176022749	1.710548019	1.394988684	1.670213688	1.671749486	1.411685561	1.865020228	1.489894945	1.958366074	1.48915613	1.072884304	1.19971411	1.339589262	1.107197467	1.948541663	1.604844193	1.517681803	1.001146624	1.314488485	1.20661807	1.022048711	1.550746707
Aspartic Acid	4.314840682	3.557975071	3.486975956	4.029675373	4.339074995	3.538871054	3.806635811	4.425710771	5.468069297	2.58140515	4.623739201	3.325205224	4.114171337	3.769714642	4.90992342	3.977669584	4.099313784	3.11910303	2.592738577	3.922533972	3.118423359	3.31897582	3.828891449	3.707400067	2.76395171	3.86385949	2.761166625	3.995774943	2.941798274	3.845504303	3.762196022	3.323013783	3.600572131	3.471879267	4.023034081	3.533726767	3.914686931	3.72182808	2.212589541	2.783114655	2.645903957	2.454227987	3.642627733	3.201763715	3.418486568	2.12018568	2.455341172	2.493310999	1.895067545	3.160723071
beta-Alanine	0.221146275	0.141039818	0.140331319	0.176892475	0.250186353	0.224350888	0.20775158	0.17656772	0.252443727	0.118380061	0.197980176	0.146337362	0.189706892	0.160284196	0.183553713	0.177487751	0.155045147	0.1406409	0.097850987	0.148709824	0.123464471	0.15518815	0.182067798	0.148087061	0.099901843	0.137961653	0.100920992	0.16682723	0.068928672	0.143402301	0.159806006	0.191691562	0.187158868	0.183107394	0.202914872	0.190216007	0.221485616	0.181821747	0.121822348	0.145826647	0.122835794	0.117990994	0.197508072	0.160984677	0.177429016	0.110447867	0.160074645	0.131931818	0.114268666	0.170427154
beta-Aminoisobutyric-acid	0.004455315	0.004483901	0.004619895	0.004538092	0.004552155	0.004742809	0.004529384	0.004548828	0.004667023	0.004560147	0.004718759	0.00457264	0.004448137	0.004665754	0.004583264	0.004619937	0.004605832	0.004566883	0.00458638	0.004432118	0.00454017	0.004486366	0.004576813	0.004501763	0.004442698	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	0.005390233	0.003113168	0.004053291	0.005047814	0.011175378	0.009447552	0.008760395	0.003775046	0.004558827	0.00434819	0.004728524	0.003117878	0.004212791	0.003920136	0.005351326	0.0079579	0.003592025	0.008179052	0.006636931	0.004857514	0.003309368	0.003943691	0.008257798	0.006042127	0.00316158	0.00386588	0.002812724	0.008789813	0.00379813	0.003953829	0.005512456	0.005883347	0.004416572	0.003720746	0.003571646	0.004688548	0.005023637	0.003904792	0.003876255	0.002744451	0.003641023	0.00290372	0.067740367	0.005228	0.004690415	0.002934746	0.00607829	0.005263845	0.00302893	0.003207927
Citrulline	0.330021375	0.22783742	0.310917795	0.316915401	0.379146888	0.383869425	0.314011483	0.255936124	0.357760191	0.197865137	0.472331083	0.35081287	0.469944476	0.412564391	0.469845461	0.436389243	0.401758044	0.424155552	0.268056034	0.380563693	0.217858654	0.280814979	0.276308622	0.235466065	0.187332094	0.355098345	0.283043895	0.437774611	0.359262654	0.36840633	0.222895806	0.26287102	0.250623716	0.25863468	0.248271949	0.244001115	0.296007653	0.271341883	0.172360065	0.184157869	0.326991382	0.242627438	0.539335478	0.38349152	0.404415355	0.203775748	0.354153931	0.303952739	0.257380842	0.378475612
Cystathionine 1	0.003721913	0.002794024	0.002592089	0.002387004	0.003377296	0.004425267	0.003630938	0.004552967	0.004480908	0.002884096	0.004350215	0.003903072	0.003424994	0.004911216	0.003921313	0.004575004	0.005094229	0.004884138	0.002888251	0.004259999	0.001916535	0.002626543	0.004722951	0.002613448	0.002670747	0.004378301	0.002871475	0.003544252	0.002767041	0.004149964	0.003990126	0.003998013	0.004025099	0.003519298	0.003576049	0.002656173	0.005734803	0.003585141	0.002124371	0.003044215	0.003928192	0.003388854	0.005910026	0.003976627	0.005609483	0.001507693	0.004564454	0.002559016	0.002805716	0.003135415
Cysteine	0.183541656	0.106628926	0.095708201	0.215227877	0.174962013	0.139689526	0.130708684	0.090032746	0.132176408	0.074141016	0.181361343	0.101309625	0.255383083	0.131899	0.173623608	0.192126525	0.201091867	0.131650825	0.094037849	0.13680867	0.098163547	0.107465114	0.119198739	0.122539845	0.064443078	0.110119065	0.172096513	0.232133306	0.261964655	0.144745116	0.066295625	0.182080856	0.057924271	0.102290801	0.176284259	0.103983504	0.131787945	0.096282949	0.075321439	0.085943723	0.100462612	0.095801566	0.163102946	0.159171374	0.215090213	0.054257276	0.080995253	0.085284081	0.095747301	0.105854557
Ethanolamine	0.801707294	0.587742892	0.692932329	0.790413906	0.974879697	0.93952931	0.603717824	0.671293133	0.865187851	0.516374292	0.797087474	0.639663552	0.944710972	0.710753212	0.886872853	0.8777995	0.599297169	0.563099252	0.44034508	0.567331762	0.534593209	0.667766433	0.548095179	0.602624139	0.457122037	0.756427976	0.61021284	0.900900297	0.569440331	0.773903544	0.633349211	0.688362586	0.388591557	0.65318906	0.708196524	0.681590144	0.794504927	0.734593254	0.404200826	0.590192325	0.619409849	0.639549053	0.914941047	0.754086218	0.838004218	0.455718246	0.588008414	0.58882547	0.472627386	0.78089966
gamma-Amino-N-butyric-acid	0.033788215	0.020201158	0.020215093	0.026772013	0.028432871	0.030649356	0.026612428	0.024700859	0.031494675	0.019973146	0.030388715	0.023137485	0.027892392	0.024861771	0.026993864	0.02689079	0.024512649	0.022177046	0.016399674	0.024844384	0.018665999	0.018286238	0.024227297	0.019513024	0.016006119	0.027843788	0.027387808	0.029424169	0.020757724	0.028554905	0.023845518	0.029278317	0.026862816	0.023080835	0.028358929	0.025365	0.03265871	0.026456107	0.01861585	0.020890816	0.023449081	0.024151976	0.026621351	0.029527037	0.030589582	0.015957063	0.023701517	0.021722791	0.017067474	0.024332414
Glutamic Acid	12.70518741	9.50046826	9.62565872	10.40403033	15.28362855	13.54102793	11.31916853	11.34487975	14.23253923	8.578121138	13.22009159	10.41082718	13.60358294	11.05573688	14.08212532	14.47489244	13.44338253	11.57575303	8.655593802	13.51667364	9.157482568	10.73421676	11.67364627	10.11509971	7.652719886	12.50757087	10.23277839	15.77659161	10.55680097	12.80736186	10.25798897	11.95779666	10.78827623	10.03821277	11.71448099	10.7949141	14.0503972	11.46963009	8.028723843	8.247990654	10.37498247	9.653734956	12.85109967	11.75546174	12.32292234	7.154104046	10.21432661	8.843462387	8.46540909	10.97259711
Glutamine	9.908908823	7.514288735	8.043080904	9.500410738	10.51991443	9.574522465	8.695911607	8.245544457	10.23282764	6.482089979	9.940287538	6.900804525	8.379557314	7.399832675	8.567186346	7.809123657	7.251539763	7.58258251	5.38056129	8.39497773	5.809587169	6.132662036	7.798470683	6.933690112	5.782632838	9.058764817	6.972822078	10.38201672	7.542395953	8.990105964	8.598114811	9.206862649	9.409168903	8.429229753	9.801195408	9.11881479	10.27052696	8.513068833	5.871439979	6.750675192	7.990383957	6.689148427	10.76458944	8.262319837	8.601745662	5.543361606	7.045776238	7.172464752	5.278948534	7.515408172
Glycine	32.12721622	26.76313665	29.11806765	35.9551527	39.64394902	36.2544921	29.54179855	30.78728172	38.28388557	23.7858284	34.8953981	25.61794111	32.96997583	29.83128128	37.33184563	31.60405281	29.3689354	27.92869648	21.96794721	34.38905341	26.51560999	29.21175939	30.70115032	26.94379946	22.65207334	32.86732508	28.0177443	42.59972068	24.8381881	30.81225783	29.05552351	31.328625	31.51458841	26.87056206	34.98509005	29.58231792	36.62510941	32.61373201	21.33673244	25.32604697	27.21628864	23.10656923	34.72373837	30.2189249	34.07298961	21.6470968	26.28126094	28.39426181	21.64399599	32.60218008
Histidine	0.798429899	0.623664792	0.668564114	0.808176673	1.024662347	0.858679024	0.715296696	0.693533059	0.869287561	0.482839298	0.739002931	0.482828777	0.651301732	0.586901689	0.714256942	0.682399487	0.649680126	0.580280202	0.419362377	0.643287599	0.526973901	0.473161259	0.57361098	0.52597356	0.428020835	0.841859366	0.712620699	1.074652263	0.757424884	0.855287789	0.829643207	0.836736154	0.906637918	0.788314924	1.005007987	0.789234261	0.980736428	0.787429083	0.550323189	0.537251666	0.654796739	0.550950084	0.874409495	0.651951028	0.75633715	0.455235423	0.522058221	0.504945169	0.51799456	0.740495852
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	0.000490405	0.000188941	0.000213498	0.000225934	0.000436774	0.000405209	0.000329671	0.000382247	0.000240452	0.000241962	0.000525136	0.000181182	0.000387633	0.000645746	0.000712646	0.000635493	0.000349499	0.000457953	1.55535e-05	0.000422628	0.000276175	0.000283792	0.000526425	0.000274535	0.000279423	0.000412421	nan	0.000594696	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.000468648	nan	0.000527486	nan	0.000345741	nan	nan	nan	nan	nan
Hydroxyproline	0.235303672	0.180191122	0.18953799	0.256692562	0.270247894	0.242573104	0.231400378	0.204784382	0.282579566	0.151218748	0.20569129	0.153362234	0.155848226	0.141688239	0.215364152	0.167273643	0.166507353	0.154002583	0.108713849	0.15504322	0.208575103	0.206598031	0.201263692	0.17294864	0.14462093	0.172616309	0.137546373	0.190362325	0.124064968	0.152148839	0.194459868	0.210577429	0.228258279	0.182009535	0.209680403	0.187674545	0.240943165	0.18073566	0.140271474	0.170866312	0.158013145	0.127710428	0.205196546	0.166305292	0.173987963	0.111594319	0.140456577	0.131859383	0.136195092	0.177827932
Isoleucine	0.968578276	0.691167421	0.822933737	0.788743977	1.234344101	1.071716017	0.782066838	0.858181219	1.081327278	0.55247631	0.976189918	0.693855545	1.050533395	0.910171133	0.962134929	1.032544663	0.868556639	0.827490664	0.662318881	0.954829064	0.658705457	0.700696568	0.780848159	0.683206877	0.563604733	0.926766541	0.725356371	1.006015602	0.688949435	0.871791529	0.658799232	0.784504665	0.778156876	0.729978892	0.834545326	0.744670867	0.883324749	0.823464245	0.568010954	0.58457503	0.796882302	0.580694341	1.17381441	0.872188886	0.915489572	0.588505247	0.742944559	0.704366124	0.650860133	0.90679891
Leucine	2.587277984	1.79970277	2.023093712	1.876493012	3.084603371	2.498930326	1.982174809	2.145333752	2.706079621	1.326208413	2.404280158	1.631894479	2.388409733	2.036709332	2.246035908	2.30832618	2.07211265	2.025517531	1.502577956	2.285330702	1.59446078	1.679705308	1.896655459	1.597731135	1.354381754	2.194031135	1.725268798	2.457842163	1.65002916	2.14000798	1.674322524	1.964458741	2.145269188	1.870189099	2.157333548	1.855375064	2.2649641	2.018332095	1.48450011	1.482875706	1.901144129	1.426274703	2.569702015	2.10141363	2.168506757	1.423541716	1.7867107	1.661014529	1.479879086	1.976839531
Lysine	1.966641771	1.532756562	1.757518072	1.867715448	2.47378833	2.293222159	1.628182241	1.66227982	2.294305624	1.132634089	2.225555316	1.43874523	1.941143101	1.903392828	1.972210713	1.971970235	1.847475748	1.748865196	1.229298286	2.077731971	1.345794368	1.709856708	1.648165342	1.384222956	1.24921687	2.233589845	1.65852623	2.244534292	1.517720622	2.033951892	1.660553636	1.804565378	1.653908851	1.812131877	2.051199319	1.757150026	2.185449859	1.870685869	1.243200093	1.520986866	1.876753879	1.506132922	2.661207035	2.184111971	2.246810225	1.55042401	1.874385986	1.839813675	1.522829135	1.983605543
Methionine	0.95828642	0.672896165	0.727857191	0.723626787	1.069339288	0.906664433	0.746943231	0.787061852	0.954257544	0.492494659	0.825338375	0.558231247	0.810340531	0.709740226	0.78978081	0.78324417	0.745625654	0.685149386	0.496629617	0.764391643	0.597850531	0.654657033	0.712377253	0.57268978	0.511509707	0.742237627	0.577210729	0.837090893	0.551381169	0.718060681	0.58058842	0.732240232	0.730502299	0.663052205	0.742977441	0.640221473	0.844394675	0.711119681	0.503584573	0.553434521	0.565803362	0.450977506	0.82415288	0.690076223	0.714003867	0.448960766	0.55669334	0.553932968	0.471365605	0.648636426
Ornithine	0.179030369	0.130973725	0.15412267	0.181522165	0.222907075	0.359193498	0.150926433	0.16073429	0.186110203	0.120747662	0.145502521	0.118300627	0.169729195	0.128631208	0.174182494	0.218544186	0.13635766	0.135300491	0.090791349	0.13740549	0.118636146	0.139285033	0.115825461	0.132768329	0.104254746	0.187431206	0.117277903	0.206359675	0.121125956	0.153769	0.143146359	0.157709254	0.11876397	0.154189852	0.165279587	0.1445261	0.191589853	0.166643931	0.085772759	0.153086885	0.138128702	0.137889062	0.210975664	0.154866876	0.177267407	0.09692942	0.131365108	0.127454607	0.114081116	0.174348148
Phenylalanine	1.10337312	0.760837237	0.85321096	0.820361349	1.201653082	1.117459826	0.892956707	0.876456416	1.109053424	0.59149894	1.050002114	0.656845439	1.048466981	0.893435215	0.957104077	1.01838948	0.98868197	0.947643843	0.565468086	0.955783284	0.63682595	0.744921604	0.911485385	0.727228099	0.59173872	0.919430063	0.764365998	1.087772254	0.757249965	0.920125917	0.733311458	0.895475666	0.856477286	0.807338211	0.981201586	0.756168113	1.071363102	0.864865141	0.627318111	0.671663104	0.703980346	0.591104493	1.086977843	0.848614964	0.850910564	0.562199897	0.761552904	0.674779806	0.624615809	0.745680566
Phosphoethanolamine	9.002343948	10.72803197	7.355242555	7.924941996	16.5992387	14.97616287	8.741775873	13.83930051	16.59196019	9.124312559	17.0640171	9.844211971	12.37462187	11.47223105	17.51698833	13.77945097	15.18952426	11.5688633	11.66842763	20.81617924	9.360175555	9.754787505	12.15892706	10.65127784	9.207197189	13.95222454	10.77293268	18.26891842	5.723802685	13.18290495	11.23804369	10.98334889	17.68253625	11.35199995	14.33838958	12.33320073	15.74246563	12.66080851	9.4028301	9.633520008	13.24734254	9.81230552	16.75668548	12.68188407	15.45460576	9.686620841	10.58760145	10.61430384	11.43592066	15.61227841
Proline	1.627988798	1.154706678	1.339872495	1.421652466	1.817094706	1.845170205	1.343734759	1.376447206	1.772806047	0.950216769	1.590841746	1.050913665	1.369763073	1.264231424	1.404763483	1.509898429	1.43040399	1.328615961	0.861348748	1.476871764	1.017199658	1.194475323	1.168997085	0.978078447	0.901243708	1.417889816	1.113619199	1.78238969	1.064990256	1.447568723	1.15347361	1.366481035	1.346072339	1.254989374	1.414320739	1.240991973	1.680444498	1.320425001	0.874626276	1.020124433	1.162942413	0.980389829	1.625921798	1.353741302	1.41473006	0.882111389	1.119009163	1.049081245	0.927741924	1.274191928
Sarcosine	0.041752025	0.027237049	0.037261676	0.041536418	0.046771019	0.051210483	0.036095069	0.036306434	0.044271825	0.030221828	0.044393373	0.032435368	0.04392088	0.036558293	0.047628891	0.049618091	0.038772149	0.041653359	0.03806324	0.052933279	0.025796809	0.031067912	0.034204944	0.027713621	0.026063044	0.052387125	0.040614048	0.041423692	0.025562255	0.044649339	0.029816528	0.031236878	0.036531694	0.030861778	0.036816112	0.036570885	0.036798066	0.034708263	0.023354811	0.028984853	0.036610802	0.030252535	0.052269773	0.042275763	0.046924819	0.028878289	0.040102053	0.040123149	0.033372917	0.053500702
Serine	4.881323645	3.525495943	3.832624416	3.884869184	5.424792106	4.782498783	3.754158068	3.818970394	5.111254018	2.475099537	4.524282361	2.971892638	4.276317139	3.765043903	4.36518371	4.404611992	3.998551114	3.855497514	2.312144663	4.369214963	2.893647844	3.315738364	3.709492883	2.900614457	2.583551901	4.308823508	3.24676893	5.178764426	3.149371689	4.380393407	3.419674431	4.114601557	4.139801263	3.756697036	4.501785764	3.739150561	5.274870483	3.989586469	2.739980508	3.150280543	3.524238349	3.052695036	4.838194564	4.068268824	4.11638397	2.528416511	3.201923635	3.381519759	2.788941195	3.645604171
Taurine	27.94224111	24.10022114	26.20981207	30.6322453	32.70419764	30.3844477	27.15573047	25.52506022	31.55250127	22.23991101	28.45794458	22.84024112	27.85230525	25.96698095	28.26641087	27.42177768	26.7775298	26.45573339	20.01603724	27.97380273	23.00571992	25.41467475	25.83335353	24.36244032	19.01314786	39.22357665	30.41859778	47.48016679	33.84698276	36.19637933	31.62696274	35.40366277	35.70833043	30.53264881	37.0514183	32.55191951	42.74444325	33.83302841	24.52555469	25.57950268	29.80375566	24.64176109	39.98022399	35.10210822	36.8894275	23.51561222	30.74525829	30.08107017	24.79636814	33.82780088
Threonine	2.816303435	2.093167962	2.417459697	2.621077564	3.367825723	3.002670813	2.201132903	2.3845891	3.048716039	1.515527991	2.844737652	1.718981393	2.503851981	2.308000548	2.495820448	2.605929959	2.381160644	2.180269349	1.526695005	2.556746038	1.756856499	2.122803146	2.209606188	1.956607354	1.599356721	2.519666446	1.897890032	2.799961701	1.87474631	2.321894114	1.990320049	2.498512912	2.467309975	2.225850934	2.65093626	2.279407698	2.787834701	2.498982227	1.47644587	1.800809782	1.8591546	1.589902488	2.666549345	2.401828296	2.535298858	1.510495392	1.973484812	2.008781393	1.626854934	2.219025873
Tryptophan	0.325069997	0.254332153	0.301723176	0.302760615	0.388649872	0.385495309	0.301769772	0.292910788	0.389435538	0.209767952	0.337416031	0.260924377	0.363986806	0.316151484	0.347906681	0.364182132	0.353522063	0.333054538	0.225701447	0.36219306	0.23022416	0.276445049	0.298772934	0.253761895	0.208186107	0.378856577	0.307949395	0.429236399	0.296407451	0.353912149	0.296478073	0.345163778	0.270944494	0.289824739	0.351155339	0.291594844	0.376684	0.324523045	0.210196372	0.245683958	0.284482548	0.251153183	0.472528202	0.359806194	0.3529713	0.241192415	0.322282498	0.313802292	0.281213419	0.359575061
Tyrosine	1.104793536	0.855059745	0.979826778	1.011808591	1.411307974	1.309329641	1.013268835	0.938909739	1.288402247	0.660530275	1.034171642	0.72930365	1.108777065	0.967208286	1.011583907	1.128143995	0.98400335	0.953576828	0.632598634	1.032237532	0.712989521	0.857677794	0.940413189	0.676868807	0.631739897	0.899703853	0.885124905	1.247181328	0.792505994	0.965243596	0.783322253	0.963532282	0.899487439	0.838084202	1.040345515	0.821854671	1.087698021	0.959172393	0.65780552	0.717059396	0.77298953	0.582316827	1.176884204	0.899495574	0.969420718	0.527457597	0.764846539	0.69246767	0.600626189	0.804940314
Valine	1.962531895	1.50416482	1.90113431	1.744198155	2.419352863	2.219725448	1.590566212	1.812135578	2.210982909	1.065201253	1.845310239	1.271180913	1.785203356	1.680933318	1.816754838	1.897588665	1.611500286	1.618494773	1.187640166	1.844946617	1.190111411	1.344603689	1.368227461	1.234952087	1.189508515	1.960862885	1.446298474	2.095121756	1.492137978	1.908185783	1.471476584	1.660833133	1.755599591	1.701983305	1.890077767	1.562975234	1.824804215	1.620522704	1.159866901	1.226932704	1.466366894	1.168913063	2.167696293	1.811493849	1.795364743	1.224391591	1.409562651	1.431191099	1.23805962	1.671912384
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