#METABOLOMICS WORKBENCH juliehaines_20210415_112602 DATATRACK_ID:2578 STUDY_ID:ST001747 ANALYSIS_ID:AN002844 PROJECT_ID:PR001119
VERSION             	1
CREATED_ON             	April 20, 2021, 4:07 pm
#PROJECT
PR:PROJECT_TITLE                 	Lung metabolomics after ischemic acute kidney injury reveals increased oxidative
PR:PROJECT_TITLE                 	stress, altered energy production, and ATP depletion
PR:PROJECT_SUMMARY               	Acute kidney injury (AKI) is a complex disease associated with increased
PR:PROJECT_SUMMARY               	mortality that may be due to deleterious distant organ effects. AKI associated
PR:PROJECT_SUMMARY               	with respiratory complications, in particular, has a poor outcome. In murine
PR:PROJECT_SUMMARY               	models, AKI is characterized by increased circulating cytokines, lung chemokine
PR:PROJECT_SUMMARY               	upregulation, and neutrophilic infiltration, similar to other causes of indirect
PR:PROJECT_SUMMARY               	acute lung injury (ALI)(e.g., sepsis). Many causes of lung inflammation are
PR:PROJECT_SUMMARY               	associated with a lung metabolic profile characterized by increased oxidative
PR:PROJECT_SUMMARY               	stress, a shift towards the use of other forms of energy production, and/or a
PR:PROJECT_SUMMARY               	depleted energy state. To our knowledge, there are no studies that have
PR:PROJECT_SUMMARY               	evaluated pulmonary energy production and metabolism after AKI. We hypothesized
PR:PROJECT_SUMMARY               	that based on the parallels between inflammatory acute lung injury and
PR:PROJECT_SUMMARY               	AKI-mediated lung injury, a similar metabolic profile would be observed. Lung
PR:PROJECT_SUMMARY               	metabolomics and ATP levels were assessed 4 hours, 24 hours, and 7 days after
PR:PROJECT_SUMMARY               	ischemic AKI in mice. Numerous novel findings regarding the effect of AKI on the
PR:PROJECT_SUMMARY               	lung were observed including 1) increased oxidative stress, 2) a shift toward
PR:PROJECT_SUMMARY               	alternate methods of energy production, and 3) depleted levels of ATP. The
PR:PROJECT_SUMMARY               	findings in this report bring to light novel characteristics of AKI-mediated
PR:PROJECT_SUMMARY               	lung injury and provide new leads into the mechanisms by which AKI in patients
PR:PROJECT_SUMMARY               	predisposes to pulmonary complications.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	Lung metabolomics after ischemic acute kidney injury reveals increased oxidative
ST:STUDY_TITLE                   	stress, altered energy production, and ATP depletion
ST:STUDY_SUMMARY                 	Acute kidney injury (AKI) is a complex disease associated with increased
ST:STUDY_SUMMARY                 	mortality that may be due to deleterious distant organ effects. AKI associated
ST:STUDY_SUMMARY                 	with respiratory complications, in particular, has a poor outcome. In murine
ST:STUDY_SUMMARY                 	models, AKI is characterized by increased circulating cytokines, lung chemokine
ST:STUDY_SUMMARY                 	upregulation, and neutrophilic infiltration, similar to other causes of indirect
ST:STUDY_SUMMARY                 	acute lung injury (ALI)(e.g., sepsis). Many causes of lung inflammation are
ST:STUDY_SUMMARY                 	associated with a lung metabolic profile characterized by increased oxidative
ST:STUDY_SUMMARY                 	stress, a shift towards the use of other forms of energy production, and/or a
ST:STUDY_SUMMARY                 	depleted energy state. To our knowledge, there are no studies that have
ST:STUDY_SUMMARY                 	evaluated pulmonary energy production and metabolism after AKI. We hypothesized
ST:STUDY_SUMMARY                 	that based on the parallels between inflammatory acute lung injury and
ST:STUDY_SUMMARY                 	AKI-mediated lung injury, a similar metabolic profile would be observed. Lung
ST:STUDY_SUMMARY                 	metabolomics and ATP levels were assessed 4 hours, 24 hours, and 7 days after
ST:STUDY_SUMMARY                 	ischemic AKI in mice. Numerous novel findings regarding the effect of AKI on the
ST:STUDY_SUMMARY                 	lung were observed including 1) increased oxidative stress, 2) a shift toward
ST:STUDY_SUMMARY                 	alternate methods of energy production, and 3) depleted levels of ATP. The
ST:STUDY_SUMMARY                 	findings in this report bring to light novel characteristics of AKI-mediated
ST:STUDY_SUMMARY                 	lung injury and provide new leads into the mechanisms by which AKI in patients
ST:STUDY_SUMMARY                 	predisposes to pulmonary complications.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	491	group:sham | time point:7d	RAW_FILE_NAME=491
SUBJECT_SAMPLE_FACTORS           	-	493	group:sham | time point:7d	RAW_FILE_NAME=493
SUBJECT_SAMPLE_FACTORS           	-	495	group:sham | time point:7d	RAW_FILE_NAME=495
SUBJECT_SAMPLE_FACTORS           	-	497	group:sham | time point:7d	RAW_FILE_NAME=497
SUBJECT_SAMPLE_FACTORS           	-	499	group:sham | time point:7d	RAW_FILE_NAME=499
SUBJECT_SAMPLE_FACTORS           	-	502	group:sham | time point:7d	RAW_FILE_NAME=502
SUBJECT_SAMPLE_FACTORS           	-	504	group:sham | time point:7d	RAW_FILE_NAME=504
SUBJECT_SAMPLE_FACTORS           	-	508	group:sham | time point:7d	RAW_FILE_NAME=508
SUBJECT_SAMPLE_FACTORS           	-	510	group:sham | time point:7d	RAW_FILE_NAME=510
SUBJECT_SAMPLE_FACTORS           	-	496	group:AKI | time point:7d	RAW_FILE_NAME=496
SUBJECT_SAMPLE_FACTORS           	-	498	group:AKI | time point:7d	RAW_FILE_NAME=498
SUBJECT_SAMPLE_FACTORS           	-	500	group:AKI | time point:7d	RAW_FILE_NAME=500
SUBJECT_SAMPLE_FACTORS           	-	501	group:AKI | time point:7d	RAW_FILE_NAME=501
SUBJECT_SAMPLE_FACTORS           	-	503	group:AKI | time point:7d	RAW_FILE_NAME=503
SUBJECT_SAMPLE_FACTORS           	-	505	group:AKI | time point:7d	RAW_FILE_NAME=505
SUBJECT_SAMPLE_FACTORS           	-	512	group:sham | time point:4h	RAW_FILE_NAME=512
SUBJECT_SAMPLE_FACTORS           	-	514	group:sham | time point:4h	RAW_FILE_NAME=514
SUBJECT_SAMPLE_FACTORS           	-	516	group:sham | time point:4h	RAW_FILE_NAME=516
SUBJECT_SAMPLE_FACTORS           	-	518	group:sham | time point:4h	RAW_FILE_NAME=518
SUBJECT_SAMPLE_FACTORS           	-	520	group:sham | time point:4h	RAW_FILE_NAME=520
SUBJECT_SAMPLE_FACTORS           	-	536	group:sham | time point:4h	RAW_FILE_NAME=536
SUBJECT_SAMPLE_FACTORS           	-	538	group:sham | time point:4h	RAW_FILE_NAME=538
SUBJECT_SAMPLE_FACTORS           	-	540	group:sham | time point:4h	RAW_FILE_NAME=540
SUBJECT_SAMPLE_FACTORS           	-	542	group:sham | time point:4h	RAW_FILE_NAME=542
SUBJECT_SAMPLE_FACTORS           	-	544	group:sham | time point:4h	RAW_FILE_NAME=544
SUBJECT_SAMPLE_FACTORS           	-	511	group:AKI | time point:4h	RAW_FILE_NAME=511
SUBJECT_SAMPLE_FACTORS           	-	513	group:AKI | time point:4h	RAW_FILE_NAME=513
SUBJECT_SAMPLE_FACTORS           	-	515	group:AKI | time point:4h	RAW_FILE_NAME=515
SUBJECT_SAMPLE_FACTORS           	-	517	group:AKI | time point:4h	RAW_FILE_NAME=517
SUBJECT_SAMPLE_FACTORS           	-	519	group:AKI | time point:4h	RAW_FILE_NAME=519
SUBJECT_SAMPLE_FACTORS           	-	537	group:AKI | time point:4h	RAW_FILE_NAME=537
SUBJECT_SAMPLE_FACTORS           	-	539	group:AKI | time point:4h	RAW_FILE_NAME=539
SUBJECT_SAMPLE_FACTORS           	-	541	group:AKI | time point:4h	RAW_FILE_NAME=541
SUBJECT_SAMPLE_FACTORS           	-	543	group:AKI | time point:4h	RAW_FILE_NAME=543
SUBJECT_SAMPLE_FACTORS           	-	545	group:AKI | time point:4h	RAW_FILE_NAME=545
SUBJECT_SAMPLE_FACTORS           	-	521	group:sham | time point:24h	RAW_FILE_NAME=521
SUBJECT_SAMPLE_FACTORS           	-	524	group:sham | time point:24h	RAW_FILE_NAME=524
SUBJECT_SAMPLE_FACTORS           	-	527	group:sham | time point:24h	RAW_FILE_NAME=527
SUBJECT_SAMPLE_FACTORS           	-	530	group:sham | time point:24h	RAW_FILE_NAME=530
SUBJECT_SAMPLE_FACTORS           	-	533	group:sham | time point:24h	RAW_FILE_NAME=533
SUBJECT_SAMPLE_FACTORS           	-	548	group:sham | time point:24h	RAW_FILE_NAME=548
SUBJECT_SAMPLE_FACTORS           	-	551	group:sham | time point:24h	RAW_FILE_NAME=551
SUBJECT_SAMPLE_FACTORS           	-	554	group:sham | time point:24h	RAW_FILE_NAME=554
SUBJECT_SAMPLE_FACTORS           	-	557	group:sham | time point:24h	RAW_FILE_NAME=557
SUBJECT_SAMPLE_FACTORS           	-	560	group:sham | time point:24h	RAW_FILE_NAME=560
SUBJECT_SAMPLE_FACTORS           	-	522	group:AKI | time point:24h	RAW_FILE_NAME=522
SUBJECT_SAMPLE_FACTORS           	-	525	group:AKI | time point:24h	RAW_FILE_NAME=525
SUBJECT_SAMPLE_FACTORS           	-	528	group:AKI | time point:24h	RAW_FILE_NAME=528
SUBJECT_SAMPLE_FACTORS           	-	531	group:AKI | time point:24h	RAW_FILE_NAME=531
SUBJECT_SAMPLE_FACTORS           	-	534	group:AKI | time point:24h	RAW_FILE_NAME=534
SUBJECT_SAMPLE_FACTORS           	-	546	group:AKI | time point:24h	RAW_FILE_NAME=546
SUBJECT_SAMPLE_FACTORS           	-	549	group:AKI | time point:24h	RAW_FILE_NAME=549
SUBJECT_SAMPLE_FACTORS           	-	552	group:AKI | time point:24h	RAW_FILE_NAME=552
SUBJECT_SAMPLE_FACTORS           	-	555	group:AKI | time point:24h	RAW_FILE_NAME=555
SUBJECT_SAMPLE_FACTORS           	-	558	group:AKI | time point:24h	RAW_FILE_NAME=558
SUBJECT_SAMPLE_FACTORS           	-	523	group:normal | time point:24h	RAW_FILE_NAME=523
SUBJECT_SAMPLE_FACTORS           	-	526	group:normal | time point:24h	RAW_FILE_NAME=526
SUBJECT_SAMPLE_FACTORS           	-	529	group:normal | time point:24h	RAW_FILE_NAME=529
SUBJECT_SAMPLE_FACTORS           	-	532	group:normal | time point:24h	RAW_FILE_NAME=532
SUBJECT_SAMPLE_FACTORS           	-	535	group:normal | time point:24h	RAW_FILE_NAME=535
SUBJECT_SAMPLE_FACTORS           	-	547	group:normal | time point:24h	RAW_FILE_NAME=547
SUBJECT_SAMPLE_FACTORS           	-	550	group:normal | time point:24h	RAW_FILE_NAME=550
SUBJECT_SAMPLE_FACTORS           	-	553	group:normal | time point:24h	RAW_FILE_NAME=553
SUBJECT_SAMPLE_FACTORS           	-	556	group:normal | time point:24h	RAW_FILE_NAME=556
SUBJECT_SAMPLE_FACTORS           	-	559	group:normal | time point:24h	RAW_FILE_NAME=559
#COLLECTION
CO:COLLECTION_SUMMARY            	Adult (8-10 week-old), male C57B/6 mice (Jackson Laboratories, Bar Harbor, ME),
CO:COLLECTION_SUMMARY            	weighing between 20-25g were used. They were maintained on a standard diet and
CO:COLLECTION_SUMMARY            	water was freely available. All experiments were conducted in adherence to the
CO:COLLECTION_SUMMARY            	National Institutes of Health Guide for the Care and Use of Laboratory Animals.
CO:COLLECTION_SUMMARY            	The animal protocol was approved by the Animal Care and Use Committee of the
CO:COLLECTION_SUMMARY            	University of Colorado, Denver. Surgical Protocol. To induce ischemic AKI (29),
CO:COLLECTION_SUMMARY            	mice were anesthetized with intraperitoneal avertin (2,2,2-tribromoethanol;
CO:COLLECTION_SUMMARY            	Sigma Aldrich, Milwaukee, WI), a laparotomy was performed, and both renal
CO:COLLECTION_SUMMARY            	pedicles were clamped for 22 minutes. Mice received 500 µl saline with buprenex
CO:COLLECTION_SUMMARY            	subcutaneous injection preceding surgery and 500 µl saline was administered by
CO:COLLECTION_SUMMARY            	subcutaneous injection daily after surgery. The sham procedure is similar in all
CO:COLLECTION_SUMMARY            	respects – including laparotomy - except that renal pedicle clamping is not
CO:COLLECTION_SUMMARY            	performed. Collection and preparation of plasma and lung samples. Blood was
CO:COLLECTION_SUMMARY            	obtained via cardiac puncture and centrifuged at 3000g at 4°C for ten minutes;
CO:COLLECTION_SUMMARY            	plasma was collected and centrifuged a second time at 3000g for one minute. The
CO:COLLECTION_SUMMARY            	lungs were collected, weighed, snap frozen in liquid nitrogen and stored at
CO:COLLECTION_SUMMARY            	-80°C. In this experiment, lung, heart, kidney and liver were all rapidly
CO:COLLECTION_SUMMARY            	collected and snap frozen for future metabolomics assessment (19); in order to
CO:COLLECTION_SUMMARY            	limit time to freezing (and potential changes in metabolic phenotype due to
CO:COLLECTION_SUMMARY            	death) no additional processing of tissue occurred and organs were not perfused
CO:COLLECTION_SUMMARY            	prior to collection.
CO:SAMPLE_TYPE                   	Lung
#TREATMENT
TR:TREATMENT_SUMMARY             	To induce ischemic AKI (29), mice were anesthetized with intraperitoneal avertin
TR:TREATMENT_SUMMARY             	(2,2,2-tribromoethanol; Sigma Aldrich, Milwaukee, WI), a laparotomy was
TR:TREATMENT_SUMMARY             	performed, and both renal pedicles were clamped for 22 minutes. Mice received
TR:TREATMENT_SUMMARY             	500 µl saline with buprenex subcutaneous injection preceding surgery and 500
TR:TREATMENT_SUMMARY             	µl saline was administered by subcutaneous injection daily after surgery. The
TR:TREATMENT_SUMMARY             	sham procedure is similar in all respects – including laparotomy - except that
TR:TREATMENT_SUMMARY             	renal pedicle clamping is not performed.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolomics analyses. Frozen lung tissue was milled with mortar and pestle in
SP:SAMPLEPREP_SUMMARY            	the presence of liquid nitrogen and weighed to the nearest 0.1 mg. At a tissue
SP:SAMPLEPREP_SUMMARY            	concentration of 40 mg/mL, the samples were extracted in ice-cold
SP:SAMPLEPREP_SUMMARY            	lysis/extraction buffer (5:3:2 MeOH:MeCN:water v/v/v) followed by agitation at
SP:SAMPLEPREP_SUMMARY            	4°C for 30 minutes and centrifugation at 18,213 g for 10 minutes at 4°C. The
SP:SAMPLEPREP_SUMMARY            	supernatants (10 uL per injection) were immediately analyzed by UHPLC-MS.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	10 μl of tissue extracts were injected into a UHPLC system (Ultimate 3000,
CH:CHROMATOGRAPHY_SUMMARY        	Thermo, San Jose, CA, USA) and separated through a 3 min isocratic elution on a
CH:CHROMATOGRAPHY_SUMMARY        	Kinetex XB-C18 column (150 × 2.1 mm i.d., 1.7 μm particle size – Phenomenex,
CH:CHROMATOGRAPHY_SUMMARY        	Torrance, CA, USA) at 250 μl/min (mobile phase: 5% acetonitrile, 95% 18 mΩ
CH:CHROMATOGRAPHY_SUMMARY        	H2O, 0.1% formic acid; column temperature: 25°C).
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm, 1.7 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The UHPLC system was coupled online with a QExactive mass spectrometer (Thermo,
MS:MS_COMMENTS                   	San Jose, CA, USA), scanning in Full MS mode (2 μscans) at 70,000 resolution
MS:MS_COMMENTS                   	from 60-900 m/z, with 4 kV spray voltage, 15 sheath gas and 5 auxiliary gas,
MS:MS_COMMENTS                   	operated in positive ion mode. Calibration was performed before each analysis
MS:MS_COMMENTS                   	using a positive calibration mix (Piercenet – Thermo Fisher, Rockford, IL,
MS:MS_COMMENTS                   	USA). Limits of detection (LOD) were characterized by determining the smallest
MS:MS_COMMENTS                   	injected amino acid amount required to provide a signal to noise (S/N) ratio
MS:MS_COMMENTS                   	greater than three using < 5 ppm error on the accurate intact mass. Based on a
MS:MS_COMMENTS                   	conservative definition for Limit of Quantitation (LOQ), these values were
MS:MS_COMMENTS                   	calculated to be three fold higher than determined LODs. MS data acquired from
MS:MS_COMMENTS                   	the QExactive was converted from .raw file format to.mzXML format using
MS:MS_COMMENTS                   	MassMatrix (Cleveland, OH, USA). Amino acid assignments were performed using
MS:MS_COMMENTS                   	MAVEN (Princeton, NJ, USA). The MAVEN software platform provides tools for peak
MS:MS_COMMENTS                   	picking, feature detection and metabolite assignment against the KEGG pathway
MS:MS_COMMENTS                   	database. Assignments were further confirmed using a process for chemical
MS:MS_COMMENTS                   	formula determination using isotopic patterns and accurate intact mass (Clasquin
MS:MS_COMMENTS                   	et al. 2012). Analyte retention times were confirmed by comparison with external
MS:MS_COMMENTS                   	standard retention times, as indicated above.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	491	493	495	497	499	502	504	508	510	496	498	500	501	503	505	512	514	516	518	520	536	538	540	542	544	511	513	515	517	519	537	539	541	543	545	521	524	527	530	533	548	551	554	557	560	522	525	528	531	534	546	549	552	555	558	523	526	529	532	535	547	550	553	556	559
Factors	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:sham | time point:7d	group:AKI | time point:7d	group:AKI | time point:7d	group:AKI | time point:7d	group:AKI | time point:7d	group:AKI | time point:7d	group:AKI | time point:7d	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:sham | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:AKI | time point:4h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:sham | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:AKI | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h	group:normal | time point:24h
alanine	24824450.00	34899930.00	35663790.00	30708580.00	22018760.00	50673780.00	26015220.00	20125670.00	44745550.00	30032390.00	30876940.00	29836130.00	21317820.00	16766390.00	30382380.00	26593530.00	39622190.00	44780850.00	43617730.00	37552680.00	27310600.00	39458280.00	37050990.00	28563700.00	27736280.00	41106960.00	16829380.00	31629380.00	18830830.00	30024520.00	21749980.00	25241630.00	21606190.00	17351690.00	17918940.00	34519540.00	54404600.00	50216270.00	31905230.00	44051120.00	19068130.00	44606560.00	53919090.00	15630560.00	40029020.00	14299310.00	29211790.00	33604550.00	24599930.00	14054820.00	23781940.00	14080810.00	24112230.00	33075710.00	23064600.00	2.68E+07	3.26E+07	2.87E+07	4.10E+07	2.11E+07	5.13E+07	2.83E+07	2.73E+07	2.24E+07	2.14E+07
arginine	1500930.00	1879492.00	2503600.00	1537379.00	1470804.00	2681881.00	2011255.00	1496789.00	2012852.00	1775927.00	1482057.00	1754636.00	1435740.00	1530729.00	2037381.00	2242933.00	2466124.00	4368958.00	4032233.00	3491586.00	1740778.00	2751420.00	2042578.00	2450795.00	2275930.00	3330568.00	2331305.00	1766888.00	2461685.00	1596135.00	1599440.00	2733042.00	1897006.00	2273640.00	2052227.00	2409595.00	4474754.00	3234794.00	2409086.00	2011113.00	1524014.00	3346345.00	4355622.00	1725041.00	3277571.00	2066029.00	2799989.00	3731526.00	2169198.00	1052607.00	2686937.00	1855482.00	1933671.00	2379223.00	2720506.00	2.00E+06	2.03E+06	2.05E+06	2.32E+06	1.99E+06	3.48E+06	2.06E+06	2.32E+06	1.94E+06	1.96E+06
asparagine	710577.90	797361.00	1101507.00	847383.70	833255.20	1245299.00	675411.80	425464.20	1041542.00	768284.20	759234.40	691796.60	554530.20	618979.10	801068.60	1018979.00	1643165.00	2019304.00	1628194.00	1638893.00	1050270.00	1427804.00	1323562.00	1216212.00	758948.10	1980485.00	1927775.00	1314944.00	808505.70	1634483.00	1019480.00	1920810.00	987665.50	1041504.00	858006.10	780602.60	1899852.00	1096777.00	761166.30	894125.00	480996.50	1225124.00	1448698.00	441922.50	695121.40	481063.00	1196372.00	2180032.00	1349881.00	558389.40	1085728.00	761411.20	1783702.00	1443564.00	2512160.00	5.57E+05	7.43E+05	5.82E+05	1.08E+06	4.72E+05	1.26E+06	7.14E+05	6.58E+05	4.69E+05	5.08E+05
aspartate	8138398.00	8812232.00	14192460.00	8905793.00	7753310.00	14154760.00	10107870.00	7278842.00	15883540.00	16334450.00	11384700.00	13540760.00	10169180.00	7841136.00	13633920.00	7208782.00	7957970.00	9286843.00	8645059.00	5778132.00	5386860.00	8443688.00	8914896.00	6966790.00	6440934.00	9004509.00	4581418.00	6737968.00	4025815.00	4790842.00	6323374.00	5557846.00	5542697.00	5123724.00	4314927.00	8455391.00	14682500.00	13819780.00	9308747.00	9890458.00	5037816.00	10282470.00	12826400.00	4235851.00	10671320.00	3878299.00	8323216.00	7103158.00	7985300.00	4444254.00	5660500.00	2937922.00	6430638.00	7059284.00	5073360.00	8.41E+06	7.89E+06	8.22E+06	9.60E+06	6.24E+06	1.54E+07	9.98E+06	8.37E+06	6.63E+06	7.88E+06
cysteine	1681789.00	2001638.00	3499291.00	2174362.00	1645774.00	3154388.00	1948147.00	1346340.00	3601463.00	2610026.00	1988865.00	1814794.00	1784767.00	1596062.00	2191681.00	2215356.00	2461082.00	1644005.00	2822554.00	2624816.00	1448690.00	3025086.00	2107920.00	2082866.00	1899662.00	3286563.00	1478829.00	2300105.00	1551786.00	1543727.00	1590842.00	1525970.00	1624179.00	1841425.00	2454114.00	1779840.00	4069257.00	3861547.00	2249450.00	1991384.00	1396847.00	4529301.00	3487862.00	1207277.00	3864863.00	1041252.00	2759813.00	1865778.00	1364094.00	1049635.00	2415441.00	1273211.00	2360823.00	3513606.00	2135080.00	1.54E+06	1.37E+06	1.47E+06	2.62E+06	1.35E+06	3.00E+06	1.82E+06	1.95E+06	9.88E+05	1.83E+06
glutamate	46857660.00	57433480.00	86567620.00	57459900.00	46263100.00	87353420.00	54514370.00	44886670.00	96685540.00	67455700.00	65888120.00	69559310.00	54714450.00	37476040.00	75158290.00	49889670.00	64023390.00	68300180.00	63787810.00	50172840.00	48489570.00	67648730.00	60347210.00	53206590.00	47807940.00	59185660.00	30253150.00	52831050.00	30014590.00	39746160.00	43654420.00	40183720.00	36266020.00	32917930.00	29773240.00	54103990.00	81731000.00	94027590.00	64084220.00	75785620.00	31112010.00	80637180.00	98608150.00	29432050.00	66017580.00	26126110.00	54919210.00	43989570.00	41328810.00	26036250.00	38053080.00	21832880.00	41032280.00	45250350.00	28431350.00	5.57E+07	4.56E+07	5.55E+07	7.42E+07	4.18E+07	9.75E+07	6.99E+07	5.00E+07	4.37E+07	4.72E+07
glutamine	10965570.00	14750150.00	20500330.00	14705480.00	15427990.00	20617720.00	11897300.00	11050450.00	20921130.00	14044340.00	13169580.00	13933800.00	10739020.00	12382470.00	17422450.00	20613310.00	37740410.00	56835860.00	42166900.00	35025080.00	19348390.00	35293700.00	30008020.00	26980450.00	19910040.00	45766530.00	19776420.00	29948350.00	19307360.00	27628760.00	23977700.00	24297850.00	19585570.00	19226060.00	16423050.00	16721140.00	32818690.00	31669090.00	22171780.00	24338770.00	9700712.00	30561660.00	36050840.00	7712044.00	21498280.00	14122870.00	29152920.00	32808230.00	22432120.00	10939580.00	20080180.00	14064870.00	19807690.00	26482100.00	22896660.00	1.32E+07	1.55E+07	1.29E+07	2.11E+07	9.93E+06	2.68E+07	1.27E+07	1.03E+07	9.63E+06	9.25E+06
glycine	20708570.00	29704210.00	35334850.00	25855250.00	23100200.00	38226230.00	23736800.00	21347080.00	35639010.00	30594370.00	29345240.00	23023690.00	23876950.00	18728570.00	31398460.00	18635050.00	27805680.00	38858420.00	28059340.00	31199200.00	22151000.00	31630040.00	29272490.00	23212720.00	21608620.00	33389150.00	17730550.00	26331880.00	19611270.00	25873390.00	23230380.00	22920110.00	20720870.00	18213750.00	18814730.00	24006370.00	40304160.00	36660260.00	25888790.00	27607100.00	20262260.00	35576290.00	38315170.00	18911500.00	30843540.00	16383920.00	33573900.00	35086020.00	24484470.00	16568640.00	25712390.00	19215020.00	27548300.00	34804470.00	23337210.00	2.47E+07	2.12E+07	2.25E+07	3.13E+07	2.12E+07	3.68E+07	2.49E+07	2.74E+07	2.09E+07	2.04E+07
histidine	798299.30	1045496.00	1704466.00	1127816.00	1019032.00	1744943.00	1039072.00	850947.70	1588626.00	1301995.00	1058534.00	1079200.00	928378.20	862508.20	1442246.00	1250840.00	2906450.00	4167624.00	3182263.00	2576734.00	1682789.00	2866896.00	2150972.00	1797441.00	1290651.00	2681333.00	1745822.00	2553625.00	1593735.00	2512083.00	2032258.00	2196358.00	1510314.00	1340399.00	1335875.00	972777.80	2508826.00	2153948.00	1105839.00	1571078.00	661620.20	2193154.00	2809060.00	633614.70	1456204.00	1042269.00	2407229.00	2981906.00	2013700.00	1161620.00	1970357.00	1003414.00	1694223.00	2054633.00	2489891.00	1.22E+06	1.50E+06	1.02E+06	2.01E+06	9.01E+05	2.31E+06	8.89E+05	1.01E+06	9.22E+05	8.28E+05
leucine/isoleucine	9697551.00	16569540.00	23496500.00	13588280.00	10472530.00	24588050.00	16510230.00	10037390.00	29626610.00	18719330.00	13748390.00	13752170.00	12372380.00	8718840.00	18693210.00	16488810.00	28348890.00	47733730.00	37588020.00	24427610.00	16246880.00	33976680.00	26428370.00	22045480.00	14168710.00	26685790.00	15942700.00	21116440.00	14134350.00	20529190.00	15826420.00	20611110.00	11317860.00	11195240.00	11490040.00	15266010.00	34234460.00	33893710.00	17420630.00	16116680.00	7596476.00	29815520.00	29725160.00	6821248.00	20791980.00	10342110.00	23693530.00	31302420.00	21043420.00	10400000.00	17047140.00	9096767.00	18283780.00	21123010.00	20691620.00	1.29E+07	1.66E+07	1.21E+07	1.85E+07	1.01E+07	3.33E+07	1.07E+07	1.45E+07	7.30E+06	9.97E+06
lysine	1175585.00	1619087.00	2018760.00	1608380.00	1203993.00	1759977.00	1887099.00	1353736.00	2154801.00	1810049.00	1575692.00	1369180.00	1492093.00	1127145.00	1787928.00	2170166.00	3372898.00	3733086.00	2955621.00	2942695.00	2553968.00	3212435.00	2675438.00	2626186.00	2613557.00	2488214.00	2463678.00	3140457.00	2313229.00	2644379.00	2196714.00	2880997.00	2492091.00	2147075.00	2227597.00	2357505.00	2653896.00	3065553.00	2427922.00	2526090.00	1501622.00	2877045.00	3435150.00	1673592.00	3079063.00	1597223.00	1967142.00	2580359.00	2027889.00	1740808.00	1774187.00	1407678.00	1462606.00	1776357.00	2214718.00	2.17E+06	2.42E+06	1.99E+06	2.67E+06	1.77E+06	2.67E+06	1.84E+06	1.92E+06	1.69E+06	1.54E+06
methionine	2601514.00	4791981.00	6416306.00	3685613.00	2791712.00	6788604.00	4648044.00	2296817.00	5883736.00	4115991.00	3417533.00	3155156.00	3246350.00	2575654.00	4463546.00	3272540.00	5705478.00	9199998.00	7985542.00	7554040.00	3437963.00	6129734.00	5318338.00	3469504.00	2934167.00	5848280.00	3016938.00	3858924.00	3226413.00	3884643.00	2588871.00	4040699.00	2534547.00	2712506.00	2819709.00	4587108.00	10670090.00	10883800.00	4992292.00	4782481.00	3027685.00	7404702.00	10171120.00	2413958.00	6559306.00	3407639.00	5364432.00	7234200.00	5231066.00	2765366.00	4776001.00	2093799.00	3115545.00	5613922.00	3493807.00	4.31E+06	5.03E+06	4.29E+06	6.41E+06	3.01E+06	1.00E+07	3.88E+06	4.63E+06	3.21E+06	3.92E+06
phenylalanine	1278177.00	2144237.00	2273574.00	1818296.00	1936412.00	2903407.00	1703680.00	1229756.00	2677265.00	2192649.00	1894639.00	2024453.00	1623123.00	1806980.00	2470140.00	2377888.00	3225838.00	4942910.00	4463542.00	3605688.00	1765364.00	3595770.00	2686998.00	2325826.00	946780.30	3648998.00	2268696.00	2774109.00	2042503.00	2722847.00	1832975.00	2393609.00	1898502.00	1730350.00	1628906.00	1910409.00	3140150.00	2988963.00	1799701.00	1754173.00	1018413.00	2882417.00	3143775.00	1000784.00	1850452.00	1368155.00	2792655.00	3802094.00	2153291.00	1192072.00	2519279.00	1083024.00	1721234.00	2281580.00	2077126.00	1.96E+06	1.82E+06	1.47E+06	2.60E+06	1.23E+06	3.10E+06	1.33E+06	1.65E+06	1.17E+06	1.36E+06
proline	15419210.00	30103590.00	31412630.00	18511710.00	14712190.00	38681200.00	22151030.00	14138710.00	31075160.00	24895200.00	18665600.00	19472760.00	19632940.00	16570340.00	20932450.00	21637360.00	33349900.00	44475620.00	40062320.00	38324040.00	19570630.00	35643210.00	24342100.00	22297520.00	19241870.00	35062500.00	19118650.00	25917950.00	19681680.00	24927060.00	17892620.00	23360690.00	16733280.00	15350370.00	16260390.00	24838290.00	45496960.00	47940010.00	26381530.00	31251540.00	15584690.00	36460080.00	42366300.00	12783300.00	33165520.00	14581870.00	28143670.00	36948210.00	21355530.00	11945750.00	25017890.00	11108240.00	18217580.00	28876010.00	18449260.00	1.90E+07	2.53E+07	1.97E+07	3.06E+07	1.36E+07	4.66E+07	1.76E+07	2.14E+07	1.36E+07	1.69E+07
serine	1222448.00	1685969.00	1847096.00	1553936.00	1497124.00	2129755.00	1670484.00	798895.30	2119630.00	1545051.00	1539482.00	1286294.00	1041332.00	1084228.00	1352418.00	1245701.00	2182596.00	3033061.00	2558310.00	2110356.00	1339599.00	2491413.00	1792046.00	1602628.00	1303940.00	2419606.00	1276717.00	1886940.00	1211131.00	1884658.00	1364392.00	1713883.00	1399928.00	1279432.00	1382007.00	1559899.00	3143901.00	2889359.00	1793672.00	2224668.00	1181491.00	2788917.00	2915171.00	897119.00	2151473.00	874594.90	1986087.00	2436663.00	1692372.00	889664.60	1601262.00	1003043.00	1388274.00	1897863.00	1650794.00	1.42E+06	1.27E+06	1.48E+06	2.26E+06	1.13E+06	2.62E+06	1.47E+06	1.67E+06	1.22E+06	1.10E+06
threonine	2997804.00	4820254.00	6218268.00	4411691.00	2396417.00	6528822.00	5614954.00	2879424.00	6251666.00	4020938.00	4428842.00	3800800.00	3583775.00	1838730.00	4475952.00	4222112.00	6526802.00	8114936.00	7509266.00	5400492.00	4517885.00	6851942.00	5790878.00	5144814.00	4006409.00	6554924.00	4343326.00	5717644.00	4138181.00	5232802.00	4667260.00	5037803.00	4160831.00	3596780.00	3113383.00	4670059.00	7342116.00	5925518.00	5192341.00	4869528.00	2975481.00	7673382.00	7379294.00	2314758.00	5065691.00	3190104.00	7579534.00	6559440.00	4876080.00	2824878.00	5052476.00	2887238.00	4535908.00	6382006.00	5043490.00	3.73E+06	4.39E+06	4.18E+06	5.66E+06	3.56E+06	6.98E+06	3.79E+06	4.35E+06	3.69E+06	3.33E+06
tryptophan	0.00	422855.80	821843.70	632134.00	684607.40	616592.10	532097.90	827021.50	481228.10	999328.80	732839.20	918580.80	606223.80	890594.80	797111.70	912799.40	551982.90	989210.70	634590.90	883274.00	1180558.00	539405.30	579383.90	484163.90	206810.80	1283415.00	859182.20	765221.80	1225180.00	1267996.00	715805.20	743985.80	704068.20	571210.50	792324.20	1041597.00	633558.70	542413.40	566661.20	612101.20	755120.30	452125.30	449464.10	378489.70	265696.80	521813.30	1171185.00	897908.00	623868.90	543595.20	425058.30	575381.00	734878.80	878272.70	303299.50	4.25E+05	6.51E+05	8.77E+05	6.55E+05	3.61E+05	7.16E+05	3.17E+05	4.46E+05	7.02E+05	4.76E+05
tyrosine	2620502.00	4937356.00	6031118.00	3696342.00	3837449.00	6047656.00	4584394.00	2260318.00	5514412.00	3368054.00	3238182.00	3154292.00	3125385.00	3078586.00	4771819.00	2966821.00	5248784.00	7669168.00	6255516.00	7036468.00	2396843.00	6135378.00	4555112.00	3040819.00	2219712.00	4813950.00	2816509.00	3423228.00	2859208.00	4024814.00	2381157.00	3112837.00	2355268.00	2316130.00	2245152.00	3581727.00	7436086.00	8845963.00	3517206.00	5142242.00	2318141.00	5064612.00	6297474.00	1893719.00	5054150.00	1863555.00	3418730.00	4602966.00	3031784.00	1603029.00	3493448.00	1519700.00	2162355.00	3575553.00	2767997.00	3.18E+06	3.65E+06	2.77E+06	4.28E+06	2.24E+06	7.27E+06	2.82E+06	3.31E+06	2.59E+06	3.74E+06
valine	46630040.00	61658710.00	93372700.00	63242260.00	101597200.00	87891320.00	74779970.00	64667160.00	127118800.00	69936970.00	55636560.00	50183840.00	41402130.00	53936820.00	43047550.00	82174740.00	116141500.00	139665700.00	127777700.00	162653100.00	108467600.00	128969500.00	103965500.00	94668120.00	96701450.00	117956000.00	87577660.00	120270700.00	85618920.00	126589800.00	128070500.00	104830700.00	95429770.00	57925680.00	58520420.00	61518400.00	88159690.00	160153600.00	78913220.00	99500100.00	50110080.00	127036000.00	106768800.00	32294130.00	103339800.00	33110030.00	66631690.00	79966430.00	47158690.00	26909710.00	47287570.00	32587490.00	58131240.00	54854810.00	51452270.00	7.52E+07	9.02E+07	7.32E+07	9.39E+07	5.50E+07	1.29E+08	7.35E+07	7.83E+07	6.18E+07	6.16E+07
Hypoxanthine	14720910.00	23676990.00	54798420.00	16555770.00	24950340.00	33914580.00	24087250.00	13062460.00	36002530.00	12561860.00	13825130.00	15564680.00	13983000.00	18825090.00	22501090.00	22362690.00	44054420.00	60077380.00	50082160.00	64032990.00	10422980.00	56171000.00	31205280.00	23411280.00	9788680.00	38773140.00	22178710.00	20926020.00	22719770.00	28895060.00	12298480.00	19391310.00	12482300.00	17485180.00	18041400.00	17867780.00	67173110.00	39084690.00	16932000.00	11854970.00	11354830.00	70444760.00	55620400.00	15207320.00	30257670.00	13542940.00	18906330.00	37684780.00	22795420.00	10869990.00	34176810.00	11513410.00	16671910.00	27601990.00	26536530.00	2.45E+07	1.66E+07	1.62E+07	3.06E+07	1.69E+07	5.19E+07	2.05E+07	2.71E+07	1.35E+07	2.22E+07
Xanthine	937574.50	1159483.00	1902514.00	896751.20	1274611.00	1232819.00	1408683.00	769983.20	1752939.00	918811.00	866231.90	862334.00	832194.00	1224328.00	1018564.00	1192921.00	1824687.00	2137602.00	2041954.00	2924847.00	742348.00	2666918.00	1813630.00	1396872.00	685576.40	1756798.00	1200672.00	1137023.00	1591594.00	1732730.00	822179.50	1374288.00	853846.20	1263308.00	1289779.00	1357028.00	2186473.00	1677920.00	1500490.00	869452.80	891326.70	2340417.00	1822657.00	1144995.00	1360706.00	1095731.00	1428985.00	2290857.00	1320710.00	1279218.00	1519119.00	752415.80	1088083.00	1421571.00	1425650.00	1.70E+06	1.20E+06	1.03E+06	1.77E+06	1.14E+06	2.69E+06	1.20E+06	1.81E+06	8.96E+05	1.28E+06
Guanine	378683.20	441265.80	953710.50	470569.90	387507.80	601757.90	428927.20	328609.90	678009.60	394684.80	341537.50	392565.50	358869.00	357401.00	507114.20	413187.90	521447.00	923187.60	638950.20	879658.50	327971.30	714423.70	541064.50	365368.10	357500.80	541623.80	331775.40	429439.60	407202.00	455627.20	335902.50	329027.30	374900.20	323942.20	321180.70	458654.30	831667.30	556749.30	427164.90	503374.70	332737.20	765181.80	690796.40	292411.20	481649.40	218130.90	332659.00	459507.60	258173.50	249657.20	373913.20	290967.30	437827.50	499594.20	396983.50	4.49E+05	3.58E+05	4.12E+05	3.81E+05	3.13E+05	7.01E+05	3.92E+05	4.06E+05	2.86E+05	3.21E+05
Allantoate	57930.56	81559.23	52661.06	70882.30	100613.00	64920.26	57323.47	77804.88	122313.80	62648.27	73699.62	52983.34	59523.71	66173.67	61381.68	54905.38	157918.50	57096.67	55029.79	92884.22	117702.90	111346.30	97840.79	76713.66	86631.87	48878.81	96732.71	184538.00	62655.48	227981.90	82571.95	86655.98	133248.00	59239.25	129049.50	65342.09	46625.43	55006.51	59357.32	94827.04	68263.20	66516.45	48543.88	77182.66	70276.63	81279.80	68636.52	113292.70	186796.20	252220.80	86323.68	83816.59	83234.66	63339.21	63989.05	9.03E+04	1.05E+05	9.23E+04	1.20E+05	7.67E+04	5.87E+04	5.15E+04	6.67E+04	8.43E+04	7.48E+04
5-Hydroxyisourate	1199570.00	1969009.00	4028101.00	2390182.00	2035514.00	4531916.00	1837678.00	1114799.00	3740517.00	2537413.00	2328059.00	2346091.00	1590778.00	1093542.00	3299841.00	2513734.00	6393284.00	11069830.00	8712483.00	4634332.00	3005592.00	6158790.00	4557998.00	3786296.00	2068637.00	8119882.00	2794498.00	4916428.00	2595874.00	3677157.00	4061032.00	3698802.00	2489349.00	2086042.00	1260415.00	2201917.00	6875898.00	5214174.00	2974818.00	3860199.00	780983.20	5073308.00	6509416.00	672155.40	2928906.00	1501258.00	5138354.00	5808702.00	3395652.00	1111484.00	3116492.00	1255964.00	2920879.00	4582690.00	3147171.00	1.94E+06	2.15E+06	1.69E+06	3.65E+06	1.16E+06	4.97E+06	1.85E+06	1.32E+06	1.22E+06	1.10E+06
Cytidine	513229.90	772944.00	1822498.00	590269.90	729301.20	1165370.00	720789.80	391683.30	1355115.00	580052.20	550060.80	586923.30	409593.40	456621.70	971410.30	887387.60	1625610.00	2049022.00	1457638.00	1658519.00	378772.90	1344633.00	958223.70	676663.00	304748.20	1746528.00	644353.80	790785.10	530061.10	670507.90	372061.80	521680.80	337134.00	463071.00	421347.30	430691.40	1405633.00	862115.20	430150.90	331242.00	203140.00	1339823.00	1808237.00	298682.60	565930.20	291664.70	657478.10	895643.70	389991.20	278167.00	1024680.00	209283.20	402180.70	803250.10	661294.60	6.48E+05	4.32E+05	4.50E+05	6.88E+05	4.09E+05	1.68E+06	5.16E+05	5.41E+05	3.75E+05	4.34E+05
5-6-Dihydrothymine	812339.50	943589.80	1017828.00	969429.20	811708.30	1027304.00	1028379.00	843259.80	1036906.00	1577298.00	1276436.00	1433766.00	1528647.00	950604.30	1858620.00	943929.70	912957.10	1096262.00	1035983.00	931357.70	1056207.00	1240279.00	1141288.00	1236159.00	729660.40	1107172.00	939523.00	1101438.00	1288038.00	1202916.00	1185416.00	1025446.00	1026206.00	924346.00	1021788.00	761499.30	1081182.00	1083226.00	964963.50	1044509.00	845177.50	992568.80	1061300.00	986323.80	813692.50	992150.10	1307916.00	1311507.00	1406916.00	1026058.00	1378678.00	901350.50	1156114.00	1224370.00	1301439.00	8.57E+05	9.59E+05	9.01E+05	9.71E+05	1.02E+06	1.09E+06	1.04E+06	9.74E+05	9.79E+05	9.83E+05
4-Pyridoxate	486486.90	351892.80	386072.50	385571.70	191895.50	261412.30	327272.50	388948.40	303534.60	284989.90	342330.80	251732.90	391174.80	245851.70	247081.60	620811.20	649034.20	397482.10	505534.20	562127.80	623453.90	391182.60	658701.70	638658.80	802234.30	485156.60	527746.10	600349.90	462608.70	502951.10	542846.80	668559.20	617238.60	625462.40	662552.10	529366.90	306159.90	417515.10	582407.20	472161.60	356748.20	371343.30	255860.90	329311.30	371022.40	463824.50	679537.10	356335.10	626216.60	581832.70	597325.20	691859.80	814810.70	561959.10	609238.60	4.75E+05	3.67E+05	4.67E+05	5.44E+05	5.18E+05	3.38E+05	4.92E+05	4.11E+05	4.23E+05	3.21E+05
Nicotinamide	35412210.00	49648720.00	75449020.00	52261890.00	37386270.00	66306160.00	49621040.00	35938500.00	67551590.00	48424210.00	54093490.00	47557260.00	45527810.00	37291710.00	61072480.00	51276980.00	65703280.00	99227530.00	80417060.00	67705300.00	53375550.00	100745000.00	73394380.00	49296020.00	51539080.00	77858630.00	39851150.00	59011640.00	45004850.00	53257700.00	45836880.00	47479620.00	39668970.00	37149150.00	31337710.00	50379920.00	80598950.00	92033090.00	48405500.00	64251230.00	33640280.00	68321620.00	84731750.00	28204070.00	80476860.00	36059530.00	54414320.00	61662080.00	49081890.00	27887110.00	50808760.00	27606880.00	40566440.00	60581900.00	42638890.00	4.58E+07	4.36E+07	4.53E+07	5.54E+07	3.44E+07	1.14E+08	4.82E+07	4.03E+07	3.58E+07	3.97E+07
Adenine	2599989.00	3121150.00	4102437.00	3198097.00	2497059.00	3572273.00	3122250.00	2300230.00	3221825.00	2997519.00	3081241.00	2948535.00	2606797.00	2455146.00	2931669.00	2724346.00	2862364.00	5210182.00	3967919.00	4742171.00	3155161.00	3825712.00	4393494.00	3388144.00	3277017.00	2955075.00	2402779.00	3179128.00	2679854.00	2749054.00	3343376.00	3328916.00	3102157.00	2998224.00	2702671.00	2715938.00	3801387.00	4523546.00	2567242.00	3660029.00	2987727.00	3596168.00	4246030.00	2779880.00	3718751.00	2160647.00	2763153.00	3062714.00	2646197.00	2266883.00	3490571.00	2647448.00	3206336.00	3567806.00	3108328.00	2.66E+06	3.05E+06	2.76E+06	3.42E+06	2.72E+06	4.39E+06	3.31E+06	3.10E+06	2.85E+06	3.12E+06
Adenosine	13878110.00	19885230.00	40465590.00	19707330.00	14180600.00	18989600.00	16263430.00	9035010.00	17027070.00	15708650.00	14506280.00	14356000.00	12347570.00	12013080.00	13456760.00	9838315.00	8228316.00	39898070.00	21219370.00	42632000.00	11858880.00	19249790.00	21335360.00	13428390.00	13144490.00	13813480.00	8065244.00	12535850.00	9173077.00	11683280.00	14266920.00	13201440.00	10746400.00	10679550.00	7017066.00	13439710.00	16507150.00	23782050.00	9732599.00	19474800.00	7171960.00	15116400.00	18150760.00	5482162.00	19841050.00	5104412.00	7621850.00	8426447.00	9311039.00	3723658.00	11117380.00	5643556.00	7305714.00	9661415.00	9068645.00	1.11E+07	8.91E+06	8.07E+06	1.12E+07	7.30E+06	1.81E+07	1.13E+07	7.31E+06	6.74E+06	6.82E+06
Guanosine	346588.50	454593.90	1552607.00	372228.70	413248.40	757267.80	428955.10	241860.10	764387.00	311956.30	262053.40	290588.80	287629.00	323450.10	391754.60	252156.30	545272.70	1067027.00	718766.60	1279243.00	252228.60	791194.20	543923.30	424288.80	201542.50	703240.20	225652.10	265314.40	241753.80	321232.80	232798.60	298436.50	190250.50	215131.00	256459.30	403437.30	1169004.00	768357.00	294091.50	274733.70	188428.60	1231420.00	985884.30	216792.20	500320.20	126450.00	268510.20	443546.00	267773.90	97374.54	348162.50	148992.60	213276.00	363630.50	303710.70	3.98E+05	2.08E+05	1.61E+05	4.96E+05	2.60E+05	1.05E+06	2.54E+05	4.21E+05	1.68E+05	2.58E+05
Inosine	1310787.00	1961114.00	4987488.00	1069523.00	2158940.00	2906913.00	1712018.00	956516.50	2910727.00	1046495.00	836107.80	952802.80	845069.50	1663887.00	1368857.00	1236516.00	2477844.00	3400170.00	2671495.00	5403219.00	820788.60	3251297.00	1729802.00	1437969.00	725861.50	2124463.00	1385738.00	1458602.00	1649896.00	1656889.00	578921.80	1065121.00	854702.30	1392304.00	1406753.00	1404087.00	4092481.00	2193661.00	1404970.00	960812.00	962426.30	4132523.00	2471711.00	1561329.00	1790474.00	1299454.00	947725.80	1580685.00	1182530.00	1126375.00	2118774.00	1016113.00	1300631.00	1425698.00	1428055.00	1.75E+06	1.31E+06	1.48E+06	1.66E+06	1.29E+06	2.46E+06	1.34E+06	2.84E+06	9.77E+05	1.92E+06
Uracil	609077.90	613590.20	918089.70	758957.80	909014.00	943907.60	893722.30	677453.60	1126630.00	716166.10	688685.60	728474.70	607699.60	728144.80	624589.80	1156878.00	1770697.00	1494760.00	1716179.00	2055972.00	963827.10	1811875.00	1453094.00	1322774.00	980982.50	1573022.00	1030475.00	1236113.00	1031738.00	1201948.00	921832.00	1310554.00	934871.10	1060448.00	1162481.00	1027059.00	1348146.00	1413245.00	1155828.00	997745.50	949879.70	1872124.00	1926593.00	995069.20	1330715.00	835447.30	1313758.00	1667572.00	919478.50	875667.20	1535259.00	944722.10	1052991.00	1145764.00	1347660.00	1.37E+06	1.03E+06	1.02E+06	1.69E+06	1.25E+06	1.86E+06	1.28E+06	1.48E+06	1.07E+06	1.15E+06
Purine	201476.40	240654.70	219537.50	280229.00	309742.70	211974.80	295221.20	350700.20	281137.00	248026.00	267520.20	321649.00	313061.20	348293.80	270114.80	284750.20	272430.00	189938.40	177199.50	266995.40	390679.80	211619.30	223561.90	293997.50	353514.40	230753.20	365672.90	286977.50	382331.40	262064.00	300507.00	297179.20	318617.20	398778.30	365318.50	273696.80	203582.40	244435.40	363938.20	233622.00	404011.90	232811.00	131698.70	401642.30	246453.50	385619.00	292265.10	246637.90	335996.80	407176.00	326968.90	381441.90	321821.30	265141.20	279034.90	3.73E+05	3.06E+05	3.76E+05	2.94E+05	3.51E+05	2.12E+05	3.11E+05	3.73E+05	3.64E+05	3.50E+05
2-3-Bisphosphoglycerate	46533.07	72535.70	42605.71	63826.02	106081.90	33773.32	70532.77	49286.59	42580.99	33794.82	27487.27	38916.33	55899.43	74467.54	31153.98	111486.70	109319.70	75257.19	54125.54	131216.50	92828.93	71283.22	96016.38	102892.20	114562.50	97003.50	114431.00	105020.80	139371.20	117143.90	110685.70	139936.10	134660.50	111973.10	120557.60	86778.79	45857.33	59092.11	77904.45	91402.21	33371.77	64465.97	54552.64	17483.27	96605.25	115934.50	90510.34	34902.38	106052.10	81543.48	58236.08	64874.48	109155.40	65079.41	73862.77	8.04E+04	7.50E+04	5.94E+04	9.03E+04	4.73E+04	2.82E+04	4.74E+04	3.99E+04	4.53E+04	3.98E+04
Glutathione	60285420.00	80285000.00	110518900.00	88956470.00	62711280.00	108752600.00	80677420.00	53454580.00	134277800.00	107848000.00	81020350.00	78148210.00	80253370.00	54353850.00	88490220.00	63738810.00	101976600.00	71081810.00	52106060.00	77861050.00	84541120.00	100026600.00	94705300.00	78189060.00	59991440.00	116460800.00	49322200.00	85100170.00	55161420.00	57118180.00	63305220.00	51110030.00	50376950.00	43191360.00	36129610.00	75921850.00	95994920.00	134047300.00	63903860.00	117976400.00	54252330.00	125880000.00	108189500.00	38312010.00	117549300.00	49024940.00	51501180.00	45950580.00	56239560.00	30997070.00	65776000.00	39863400.00	65396500.00	101685200.00	59402110.00	4.95E+07	5.58E+07	5.89E+07	5.33E+07	3.91E+07	7.70E+07	6.19E+07	5.68E+07	4.56E+07	5.18E+07
Glutathione disulfide	640904.80	2079092.00	3271481.00	1607924.00	1355276.00	3612356.00	2620093.00	1050107.00	2280820.00	1503764.00	1851806.00	1095062.00	1099573.00	776075.60	2985824.00	1842604.00	3317536.00	10047590.00	6165052.00	5126432.00	2095003.00	4285811.00	4096709.00	2662995.00	886054.30	2660983.00	1662506.00	2955890.00	1572599.00	4107161.00	1598338.00	2414780.00	1371349.00	756073.40	646055.10	3178665.00	6275642.00	4858650.00	2831762.00	3582081.00	617732.80	3196000.00	6029734.00	639504.40	2660350.00	1593953.00	3918665.00	6355208.00	2940453.00	1214254.00	2380158.00	543648.80	1591667.00	2623656.00	2217822.00	2.05E+06	2.61E+06	1.14E+06	2.60E+06	9.62E+05	3.98E+06	1.33E+06	1.00E+06	1.03E+06	7.82E+05
5-Oxoproline	16490320.00	20786060.00	31126800.00	21436480.00	18015200.00	32398580.00	21029940.00	16762620.00	34516390.00	23670540.00	20783720.00	24224590.00	20008630.00	14912840.00	25603580.00	22999690.00	41384280.00	53983320.00	40661970.00	37648600.00	28102060.00	41886560.00	36072620.00	32299460.00	26022570.00	38545720.00	21699180.00	29566820.00	22241920.00	30348600.00	30044530.00	28577090.00	23249410.00	22243770.00	20751090.00	24581190.00	42100400.00	43115790.00	30675110.00	34659120.00	16342480.00	43610830.00	43979250.00	15114580.00	35062400.00	17353160.00	32612340.00	32661180.00	27861700.00	15677560.00	24782150.00	15726070.00	26273400.00	30489800.00	27075880.00	2.32E+07	2.15E+07	2.23E+07	3.36E+07	1.83E+07	4.31E+07	2.75E+07	2.20E+07	1.98E+07	2.11E+07
gamma-L-Glutamyl-D-alanine	77667.26	162398.90	295902.70	115894.30	67133.35	361727.10	182213.80	81711.28	237148.50	193004.70	159153.50	102991.30	48446.01	75215.91	171227.90	122640.10	231079.60	413723.20	504650.10	269557.10	142839.90	319470.60	279049.00	214367.70	89240.21	242261.90	69536.63	168977.50	53323.09	194032.60	64544.37	107423.30	101155.30	62812.66	122943.90	143317.70	467857.40	438645.30	212750.20	199939.50	54193.65	364109.80	527350.10	28191.44	218322.00	36452.48	257603.80	288732.50	141424.40	90138.90	135575.40	95437.63	114483.70	288991.10	157679.40	1.09E+05	2.15E+05	5.11E+04	2.59E+05	1.00E+05	3.30E+05	1.58E+05	8.39E+04	8.03E+04	1.13E+05
(5-L-Glutamyl)-L-glutamine	140309.90	409383.80	929015.40	390507.00	326397.20	744803.20	374948.70	182547.80	580993.20	395654.90	355673.80	289393.60	269821.40	324559.60	538242.10	419430.50	906857.10	2019504.00	1895498.00	1211740.00	490680.00	1103585.00	832450.10	782425.20	363177.80	938542.30	453067.50	774975.60	406828.50	730763.20	641181.10	580458.40	478118.70	353344.60	511505.80	497289.20	1293638.00	1144998.00	718398.20	750511.80	231741.90	1221916.00	1424070.00	162935.90	881972.50	287939.00	1130821.00	1079240.00	655074.00	247004.40	606999.30	272018.80	404323.30	1049589.00	807135.30	3.12E+05	3.80E+05	2.53E+05	8.60E+05	2.70E+05	9.32E+05	3.77E+05	3.08E+05	2.47E+05	2.78E+05
N-N-Dimethylglycine	1161789.00	1502846.00	1998543.00	1501666.00	1344270.00	1831884.00	1471825.00	1118320.00	1851817.00	2003807.00	1368753.00	1608609.00	1431936.00	1034302.00	1842032.00	1701161.00	2358025.00	2940846.00	2543334.00	2632004.00	1913417.00	2611600.00	2092471.00	1835554.00	1769463.00	2210833.00	1696339.00	2549302.00	1399950.00	2298354.00	1721979.00	1801257.00	1512363.00	1403854.00	0.00	1683970.00	2355911.00	2542547.00	1831637.00	1964601.00	1433367.00	2264788.00	2406247.00	1323156.00	2100950.00	1654844.00	3205137.00	2485710.00	2135865.00	1636442.00	2803386.00	1460528.00	1840214.00	2207147.00	2003041.00	1.60E+06	1.64E+06	1.50E+06	1.97E+06	1.21E+06	2.12E+06	1.50E+06	1.55E+06	1.39E+06	1.35E+06
D-O-Phosphoserine	535298.60	601027.70	1400238.00	707036.10	358752.90	1496689.00	703870.20	417739.70	1490864.00	964769.60	911275.80	804259.10	576154.20	286579.20	1195323.00	518534.20	825631.10	1131006.00	953077.00	582152.40	468083.30	988830.20	734755.60	596043.80	361653.50	916033.30	293235.00	589776.30	295919.50	379002.50	499246.90	351678.50	331693.50	192447.40	187636.30	540787.20	1283301.00	1615640.00	730096.20	992939.10	245507.50	1213615.00	1652205.00	186075.80	672808.50	170122.10	741083.60	612561.90	436959.90	182080.30	415887.00	139861.10	354363.60	549195.50	234722.90	4.95E+05	4.31E+05	4.23E+05	8.18E+05	2.90E+05	1.62E+06	6.52E+05	4.40E+05	3.69E+05	3.17E+05
S-Adenosyl-L-homocysteine	303008.60	649645.90	1013665.00	615094.90	392017.80	783659.70	585900.90	330015.40	732009.20	419227.10	652056.20	452215.60	476438.60	416985.50	894811.00	475788.80	547321.30	1223874.00	783095.30	1092956.00	482473.80	908481.00	597097.40	616222.70	214283.80	973268.90	475254.50	516605.50	476108.70	681610.10	517331.30	645448.20	377604.50	400253.50	285860.80	341695.00	1317978.00	786201.80	324897.20	334908.40	161641.00	857713.70	877688.90	158255.80	885532.20	218325.40	690004.00	1158701.00	606713.30	272259.20	935534.60	323483.70	714933.50	1048318.00	1258083.00	4.73E+05	4.35E+05	4.82E+05	6.04E+05	3.74E+05	8.54E+05	5.35E+05	7.16E+05	3.05E+05	3.91E+05
S-Adenosyl-L-methionine	472351.50	598798.40	744264.20	623334.40	428514.50	933044.40	613484.10	393601.60	799527.00	682039.60	538396.70	636577.00	474064.50	345812.60	796709.40	478384.90	837669.70	1413976.00	828256.80	632217.70	612139.10	813534.30	761990.20	591456.20	635540.20	733968.20	303223.70	649632.20	343155.50	489968.40	526878.80	422090.30	391492.80	321420.80	330399.30	555018.90	854124.50	788243.80	569657.80	741935.20	301184.50	773859.80	1009835.00	290218.90	858695.80	329053.90	642908.80	702531.80	407668.20	291395.70	423364.20	305824.30	421328.50	614762.40	490124.00	4.80E+05	4.58E+05	4.20E+05	5.11E+05	3.42E+05	9.01E+05	5.00E+05	3.73E+05	3.97E+05	4.06E+05
L-Citrulline	928933.20	1473523.00	2247550.00	1214179.00	1091173.00	2022636.00	1576810.00	918361.40	3330223.00	2108594.00	1639696.00	1615778.00	2031922.00	1212272.00	1721745.00	845244.80	1135950.00	1907776.00	1814524.00	1403622.00	1229027.00	1722769.00	1292979.00	1130342.00	825766.50	1713188.00	1038398.00	1350705.00	880484.90	1252598.00	1270356.00	1533932.00	1195999.00	832027.80	936330.70	892361.00	1498142.00	1447181.00	1175670.00	1403987.00	481744.40	1634963.00	1987460.00	362954.80	1094059.00	658812.30	1756132.00	3235083.00	1855886.00	789925.80	2087210.00	844493.50	1590919.00	1252078.00	1510685.00	1.18E+06	1.08E+06	1.13E+06	1.51E+06	1.30E+06	2.02E+06	1.64E+06	1.69E+06	1.00E+06	1.02E+06
Putrescine	468838.60	443895.90	362466.80	413130.50	450148.80	373643.60	408090.50	496842.90	494611.00	597654.70	456188.40	500558.90	650222.80	663674.20	476195.00	726272.10	659239.10	515380.20	512374.80	545275.30	728098.40	593343.90	642993.20	718855.10	1060675.00	701643.10	985698.50	795789.20	819693.00	805707.70	708675.60	870764.40	696748.40	877789.00	934004.20	569984.00	401781.40	450611.70	457982.30	508220.00	559606.20	494994.20	431261.80	501990.70	650742.60	1311738.00	1074692.00	986666.20	1101856.00	1501892.00	1368208.00	1286245.00	1482464.00	1073606.00	1759420.00	4.28E+05	5.51E+05	5.42E+05	4.83E+05	5.02E+05	3.88E+05	4.66E+05	5.18E+05	5.04E+05	5.28E+05
Spermidine	6453974.00	8166202.00	9119965.00	8498823.00	11631540.00	8265114.00	7168298.00	11852150.00	10188620.00	7700440.00	7457106.00	8971106.00	12323250.00	7722322.00	8112372.00	10936740.00	10141970.00	11718880.00	9254025.00	13794300.00	10040990.00	9043099.00	11033810.00	12312710.00	29138140.00	11190350.00	10917480.00	9863985.00	11398640.00	14089410.00	9172798.00	11756340.00	11457990.00	10168720.00	14118570.00	12626070.00	8473661.00	10673400.00	13378700.00	13061480.00	15002040.00	9568976.00	8317486.00	8674047.00	22770930.00	12184410.00	10640540.00	11211360.00	11509150.00	17495920.00	9328447.00	7810996.00	11805120.00	8387826.00	11322570.00	1.02E+07	1.60E+07	1.66E+07	1.77E+07	1.47E+07	8.50E+06	1.36E+07	1.31E+07	1.27E+07	1.18E+07
Spermine	381802.30	435029.60	480264.80	500369.80	713859.00	463655.60	500057.20	815142.30	555832.50	507240.70	464264.80	576456.00	769709.10	411092.60	501656.20	468183.30	371417.40	380197.00	342703.50	560463.80	277997.80	206897.40	225148.80	299002.80	239987.80	444159.40	326174.80	319998.20	461661.90	432940.50	223510.60	243757.50	278956.80	195213.20	172134.50	428935.40	250918.60	297100.00	437552.20	404989.00	231280.20	126451.30	129647.60	203766.60	209617.90	501911.70	335463.50	289841.00	313733.40	642421.20	117339.20	125805.50	189361.50	117361.20	146274.90	4.47E+05	5.29E+05	5.42E+05	5.54E+05	4.87E+05	1.09E+05	2.46E+05	2.17E+05	2.22E+05	2.15E+05
Homocarnosine	12863.73	63422.30	62244.71	57826.42	23459.76	68208.85	55276.53	37350.51	70688.34	97391.27	79445.15	108268.30	86922.31	49209.39	143059.70	103459.10	97269.79	157359.40	161239.60	149280.00	122241.20	162024.90	102073.00	124849.30	81951.35	213356.10	160484.80	143891.80	192914.50	181592.90	235904.60	247347.00	219032.90	133080.60	186103.90	40050.18	84090.84	55059.84	41703.14	52187.33	22300.17	67804.57	88091.02	23790.46	62048.36	64236.36	133739.50	101277.00	122282.60	31048.81	188432.60	78171.38	168331.30	156732.50	138931.70	4.67E+04	1.32E+04	3.28E+04	6.13E+04	3.01E+04	5.13E+04	5.00E+04	2.58E+04	3.60E+04	3.76E+04
Phosphocreatine	861436.00	726689.50	718141.40	960798.10	811309.00	528548.80	848516.50	899410.80	659824.80	1235474.00	1115341.00	1060852.00	1665312.00	1371632.00	1951363.00	805422.80	299869.50	686867.00	325948.40	426996.90	1817001.00	420656.40	573401.90	723389.70	1227600.00	356824.90	663727.70	545569.20	947110.80	656065.80	1030834.00	974198.40	1154516.00	955246.60	968966.50	1217884.00	493049.40	401211.40	849579.30	1366140.00	985067.20	586236.60	506053.40	900301.50	780444.30	2040378.00	1635441.00	1565301.00	1769968.00	1577791.00	1148888.00	2070883.00	2437146.00	1219300.00	1533170.00	9.16E+05	9.12E+05	1.01E+06	8.06E+05	1.00E+06	2.42E+05	8.75E+05	6.18E+05	9.00E+05	6.49E+05
Creatine	110317800.00	181716400.00	291835600.00	228048800.00	120655500.00	273975900.00	195125500.00	119237400.00	277761200.00	213299300.00	178732900.00	219460100.00	168235000.00	108211600.00	297902900.00	243905800.00	280295500.00	401154200.00	393066400.00	236242200.00	246381600.00	398139200.00	242741200.00	271916800.00	288841900.00	318970000.00	170709400.00	207471400.00	209132000.00	183213500.00	276693500.00	270901100.00	212625300.00	159900000.00	102281500.00	223274900.00	340691200.00	372443400.00	248502300.00	224476000.00	94487050.00	373050400.00	425911900.00	108489300.00	311686000.00	201323600.00	417891600.00	436618000.00	306213300.00	151328200.00	485630800.00	148791100.00	344385200.00	311164600.00	293225700.00	2.06E+08	1.41E+08	1.84E+08	2.36E+08	1.10E+08	3.36E+08	1.54E+08	1.26E+08	1.52E+08	1.61E+08
Creatinine	1488521.00	1809367.00	2407971.00	2361932.00	1451897.00	3091960.00	2311915.00	2274384.00	2792888.00	4132877.00	3010146.00	3786613.00	4406552.00	2443571.00	5653044.00	3249916.00	3186013.00	4527088.00	3748194.00	3714759.00	3312603.00	4201748.00	4208386.00	3759482.00	3425132.00	7831420.00	6142892.00	4628242.00	5473766.00	6650232.00	7144488.00	7887226.00	7240928.00	5741864.00	4627860.00	2318490.00	18035900.00	3717147.00	3406120.00	3561503.00	3494131.00	3812075.00	4867420.00	3056027.00	3855664.00	7959684.00	24115680.00	30948970.00	21792590.00	10699560.00	21770390.00	7961536.00	21062500.00	19518750.00	21912780.00	2.61E+06	3.16E+06	3.61E+06	3.68E+06	3.20E+06	4.34E+06	3.60E+06	3.45E+06	3.48E+06	3.25E+06
Guanidinoacetate	309525.50	476729.10	697533.40	579282.00	525242.80	819574.30	489899.60	321688.20	881479.00	516866.20	532836.30	499664.80	360252.00	358007.80	668005.70	496433.00	879402.60	845924.10	883032.30	1641459.00	604357.60	888845.20	642196.30	638692.90	598084.40	990549.60	452254.60	896137.70	401072.20	806314.90	475748.40	605319.20	432503.30	385045.20	346050.90	259406.40	1545486.00	525218.90	340908.40	378574.80	169995.80	511259.20	529661.40	121720.20	564701.30	230595.10	572136.40	664222.20	364510.40	297239.40	454807.70	278204.00	443671.10	600679.70	608282.10	2.98E+05	3.11E+05	4.70E+05	4.93E+05	3.16E+05	6.52E+05	4.45E+05	3.31E+05	3.85E+05	3.24E+05
trans-4-Hydroxy-L-proline	1017315.00	1275231.00	2885408.00	1654986.00	824665.00	2142018.00	1114204.00	750024.50	2359592.00	2016033.00	2055572.00	1793423.00	1759096.00	786607.80	2465062.00	1788127.00	2357730.00	3227099.00	3098536.00	2489001.00	1942438.00	2585652.00	2445764.00	1774519.00	1827407.00	3250923.00	2149567.00	2480231.00	1011886.00	2049712.00	1667465.00	2165727.00	1251084.00	1121623.00	1453323.00	1650654.00	2627453.00	2159775.00	1419796.00	1311516.00	1006049.00	2191412.00	2608516.00	685123.70	1915985.00	733951.50	1541454.00	2176490.00	1688807.00	845664.90	1289742.00	912058.50	1258238.00	2163862.00	1246973.00	1.20E+06	1.54E+06	1.43E+06	1.37E+06	1.49E+06	1.95E+06	1.78E+06	1.23E+06	1.06E+06	1.22E+06
Pantothenol	95746.18	178736.20	149982.20	144828.10	83775.79	224950.00	152640.20	126160.00	150066.00	286247.70	270877.30	368186.70	242568.50	116014.80	235169.00	111721.60	116152.60	204806.80	174947.90	156343.00	141720.60	173020.20	109489.60	124032.00	10266.57	165970.50	182506.90	150076.50	113603.20	98183.53	145128.60	122497.90	111118.80	99751.99	87949.97	119493.70	258587.10	223452.80	163319.00	151398.70	110010.80	194739.50	168957.20	79056.74	136260.30	182215.20	211669.70	234784.90	207454.80	125538.40	237294.90	111909.40	177897.10	188876.40	164055.90	1.55E+05	1.15E+05	1.78E+05	1.68E+05	6.32E+04	2.01E+05	1.16E+05	1.21E+05	1.01E+05	1.40E+05
Taurine	59515410.00	74396420.00	90342210.00	74529530.00	54760370.00	86154210.00	70893780.00	55872380.00	81502060.00	80521770.00	79608090.00	86549830.00	66753400.00	50978850.00	102373100.00	70694900.00	83542200.00	96886890.00	104138300.00	74827370.00	74023330.00	89876990.00	81235620.00	73292220.00	56233850.00	94301780.00	60144940.00	72521500.00	66067680.00	75302630.00	76704280.00	71005410.00	60012370.00	55495120.00	45829100.00	68850320.00	90316900.00	84354660.00	63399070.00	67309080.00	39564080.00	82510170.00	86723550.00	39262420.00	64874290.00	55355800.00	92976100.00	100753200.00	75967710.00	46074180.00	93540260.00	51465330.00	70900570.00	87302410.00	83872420.00	6.69E+07	5.87E+07	6.28E+07	6.87E+07	5.07E+07	8.75E+07	6.22E+07	5.53E+07	5.17E+07	5.33E+07
Hypotaurine	1287868.00	1981708.00	2163710.00	1752156.00	2833509.00	2313572.00	1805623.00	1259932.00	2855367.00	1011124.00	1170516.00	867314.50	871394.80	1823100.00	688360.00	1288298.00	1946952.00	3142521.00	1892442.00	4753394.00	882255.40	1989060.00	1608006.00	1242541.00	937193.40	2050056.00	1033062.00	2365569.00	1468181.00	1872649.00	1543182.00	1945376.00	1515754.00	839547.70	1175702.00	1208823.00	1700962.00	2700478.00	1097356.00	2134616.00	926355.20	1793979.00	2395989.00	809463.00	1137223.00	491761.30	822931.90	751870.20	713066.10	265047.10	597934.00	395616.70	342761.90	627684.20	590741.80	1.15E+06	1.28E+06	7.55E+05	1.53E+06	7.98E+05	1.89E+06	5.19E+05	9.20E+05	1.37E+06	8.81E+05
Cys-Gly	667186.80	767412.60	1077278.00	851491.20	658350.70	1112613.00	721334.20	485565.20	1002292.00	916505.20	811424.90	675808.00	755268.30	565085.90	885688.60	680310.60	883338.30	673906.80	544394.20	811180.00	686020.10	1044198.00	796954.70	635802.40	770083.90	995329.50	504059.50	757546.50	590711.70	583320.50	642976.10	539301.20	597516.90	530306.70	442212.50	640783.10	891293.70	1120940.00	602297.40	885654.60	520375.80	1280217.00	1056726.00	347629.80	1339068.00	374399.50	665793.80	450987.50	435435.30	330074.20	754963.10	456456.30	712513.20	1024609.00	584676.80	5.69E+05	5.06E+05	5.19E+05	5.88E+05	3.84E+05	7.86E+05	5.69E+05	6.38E+05	3.99E+05	5.10E+05
Indole-3-acetaldehyde	19161.69	174832.70	62546.89	102539.00	20491.00	338131.50	252830.60	209317.80	27393.56	22953.34	95529.35	45841.53	18764.35	160873.60	173769.00	177918.80	168323.30	611274.80	403269.50	88729.96	61006.90	12794.52	54266.58	37126.19	65320.75	79098.09	151913.40	65078.53	51542.30	32276.99	103918.40	42569.67	30969.05	5823.93	7400.92	65776.60	126321.80	37937.35	48968.24	71269.57	28911.10	34111.25	141329.90	62682.62	54437.10	53823.04	65557.91	38682.68	44238.84	28212.90	21154.94	26389.07	16473.68	10862.75	0.00	3.71E+04	6.67E+04	4.80E+04	5.63E+04	8.27E+03	1.65E+05	1.08E+04	7.75E+03	2.80E+05	7.85E+04
6-Hydroxykynurenic acid	24122.04	146087.70	261469.10	184054.90	76915.68	132151.30	48199.68	5821.21	165405.60	83189.28	82873.55	31979.75	19869.58	51864.96	37552.11	119359.10	346292.50	241013.10	307133.90	277502.40	210839.30	728108.10	427056.60	263267.00	141344.60	239329.10	67444.20	111841.10	108098.70	131839.80	178138.60	231950.70	86504.03	170510.90	161257.50	288890.30	673667.20	687994.60	328545.60	207044.00	13986.59	280758.10	223100.90	22577.83	326001.40	183941.60	387253.50	615143.80	202508.70	107952.60	267361.30	13672.85	126054.50	188290.70	154782.10	3.14E+05	1.59E+05	2.00E+05	2.46E+05	1.22E+05	2.20E+05	4.96E+04	9.37E+04	2.03E+04	3.95E+04
L-Adrenaline	243103.50	357046.80	301695.90	358578.80	304183.00	544569.00	323087.20	468014.50	386376.10	352307.80	341166.60	295033.70	353601.00	208885.30	266652.50	248742.80	309888.10	340471.90	212010.40	284716.90	206543.50	301889.80	285841.00	206138.00	437433.60	298773.40	217578.00	253116.10	285432.20	248145.90	216062.00	247472.60	263644.50	192338.10	188953.40	271470.60	212374.50	325865.70	198015.00	293167.20	252535.60	244437.90	367555.90	144916.80	678521.00	107176.50	129529.40	226945.50	147802.20	79535.59	170306.20	119629.10	128032.50	133137.20	134998.70	3.31E+05	3.37E+05	2.49E+05	4.54E+05	2.57E+05	3.51E+05	2.58E+05	3.60E+05	3.55E+05	2.35E+05
L-Carnitine	158326000.00	236185900.00	273847500.00	234272400.00	170590300.00	404547000.00	219971100.00	251477000.00	323067000.00	239623600.00	217178500.00	214082900.00	221997600.00	115453300.00	218557400.00	169031300.00	241741800.00	323561000.00	260349600.00	210744300.00	197198200.00	274471700.00	227676000.00	191050500.00	220686500.00	276149200.00	131287000.00	176628000.00	180758700.00	161474200.00	213882700.00	188560100.00	186924600.00	141628200.00	127427800.00	183220900.00	270757000.00	306969300.00	192022400.00	249696900.00	139430700.00	244137600.00	347816600.00	87340310.00	305454100.00	93302010.00	161215000.00	186972800.00	118258600.00	71063030.00	138786400.00	84210660.00	153623400.00	152643400.00	132506600.00	2.13E+08	2.42E+08	2.08E+08	3.13E+08	1.90E+08	3.57E+08	1.98E+08	2.17E+08	2.12E+08	1.73E+08
O-Propanoylcarnitine	4730904.00	7349098.00	8284652.00	6435792.00	4682408.00	8193946.00	6906164.00	3271401.00	9423948.00	5161386.00	5820952.00	4401380.00	5444642.00	4306768.00	4929230.00	3386799.00	5227122.00	5961850.00	3655404.00	3813978.00	4420818.00	3946408.00	3978427.00	2971681.00	4034585.00	6169886.00	1781694.00	3763240.00	2680216.00	3238235.00	2395376.00	1978676.00	2342115.00	1953946.00	2242040.00	4218188.00	3952686.00	6692086.00	2846507.00	4868386.00	3307998.00	3389008.00	5267468.00	1823929.00	5400896.00	2136527.00	2292732.00	2851327.00	1797680.00	1238969.00	2775017.00	2133000.00	2664899.00	3461034.00	1976748.00	3.04E+06	3.98E+06	5.08E+06	4.04E+06	4.55E+06	8.60E+06	4.41E+06	5.11E+06	3.33E+06	3.64E+06
O-Butanoylcarnitine	2890329.00	4396602.00	5331004.00	3651648.00	3585545.00	4352316.00	2920360.00	3319445.00	3807783.00	3777386.00	5233548.00	3520800.00	3987587.00	4911462.00	3623052.00	3196510.00	2659907.00	3640505.00	3339721.00	3112828.00	3781665.00	4925014.00	3475883.00	3625681.00	1401375.00	4360504.00	3044636.00	3982244.00	3247134.00	2172867.00	3586102.00	2778370.00	2931769.00	2782058.00	5946656.00	2609012.00	3320996.00	4152068.00	3409107.00	5318310.00	4123001.00	2993792.00	3930823.00	2479600.00	2436976.00	2717935.00	2477973.00	3650378.00	2619378.00	3424280.00	2008179.00	3097280.00	2147735.00	2848398.00	1114271.00	1.88E+06	4.40E+06	3.07E+06	2.08E+06	2.12E+06	2.16E+06	2.04E+06	2.46E+06	1.93E+06	2.22E+06
L-Octanoylcarnitine	133713.90	126848.90	97407.69	113565.70	133158.70	71291.98	132251.00	92348.43	94377.98	125697.50	127599.20	156321.20	154376.60	154689.10	80554.20	101685.10	143206.40	171346.40	234038.20	181287.60	146637.40	151763.70	230684.20	213419.50	129925.90	86215.16	188401.20	149301.60	160712.20	175724.20	186175.00	202242.80	217651.80	259419.50	257846.00	278757.30	203777.70	247994.60	240769.40	220872.50	404681.40	382823.60	404005.80	510977.00	144603.00	274073.50	256073.30	194761.10	218116.20	256435.60	180368.20	371289.20	369138.50	405759.90	264447.00	2.44E+05	2.25E+05	2.30E+05	2.72E+05	2.56E+05	3.14E+05	3.71E+05	3.96E+05	4.45E+05	3.34E+05
Acetyl phosphate	16186.57	32828.92	51849.56	38232.68	33836.04	43727.72	53769.22	42732.77	28206.94	35301.36	23734.80	50864.23	12327.64	36827.19	73928.57	29282.81	52564.75	92833.68	50805.44	81998.88	50798.43	57484.59	37205.77	18857.32	31492.02	53601.25	46047.11	67269.47	22601.51	53794.36	41991.04	32593.70	48243.44	52373.44	30357.96	41222.71	78589.63	29401.31	70089.15	48198.92	39931.96	60772.27	64498.75	63772.09	20546.77	50525.08	36254.10	41088.93	36170.72	45293.05	37983.66	33304.70	32980.34	19864.44	49683.72	3.77E+04	6.52E+04	6.63E+04	7.97E+04	4.78E+04	4.58E+04	4.55E+04	3.48E+04	5.18E+04	6.55E+04
Triacanthine	292879400.00	323693300.00	513344900.00	463025200.00	260352600.00	444467900.00	397554800.00	208642600.00	492163700.00	304060000.00	351112500.00	276905700.00	239496300.00	221491300.00	425708600.00	411531400.00	519403500.00	708246500.00	489928800.00	476875600.00	403448500.00	427370600.00	577719500.00	367554600.00	514632800.00	594336600.00	323015700.00	514708200.00	344585500.00	502617900.00	381985700.00	345888900.00	320098100.00	267797400.00	278095200.00	334327500.00	393083100.00	474620700.00	283309200.00	359823100.00	256314400.00	324029400.00	426732400.00	155300000.00	465031300.00	275220900.00	351993300.00	501454800.00	281455500.00	158717800.00	301128600.00	187981200.00	278987400.00	433018200.00	301784300.00	2.73E+08	3.08E+08	3.51E+08	2.86E+08	2.22E+08	3.54E+08	3.33E+08	2.15E+08	1.86E+08	2.38E+08
4-Aminobenzoate	674691.10	838660.20	945837.70	787252.00	559068.60	1241530.00	914075.20	809696.30	1502368.00	3568100.00	2647356.00	2387249.00	3320399.00	961812.30	3990148.00	700493.20	1075102.00	1044290.00	942557.80	638216.10	1048773.00	1170686.00	1047472.00	822147.30	569360.50	1456111.00	812654.30	1215511.00	615606.90	667672.90	1191049.00	1061634.00	874601.20	591639.10	630809.30	446279.40	979134.80	1096356.00	486261.50	932254.00	369821.60	954672.20	1107614.00	345404.00	1084506.00	514707.20	775767.90	903020.50	814078.30	413031.80	922145.20	295664.10	283742.80	761222.50	1040395.00	8.10E+05	1.12E+06	7.96E+05	1.19E+06	7.04E+05	1.36E+06	7.50E+05	7.45E+05	6.84E+05	5.95E+05
Peptide tryptophan	3167732.00	8142792.00	8527564.00	6183634.00	3597407.00	8831517.00	6602908.00	3868049.00	7267456.00	7731518.00	9087967.00	6177050.00	6647804.00	4795679.00	13525370.00	8466397.00	14157610.00	20918810.00	13697640.00	14404360.00	8228182.00	15375980.00	12969810.00	12231640.00	7431492.00	19949300.00	9344805.00	13046180.00	9187825.00	14851560.00	13055080.00	11511170.00	10541800.00	7360030.00	5466604.00	4763386.00	8078612.00	8641369.00	4491382.00	7225472.00	2234709.00	7782828.00	12399820.00	2396236.00	5643236.00	3784523.00	9997708.00	8738985.00	5622200.00	3788573.00	6969912.00	2325599.00	4687774.00	8788999.00	6733126.00	4.82E+06	3.84E+06	2.90E+06	5.40E+06	2.48E+06	9.38E+06	3.67E+06	2.78E+06	3.67E+06	2.36E+06
Methylenediurea	1154386.00	1907385.00	3011546.00	1832312.00	1219113.00	2721280.00	2095608.00	1602943.00	2870912.00	2261525.00	1837070.00	2367672.00	1849963.00	1177063.00	3206733.00	2595453.00	3002392.00	4393044.00	4122997.00	2480014.00	2776058.00	4033380.00	2412089.00	2876435.00	2947275.00	3384327.00	1828035.00	2861922.00	2231142.00	1921273.00	2896946.00	2943937.00	2257494.00	1678813.00	1066791.00	2343260.00	3549388.00	3932524.00	2641939.00	2415291.00	1003929.00	3892661.00	3643201.00	1098056.00	3288318.00	2204649.00	4493994.00	4714514.00	3072711.00	1635628.00	3984053.00	1543964.00	3509842.00	3298091.00	3114147.00	2.06E+06	1.49E+06	2.01E+06	2.48E+06	1.11E+06	3.71E+06	1.66E+06	1.38E+06	1.66E+06	2.10E+06
3-Oxalomalate	771303.00	1084774.00	1138214.00	1085827.00	1223268.00	1435184.00	1020763.00	821249.20	1216079.00	1054599.00	880025.70	836772.10	888792.70	871030.90	965869.90	1558602.00	2441368.00	2773737.00	2393059.00	2330249.00	1572115.00	2048317.00	1926968.00	1833424.00	1455958.00	2311028.00	1833466.00	2183346.00	1624211.00	2292718.00	2021533.00	2074470.00	1587630.00	1413173.00	1255845.00	1239309.00	1885065.00	1693497.00	1524039.00	1723236.00	612880.20	1777312.00	1576087.00	436301.20	1594672.00	1097444.00	1817260.00	1805869.00	1739745.00	777849.80	1275496.00	964452.80	1492166.00	1711817.00	1423914.00	1.08E+06	1.33E+06	9.01E+05	1.72E+06	7.72E+05	1.41E+06	9.77E+05	8.99E+05	7.29E+05	6.87E+05
2-Deoxy-alpha-D-glucoside	864979.70	986038.60	1203761.00	972982.80	882048.20	1005918.00	805022.20	777681.70	1034354.00	987159.50	894111.50	856938.50	856075.00	727405.30	1062047.00	894716.70	988613.00	1125535.00	1027781.00	1072756.00	890656.50	956123.20	887997.90	865508.40	643312.20	1369201.00	776801.80	955014.10	781613.50	897041.00	982995.80	849244.80	862599.50	807378.30	769055.40	800332.40	1003854.00	954302.30	854431.10	941963.00	793752.50	914020.80	957892.50	604596.80	558250.00	831038.00	1034224.00	1130166.00	996725.00	794939.50	1029217.00	704658.90	1173772.00	990667.20	1030012.00	8.63E+05	8.77E+05	1.04E+06	8.89E+05	8.98E+05	8.92E+05	8.19E+05	8.31E+05	8.72E+05	7.31E+05
cis-p-Coumarate	478239.30	884573.20	1052159.00	539895.10	628688.30	1020721.00	697071.30	375566.40	907190.00	569439.30	637170.50	621510.60	507710.00	565299.20	904174.10	573418.70	854346.80	1396425.00	1075986.00	1147011.00	407491.30	964915.30	720196.70	408380.20	336671.60	827033.50	486637.40	627456.50	512952.50	531057.20	412733.20	532060.40	325856.70	392820.00	380798.30	591702.10	1340993.00	1438532.00	506342.90	817523.30	353278.40	1071521.00	1037485.00	330606.60	826410.70	273269.30	595168.70	858432.30	490888.00	305089.50	582298.00	218212.50	417594.20	657034.20	474871.20	5.18E+05	6.38E+05	5.43E+05	7.66E+05	3.86E+05	1.15E+06	4.74E+05	5.76E+05	3.70E+05	5.69E+05
N6-Methyl-L-lysine	111262.50	135983.70	204556.50	145408.60	124639.20	180185.60	136421.30	117435.50	182267.00	363452.70	219359.50	267768.40	360733.20	189944.40	369509.30	156112.50	209552.00	257672.40	227173.20	189648.00	191326.20	169200.30	177880.20	171705.20	155767.60	224579.00	183428.90	202687.60	128674.80	207350.80	93525.02	213074.20	173319.40	138543.90	147161.70	128458.50	172039.60	191818.30	161902.20	163905.20	89904.59	168974.10	212241.40	87818.23	173268.10	180435.80	351565.70	431670.30	352692.20	150292.50	338915.60	201557.90	400828.20	280443.60	487016.80	1.34E+05	1.52E+05	1.60E+05	1.98E+05	1.26E+05	2.10E+05	1.57E+05	1.58E+05	1.24E+05	1.18E+05
Tripeptide	991958.60	551228.90	411573.80	649601.30	810606.20	254878.90	455715.50	741278.80	530643.20	662331.40	920044.80	784132.70	707871.50	1125383.00	486445.80	433180.00	624680.90	81776.47	78235.93	464456.80	618446.10	309018.10	455968.40	463712.30	1102498.00	472165.00	404762.50	455336.20	563692.80	457016.10	564739.90	457682.50	540533.60	926536.70	998863.40	412780.20	249990.60	275936.80	559114.80	848083.90	857493.00	370012.20	188362.50	873824.30	1127982.00	607642.90	291961.90	330853.30	397872.80	799151.90	486359.20	728181.10	451771.80	266625.10	506821.80	6.44E+05	5.85E+05	5.36E+05	6.60E+05	7.35E+05	2.30E+05	4.64E+05	1.20E+06	7.52E+05	8.79E+05
Succinyl sulfathiazole	64348.50	92802.76	125983.60	63477.86	71730.05	127899.50	83758.74	52821.96	135376.00	61536.50	58698.98	88790.66	73582.12	60375.50	102960.00	92829.52	136856.70	85782.87	159725.00	117321.30	19517.53	126913.30	83791.55	75101.55	9159.53	114895.60	75905.15	112110.20	78463.78	107125.40	24757.48	82330.53	44464.22	40989.40	48852.55	66895.54	123438.40	129918.50	41002.54	20500.06	15869.67	131933.20	116086.00	46573.59	46616.19	47796.66	99277.47	156673.20	87670.26	28267.11	123391.90	24891.94	53949.94	98431.65	93802.55	1.05E+05	6.37E+04	6.27E+04	1.04E+05	3.95E+04	1.36E+05	2.37E+04	8.32E+04	4.37E+04	4.84E+04
Pyridoxamine	192562.30	273631.10	220430.20	238628.90	199152.90	262394.70	254707.70	211839.40	266339.00	220114.20	237838.80	190402.50	164496.60	194037.80	271090.00	331301.00	415342.20	402745.80	403931.80	412874.00	310478.10	368558.20	311222.30	309265.40	320527.20	344343.50	376638.00	402219.90	349169.90	411773.00	270044.20	361231.40	314281.30	274403.30	298132.20	277822.30	359709.40	321812.70	301670.50	301482.90	257449.60	326797.70	360795.30	210505.90	370686.20	237654.90	222624.20	357555.50	224389.40	245389.00	213958.50	215349.40	194220.90	239127.50	330669.10	2.75E+05	3.61E+05	2.98E+05	3.40E+05	2.57E+05	2.62E+05	2.27E+05	2.86E+05	2.63E+05	2.32E+05
N-Amidino-L-aspartate	22185.55	31199.23	37939.71	66967.38	3757.25	0.00	17060.29	30317.19	81871.54	155543.20	105447.20	111258.80	155070.70	39447.21	155949.70	39321.27	64118.83	48079.96	59023.56	19408.46	34977.93	172688.10	104554.90	74248.24	37086.46	81782.47	62121.32	74854.45	63058.01	128670.40	100646.40	86788.26	68470.38	50358.18	37355.47	34445.86	43507.73	50475.87	33365.45	52621.33	22976.16	28135.50	47668.23	9294.45	52437.80	132010.70	255422.00	336504.80	232150.60	117605.90	241792.80	88406.38	251862.10	233389.10	207899.50	2.51E+04	6.44E+04	1.65E+04	6.03E+04	2.99E+04	7.85E+04	1.52E+04	1.24E+04	4.26E+04	1.38E+04
trans-Homoaconitate	64511.47	151089.40	259616.50	117016.90	96821.96	356148.60	236884.90	111118.40	211342.70	112924.70	157521.20	118729.10	100511.90	55274.67	180256.00	177087.20	276805.80	603726.20	368732.00	277073.80	178193.50	306520.30	293335.90	287402.00	110276.90	229547.90	224371.20	303899.00	99725.88	401091.20	236226.50	325187.20	113270.70	85939.55	91885.91	203753.80	402610.40	368536.30	178479.20	278893.90	62937.92	234468.30	460869.70	79565.03	185426.80	88917.40	248591.80	441337.90	301979.20	91141.62	89477.76	76566.91	137016.10	183894.80	186083.60	1.87E+05	2.74E+05	7.55E+04	3.01E+05	1.19E+05	4.23E+05	9.82E+04	6.67E+04	1.76E+05	9.08E+04
N-Carbamyl-L-glutamate	121216.00	96259.23	207393.70	170608.00	123708.10	224004.10	148980.10	123901.00	223225.50	187291.00	152128.00	114612.40	165679.60	77583.86	131568.50	148120.50	171920.20	225895.00	107331.80	133579.10	190827.20	231597.90	172261.00	194107.60	152947.10	204697.30	116075.10	161855.00	143822.00	157415.10	118603.40	103031.50	102029.70	118016.60	123841.90	135768.70	202798.20	200586.20	164787.30	160160.60	107043.10	207340.80	208534.50	65637.80	136100.20	99141.27	244498.30	341067.50	203309.10	134345.10	148103.00	119106.60	242964.30	222698.40	237604.10	1.12E+05	7.86E+04	9.35E+04	1.42E+05	1.07E+05	2.11E+05	1.17E+05	1.28E+05	7.75E+04	1.12E+05
2-Oxo-7-methylthioheptanoic acid	256227.90	279533.20	296772.20	301758.10	285126.50	276202.70	315874.60	223922.00	241264.70	276191.20	292358.60	296717.10	261074.40	277932.80	237427.20	372306.80	455528.20	387818.30	317348.40	392730.20	382835.50	398703.10	360084.40	369891.20	466319.70	284909.00	456791.80	377345.90	403201.20	433503.10	328773.70	444117.90	430072.70	421169.30	458986.70	422901.80	363363.80	382036.10	437751.40	372674.80	318189.70	357815.00	389994.70	339966.00	512107.20	311991.50	249767.80	307497.30	332802.40	338718.50	269737.50	272146.70	230644.20	263873.60	338761.80	3.55E+05	3.81E+05	3.88E+05	4.25E+05	3.24E+05	2.99E+05	3.20E+05	3.59E+05	3.10E+05	3.26E+05
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	parent	medRt
alanine	C00041	90.05546	1.21
arginine	C00062	175.1187	1.19
asparagine	C00152	133.0606	1.23
aspartate	C00049	134.0447	1.21
cysteine	C00097	122.0271	1.23
glutamate	C00025	148.0601	1.21
glutamine	C00064	147.0761	1.22
glycine	C00037	76.04002	1.21
histidine	C00135	156.0765	1.19
leucine/isoleucine	C00123	132.1017	1.25
lysine	C00047	147.1125	1.11
methionine	C00073	150.0581	1.25
phenylalanine	C00079	166.0859	1.31
proline	C00148	116.0707	1.24
serine	C00065	106.0502	1.21
threonine	C00188	120.0656	1.21
tryptophan	C00078	205.0967	1.34
tyrosine	C00082	182.0809	1.25
valine	C00183	118.0863	1.22
Hypoxanthine	C00262	137.0455	1.25
Xanthine	C00385	153.0404	1.26
Guanine	C00242	152.0566	1.25
Allantoate	C00499	177.0607	1.14
5-Hydroxyisourate	C11821	185.0321	1.20
Cytidine	C00475	244.0923	1.25
5-6-Dihydrothymine	C00906	129.0658	1.23
4-Pyridoxate	C00847	184.0577	1.24
Nicotinamide	C00153	123.0553	1.25
Adenine	C00147	136.0615	1.25
Adenosine	C00212	268.1034	1.25
Guanosine	C00387	284.0981	1.25
Inosine	C00294	269.0875	1.25
Uracil	C00106	113.0347	1.26
Purine	C15587	121.0526	1.33
2-3-Bisphosphoglycerate	C03339	266.9693	1.19
Glutathione	C00051	308.0899	1.25
Glutathione disulfide	C00127	613.1577	1.25
5-Oxoproline	C01879	130.0498	1.23
gamma-L-Glutamyl-D-alanine	C03738	219.0972	1.25
(5-L-Glutamyl)-L-glutamine	C05283	276.1183	1.25
N-N-Dimethylglycine	C01026	104.0709	1.24
D-O-Phosphoserine	C02532	186.016	1.21
S-Adenosyl-L-homocysteine	C00021	385.1275	1.25
S-Adenosyl-L-methionine	C00019	399.1434	1.21
L-Citrulline	C00327	176.1025	1.21
Putrescine	C00134	89.10788	1.14
Spermidine	C00315	146.165	1.13
Spermine	C00750	203.2226	1.16
Homocarnosine	C00884	241.1289	1.15
Phosphocreatine	C02305	212.0426	1.32
Creatine	C00300	132.0765	1.23
Creatinine	C00791	114.0664	1.23
Guanidinoacetate	C00581	118.0613	1.22
trans-4-Hydroxy-L-proline	C01157	132.0654	1.22
Pantothenol	C00864	220.1173	1.35
Taurine	C00245	126.0218	1.29
Hypotaurine	C00519	110.0273	1.23
Cys-Gly	C01419	179.048	1.25
Indole-3-acetaldehyde	C00637	160.0753	1.25
6-Hydroxykynurenic acid	C08480	206.0477	1.26
L-Adrenaline	C00788	184.0942	1.22
L-Carnitine	C00318	162.1122	1.22
O-Propanoylcarnitine	C03017	218.1383	1.25
O-Butanoylcarnitine	C02862	232.1539	1.25
L-Octanoylcarnitine	C02838	288.2164	1.29
Acetyl phosphate	C00227	140.9946	1.33
Triacanthine	C08435	204.1226	1.25
4-Aminobenzoate	C00568	138.0546	1.24
Peptide tryptophan	C02732	230.0954	1.25
Methylenediurea	C06381	133.0736	1.23
3-Oxalomalate	C01990	207.0137	1.19
2-Deoxy-alpha-D-glucoside	C03573	164.0673	1.15
cis-p-Coumarate	C06738	165.0544	1.25
N6-Methyl-L-lysine	C02728	161.128	1.16
Tripeptide	C00316	187.0574	1.25
Succinyl sulfathiazole	C11745	356.0399	1.31
Pyridoxamine	C00534	169.095	1.12
N-Amidino-L-aspartate	C03139	176.0664	1.23
trans-Homoaconitate	C16579	189.039	1.31
N-Carbamyl-L-glutamate	C05829	191.066	1.22
2-Oxo-7-methylthioheptanoic acid	C17220	191.076	1.14
METABOLITES_END
#END