#METABOLOMICS WORKBENCH efahy_20230425_000033 DATATRACK_ID:3928 STUDY_ID:ST002612 ANALYSIS_ID:AN004284 PROJECT_ID:PR001020
VERSION             	1
CREATED_ON             	April 25, 2023, 7:56 am
#PROJECT
PR:PROJECT_TITLE                 	Molecular Transducer of Physical Activity Consortium
PR:PROJECT_SUMMARY               	MoTrPAC is a national research consortium designed to discover and perform
PR:PROJECT_SUMMARY               	preliminary characterization of the range of molecular transducers (the
PR:PROJECT_SUMMARY               	"molecular map") that underlie the effects of physical activity in humans. The
PR:PROJECT_SUMMARY               	program's goal is to study the molecular changes that occur during and after
PR:PROJECT_SUMMARY               	exercise and ultimately to advance the understanding of how physical activity
PR:PROJECT_SUMMARY               	improves and preserves health. Preclinical and clinical studies will examine the
PR:PROJECT_SUMMARY               	systemic effects of endurance and resistance exercise across a range of ages and
PR:PROJECT_SUMMARY               	fitness levels by molecular probing of multiple tissues before and after acute
PR:PROJECT_SUMMARY               	and chronic exercise. This program is the largest targeted NIH investment of
PR:PROJECT_SUMMARY               	funds into the mechanisms of how physical activity improves health and prevents
PR:PROJECT_SUMMARY               	disease. The MoTrPAC program is supported by the NIH Common Fund and is managed
PR:PROJECT_SUMMARY               	by a trans-agency working group representing multiple NIH institutes and
PR:PROJECT_SUMMARY               	centers, led by the NIH Office of Strategic Coordination, National Institute of
PR:PROJECT_SUMMARY               	Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes
PR:PROJECT_SUMMARY               	and Digestive and Kidney Diseases, National Institute on Aging, and National
PR:PROJECT_SUMMARY               	Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee:
PR:PROJECT_SUMMARY               	Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion
PR:PROJECT_SUMMARY               	Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac
PR:PROJECT_SUMMARY               	Bioinformatics / Data Coordination Center.
PR:INSTITUTE                     	MoTrPAC
PR:LAST_NAME                     	Ashley
PR:FIRST_NAME                    	Euan A.
PR:ADDRESS                       	300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA
PR:EMAIL                         	euan@stanford.edu
PR:PHONE                         	(650) 498-4900
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat Liver Powder
ST:STUDY_TITLE                   	- Targeted 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	90217016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_25.RAW
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_26.RAW
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_27.RAW
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_28.RAW
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_29.RAW
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_30.RAW
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_31.RAW
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_32.RAW
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_33.RAW
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=08feb21_34.RAW
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_35.RAW
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_36.RAW
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_37.RAW
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_39.RAW
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_40.RAW
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_41.RAW
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_42.RAW
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_43.RAW
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266016813	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_44.RAW
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267016813	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=08feb21_45.RAW
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280016813	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=08feb21_46.RAW
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281016813	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=08feb21_47.RAW
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283016813	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=08feb21_48.RAW
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289016813	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=08feb21_49.RAW
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292016813	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=08feb21_50.RAW
SUBJECT_SAMPLE_FACTORS           	2E37478F-525F-4E5E-A882-EE75FD0CFB29	90406016813	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=10feb21_25.RAW
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410016813	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=10feb21_26.RAW
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412016813	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=10feb21_27.RAW
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416016813	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=10feb21_28.RAW
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420016813	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=10feb21_29.RAW
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421016813	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=10feb21_30.RAW
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422016813	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=10feb21_31.RAW
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423016813	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=10feb21_32.RAW
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426016813	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=10feb21_33.RAW
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430016813	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=10feb21_34.RAW
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439016813	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=10feb21_35.RAW
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441016813	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=10feb21_36.RAW
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444016813	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=10feb21_37.RAW
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449016813	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=10feb21_39.RAW
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450016813	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=10feb21_40.RAW
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559016813	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=10feb21_41.RAW
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560016813	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=10feb21_42.RAW
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564016813	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=10feb21_43.RAW
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567016813	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=10feb21_44.RAW
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571016813	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=10feb21_45.RAW
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576016813	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=10feb21_46.RAW
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578016813	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=10feb21_47.RAW
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581016813	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=10feb21_48.RAW
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585016813	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=10feb21_49.RAW
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587016813	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=10feb21_50.RAW
#COLLECTION
CO:SAMPLE_TYPE                   	Liver
#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	90217016813	90218016813	90222016813	90223016813	90225016813	90227016813	90229016813	90232016813	90237016813	90239016813	90245016813	90248016813	90251016813	90252016813	90254016813	90258016813	90259016813	90265016813	90266016813	90267016813	90280016813	90281016813	90283016813	90289016813	90292016813	90406016813	90410016813	90412016813	90416016813	90420016813	90421016813	90422016813	90423016813	90426016813	90430016813	90439016813	90441016813	90444016813	90449016813	90450016813	90559016813	90560016813	90564016813	90567016813	90571016813	90576016813	90578016813	90581016813	90585016813	90587016813
1-Methylhistidine	0.062963954	0.098459339	nan	nan	0.067856721	0.105160473	0.04618995	0.089329834	0.056639424	0.071548386	nan	nan	0.167242023	0.185352841	0.094803339	0.144531242	0.128197406	0.162922951	0.228364005	0.168156854	0.087160323	0.152795477	nan	0.111741855	0.085047644	0.375161663	0.315995917	0.275504043	0.270026303	0.231457725	0.172322045	0.199913422	0.198618543	0.229360029	0.168218487	0.246931464	0.200086004	0.23105572	0.169391617	0.206572696	0.285242303	0.096408737	0.280250545	0.143498106	0.209814437	0.239695233	0.182182471	0.18703447	0.322202313	0.294956892
3-Methylhistidine	nan	nan	nan	nan	nan	nan	nan	0.020355808	nan	0.016005331	nan	nan	nan	nan	nan	0.025223804	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
Alanine	14.26905991	12.51378466	14.58817587	11.58186109	14.89515549	16.99836098	16.27929629	16.01231959	15.39204646	15.17400781	17.09823857	10.29408743	16.30856578	11.54761972	16.1788294	20.99199515	22.17366454	18.30895213	17.81181888	16.52010474	17.21467374	13.65925852	15.29417842	16.94909722	14.18602316	16.52694662	16.57735215	21.25795411	16.73551913	19.23105628	16.87686993	15.66347118	13.07880416	14.26914481	17.1210392	18.15778401	12.72054032	15.35756392	15.35824045	15.85503572	20.16717814	14.8845961	14.29507433	16.30879229	13.41774583	12.94847009	10.18157439	12.30405102	18.98821266	13.40807018
alpha-Aminoadipic-acid	0.074349081	0.064271203	0.075660068	0.05243511	0.093376951	0.090581567	0.049427142	0.107209222	0.105991465	0.086110125	0.05952571	0.033096851	0.070063294	0.048026967	0.046213441	0.076212347	0.070990024	0.072546503	0.085334141	0.06269255	0.097023519	0.076952652	0.064329072	0.102188616	0.07687262	0.047097087	0.044132791	0.053480487	0.059793273	0.058876521	0.081489543	0.073695225	0.056113367	0.07757651	0.075738942	0.070813654	0.06685425	0.070021834	0.059577154	0.071995815	0.08986837	0.046725928	0.078187265	0.044673558	0.045656262	0.047202596	0.034325884	0.068566876	0.074475973	0.083916613
alpha-Amino-N-butyric-acid	0.077075512	0.08091094	0.060898221	0.07449488	0.07964757	0.043303111	0.118911379	0.094230299	0.066037859	0.07698395	0.418964226	0.248621601	0.343121171	0.373094185	0.309352946	0.207154745	0.115708323	0.080587415	0.377433864	0.138973333	0.091132369	0.048415161	0.124452244	0.115360675	0.092413079	0.168173716	0.303686736	0.110085729	0.153517528	0.149449331	0.08418575	0.0878045	0.074610992	0.126961039	0.120293403	0.14128395	0.040954432	0.179447207	0.070200004	0.087933429	0.386406857	0.229386795	0.435083409	0.44522811	0.247286114	0.416740014	0.209956699	0.319216815	0.344416357	0.407968436
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	0.005093341	0.003464832	0.022300591	0.014635275	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.011145783	nan
Arginine	0.065107639	0.052474551	0.065227581	0.070925867	0.068756287	0.132747424	0.107898408	0.114430117	0.12123968	0.102130958	0.172818848	0.110869589	0.128709685	0.135348403	0.153117337	0.121125744	0.146469011	0.122741055	0.148684743	0.079664055	0.070697937	0.060415241	0.0664844	0.095820182	0.110515628	0.282156333	0.290953178	0.240646759	0.205230088	0.203764639	0.133388957	0.153008437	0.111011	0.131741054	0.093838821	0.153205789	0.100676207	0.099937293	0.088733958	0.121320676	0.207196649	0.155929163	0.220125343	0.176388249	0.140063365	0.181042681	0.096772353	0.108338465	0.115465972	0.145746845
Asparagine	1.468469391	1.114370254	1.33693217	0.944425966	1.425775062	1.695541492	1.387868772	1.638821071	1.442140609	1.281083426	1.593516746	1.129007059	1.551838733	1.499129814	1.430107999	1.835463822	1.776410115	1.793408987	2.264152381	1.694810071	1.310198578	1.284443822	1.648134404	1.512041481	1.635016582	1.696574897	1.873567672	1.374125848	1.244031508	1.79561217	1.546139462	1.597002476	1.052887137	1.444201945	1.194310415	2.033548228	1.377574297	1.437524521	1.192316174	1.564508966	1.823124417	1.489563884	1.66032208	1.793934473	1.325489219	1.627225738	1.272347703	1.246224757	1.987578505	1.61730566
Aspartic Acid	4.313630825	3.732635442	3.828525268	3.717074997	5.049254551	4.381934398	6.677062898	5.627335184	5.564421752	4.468980874	6.708039052	4.602820411	4.939066411	5.433580546	3.806651149	5.56484146	6.067543321	6.6113096	10.5035459	4.684828934	4.337882024	4.127043623	5.802239632	4.713319576	4.937774648	5.678854534	6.080904822	5.448363433	4.668899612	6.254494199	5.274324391	6.384583191	4.489689667	4.41167992	5.115654788	6.610319771	4.782297784	6.411827358	4.249977783	5.809207714	6.183756933	4.285351498	7.805522936	6.453808606	5.665310196	4.217997871	4.447856011	5.412540229	6.35771277	7.233192358
beta-Alanine	0.673707877	0.571122196	0.734057906	0.547636304	0.809657051	0.81096529	0.662145473	0.824209281	0.883860958	0.752563985	1.175359421	0.694363511	0.947038061	1.203637909	0.944960571	1.286676632	1.315727613	1.24657688	1.845165348	1.094063369	0.668112482	0.596941008	0.808483362	0.813694939	0.874994163	1.307581103	1.249409746	1.159299794	0.966878688	1.140813402	0.873864897	0.999464319	0.748364666	0.849823718	0.691418947	1.269166363	0.589558287	0.817491682	0.62071796	0.954402941	1.457343297	0.830553602	1.561380176	1.217318991	0.980978632	1.062063888	0.723647305	0.83568981	1.716253057	1.229960165
beta-Aminoisobutyric-acid	0.014901544	0.013607971	0.019451053	0.011600138	0.020248348	0.019797396	0.013430314	0.019947758	0.015564558	0.013092743	0.024467965	0.016805093	0.025669755	0.023978013	0.023012142	0.032267224	0.022236769	0.022905656	0.044321219	0.026592443	0.018333902	0.015502759	0.019837954	0.015592026	0.014937449	0.016962238	0.031881424	0.023315965	0.018779106	0.025328277	0.016688242	0.017892789	0.013343275	0.015797857	0.01251475	0.029310321	0.012303992	0.022820825	0.016832584	0.025615923	0.029858619	0.021330469	0.04212025	0.031158814	0.029064256	0.020992608	0.022991066	0.029253805	0.044469953	0.039573207
Carnosine	nan	nan	nan	nan	0.011708113	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.021103352	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	0.071605889	0.090016549	0.142042446	0.116563869	0.189477203	0.153763189	0.110174623	0.147113404	0.22174689	0.202138474	0.229025666	0.137669681	0.216398976	0.212981369	0.21825267	0.185724263	0.268679921	0.189126984	0.357958445	0.205523306	0.188137749	0.204711707	0.144136318	0.176155059	0.224699942	0.22272351	0.192847893	0.234023196	0.180010488	0.161098493	0.143475139	0.19731611	0.150621074	0.212058041	0.159002401	0.187304817	0.12489761	0.191235859	0.173000573	0.159652131	0.224341549	0.189788382	0.450807618	0.269467309	0.285538066	0.158208013	0.166668677	0.209375484	0.307986411	0.398113833
Cystathionine 1	0.020205503	0.067024396	0.130813683	0.064965429	0.150687308	0.152723886	0.068521485	0.053447183	0.096612639	0.124164783	0.123342547	0.082487017	0.165133253	0.156435709	0.172452043	0.266529928	0.144818594	0.170326458	0.285512845	0.178582024	0.151760898	0.143931079	0.050152522	0.073672414	0.092648839	0.159227915	0.193567553	0.151734136	0.153110222	0.178122258	0.079623184	0.143970239	0.076121717	0.126973486	0.088389233	0.075882422	0.046553771	0.117690337	0.059064308	0.072276535	0.122136585	0.062391389	0.151091922	0.270359585	0.149783361	0.143652319	0.130972626	0.152378614	0.304835739	0.212838188
Cysteine	0.000956671	-0.004302475	0.016082382	0.000557833	-0.003395757	0.024426711	0.035729203	0.003676588	0.001645331	0.006364686	0.480315713	0.166647864	0.530698641	0.401798668	0.354538208	0.371192718	0.917980902	0.534750928	0.623271724	0.320303519	nan	0.004388746	0.007558257	0.003424302	0.034846826	0.649820704	0.383769212	0.328058016	0.279587064	0.731326161	0.037606877	0.048589791	0.028889939	0.015349599	0.036573163	0.041448007	0.031931869	0.033947862	0.023732116	0.035091051	0.380486765	0.229699763	0.289802085	0.06841226	0.223989465	0.047552866	0.213125295	0.106565679	0.134928284	0.129358294
Ethanolamine	0.576289137	0.601843998	0.745986137	0.860165913	1.091189913	0.845382081	0.989419111	0.816867875	0.902665688	0.811295322	0.868171101	0.754996104	0.749941393	1.029466731	0.607212652	0.817344637	0.875617262	0.767567266	1.552258869	0.760642355	0.645715099	0.651554693	0.751321623	0.928190103	1.105419624	0.73320663	0.821032641	0.772263154	0.726708002	0.671584915	0.894664335	1.050122962	0.693263096	0.824559194	0.798274266	0.953822881	0.631999938	0.755976975	0.607832154	0.816584856	0.949143288	0.577274525	1.379784368	0.845615718	0.727555368	0.558083993	0.704510073	0.711690709	1.092017224	1.186824303
gamma-Amino-N-butyric-acid	0.074092038	0.039647301	0.048423493	0.037419815	0.057627639	0.049229454	0.073713559	0.070050297	0.059728676	0.055381653	0.077086145	0.049736974	0.064172209	0.071121515	0.063483497	0.084892771	0.101230367	0.096251971	0.089943448	0.075166251	0.042751744	0.038788814	0.052360606	0.05774378	0.065820387	0.075308897	0.08343127	0.073290771	0.062733662	0.093318211	0.053180556	0.057982547	0.05112736	0.059230915	0.056346255	0.064051123	0.060774806	0.06149321	0.055278423	0.062447821	0.085188577	0.070847794	0.087314701	0.088748861	0.067409927	0.060700824	0.060658254	0.059552422	0.088865514	0.082538137
Glutamic Acid	4.872479078	3.069244411	4.218327812	3.16747447	4.250670267	3.245208306	5.592014015	6.018118716	6.748306813	5.603936592	7.211505571	4.446159047	6.915277914	5.718101703	6.229457065	7.77270257	8.73468178	7.380973154	9.664380757	6.637666739	4.89837481	4.026853085	5.250066081	4.771910399	6.187261656	8.232580086	6.743661337	5.79886705	5.83540327	6.799787027	5.365551598	6.556336392	4.929844131	4.802150915	6.940990405	7.123578194	4.601176653	6.2198628	4.614153109	6.342125268	7.383544031	6.14949616	8.35624853	6.865800087	6.066625142	5.4648108	5.174542033	5.692097295	7.937285136	8.590195943
Glutamine	34.91212798	30.1046649	25.16405257	31.91463469	36.9500153	31.20150738	40.83147364	44.58295466	44.75101527	39.88428202	31.17697486	27.47642622	27.44939169	28.16527045	26.5614897	34.58751992	40.00385552	34.72407078	34.59957735	30.08334316	35.2554984	34.32847281	41.5014016	45.46744789	51.56465143	41.05280994	36.7221419	33.19753376	34.39973161	36.84098098	43.0342501	46.59896384	34.30916204	40.5708921	43.99053709	50.30440888	32.92933287	40.61102237	33.40085257	47.2784558	37.49189247	31.2818372	21.95224539	30.02612453	26.85994079	32.73688423	24.99650015	22.27925527	30.93381169	22.2245355
Glycine	11.79770033	8.765395304	10.81875284	8.963976717	11.97291719	9.61173423	11.62591404	13.00842868	14.03087111	13.6797279	19.62510402	13.15939264	17.14413801	21.53925982	14.55968054	16.76451959	19.31617884	18.49490522	24.84066711	15.9609003	10.0966933	9.890055547	13.09090716	15.77245635	15.69434608	22.02345612	20.95396441	16.19620653	16.19579962	18.89642822	13.65079669	16.15682547	11.09674383	14.07209924	15.34845017	18.61612131	13.01772102	15.66194348	11.07118942	16.47579469	21.36059371	15.59032138	24.3485156	20.38981916	19.2557492	15.4505899	15.08818753	15.77338582	24.4229681	20.46986184
Histidine	2.222897842	1.719178464	1.68505616	1.91964464	1.823162049	1.95626877	1.895822201	2.66805731	2.308693262	2.040898571	1.943067421	1.635100676	1.722798666	1.532826917	1.826360671	2.568773555	2.271330902	2.156406628	1.97055843	2.304456255	1.975837655	1.880790927	1.723286544	2.025174776	2.133647823	1.604114413	1.517211183	1.683605165	1.705854585	1.622224896	1.486062263	1.966803849	1.642533433	2.006226629	1.513298359	2.042388188	1.370236767	1.547699278	1.309345177	1.524095314	1.353187263	0.867110008	0.833156034	0.905961026	0.763561811	0.828058509	0.584873956	0.772402303	1.302280426	1.104330521
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	0.072255359	0.067323027	0.09119587	0.076172978	0.077548387	0.091388114	0.080759082	0.101089743	0.096920336	0.074427958	0.070862601	0.043916428	0.048683188	0.042937836	0.053333358	0.047783646	0.059982119	0.059298043	0.062988091	0.054500456	0.079369136	0.094154844	0.088907098	0.085555752	0.085277104	0.04275158	0.037663046	0.040418404	0.034040084	0.033185054	0.061193512	0.066463098	0.057725006	0.054125272	0.047787245	0.061747986	0.051446861	0.049160333	0.045185067	0.061120983	0.051417405	0.03463255	0.046643692	0.064823628	0.041190927	0.04092388	0.029141453	0.032748184	0.055225399	0.041336683
Isoleucine	1.030475014	0.672981211	0.855392233	0.618350863	1.069040896	1.147535026	0.880786831	1.088620364	1.064118162	0.961708557	1.34011978	0.972378939	1.42260503	1.331591117	1.143187454	1.649959138	1.379107458	1.334910914	1.942737485	1.38614871	0.918415269	0.859390552	1.030850275	1.092830677	1.18874516	1.4063483	1.576834768	1.132318503	1.072719842	1.492111927	1.074177284	1.174282327	0.78776618	1.07630733	0.887542509	1.416855296	0.954338308	1.110373698	0.937458051	1.067898807	1.530443323	1.199377071	1.681074319	1.589805975	1.25330389	1.399597619	1.159626029	1.119980799	1.918163231	1.662785265
Leucine	2.869419586	1.805856227	2.233902541	1.763662676	2.723392576	2.627338743	2.621799867	3.069999829	2.979990781	2.764900642	3.413322323	2.434171731	3.325566606	3.161856839	2.856713721	3.760471205	3.334749953	3.271099265	4.400651452	3.113123312	2.318482442	2.070162422	2.658889181	2.703886614	3.149707177	3.761340872	4.195112004	2.924152948	2.677838458	3.717738919	2.997500996	3.214229734	2.31426051	2.980817132	2.530228717	3.680363477	2.593242555	2.986403152	2.437610802	2.801312837	3.79094127	2.914442475	3.92158627	3.912007727	2.924830418	3.501286177	2.828158193	2.604143917	4.21684771	3.696551736
Lysine	3.971858513	3.192793023	3.467860982	3.664299376	4.978149433	4.285955961	4.173406037	4.109516397	4.997270461	5.376028886	6.014446407	4.522108766	5.060704112	5.630528961	4.961795079	5.545289118	5.95525749	5.203301697	8.380146082	4.97584524	3.930779065	4.796286245	4.373346806	4.702519778	5.495451933	4.722780511	5.426006455	3.691753194	3.663447856	4.461330627	3.833607699	4.212213084	3.221067167	4.9998184	4.001432747	5.646147784	3.131975186	4.296344206	3.709540083	3.992393265	6.886766609	4.038023328	9.527444771	7.419039146	5.683922148	6.389301389	4.285247321	5.05462522	6.455629156	7.26856379
Methionine	0.638678844	0.470640166	0.542354387	0.516213016	0.642349353	0.634814454	0.729687043	0.750866256	0.839332766	0.753327419	0.854380562	0.622977027	0.754375042	0.7898941	0.713542577	0.849132161	0.784382084	0.810160688	1.193954919	0.691443288	0.592692289	0.579187959	0.750461266	0.762310336	0.834238625	1.024991682	1.159319421	0.773916489	0.685873152	0.868522138	0.778576787	0.879650863	0.644560145	0.889476628	0.696040494	1.030908519	0.668580829	0.745554013	0.675380288	0.846595204	1.016021476	0.786596215	1.163113609	1.041162294	0.801510755	0.838961253	0.712742121	0.700034154	1.075230771	1.008669768
Ornithine	1.798360803	1.187745836	1.635765118	1.35922566	2.075491417	1.728651168	1.800954887	2.022249964	1.914307127	1.826032194	2.193963727	1.369538717	1.969577266	1.974903902	1.923559534	1.996019748	2.083522798	1.927451117	3.175286887	1.910261807	1.854058433	1.680149277	1.871453506	1.760081638	1.962789778	2.232580639	2.404890389	2.050300899	1.523871659	2.022468027	1.783545189	2.537334873	1.624881551	2.49087888	1.626764247	2.603327223	1.838925105	2.040856676	1.791853651	1.91158594	2.116868008	1.808824859	2.769671154	2.256202973	2.44613792	2.101652445	1.849717553	2.331901062	3.117253975	2.629791781
Phenylalanine	1.085544607	0.691928698	0.802020522	0.731516047	0.968565968	0.946778312	1.056092252	1.177391161	1.149599302	1.032612445	1.173697977	0.893033486	1.070445252	1.118699516	1.087101928	1.228710662	1.265384762	1.122084388	1.23050287	0.968603911	0.832841927	0.746485875	0.997815706	1.047335722	1.160460335	1.438763843	1.601713633	1.170211169	1.029264279	1.338598698	1.217261941	1.402188909	0.918946897	1.184256644	1.161233956	1.471510843	1.065792534	1.166031896	0.916183537	1.302831394	1.455495558	1.248290301	1.359162424	1.276900264	1.057207574	1.328249216	0.926590237	0.901176987	1.402464474	1.114162942
Phosphoethanolamine	0.682347373	0.664107411	0.970545501	0.590350741	0.594192375	0.882961172	0.711283402	0.721475308	0.532269905	0.518875189	1.438549012	0.888956421	0.937727642	0.680312529	1.089326304	0.955976726	0.795449924	1.037774244	1.173302218	0.922381971	0.404113378	0.452982074	0.852425922	0.578111659	0.758038633	0.989034119	0.909383673	0.659479214	0.788514312	0.677138935	0.550824646	0.657347828	0.601936074	0.475426355	0.386162094	0.607056086	0.494332941	0.532375923	0.433334858	0.67168958	0.914716719	0.779052544	0.943311267	0.800895717	1.111936886	0.788159854	0.649198944	0.790442605	0.957387132	0.927667045
Proline	0.965569959	0.787479109	0.978146939	0.677597328	0.891797063	1.326122551	0.790217951	1.032568586	0.843391551	0.811945325	1.477042336	0.9104227	1.214198537	1.043318411	1.12840971	1.479585315	1.25387112	1.368485092	1.807501877	1.286159266	0.890220333	0.760677384	1.051063286	0.919095859	0.864350334	1.253549369	1.434783173	1.285001536	1.111467375	1.384278944	1.103876088	1.106769654	0.912740446	1.039560223	0.768830897	1.402627301	0.893445924	0.955593794	0.867607253	1.037433361	1.478881515	1.098125804	1.170429417	1.643891355	1.109694623	1.283337377	0.99090216	1.129280073	1.899507593	1.29316599
Sarcosine	0.107694601	0.116270836	0.201078336	0.085872344	0.146198856	0.428845574	0.081179371	0.109199572	0.07021551	0.096003816	0.134310662	0.192652768	0.390874608	0.200221477	0.178331736	0.562212791	0.241273586	0.216684305	0.389152186	0.461424286	0.239828017	0.143510605	0.147868978	0.127449552	0.090803708	0.166582757	0.366553233	0.236053986	0.169345284	0.357686213	0.109669197	0.087970235	0.073470085	0.126465094	0.057648918	0.169943412	0.072944097	0.123940592	0.131726458	0.102579785	0.272894142	0.114446953	0.258099161	0.400403155	0.177626809	0.267930741	0.199277229	0.190260661	0.573298155	0.375465425
Serine	4.875530608	2.968622288	3.71389539	3.663357981	5.151635336	4.676942358	4.499699141	4.867634911	5.115584949	4.11787361	8.165418733	5.201979951	6.291734495	9.425093277	6.016752603	7.036168747	7.812608193	9.514889457	11.35825903	7.496225776	3.760066413	3.909295211	4.52005591	5.169647843	5.029926874	9.983767613	8.461762366	6.802546722	6.622135093	7.066324446	4.812607462	6.272417603	4.588810752	4.912703838	5.831594876	6.301344095	5.38589761	6.427113845	4.111321432	5.012861696	8.368461985	7.521535729	9.889417351	8.851674924	8.546281004	7.36227132	6.466903938	7.381424487	11.57621929	8.660126823
Taurine	15.85186319	23.51874254	10.93372546	31.84148857	36.39698616	20.59176451	24.82166136	24.91279358	35.27550735	37.7357288	16.21337989	23.35412141	23.72805666	28.91884122	18.69956016	27.50197895	29.69859042	19.23167797	26.14836185	16.48026668	35.18205475	32.73595352	29.08345033	38.9157244	35.36551442	21.92356743	34.00571985	25.85844702	19.11974742	28.65949288	41.38995891	28.03765587	29.24681676	47.92198748	37.04913492	50.44561604	21.22385017	18.40178627	33.42587863	30.67765252	36.34337925	30.72047398	37.07714951	25.2978819	17.85861727	43.43339625	22.30178631	16.22949822	31.10345231	37.85947611
Threonine	2.636206	1.754477947	2.381111521	1.871364909	2.949147769	2.599819834	2.281422641	2.69646349	2.801419905	2.398224171	4.170367941	2.583247306	3.338925981	4.281980525	2.794255397	3.864726094	3.611580333	4.019608466	6.124906592	3.656365076	2.113708121	2.052166455	2.763304892	3.053307654	2.909373331	4.746576426	4.74152474	3.311729322	3.158376334	3.875524142	2.684323127	3.23089379	2.316179274	2.874205105	2.85203781	3.60626443	2.51090265	3.532257553	2.295095585	2.938046582	3.951645213	3.339005128	4.560403115	4.35999877	4.104396595	3.469484097	3.25172919	3.581756763	5.478211408	4.342739648
Tryptophan	0.25834095	0.165733948	0.207759292	0.172815854	0.224828561	0.252531031	0.274383522	0.312372066	0.279901695	0.249905186	0.340390179	0.248447667	0.297681729	0.286280092	0.320038037	0.37684532	0.365179811	0.343324797	0.44010815	0.337328791	0.230784073	0.21604137	0.291710069	0.244224018	0.28826395	0.374727438	0.435457217	0.340432229	0.276760434	0.369246932	0.300646018	0.35635184	0.215486709	0.256410405	0.280805492	0.357988843	0.293216459	0.350511046	0.250702362	0.335299729	0.373598679	0.379108875	0.410208907	0.418815856	0.348094826	0.355467714	0.280930108	0.304234303	0.493039508	0.406988273
Tyrosine	1.048774658	0.743778353	0.969045653	0.671056518	1.108731063	1.194052247	1.149692173	1.213899756	1.182840561	1.026414326	1.432181014	1.010377703	1.398785139	1.281003996	1.244335018	1.616370678	1.343065971	1.466411996	2.410006181	1.521252269	0.902487491	0.820491133	1.146038804	0.971626051	1.150734386	1.457027393	1.704771079	1.320533469	1.129951262	1.617410406	1.119216319	1.424664817	0.812502771	1.079805634	0.999212895	1.544837445	0.920855447	1.144954147	0.959965024	1.124815208	1.608619721	1.258356349	1.754208851	1.802487896	1.30819013	1.394245008	1.203462096	1.20112367	2.05933427	1.673908422
Valine	2.032480333	1.423914498	1.744793436	1.340713026	2.186957437	2.228253158	1.872084467	2.132911457	2.20351183	2.039179138	2.442435272	1.76039406	2.57337284	2.293408386	2.260994577	2.996261348	2.284167667	2.445710254	3.576304231	2.539930786	1.828577394	1.562454277	1.945788076	2.123168965	2.37410668	2.848718324	3.21849729	2.248816922	2.195770009	2.682918454	2.142081591	2.342582183	1.641246252	2.458792982	1.889385403	2.552000346	1.787159343	2.304509886	1.915739996	1.902462689	2.537378457	1.998750181	2.928358482	2.691380774	2.018121277	2.354161208	1.965764307	2.039492723	3.398012914	2.774400192
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