#METABOLOMICS WORKBENCH efahy_20230425_000006 DATATRACK_ID:3898 STUDY_ID:ST002588 ANALYSIS_ID:AN004260 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 Hippocampus
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	90217015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_25.RAW
SUBJECT_SAMPLE_FACTORS           	0BD282C7-7832-4581-9089-08A32D557034	90218015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_26.RAW
SUBJECT_SAMPLE_FACTORS           	955498F4-70A0-4D50-A2BA-619A8FED8FEF	90222015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_27.RAW
SUBJECT_SAMPLE_FACTORS           	CFE06932-9314-4BCC-B2D9-73883D5FCDFB	90223015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_28.RAW
SUBJECT_SAMPLE_FACTORS           	3719CB62-B551-49BE-94A0-E51DFE13D30D	90225015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_29.RAW
SUBJECT_SAMPLE_FACTORS           	F65955CE-E49F-48C7-B861-02A2FDF6F9B8	90227015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_30.RAW
SUBJECT_SAMPLE_FACTORS           	0559B193-BED3-4170-B045-10A2B6441CB6	90229015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_31.RAW
SUBJECT_SAMPLE_FACTORS           	90CFE5A4-76FE-4458-A2B1-A66F0B60118E	90232015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_32.RAW
SUBJECT_SAMPLE_FACTORS           	F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF	90237015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_33.RAW
SUBJECT_SAMPLE_FACTORS           	FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC	90239015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Male	raw_file=17feb21_34.RAW
SUBJECT_SAMPLE_FACTORS           	1628FB23-6F66-47D4-8D82-63C87726F0FD	90245015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_35.RAW
SUBJECT_SAMPLE_FACTORS           	69FD4884-786D-4F2A-97B1-6174FBD25D60	90248015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_36.RAW
SUBJECT_SAMPLE_FACTORS           	0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E	90251015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_38.RAW
SUBJECT_SAMPLE_FACTORS           	07AF7369-F082-4CA7-99D5-D973F4A162C9	90252015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_39.RAW
SUBJECT_SAMPLE_FACTORS           	2479BEE5-2A38-4D09-B15B-B1715F561A9F	90254015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_40.RAW
SUBJECT_SAMPLE_FACTORS           	0A4A7935-3AF4-463F-84E3-DCF07671509D	90258015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_41.RAW
SUBJECT_SAMPLE_FACTORS           	04C84D7E-FC8C-422F-AE4B-CAFADB63407B	90259015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_42.RAW
SUBJECT_SAMPLE_FACTORS           	F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17	90265015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_43.RAW
SUBJECT_SAMPLE_FACTORS           	A77AC89A-1D9E-4516-9DA4-2BE99C8126EF	90266015210	Group:Control | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_44.RAW
SUBJECT_SAMPLE_FACTORS           	2B969165-1A52-43AA-8FD9-39AFA62F094F	90267015210	Group:Training | Timepoint:8 weeks of training or control time | Sex:Female	raw_file=17feb21_45.RAW
SUBJECT_SAMPLE_FACTORS           	22D700B9-EDD0-4BC8-8155-EB9C39417F81	90280015210	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=17feb21_46.RAW
SUBJECT_SAMPLE_FACTORS           	1CA4210C-3CE6-4A5A-996B-673EBDEB3B81	90281015210	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=17feb21_47.RAW
SUBJECT_SAMPLE_FACTORS           	9F3E1040-D409-421E-B635-2572DC20ED89	90283015210	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=17feb21_48.RAW
SUBJECT_SAMPLE_FACTORS           	569A9229-04E8-414A-A195-FE9E8F1B66AB	90289015210	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=17feb21_49.RAW
SUBJECT_SAMPLE_FACTORS           	E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF	90292015210	Group:Training | Timepoint:4 weeks of training | Sex:Male	raw_file=19feb21_26.RAW
SUBJECT_SAMPLE_FACTORS           	A9CE3E3D-31A0-4443-8A7F-8FD831D79248	90410015210	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=19feb21_27.RAW
SUBJECT_SAMPLE_FACTORS           	3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C	90412015210	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=19feb21_28.RAW
SUBJECT_SAMPLE_FACTORS           	89D6F615-D17C-4EB9-88EB-A602940FF179	90416015210	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=19feb21_29.RAW
SUBJECT_SAMPLE_FACTORS           	FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6	90420015210	Group:Training | Timepoint:4 weeks of training | Sex:Female	raw_file=19feb21_30.RAW
SUBJECT_SAMPLE_FACTORS           	6D680EA2-C62B-4A35-8B6E-2ED6A79CB017	90421015210	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=19feb21_31.RAW
SUBJECT_SAMPLE_FACTORS           	53F914B0-FD4F-4340-84A6-48341EAB3798	90422015210	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=19feb21_32.RAW
SUBJECT_SAMPLE_FACTORS           	D350D633-8D95-4783-99F2-BB8294D2EC32	90423015210	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=19feb21_33.RAW
SUBJECT_SAMPLE_FACTORS           	0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6	90426015210	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=19feb21_34.RAW
SUBJECT_SAMPLE_FACTORS           	10E282EB-1DBA-406E-BD5D-81027083A01D	90430015210	Group:Training | Timepoint:1 week of training or control time | Sex:Male	raw_file=19feb21_35.RAW
SUBJECT_SAMPLE_FACTORS           	4E974304-21EB-42E8-A729-A7FB6B406E64	90439015210	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=19feb21_36.RAW
SUBJECT_SAMPLE_FACTORS           	6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0	90441015210	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=19feb21_37.RAW
SUBJECT_SAMPLE_FACTORS           	AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504	90444015210	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=19feb21_39.RAW
SUBJECT_SAMPLE_FACTORS           	FDA87A8D-3634-4C42-9A1A-0EA03B58BB01	90449015210	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=19feb21_40.RAW
SUBJECT_SAMPLE_FACTORS           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015210	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=19feb21_41.RAW
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015210	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=19feb21_42.RAW
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015210	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=19feb21_43.RAW
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015210	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=19feb21_44.RAW
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015210	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=19feb21_45.RAW
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015210	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=19feb21_46.RAW
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015210	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=19feb21_47.RAW
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015210	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=19feb21_48.RAW
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015210	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=19feb21_49.RAW
#COLLECTION
CO:SAMPLE_TYPE                   	Hippocampus
#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                   	Acquity UPLC BEH C8, 2.1x150mm, 1.7um
CH:SOLVENT_A                     	0.1% formic acid, 1% Acetonitrile, 99% Water
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	90217015210	90218015210	90222015210	90223015210	90225015210	90227015210	90229015210	90232015210	90237015210	90239015210	90245015210	90248015210	90251015210	90252015210	90254015210	90258015210	90259015210	90265015210	90266015210	90267015210	90280015210	90281015210	90283015210	90289015210	90292015210	90410015210	90412015210	90416015210	90420015210	90421015210	90422015210	90423015210	90426015210	90430015210	90439015210	90441015210	90444015210	90449015210	90450015210	90559015210	90560015210	90564015210	90567015210	90571015210	90576015210	90578015210	90581015210
1-Methylhistidine	0.073962546	0.08446769	0.074490748	0.079359807	0.063350404	0.064651405	0.069683545	0.080418358	0.059545563	0.071311375	0.020148067	0.026629755	0.038628044	0.047700265	0.042390075	nan	nan	0.045863085	0.053990818	nan	0.08003969	0.037019424	nan	0.079374578	0.06533417	0.036420988	0.032414693	0.028675825	0.021601013	0.064188662	0.062943935	0.047360811	0.071998381	0.062264687	0.070506771	0.063355357	0.075013324	0.063382225	0.085920546	0.03108617	0.043354629	0.037968064	0.029886871	0.032520913	0.029682114	0.036525147	0.048208462
3-Methylhistidine	nan	nan	nan	nan	nan	nan	0.012177734	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	nan	0.021131952	nan	nan	nan	nan	0.021654278	nan	nan	nan	nan	nan	nan	nan	nan	0.020321197	0.020780598	nan	nan	nan	nan	nan
Alanine	4.289968074	5.038465117	5.127912758	4.869932083	4.535869436	4.424838599	4.896183623	5.288647352	4.638648299	4.605663281	4.821582255	2.981819346	4.286339616	3.869367217	4.006427777	5.148114926	4.502497504	4.062058945	4.288999552	4.446706873	4.882652654	3.983451845	0.443099857	5.123112843	4.976966276	3.986482179	4.220503407	5.350010882	4.008880427	3.853456245	4.606281348	4.636763337	5.074178235	4.116494306	4.571807954	4.607411234	5.550659958	4.701163317	5.685664044	5.183377869	3.83534732	3.692068473	2.691728258	1.805759985	3.681843284	3.921699926	4.146749962
alpha-Aminoadipic-acid	0.041500085	0.059327519	0.05260394	0.071111033	0.059446551	0.046315179	0.062814916	0.056231597	0.06580123	0.076814039	0.080505772	0.056169306	0.0626284	0.052973692	0.061767822	0.070063695	0.065655619	0.061855048	0.090356592	0.062229959	0.070409879	0.065505759	0.003934114	0.069356156	0.075764703	0.076113985	0.063114505	0.074011873	0.059199374	0.067971377	0.06866861	0.076673877	0.078568689	0.074026695	0.070040276	0.069001876	0.092635381	0.070224478	0.089260533	0.08213667	0.071099903	0.089267744	0.074682746	0.037231611	0.065491197	0.08443185	0.086407623
alpha-Amino-N-butyric-acid	0.025928783	0.033538865	0.025397145	0.03010936	0.023929753	0.01724292	0.04219992	0.033370998	0.025583552	0.026742787	0.118024711	0.061909419	0.080676765	0.106027309	0.075337506	0.040814232	0.023442037	0.022994716	0.083338206	0.03665684	0.03862046	0.021456707	0.000459766	0.038290935	0.037557811	0.06241817	0.034778916	0.049967327	0.043012601	0.03362606	0.032879912	0.039543435	0.042136501	0.036478139	0.04772774	0.026298469	0.071083773	0.037538057	0.050299277	0.118406046	0.071328443	0.111276611	0.072439384	0.04514994	0.129760413	0.088819422	0.124863879
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
Arginine	0.834308317	1.02869326	0.868045353	0.780508399	0.876855497	0.783210623	1.225205302	1.219732121	1.169598816	0.756338818	0.924271433	0.737599506	0.952733055	0.92073689	0.756095742	1.352963815	0.753164476	1.113987999	0.792569091	1.025882481	0.796658401	1.058757005	0.129599939	1.061955955	1.035237304	0.813328442	0.895248287	1.032341857	0.902371478	0.869412979	0.997810766	0.862232458	1.312428355	1.038971749	0.863893471	0.964205704	1.319946406	1.154339698	1.4740242	1.005514443	0.995079311	0.682594439	0.537205762	0.422012119	1.031766988	0.983248418	0.880629213
Asparagine	0.731153965	0.85813723	0.811031846	0.826997079	0.725544732	0.696627365	0.84042137	0.931258327	0.838397595	0.810561122	0.82508615	0.600550266	0.68852862	0.652240703	0.654833258	0.892261895	0.744743425	0.795789663	0.832011417	0.76932835	0.854994224	0.736757123	0.075408244	0.898739472	0.85618482	0.763547984	0.737296626	0.938808931	0.737512851	0.683927469	0.821082194	0.84994572	0.899423096	0.749858459	0.857625418	0.8735321	1.018772393	0.831714102	1.062690526	0.779508974	0.722232364	0.69603057	0.523219021	0.325304329	0.698303283	0.747513007	0.81537949
Aspartic Acid	6.154846498	7.831991652	6.68276507	7.930153669	6.82668455	6.129802073	7.918517318	7.980987199	8.132678436	6.533512487	6.496822104	6.055937959	5.979220015	6.199417646	5.181134129	8.583182166	6.391575762	7.371402981	7.566123026	7.70213242	7.989509134	6.404362238	0.65475207	8.62912415	9.147274233	7.26141743	7.270411779	10.29404758	7.066859183	6.681177135	7.099796678	8.117144626	9.100632217	6.801719235	8.168854556	7.665963847	9.495262889	8.015820901	10.46439239	7.477609599	6.220565629	5.909582085	5.100183998	3.662710279	6.39216332	7.373623217	7.371588308
beta-Alanine	0.193372711	0.307282923	0.258187821	0.283435805	0.252658754	0.240112102	0.267666812	0.267212869	0.261931534	0.261293867	0.25668721	0.181918762	0.240079631	0.193600485	0.199103917	0.331753963	0.237487889	0.234187373	0.272399246	0.265603485	0.296390351	0.212820122	nan	0.322377592	0.333114791	0.257292839	0.235451811	0.324121186	0.234014325	0.204517025	0.256205074	0.28663976	0.318469942	0.238257824	0.269490549	0.261315481	0.334037919	0.282850845	0.352750477	0.272308193	0.212461943	0.20826496	0.152027914	0.0781105	0.207143974	0.230479737	0.233174875
beta-Aminoisobutyric-acid	0.00700409	0.008381803	0.008930371	0.008684059	0.008561477	0.007675593	0.009172444	0.009130716	0.009457807	0.010495285	0.010708917	0.007771945	0.010629445	0.009951234	0.009863329	0.01236551	0.009624946	0.009330834	0.012673218	0.008808799	0.011289205	0.007850882	0.000424398	0.010688224	0.010561477	0.01087102	0.009479554	0.011373642	0.009177128	0.008507221	0.009830182	0.011876209	0.011541646	0.009476859	0.01102885	0.009837859	0.013295852	0.010953555	0.012745305	0.01197983	0.008988112	0.011103026	0.008547068	0.005463477	0.010331357	0.012207223	0.013162679
Carnosine	0.021772171	0.039951238	0.034569377	0.032093431	0.026609965	0.025030732	0.037069306	0.03659624	0.032851852	0.024017985	0.014117211	0.01599135	nan	0.019060446	0.012765049	0.017391079	0.011087662	nan	0.014748489	0.021769156	0.016501124	0.02207252	nan	0.022348619	0.041641393	0.063543958	0.032450665	0.047823809	0.036538048	0.020559054	0.046326984	0.029981297	0.045786022	0.043493341	0.041458636	0.032944031	0.041783085	0.039953768	0.040607975	0.03177469	0.046927757	0.024805818	0.016825095	0.017895859	0.041427451	0.02939456	0.035858762
Citrulline	0.1445612	0.171591959	0.192677905	0.193213936	0.183609073	0.175582815	0.227523782	0.189313361	0.240317495	0.183950794	0.238872697	0.140482398	0.175619079	0.192843705	0.177895887	0.2742269	0.23918441	0.227507066	0.192128964	0.218114567	0.231254723	0.194461255	0.010861941	0.225275236	0.18237929	0.16198253	0.236564634	0.23456076	0.167758204	0.1143839	0.147707869	0.242748071	0.181886855	0.150573796	0.142650022	0.238661266	0.283558007	0.181437702	0.348885402	0.277933395	0.240645614	0.15325444	0.17335177	0.095243204	0.188926546	0.178680113	0.244020927
Cystathionine 1	0.276629436	0.323371574	0.268721163	0.281157724	0.290791504	0.25132698	0.364825108	0.457985697	0.350993289	0.24484539	0.279494875	0.203251771	0.238880973	0.18616991	0.161685445	0.227548036	0.164251461	0.18749129	0.190520805	0.175598905	0.170759422	0.219505221	0.022628962	0.19118983	0.296791115	0.256310152	0.283104772	0.279688897	0.302545039	0.243829392	0.278294898	0.320100589	0.339798173	0.313265611	0.295272501	0.271830671	0.27340246	0.312259302	0.275438159	0.22981069	0.276785398	0.204851058	0.146371731	0.139568117	0.250574412	0.242402393	0.261286597
Cysteine	0.107499573	0.066971203	0.109480461	0.151494295	0.114411526	0.101577928	0.261646169	0.078113987	0.165204124	0.061573669	0.13012153	0.027622493	0.064330101	0.20657938	0.040295483	0.119422143	0.108588794	0.156537952	0.050724609	0.059236293	0.165418118	0.158256467	0.00927633	0.172627439	0.063370968	0.026067842	0.115734045	0.084813804	0.03082801	0.030221714	0.048000586	0.128484352	0.055959797	0.05099053	0.04779149	0.222799755	0.131959104	0.050098648	0.275442704	0.125803284	0.145056437	0.020255328	0.05647646	0.026341208	0.119483917	0.051565416	0.203030788
Ethanolamine	0.981890719	0.970528297	1.007288867	1.178560073	1.112116564	0.963612528	1.324102599	1.012314951	1.20666758	0.996241304	1.094585431	0.642466663	0.9658616	0.952727535	0.787884203	1.289789855	1.032977823	1.061735792	0.895294579	0.917073521	1.165144415	0.960262758	0.105993016	1.211104849	1.051343665	0.855078322	1.063532051	1.249647495	0.825258629	0.800920418	0.887992348	1.060151437	1.045048396	0.867749764	0.88367143	1.191291538	1.194968908	0.931094344	1.376192768	1.11698938	0.964737464	0.747680501	0.743890682	0.480392738	0.93453258	0.841863861	1.065456705
gamma-Amino-N-butyric-acid	8.932247488	9.634306267	9.250563001	10.89385352	8.676773764	8.359309672	9.51558648	9.585711173	9.765402245	10.16119195	10.21463256	7.258420379	8.250855237	8.312644879	8.034442405	10.54922835	9.523586539	9.618722305	9.665097092	9.372044022	10.28795924	9.028163625	1.020563102	10.72962175	10.46046451	9.131583447	9.12850539	11.33786326	8.121889812	8.238681596	9.04990437	10.4720162	9.563001296	9.229308098	9.403644401	10.86610314	11.5710907	9.852319352	12.55723497	10.74794773	7.860763583	8.132659066	6.645489622	4.481185501	9.133551123	8.724218386	10.4142491
Glutamic Acid	40.44533404	55.70697534	47.63884981	52.70515082	49.64081998	45.58142802	55.70497816	56.08069073	53.70824309	53.93036048	50.05056819	45.3744118	49.79204645	42.99901272	44.41278638	63.46368531	49.69133661	49.57692954	54.67752637	54.79736696	54.85002894	48.20164107	5.45717092	58.6368509	58.89653687	50.81818748	47.81412728	66.17954883	50.59297001	46.52306935	52.23451747	56.37717419	60.72418206	51.50693829	54.05061488	52.2812783	65.20653138	53.38813902	65.93765412	49.77754714	43.89256509	46.54559504	35.55962905	24.16900479	41.40839894	50.62049468	48.28898409
Glutamine	19.89340785	24.53843211	20.7168397	25.86539118	21.9841811	19.92583111	26.51121663	25.63918688	25.68134352	24.54120145	22.14804614	18.77660298	20.26103388	19.29972963	16.55278502	25.5988849	18.90306811	21.92269287	24.79747411	23.68295216	23.88786958	20.09790352	2.210551495	25.83576148	30.11450826	24.31733991	23.39028377	33.82134114	24.77109073	23.77181389	25.05421912	27.52623866	29.86218515	25.78425961	27.06374403	26.17567193	30.81557185	26.63255207	31.3925868	22.99336846	21.60019309	23.1581969	15.72126716	11.91504132	20.68446133	23.55407746	22.64874508
Glycine	4.130449672	4.451291682	4.342305114	5.291999901	4.489826431	4.018282367	5.231899463	4.416085399	4.817451723	4.365997982	4.952538833	3.492930321	4.274237513	4.380719745	3.903925621	5.067006854	4.581397308	4.776971073	4.513781101	4.398360471	5.332365145	4.540714165	0.463848801	5.462442007	4.751653859	3.968144561	4.094903942	5.440380353	3.994875573	3.713460989	4.195340991	5.047635509	4.644399377	4.208064428	4.398996241	5.253011563	5.403253784	4.659061086	6.276225266	4.703363375	4.649267199	3.704780623	3.32803807	2.286193294	4.057021567	4.162601622	4.821253579
Histidine	0.200666172	0.225577417	0.162468591	0.16931099	0.162808387	0.146961617	0.204870584	0.192263171	0.215918954	0.212775101	0.175177707	0.142597485	0.160911774	0.165880844	0.133625391	0.168530058	0.140899342	0.114027235	0.123917147	0.1328486	0.161553805	0.135070461	0.024644281	0.175202047	0.276245091	0.212803246	0.212984257	0.277667643	0.25063113	0.209705717	0.279761519	0.22285909	0.25807425	0.205498793	0.180894744	0.223866343	0.283480863	0.197062864	0.256783805	0.209504615	0.214665963	0.145211817	0.095482847	0.125254874	0.117835078	0.211880688	0.131855186
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
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
Hydroxyproline	0.023385084	0.025273065	0.025717945	0.026309636	0.027277273	0.02233994	0.03106172	0.038192298	0.030956703	0.026410612	0.022582589	0.01713791	0.01979975	0.019438087	0.019375634	0.025037798	0.022976265	0.022285412	0.021927262	0.025698148	0.045400009	0.041010932	0.004627147	0.035609963	0.046802736	0.032078352	0.027037655	0.03911622	0.034358837	0.038685178	0.050517108	0.039959493	0.049431584	0.039098122	0.045643022	0.043425963	0.044953955	0.054366794	0.059947464	0.037910334	0.030978591	0.028774285	0.022452047	0.015339249	0.029579569	0.03319484	0.032822676
Isoleucine	0.248321495	0.297632344	0.258079852	0.277014847	0.258031945	0.236829822	0.303036523	0.301575968	0.272354811	0.269161417	0.265602701	0.210127652	0.289327453	0.26651574	0.221179361	0.332353609	0.234362613	0.257048212	0.279292065	0.276208209	0.276070826	0.222684926	0.022864399	0.322655342	0.29255778	0.236478914	0.217030418	0.329382986	0.222804023	0.228802644	0.251510945	0.251744414	0.304160053	0.238434872	0.274441991	0.255005881	0.323300755	0.281312983	0.317602514	0.301660326	0.208568848	0.259456135	0.194930919	0.125306431	0.244662307	0.274240234	0.266360229
Leucine	0.549316961	0.6419859	0.568900686	0.62014006	0.57577558	0.5355765	0.672190128	0.692944071	0.640335281	0.647580474	0.665504223	0.481241977	0.604030499	0.571068781	0.502808793	0.754996668	0.563382593	0.596304106	0.627542375	0.593589387	0.648294584	0.526732346	0.051235371	0.709781938	0.68754045	0.552124062	0.511955367	0.774407009	0.539926167	0.551419877	0.559416266	0.585370969	0.692373882	0.53280743	0.621758109	0.600151686	0.710160778	0.653105291	0.711606404	0.668118647	0.490426472	0.516783908	0.403922162	0.254501323	0.522947258	0.583003117	0.567166568
Lysine	1.072542636	1.152740456	0.893247724	1.11699639	0.995739974	0.924511021	1.274168285	1.310618838	1.143824854	1.048102604	1.138470565	0.844812618	1.107332451	1.089713269	0.895190456	1.474933739	0.980467002	1.071992067	1.080399686	1.137867659	1.168528938	1.073731202	0.109861113	1.287794949	1.017143661	0.88612639	0.796129836	1.082275833	0.825163634	0.766756005	1.001924731	0.957716043	1.032731024	0.978989913	0.97403894	0.945633962	1.209855545	0.998859135	1.355713669	0.99497577	0.852731583	0.727418585	0.545308937	0.46236466	0.955618801	0.933384255	1.010858337
Methionine	0.196188192	0.22456123	0.210539519	0.234788793	0.205051598	0.187236917	0.254567961	0.230815649	0.229049124	0.223820324	0.196003725	0.15009126	0.179057299	0.173062306	0.149974434	0.255190896	0.215717622	0.231568912	0.185605281	0.197536686	0.235170631	0.223720879	0.021571129	0.261004356	0.233224582	0.179415621	0.182331561	0.235169255	0.192256697	0.183675986	0.209229191	0.219893089	0.238199918	0.189639316	0.226855504	0.242231911	0.261115882	0.239661713	0.298574647	0.205699657	0.180722539	0.161113736	0.147387639	0.098395379	0.179476715	0.201189621	0.203868847
Ornithine	0.062762342	0.057387446	0.061227751	0.057242225	0.058787241	0.050172042	0.054758196	0.069043076	0.05742347	0.062218828	0.053362327	0.04524793	0.057763165	0.039198393	0.047744482	0.070927799	0.048575199	0.075030033	0.053112332	0.060736867	0.055879505	0.055859993	0.006644623	0.07660867	0.060706511	0.043167983	0.04803982	0.059340683	0.051621678	0.044487825	0.054374731	0.059492072	0.048603813	0.054328719	0.056303256	0.053037907	0.061249342	0.049978805	0.06975809	0.044718123	0.046028887	0.041157341	0.028321642	0.025422312	0.038673518	0.043294234	0.047962657
Phenylalanine	0.297349163	0.331685775	0.292399547	0.339304852	0.299785943	0.277508321	0.383622484	0.365859657	0.34321576	0.328303088	0.323524094	0.236832324	0.270731337	0.26790891	0.236206866	0.365294394	0.278540942	0.315455711	0.276494878	0.294868247	0.341043829	0.302656878	0.033144038	0.374295138	0.345389634	0.266148532	0.265764708	0.370030258	0.279535801	0.274162909	0.300475531	0.337558967	0.35906195	0.308970516	0.334860036	0.335222449	0.378089318	0.344084927	0.425341363	0.318680433	0.278431907	0.236110334	0.198567551	0.136030532	0.274815017	0.283680552	0.29611381
Phosphoethanolamine	3.664280407	6.042537244	2.765862424	6.020467659	6.861560254	3.961374864	4.645888242	7.133565624	6.80016723	6.471680355	5.233499787	4.254726956	7.95315778	2.363411592	3.036097163	7.809673191	6.34183993	7.270250672	9.286632949	10.22668824	9.296133211	8.065826546	0.709254416	9.790347358	21.18184485	14.56381111	13.29198021	22.30884055	12.41800205	13.95310458	15.81081971	15.35087276	17.77096461	13.32519561	16.0919735	14.78829037	20.01768587	15.89277052	18.15497207	18.09712447	11.67905579	15.72773934	9.217530416	5.065876796	14.14759123	15.24056109	14.21967744
Proline	0.336919146	0.367191624	0.333591719	0.398030547	0.338082748	0.300887966	0.413145079	0.38372913	0.369049433	0.357543837	0.383403742	0.283602941	0.319214787	0.306335752	0.275293201	0.402720938	0.331226199	0.359932301	0.329883313	0.358111235	0.384282516	0.323282292	0.037274989	0.424234358	0.375423359	0.338285622	0.333072689	0.478078946	0.316215081	0.294429922	0.326929636	0.369250485	0.373451004	0.310273382	0.351652247	0.380132161	0.39841399	0.372712341	0.470977992	0.378490633	0.322835364	0.27914783	0.236320974	0.171725045	0.299338452	0.313987145	0.3655766
Sarcosine	0.001271326	0.00087676	0.000974788	0.001010915	0.001273191	0.000770529	0.001674886	0.002016423	0.001351218	0.000890482	0.001760913	0.000990076	0.001414822	0.001247757	0.000950027	0.001426842	0.001162153	0.001048694	0.000936998	0.001427777	0.001200541	0.001445221	nan	0.001431757	0.000279323	0.000709503	nan	4.46196e-05	0.000292425	nan	nan	-0.000225704	3.71474e-05	-0.000313147	0.000362686	0.000338186	-0.000301775	0.000686395	0.00014143	0.000744274	0.00080263	nan	nan	nan	0.000165237	nan	0.000706068
Serine	4.306408582	5.597062501	4.977164358	5.145304349	5.051106697	4.582201644	5.523432151	5.480813181	5.221064017	4.98878338	5.107382256	4.360510494	5.002904456	4.624146483	4.420406463	6.166686143	4.764301139	5.32040006	5.309512649	5.801698924	5.820942635	5.144062734	0.488583694	5.821364268	5.882085588	5.117272992	4.875366263	6.838810741	4.989062696	4.203084616	5.533702221	5.576348857	6.196367335	4.871597243	5.33165309	5.276351617	6.772857191	5.440537783	6.862417586	5.016504651	4.990690926	4.576992984	3.406696131	2.501699123	4.383792706	5.253083143	5.268446392
Taurine	18.35602071	20.72557846	19.23620803	20.56374613	19.43772932	18.49945298	23.06746468	23.23097198	21.4838366	20.84036667	20.75384134	17.71868545	18.65189417	18.25898446	17.98896689	22.73671437	19.90627193	21.28016452	20.76924737	20.19555065	21.14897363	19.19388786	3.012586571	22.42117275	20.67381588	17.73384956	18.28532713	22.76447193	18.1922227	17.53886131	19.45708623	19.30028279	21.16842592	19.07615618	20.11642383	21.08104419	22.34080409	21.28664605	23.55375447	18.75087037	18.28761442	17.09331443	13.73941162	10.34596018	17.37861924	19.49238926	18.47648036
Threonine	1.824031564	2.364935068	2.167800334	2.297594815	2.198691186	1.771324234	2.420577333	2.309640572	2.276104667	1.903816511	2.277663503	1.527234341	1.767320939	1.745539958	1.514469202	2.455755265	1.734082348	1.979154563	2.030158397	2.076744414	2.14091032	1.970819349	0.197106544	2.472708736	2.461080663	2.050772775	1.926555858	2.41676892	1.928373675	1.797524135	2.323552356	2.481957615	2.55969736	2.133326418	2.259781132	2.40825847	3.06922867	2.299513002	2.852761774	1.803695856	1.762449226	1.717278606	1.528902776	1.061657747	1.824036056	2.235112243	2.229239973
Tryptophan	0.121091155	0.136413213	0.121902643	0.127200499	0.121095594	0.110388137	0.166732962	0.15682137	0.146522006	0.124818924	0.137518229	0.121129095	0.123365156	0.131004776	0.113392259	0.162933411	0.120276843	0.145038902	0.135899589	0.141647891	0.138452854	0.132942918	0.013019397	0.150938756	0.135755508	0.121972413	0.116249107	0.164013252	0.122031615	0.117124552	0.129553297	0.13308121	0.146267593	0.125684465	0.129730263	0.145049383	0.156579141	0.136905011	0.181268394	0.146600713	0.132403575	0.118601908	0.093006649	0.068037971	0.132208582	0.134802422	0.151369487
Tyrosine	0.313342183	0.366541944	0.329524515	0.374765603	0.341520143	0.316419521	0.451669963	0.394918264	0.374182131	0.331217007	0.298313115	0.222912988	0.296403658	0.273149864	0.225952064	0.357691388	0.283331073	0.299113917	0.313690606	0.318227472	0.322725937	0.319309566	0.030781302	0.329550825	0.346526904	0.286715111	0.271324024	0.332026585	0.27145228	0.256425105	0.308940372	0.28265589	0.322441871	0.296648915	0.275727141	0.334119105	0.378097838	0.325448092	0.399169815	0.282728295	0.264365179	0.229634965	0.190013086	0.133460953	0.222797137	0.286874808	0.2704008
Valine	0.535390308	0.652253144	0.61308634	0.653130772	0.585971085	0.540142525	0.686817728	0.751097555	0.66019141	0.650990839	0.632666938	0.430540663	0.570048331	0.527925934	0.49338998	0.674257943	0.501376539	0.533905003	0.595792474	0.590587107	0.587673083	0.513182178	0.049611905	0.612127895	0.632275643	0.529771852	0.46703912	0.673520703	0.520058232	0.547547615	0.513682935	0.587285309	0.663804082	0.550330491	0.599670668	0.552352611	0.700587005	0.606820778	0.679239803	0.598431876	0.461584004	0.537923978	0.370935029	0.256424276	0.518341901	0.605298825	0.546080619
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