#METABOLOMICS WORKBENCH wongpuiyan28_20231129_000820 DATATRACK_ID:4481 STUDY_ID:ST002998 ANALYSIS_ID:AN004925 PROJECT_ID:PR001868
VERSION             	1
CREATED_ON             	December 6, 2023, 1:44 am
#PROJECT
PR:PROJECT_TITLE                 	The role of gut microbiota in muscle mitochondria function, colon health, and
PR:PROJECT_TITLE                 	sarcopenia: from clinical to bench
PR:PROJECT_SUMMARY               	Sarcopenia is an age-related muscle disorder that increases the risk of adverse
PR:PROJECT_SUMMARY               	clinical outcomes, but its pathogenesis is unclear and treatments are limited.
PR:PROJECT_SUMMARY               	Increasing evidence shows that gut microbiota is potentially associated with
PR:PROJECT_SUMMARY               	sarcopenia. To investigate its role in sarcopenia, we (i) compared gut
PR:PROJECT_SUMMARY               	microbiota and metabolite composition between older persons with and without
PR:PROJECT_SUMMARY               	sarcopenia, (ii) performed fecal microbiota transplantation (FMT) from human
PR:PROJECT_SUMMARY               	donors to antibiotic-treated mice, and (iii) identified two specific probiotics
PR:PROJECT_SUMMARY               	for treatment of sarcopenia in aged mice. Metagenomic and metabolomic analyses
PR:PROJECT_SUMMARY               	showed that people with sarcopenia had different microbial composition and
PR:PROJECT_SUMMARY               	metabolites, and that fecal purine could accurately identify sarcopenia. After
PR:PROJECT_SUMMARY               	FMT, mice receiving microbes from people with sarcopenia displayed lower muscle
PR:PROJECT_SUMMARY               	mass and strength. Correlation analysis revealed Lacticaseibacillus rhamnosus
PR:PROJECT_SUMMARY               	(LR) and Faecalibacterium prausnitzii (FP) were positively related to muscle
PR:PROJECT_SUMMARY               	health in old people. Both probiotic LR, FP and their combination enhanced
PR:PROJECT_SUMMARY               	muscle mass, function, and fiber type proportion of aged mice. Transcriptomics
PR:PROJECT_SUMMARY               	showed that genes related to tricarboxylic acid cycle were enriched after
PR:PROJECT_SUMMARY               	treatment. Mitochondria density, muscle ATP content, NAD+/NADH, proteins related
PR:PROJECT_SUMMARY               	to mitochondrial dynamics and biogenesis were improved by both probiotics. In
PR:PROJECT_SUMMARY               	in-vitro studies, probiotic-conditional medium (PCM) containing FP supernatant
PR:PROJECT_SUMMARY               	or the combination of FP and LR supernatants enhanced proliferation of C2C12
PR:PROJECT_SUMMARY               	myoblasts, whilst LR PCM alone did not. The mechanisms of LR may be related to
PR:PROJECT_SUMMARY               	colon health improvement. Results showed gut microbiota dysbiosis is one of
PR:PROJECT_SUMMARY               	pathogenic factors of sarcopenia, and muscle-related probiotics could alleviate
PR:PROJECT_SUMMARY               	age-related muscle disorders. Further clinical translation is warranted.
PR:INSTITUTE                     	The Chinese University of Hong Kong
PR:DEPARTMENT                    	ORT
PR:LABORATORY                    	The Prince of Wales Hospital
PR:LAST_NAME                     	Wong
PR:FIRST_NAME                    	Pui Yan
PR:ADDRESS                       	30-32 Ngan Shing Street , Shatin, New Territories
PR:EMAIL                         	puiyanwong@cuhk.edu.hk
PR:PHONE                         	(852)-35052756
#STUDY
ST:STUDY_TITLE                   	The role of gut microbiota in muscle mitochondria function, colon health, and
ST:STUDY_TITLE                   	sarcopenia: from clinical to bench
ST:STUDY_SUMMARY                 	To further investigate if metabolites produced by probiotics could directly
ST:STUDY_SUMMARY                 	improve muscle growth, an in-vitro study was performed by utilizing C2C12
ST:STUDY_SUMMARY                 	myoblasts and myotubes, as well as probiotic supernatant. The supernatant of
ST:STUDY_SUMMARY                 	probiotics was collected and LC-MS analysis was performed.
ST:INSTITUTE                     	The Chinese University of Hong Kong
ST:LAST_NAME                     	Wong
ST:FIRST_NAME                    	Pui Yan
ST:ADDRESS                       	30-32 Ngan Shing Street , Shatin, New Territories
ST:EMAIL                         	puiyanwong@cuhk.edu.hk
ST:PHONE                         	(852)-35052756
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Lacticaseibacillus rhamnosus and Faecalibacterium prausnitzii
#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           	LGG1	LGG1	Treatment:LGG	RAW_FILE_NAME=LGG1.mzXML
SUBJECT_SAMPLE_FACTORS           	LGG2	LGG2	Treatment:LGG	RAW_FILE_NAME=LGG2.mzXML
SUBJECT_SAMPLE_FACTORS           	LGG3	LGG3	Treatment:LGG	RAW_FILE_NAME=LGG3.mzXML
SUBJECT_SAMPLE_FACTORS           	LGG_medium_1	LGG_medium_1	Treatment:LGG_medium	RAW_FILE_NAME=LGG_medium_1.mzXML
SUBJECT_SAMPLE_FACTORS           	LGG_medium_2	LGG_medium_2	Treatment:LGG_medium	RAW_FILE_NAME=LGG_medium_2.mzXML
SUBJECT_SAMPLE_FACTORS           	LGG_medium_3	LGG_medium_3	Treatment:LGG_medium	RAW_FILE_NAME=LGG_medium_3.mzXML
SUBJECT_SAMPLE_FACTORS           	FP1	FP1	Treatment:FP	RAW_FILE_NAME=FP1.mzXML
SUBJECT_SAMPLE_FACTORS           	FP2	FP2	Treatment:FP	RAW_FILE_NAME=FP2.mzXML
SUBJECT_SAMPLE_FACTORS           	FP3	FP3	Treatment:FP	RAW_FILE_NAME=FP3.mzXML
SUBJECT_SAMPLE_FACTORS           	FP_medium_1	FP_medium_1	Treatment:FP_medium	RAW_FILE_NAME=FP_medium_1.mzXML
SUBJECT_SAMPLE_FACTORS           	FP_medium_2	FP_medium_2	Treatment:FP_medium	RAW_FILE_NAME=FP_medium_2.mzXML
SUBJECT_SAMPLE_FACTORS           	FP_medium_3	FP_medium_3	Treatment:FP_medium	RAW_FILE_NAME=FP_medium_3.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	The Lacticaseibacillus rhamnosus ATCC 53103 was cultured on MRS Agar (Sigma,
CO:COLLECTION_SUMMARY            	USA), and a single colony of LR was cultured in DeMan-Rogosa-Sharpe (MRS, Sigma)
CO:COLLECTION_SUMMARY            	broth to obtain 108 colony forming unit (CFU)/mL in the anaerobic chamber
CO:COLLECTION_SUMMARY            	(Bugbox Plus UM-017, Baker). After centrifugating at 1600g for 10 min at 4 ℃
CO:COLLECTION_SUMMARY            	and discarding supernatant, the pellet was resuspended in sterile water,
CO:COLLECTION_SUMMARY            	centrifuged again, and the supernatant was discarded. The pellet was resuspended
CO:COLLECTION_SUMMARY            	in 1 mL to obtain 1010 CFU/mL. The CFU was enumerated by culturing 10 μL of the
CO:COLLECTION_SUMMARY            	aliquot by serial dilution method in Blood agar. The Faecalibacterium
CO:COLLECTION_SUMMARY            	prausnitzii ATCC27768 was cultured on freshly prepared pre-reduced YBHA media.
CO:COLLECTION_SUMMARY            	After 48h incubation at 37 ℃ in the anaerobic chamber, a single colony from
CO:COLLECTION_SUMMARY            	the YBHA plate was cultured in the YBHI media to obtain 108/mL. The dilution and
CO:COLLECTION_SUMMARY            	enumeration procedures were as above.
CO:SAMPLE_TYPE                   	Bacterial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	The medium and supernatant of probiotics (LR and FP) were obtained from three
TR:TREATMENT_SUMMARY             	separate preparations (n = 3 per group). 100 μL of sample was transferred to an
TR:TREATMENT_SUMMARY             	EP tube. After the addition of 400 μL of extract solution (methanol:
TR:TREATMENT_SUMMARY             	acetonitrile= 1: 1, containing isotopically-labelled internal standard mixture),
TR:TREATMENT_SUMMARY             	the samples were vortexed for 30 s, sonicated for 10 min in ice-water bath, and
TR:TREATMENT_SUMMARY             	incubated for 1 h at -40 ℃ to precipitate proteins. Then the sample was
TR:TREATMENT_SUMMARY             	centrifuged at 12000 rpm(RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The
TR:TREATMENT_SUMMARY             	resulting supernatant was transferred to a fresh glass vial for analysis. The
TR:TREATMENT_SUMMARY             	quality control (QC) sample was prepared by mixing an equal aliquot of the
TR:TREATMENT_SUMMARY             	supernatants from all of the samples.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The medium and supernatant of probiotics (LR and FP) were obtained from three
SP:SAMPLEPREP_SUMMARY            	separate preparations (n = 3 per group). 100 μL of sample was transferred to an
SP:SAMPLEPREP_SUMMARY            	EP tube. After the addition of 400 μL of extract solution (methanol:
SP:SAMPLEPREP_SUMMARY            	acetonitrile= 1: 1, containing isotopically-labelled internal standard mixture),
SP:SAMPLEPREP_SUMMARY            	the samples were vortexed for 30 s, sonicated for 10 min in ice-water bath, and
SP:SAMPLEPREP_SUMMARY            	incubated for 1 h at -40 ℃ to precipitate proteins. Then the sample was
SP:SAMPLEPREP_SUMMARY            	centrifuged at 12000 rpm(RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The
SP:SAMPLEPREP_SUMMARY            	resulting supernatant was transferred to a fresh glass vial for analysis. The
SP:SAMPLEPREP_SUMMARY            	quality control (QC) sample was prepared by mixing an equal aliquot of the
SP:SAMPLEPREP_SUMMARY            	supernatants from all of the samples.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	LC-MS
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	25 mmol/L ammonium acetate and 25 mmol/L ammonia hydroxide in water（pH = 9.75)
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0-0.5 min, 95% B; 0.5-7 min, 95%-65% B; 7-8 min, 65%-40% B; 8-9 min, 40% B;
CH:FLOW_GRADIENT                 	9-9.1 min, 40%-95% B; 9.1-12 min, 95% B
CH:FLOW_RATE                     	sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb
CH:COLUMN_TEMPERATURE            	4 ℃
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	1290 Infinity LC UPLC
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	LC-MS/MS analyses were performed using an UHPLC system (Vanquish, Thermo Fisher
MS:MS_COMMENTS                   	Scientific) with a UPLC BEH Amide column (2.1 mm × 100 mm, 1.7 μm) coupled to
MS:MS_COMMENTS                   	Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase
MS:MS_COMMENTS                   	consisted of 25 mmol/L ammonium acetate and 25 ammonia hydroxide in water pH =
MS:MS_COMMENTS                   	9.75））(A) and acetonitrile (B). The auto-sampler temperature was 4 ℃℃,
MS:MS_COMMENTS                   	and the injection volume was 2 μμL. The Orbitrap Exploris 120 mass
MS:MS_COMMENTS                   	spectrometer was used for its ability to acquire MS/MS spectra on
MS:MS_COMMENTS                   	information-dependent acquisition (IDA) mode in the control of the acquisition
MS:MS_COMMENTS                   	software (Xcalibur, Thermo). In this mode, the acquisition software continuously
MS:MS_COMMENTS                   	evaluates the full scan MS spectrum. The ESI source conditions were set as
MS:MS_COMMENTS                   	following: sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb,
MS:MS_COMMENTS                   	capillary temperature 320 ℃℃, full MS resolution as 60000, MS/MS resolution
MS:MS_COMMENTS                   	as 15000 collision energy as 10/30/60 in NCE mode, spray Voltage as 3.8 kV
MS:MS_COMMENTS                   	(positive) or -3.4 kV (negative), respectively.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/g
MS_METABOLITE_DATA_START
Samples	FP1	FP2	FP3	FP_medium_1	FP_medium_2	FP_medium_3	LGG1	LGG2	LGG3	LGG_medium_1	LGG_medium_2	LGG_medium_3
Factors	Treatment:FP	Treatment:FP	Treatment:FP	Treatment:FP_medium	Treatment:FP_medium	Treatment:FP_medium	Treatment:LGG	Treatment:LGG	Treatment:LGG	Treatment:LGG_medium	Treatment:LGG_medium	Treatment:LGG_medium
Acrylamide	1587395.255	0	1858547.633	2669814.306	1527429.229	2633129.684	84074562.85	100017027.4	102451980.7	56923661.19	59792427.64	58775020.42
Adenosine	7494102.218	4033801.252	90949063.6	4594930509	4814639542	4559395865	3347749333	3232574893	3499574171	4990590639	5758086763	5367293119
N6-Methyladenosine	822255.732	967194.7898	3822823.155	18905783.8	18918329.3	22776568.19	20744674.05	21402990.38	19970916.81	11019940.49	13528501.52	13866694.17
Phenylethylamine	70562863.03	63571377.32	69801405.82	63164931.56	62724707.5	55087101.78	4438646.517	6270246.026	4497389.949	7410471.611	10533495.69	8649051.498
D-Serine	34963588.73	34201143.4	32965808.22	85897269.82	79774042.98	87566721.59	65330115.93	68972455.54	68600004.77	57435420.15	59111140.96	56028743.6
Cytarabine	671809.9008	530961.327	1219629.278	11250395.16	12311376.8	10994351.72	29665309.84	29530991.75	28166197.95	32058432.77	34447110.65	32778882.11
L-Histidine	582610636.7	593185762.7	568873323.3	367848810.5	363269960.1	367798201.9	212006245.6	220927383.9	217231604.4	237510433.1	248324296.9	242824541.1
L-Proline	40487786.82	40001508.96	40730949.39	37072147.14	44838695.47	37490340	28758663.29	27192425.4	27950965.74	25445503.85	26015816.2	24660249.36
5'-Methylthioadenosine	1167186.302	1165744.1	2081614.796	570812544.2	535008184.8	540324457.4	0	0	0	28382799.69	24057241.12	24469627.95
4-Oxo-1-(3-pyridyl)-1-butanone	2822697.461	3569961.837	3119405.21	1433639.242	1233950.634	1037753.292	0	682402.726	441362.116	0	506061.5819	0
L-Norleucine	1305005411	1236139068	1813705171	1101832194	1121047143	1813891986	1115912016	787302191	1144789373	2014605426	1255445511	1091643423
L-Phenylalanine	8568249.167	8394533.772	8176309.329	13335745.71	10651851.25	8825209.53	5326616.794	2691017.122	3214829.149	2683154.888	2656454.587	1689862.712
Sarcosine	33554355.02	34307590.66	31230027.49	29944633.82	38932926.07	32737903.73	33665988.3	29346657.11	31417223.98	44978804.14	39121147.08	51899402.73
Phenylalanylphenylalanine	2973007.631	2797271.099	5606320.86	69204430.57	81137954.85	79909465.89	0	0	0	5489179.003	4759482.347	4202125.227
3'-AMP	24550458.95	25111527.57	23609773.71	20216600.31	20901445.33	20713805.04	14908106.07	15125086.9	14670861.54	22247781.16	21965472.7	22183918.36
Caryophyllene alpha-oxide	205476240.5	225385196	224427424	244530542	235805808.1	215601852.5	119655237.7	108791104.1	128112403.9	132892759.1	131852748.5	135440409.8
L-Pyroglutamic acid	105883782.2	105282612.8	99730917.25	80029959.27	80225755.03	83661270.59	71403504.99	70665994.16	72230894.69	64013629.56	70908694.02	66804972.55
Thiamine	10032347.31	9271576.73	9059254.773	7757828.058	4345989.393	5820857.985	15071229.25	13844352.31	12592493.88	27921925.99	27908793.3	28334884.3
L-Carnitine	182151878.3	159470462.7	176011117.7	183016828.6	150007731.1	162847775.5	245216371.5	243356214.4	197608009.9	172925465.9	185710417.5	192342213.6
DL-Phenylalanine	2284418096	2237653569	2351330629	2160496033	2296862741	1700189628	1187391779	1277180045	1309372512	1344470469	1376946437	1444268340
Cytidine 2'-phosphate	9335740.577	9663654.247	8903368.129	7611613.483	7885807.123	7811683.507	9013172.061	9680946.48	9203127.993	9757194.85	10206504.86	10079970
L-Alanine	3742829.485	3642618.019	2950152.287	4130098.916	4274148.16	4007494.412	16293538.84	12992735.61	3434627.325	666646.517	1532042.256	1173695.068
N-methylvaline	343112069	94843640.1	326076719	49171665.81	91239103.91	82774475.67	59680058	55755064.59	55357886.67	54650745.28	58896780.14	54789350.17
Nicotinamide	276321094.5	257561261.2	244225775.7	247316154	287847827.3	263188353	0	924384.1478	3474002.045	136183129.7	141871025.8	149577173.9
Norvaline	102789237.8	85837502.63	75377160.86	69617451.31	66584823.86	64964779.78	68648994.1	49416783.77	56564822.93	45489863.45	53444027.5	50346085.25
Betaine	672899296.9	684066855.4	693777307.9	609965321	541676066.5	574853581.2	447190220.1	374428144.3	444206396	307823143.1	374420756.1	440867460.3
2,6-diaminohexanoic acid	1341585447	1343972068	1319634985	1213570059	1150248459	1218716558	368975476.4	354577555.5	352524285.3	420102666.8	419505243.9	416887681.2
Alanyl-Leucine	285652964.5	276655734.5	267430921.4	340543948.7	350435524.1	356993755.4	2866044.658	3246277.108	3984317.692	67370950.86	70623995.17	66225166.94
FAPy-adenine	29461005.24	29775792.19	29874729.89	23312480.61	24667905.55	23822071.19	37023587.78	36036813.6	37334779.61	29401000.34	32466367.31	30567302.82
Methionine sulfoxide	99721794.37	98614992.13	97699732.38	101561851.1	98258308.73	102515283.4	279906569.7	274495525.5	270945497.3	304572957.9	315848861.6	311664270
Guanosine monophosphate	9132134.925	9053236.657	8463490.459	6985964.911	7238232.537	7711205.989	9675023.584	9914204.729	9909216.534	15183707.05	15393412.29	14768558.97
Guanosine	7845137.755	6783212.511	5761359.635	5932215.156	6335461.003	6857306.096	2194711.177	4750767.662	6235504.091	5117637.2	5409005.412	481470.3957
2-(1,2-Diamino-1-propenyl)phenol	12197183.77	10506702.86	11334981.21	16845784.02	19977084.76	18021158.97	8826734.737	9211237.706	8282909.973	8860277.528	9756603.239	10408083.32
Pyrrolidine	289569419	298102305.7	303359567.2	260485732.9	229897935.1	246896111.2	189311732.4	157422103.4	186967493.8	131400080.1	160606142.6	192427832.6
Pyridoxine	3590918357	3437119588	3517706788	3196134570	3351228178	3223649347	62423918.63	63232576.74	57662461.94	83292507.93	78653097.11	79340064.19
L-Tyrosine	168045839.6	201266473.5	177501462.7	170712558.8	141847305.2	168810335.7	128386329.5	79208617.31	132747766.9	177690588.7	253017286.8	311060991.2
Phosphorylcholine	56936834.52	57001021.81	55483265.64	51590652.78	51345475.07	52112725.85	30777402.05	29145312.93	28957742.23	28778505.67	29497904.76	29959571.24
Sucrose	1842809.431	1463460.434	1642253.222	5538869.206	4422146.826	5778645.672	14076248.46	14858975.86	13727983.33	12749079.57	13286533.93	13199192.67
Hydroxyprolyl-Threonine	30356612.33	31751191.11	31437259.54	32887357.42	33200553.51	33301531.17	2331868.777	2160235.756	2028189.089	16506867.37	17804155.18	19699018.04
Glutaminyl-Gamma-glutamate	6239875.932	5620409.462	5145485.984	5032379.06	4578677.659	4581139.587	520988.6661	254232.7285	549719.8759	427234.0064	592812.4415	703952.1775
Pipecolic acid	3006619.865	1614889.063	1902696.458	2302694.28	2997338.504	1248137.717	1772061.286	2578911.852	1013781.085	1478257.67	1284507.403	2802566.698
Methylguanidine	21137487.79	18474907.6	21892814.25	18859596.05	19225401.35	14994468.87	10639130.65	11331655.96	10926295.18	11997848.59	14819960.96	15445337.36
3'-O-Methyl-D-adenosine	20409395.54	20644492.77	17210815.86	13870154.98	614143.9635	14460141.21	777249.1836	1718796.241	780976.5768	1912822.403	3976238.789	3810477.651
Glycylleucine	416493104.9	398466116.5	401569353.6	431063040.9	450850155.6	417351299.3	49094039.59	51511788.16	1331971.574	84310761.02	77702057.12	128641489.5
Spinacine	15578026.68	15271600.19	15768462.21	15300029.63	15388235.08	14763258.78	14487499.15	14746727.42	13993844.57	13914127.55	14451652.96	14340014.57
Glycyl-L-Leucine	168856221	178086921	186755521.5	171807280.6	181442318.7	168251065.8	7082167.462	555563.4257	13256606.14	161665569.8	176992167	200955271.3
8-Hydroxy-2'-deoxyguanosine	4484335.678	3213992.986	8317388.624	50374490.66	57052663.29	60623490.76	57842332.57	63419129.26	61399251.4	106777916.9	104094270.9	97171904.74
(±)-2-(2-Furanyl)pyrrolidine	143720023.7	143597883.8	137617402.6	111425615.8	105157902.1	116655531.4	1445726.061	1595452.695	1273049.854	780318.7401	1407232.26	1270277.933
Benzaldehyde	2650388.858	2724565.993	3016556.124	2198143.084	2421944.753	1384786.376	1161184.446	1561251.162	1102256.076	1592168.036	1510159.766	1353788.317
Diethanolamine	27851513.08	28860004.87	28352875.2	26815909.24	25963615.93	28155839.6	29201739.28	27174189.16	25737698.93	28926441.55	27800342.08	27986581.38
N'-nitrosonornicotine	4506592.396	4559416.879	5549643.823	4434531.24	4726493.763	3806924.998	2823207.551	2955036.797	3710542.815	2434044.321	4625635.898	3756613.298
4-Guanidinobutanoic acid	19679872.25	18377727.91	20604641.95	19028011.18	19032010.74	18895663.83	113395265	111099064.8	104964873.5	94355825.38	97538278.91	97313579.51
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one	0	0	0	4190887.572	3808212.147	1987586.766	16200292.63	17717834.34	16927235.99	0	0	296820.9741
Morpholine	11728892.9	13360403.81	12247192.29	208259.9962	107450.1068	0	241178.4271	0	0	898118.26	2016270.67	1047108.922
Glycyl-Valine	41076760.49	42936413.85	44440553.61	34157430.66	43420888.88	36876290.51	79713927.33	60331700.06	63417374.12	44952869.38	51462734.28	56639853.6
L-Tryptophan	549956718.4	564871156.5	569607177.2	487047729.2	509643085.6	527258260.5	202774277.6	211387946.9	211606316.8	234585400.7	229874384.7	222201357.6
N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine	19916392.17	22111925.45	17867173.83	7920455.097	8891605.087	8461929.614	51144941.49	45709625.88	49966024.54	50487750.36	51874528.61	45984393.39
3-Amino-2-piperidone	854141646	843275668.1	858768921.9	825843063.9	815822000.9	786146477.8	222877820.2	235207402.2	206493920	223853599.3	230441980	223312566.4
Meta-Tyrosine	9851734.427	8470347.156	9672163.19	10998403.29	8026488.729	8354369.179	9249000.361	8800916.512	8696544.737	18697997.39	18721555.18	21017000.35
Glycerophosphocholine	1428192950	1412040582	1400656885	1380225815	1378077313	1384032973	1335059823	1342891835	1362235649	1354677766	1299874751	1312493081
Citrulline	36089483.81	33307961.1	35262464.52	24895992.92	25230833.38	24886784	9798651.558	9889018.222	10166044.12	9539518.87	8783543.497	8475003.336
N6-Isopentenyladenosine	592567.0905	510469.2093	1190011.221	8099689.089	9512256.684	7292779.472	2922446.941	2288453.715	2998708.746	1611812.889	1602445.019	1577619.415
L-Glutamine	20527936.16	18625922.57	18207580.08	2298378.506	2120710.451	2430802.101	866280.0076	869187.9812	1320632.506	1327362.404	1016737.71	1295244.228
Histamine	3207814.371	3415606.518	3303884.263	3015381.797	2287518.693	2719588.583	6838504.27	7097802.453	7274123.952	7355991.014	7829317.894	8130488.466
Dethiobiotin	311148613.5	315712222.3	312499770.5	260138535.9	313185484	272087918.7	144446618.6	126615827.2	141424401.2	138047091.7	153523535.7	177706354.3
Aspartyl-Glutamate	10545270.24	10624965.97	10757602.57	23303169.24	23180764.88	24376997.86	2308025.9	2484512.008	2662159.563	5182440.909	4794329.53	4772738.428
Leucyl-phenylalanine	2090422.543	3806047.019	2857312.565	2308811.684	2502194.884	2401115.398	1897017.174	1527861.302	1089370.842	0	0	0
3-Acetamidobutanal	270931265.1	291431019.3	274355556.9	250938360.8	228432791.7	245423044.1	77446572.38	73613111.54	74446916.8	87836885.43	86365201.48	86086510.94
Prolyl-Threonine	53686394.49	41148014.56	27181360.31	31893533.82	29345361.46	36883207.34	36965305.6	30270188.74	38735169.05	30896986.91	36043776.88	35146345.82
Carbanilide	1762721.139	982827.2881	1966381.335	2426528.15	4599590.588	1926092.175	2574151.465	2878579.711	2274365.307	1438041.212	2970472.543	2030644.972
Acetaminophen	244789566.5	237852035.8	238666863.5	213756475.5	233933182	222388552.7	4107800.738	5099764.007	4593609.295	5488643.8	3061906.672	6024418.179
2-Azetidinecarboxylic acid	7227394.684	9353621.341	8544585.264	5829294.369	8109853.775	7573769.878	5035765.454	4532872.008	5057481.121	4718146.129	4898680.62	5048999.848
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide	100687294.7	97228705.61	94085875.09	60683433.44	63427356.06	59727385.3	1484257.934	940418.7378	7261424.227	143101361.5	147821671.2	175375269.9
Glycine	11630051.42	11093420.36	10464106.42	8060401.424	7397388.613	7347254.891	10638307.05	10720371.99	10908944.51	6729195.283	6667156.32	6435193.61
Glycerol 3-phosphate	10890981.73	10928507.9	10464775.06	7352434.321	7484766.883	7409640.33	468704.9939	705664.57	540362.07	300799.8625	217334.057	288115.9089
Phenylalanyl-Methionine	850525.7346	463990.5049	1038991.783	14100291.63	13817969.37	12448813.96	662840.165	578666.3071	393561.2523	635407.4902	286151.1538	133176.1286
N,N-Dimethylguanosine	0	200129.5287	626565.2457	3232069.585	2903761.023	3104318.342	10622721.47	10562737.47	10873266.98	2068979.779	5120008.772	4597900.667
Butyrylcarnitine	7226275.597	9092864.283	7053234.044	10966053.62	11011361.35	12622123.67	11849977.83	12231415.53	11279613.15	15227033.09	15380400.65	13961416.15
4-Amino-2-methylenebutanoic acid	6511551.595	6913090.469	6073445.221	6670905.778	6821410.557	7041317.359	1539759.741	1209807.582	1226532.781	2027556.927	2673498.484	2090158.324
N-Methylsalsolinol	6496096.139	4811417.893	3105132.486	4735398.699	3564182.02	4777546.987	8695444.335	6944081.182	8619232.708	7114934.427	8962007.328	7892609.757
2,3,4,5-Tetrahydropiperidine-2-carboxylate	11764250.76	7173148.053	10825144.75	11366575.16	11538276.77	10856855.14	9248561.18	7855988.737	7450884.26	9426802.601	9540024.501	9329331.884
H-LEU-VAL-OH	42445179.41	43954024.03	55928135.9	89334681.4	82309802.9	10912698.58	5211803.244	7138478.651	8002936.729	15915959.31	15065898.75	13953036.9
18-carboxy dinor Leukotriene B4	481843.88	385429.8007	187114.5093	255744.5448	345028.7618	386050.8464	892036.259	372926.444	543779.7281	336337.4263	521925.5329	605373.6422
3-Dehydroxycarnitine	17832332.6	16347189.48	18755103.43	16863571.04	15805383.99	16400270.94	13446956.85	13133745.96	13457184.73	13282364.19	15369236.79	14127271.84
L,L-Cyclo(leucylprolyl)	27399119.62	114388.4353	26533347.84	24597228.24	24267847.35	18182567.17	88747.0278	2739848.859	3530566.837	2716877.833	3920047.411	2610038.329
Imidazoleacetic acid	664027.8644	118113.566	505212.3742	308737.7623	269091.0767	588522.0179	5144975.329	5863702.588	8241956.037	4117114.543	11566254.88	6831288.34
5-Hydroxylysine	271453.0507	275072.9258	301464.6248	88978.77327	93284.91456	89352.65832	5874228.108	5963182.215	5710931.768	5967873.07	4913846.105	5714448.651
Deoxyguanosine	2390187.756	2216090.879	5652862.106	223120714.8	235750310	229165099.4	25047820.14	30332016.42	28479055.61	41522941.46	39953631.11	43183948.67
Harmanine	7638944.686	8496400.264	7594439.858	10419398.84	12314490.07	10548668.84	4350814.735	5599552.816	4418594.393	2781160.945	4306369.737	4407998.189
D-Aspartic acid	88430105.94	92503911.06	90488084.94	57528683.14	58063764.12	62583638.85	65871423.18	64331018.3	67043688.96	56697684.98	57290463.64	58132653.96
Dimethylglycine	44561917.69	41055219.91	42131166.57	44084318.06	44379479.48	44885683.79	78347017.12	78545541.33	78706098.24	77435599.36	76557166.26	74862925.24
2-Methylfuran	41029951.67	47563205.97	39071522.14	21252162.49	23137550.22	16922495.38	91031130.64	80683575.91	91873233.4	80238432.05	109482733.8	90936062.1
Nicotinic acid	15829682.46	14991271.46	13176076.78	16172397.07	14881387.85	15827922.85	26679090.58	25422449.44	24650082.14	9338260.797	8186712.098	9871885.384
Pyrimidine	64763272.74	55935927.16	58896459.78	9341489.576	10291370.13	9390405.867	523948.9445	0	0	1939540.596	597845.9083	2650305.87
Prolyl-Aspartate	13971136.62	15908441.16	16214687.09	13261846.63	13026902.97	14867258.94	4919218.561	4662042.507	4063239.645	3805431.473	5363560.227	4857760.873
3-Indoleacrylic acid	885650424.2	877811543.7	858794002.9	737762387.5	857982451.3	836079752	322689063.8	350744165.2	332425288.6	346682495.3	347114935.1	344537993.4
Kojibiose	28316927.55	27294853.66	29694654.93	43544262.18	46855412.74	45968930.12	1004715.433	759758.5016	726002.5225	3091332.64	2901725.587	3438669.003
N-Acetylhistamine	11381594.17	10503904.74	9851747.431	2202613.813	2564270.684	2563176.364	7853944.614	9098846.782	9440487.843	753243.5247	445243.9507	418771.145
Saccharopine	39287518.03	41427124.85	39866977	34834945.18	37972819.05	34369302.93	17661220.66	17864941.92	17220828.74	17151832.01	17019060.38	16399737.71
2-Methylbutyroylcarnitine	6520756.777	6201933.086	6700602.943	6181359.286	5867509.283	5866155.3	2002263.437	1726707.398	1563779.299	1597221.107	2490956.764	2339967.271
Isopropyl formate	567095.6898	403866.064	341613.5116	466340.7392	318247.4034	883948.4435	11553897.14	8882681.343	9179502.653	6072299.118	6327248.53	9055964.086
Leucyl-Gamma-glutamate	21866412.98	21374311.24	20164789.96	26345116.3	27091615.51	24198505.78	2853257.599	2297129.903	3108039.627	5311007.649	5101539.666	5086133.07
Oxidized-adrenal-ferredoxin	77690184.17	75217121.77	73122687.43	75302497.52	64750100.01	78408603.78	53042396.36	48814220.44	53181747.55	61038693.45	61817051.88	60542036.63
Cytosine	22535579.13	22425642.83	23978804.03	20977611.55	19296658.8	18340216.02	41763779.31	42267989.58	42172918.99	40799831.21	43023642.04	43799915.45
5-Acetyl-2,4-dimethyloxazole	51245781.35	37990733.7	43094855.08	37986073.49	41304740.35	37813920.02	12003858.5	15411892.91	9262288.687	13543324.7	14398110.95	15273793.18
Prolyl-Tyrosine	59545092.65	54909204.94	64587046.25	56890112.76	59391532.48	50977215.35	17604215.13	17378259.58	20002089.84	45438513.5	38445366.86	41469762.69
Asymmetric dimethylarginine	27546568.33	27323599.42	27048220.5	27505577.17	27249197.27	27616131.39	12765832.14	13124545.2	12926738.75	10623434.93	11277515.97	11975401.48
1-(9Z-hexadecenoyl)-glycero-3-phosphate	38082969.62	36010679.85	37343098.21	38948979.59	29802364.15	34582103.86	224114.889	0	0	502199.7341	907303.7564	584609.3244
L-Cystine	0	0	86364.73568	184760604.7	181394380.2	175333160.2	0	50534.04635	0	65504.62084	0	0
Ornithine	17745357.84	16495096.93	16011393.84	16529383.48	16582090.41	17644999.97	12204621.39	11356577.05	11486556.03	11131011.69	10547063.17	10546926.47
Conhydrinone	3641477.371	3185322.195	3774514.945	1886909.697	1886654.071	1814432.586	4227934.691	3626061.802	4268376.536	2868753.998	3195768.357	3090292.618
Carnosine	6524528.002	6660765.392	6223799.001	7234467.51	6936931.799	7268336.915	3084095.528	2968460.752	3445507.584	3467086.323	3343105.672	3202625.352
Leucyl-Hydroxyproline	9729571.153	6653046.792	6098742.175	6351075.581	4869167.752	5468557.576	1623208.424	1442296.781	1197334.254	379807.2765	121273.3671	110979.4621
3-Methoxyanthranilate	12468009.74	11359015.1	11683471.72	10231386.7	12594607.1	10594633.4	454757.5814	527299.6926	595445.1988	1007454.721	1695619.872	592905.2878
L-Valine	34901224.23	27242207.05	26000382.49	27892271.99	23820669.03	20891832.17	19321361.76	20286612.79	20575638.02	17201561.88	19460269.49	17700234.66
(E)-1-Cinnamoylpyrrolidine	6713143.807	7387864.3	8023013.381	5800393.332	6374036.791	6010644.408	3983869.372	3666631.48	4473636.558	5335310.615	6091073.442	6160819.279
Glycylproline	3438673.321	2991017.972	2859579.47	3010573.75	3229630.523	2919651.651	707154.3738	684543.9825	943659.8249	858281.6234	1010678.685	832591.4577
Ethyl 2-aminobenzoate	5045739.848	6283193.716	3273827.034	8125779.475	9786797.938	7734519.87	12553404.7	15383170.75	12979933.76	3921399.461	4422371.024	4004515.186
1-Aminocyclopropanecarboxylic acid	31603819.32	29944378.69	28303751.23	24056545.03	23414832.06	23430505.56	21548853.5	21006980.93	20978231.2	20266939.37	21693636.22	20984325.67
Gyromitrin	0	139600.2046	44216.03912	693110.6968	576235.1058	655141.6383	421303.9061	352192.5207	469366.1447	1351089.969	1579261.588	1623207.403
Allysine	10275363.84	9339262.262	8565886.187	631928.0071	424173.9435	726141.3926	18600402.43	19785610.96	21324464.33	17816773.35	15872235.31	17918543.77
N-Alpha-acetyllysine	14291957.69	13880525.02	12787096.16	10417043.27	11016044.87	11342552.66	9409924.226	9422769.257	9821032.694	9353605.655	9506311.674	8930003.983
D-1-Piperideine-2-carboxylic acid	3744877.533	2606932.761	2332691.254	810315.9028	3569678.201	2903905.692	3504467.427	2788344.476	1639790.455	3216314.454	3074650.065	3281428.854
Subaphylline	160951987.3	162104161.7	187651101.8	622584352.8	611789267.9	625837072.6	888720.7481	610443.4227	6136506.025	175639084.6	187277616.8	186173807.7
(4-Ethoxyphenyl)urea	61543040.33	60827629.66	57450701.75	66593940.91	71408886.65	77313496.6	101309942.5	104773539.2	109164449.7	113712906.1	129290988.8	129432960.7
4-Aminophenol	123865356.8	120861931.6	124121748.1	104630791.2	136152272.5	109492962.9	112703103.8	135095239.4	126074802.2	119651253	121533759.7	123228019.8
1-(m-Methoxycinnamoyl)pyrrolidine	6440015.504	5617635.933	5284614.772	4536749.849	4508706.039	5293729.215	885806.4825	497321.058	687217.4931	2406752.757	4037156.171	2301396.411
L-Lysine	523934.6725	1352540.299	143909.0925	983532.0952	1910690.726	1470117.104	2852938.379	3592776.092	1751461.828	3178526.823	3791655.36	2608632.291
Albanin D	938580.6634	1286643.653	517916.4439	763762.7099	498474.3833	1533860.589	2853918.184	2839444.333	2924033.001	2852405.836	3139912.435	2963537.755
2,3-Diphenylpyrazine	23762137.14	23703933.46	22143402.71	16456637.2	18118958.12	16971771.49	17345544.34	17306415.32	16052695.14	15438794.61	14431030.35	13090411.03
Choline	492822300	507387464	461270829.5	475562725	473502882.2	451735247.4	352005274	339914568	372623093.8	328417751.7	343122702.6	333102019.9
Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	0	0	0	0	0	92796.18724	32816882.76	19018255.96	23832801.1	14465576.4	11130560.04	14517928.25
Gentiatibetine	8995118.154	8030163.225	4068361.448	4644244.976	10929755.93	8413866.065	2474261.942	2539422.766	1528251.844	2360766.953	2069633.604	2153057.528
Creatinine	2835616317	2812677714	2803564587	2690909065	2686885932	2525848090	1465498508	1607928749	1558335614	1404365253	1816272147	1512801388
9-Hydroxyphenanthrene	240924375.7	234639041	241747721.4	226567781.9	245601359.2	253965289.3	56532599.17	60452860.48	60040349.49	59998986.5	65435758.08	65895401.18
Tetramethylpyrazine	22981265.09	22499955.56	23320263.9	23320954.07	25431262.49	25241286.02	13009183.63	15258452.41	13225365.08	15734179.99	13109899.71	14456410.38
L-Targinine	9097347.108	7750163.342	9532059.02	6676880.828	8153704.197	6291487.529	3562253.68	3548535.468	3146007.27	2953214.84	2755093.341	2557964.354
Prolyl-Asparagine	45915302.55	43766921.71	45009915.76	46230699.11	45605277.03	46151175.49	5931536.665	6050915.596	5177902.688	9683686.423	9847068.905	10334452.76
2-Phenylacetamide	9959674.595	12643418.92	10607472.81	10213723.53	9227791.321	10258157.52	7896607.916	4716831.636	8595013.067	11430600.82	16623566.34	21328625.62
L-prolyl-L-proline	11028631.53	11428313.62	11019746.24	11910659.4	12295338.18	12211549.57	56277096.06	55855424.15	54554636.76	53984350.99	51772799.96	51513318.78
N-a-Acetyl-L-arginine	30176954.13	30091533.26	30157422.82	28156131.86	26753686.86	27669614.58	108290095.1	109778628.5	103301768.3	52530157.08	51513541.21	52980439.45
Cysteinyl-Hydroxyproline	4732970.067	5254401.903	3110864.896	3829027.002	3984552.382	4778588.931	3207864.302	4796196.118	4190877.483	4071483.658	4595875.705	3910700.133
Isopropylpyrazine	7989039.163	6183022.652	6759835.768	9026926.241	7084551.946	9116383.5	0	0	0	139144.3675	0	0
Leucyl-Isoleucine	202410897.2	196747582.5	275079400.9	1915963556	1861319998	1899809702	4280979.273	4042095.518	20822477.66	560667493.5	638721209.1	596724849.9
Homocitrulline	613282.1432	881284.6986	734015.7382	828855.4075	542665.4586	612662.2122	2137674.862	446232.3267	2317235.631	420532.9381	1835036.595	1746696.737
2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine	2941782.428	2624977.724	2826420.75	3193735.507	2255549.209	2521381.172	0	0	276980.7273	0	602985.2201	1308722.315
Mukoline	3460533.407	2677628.459	3386004.504	2594219.766	2681121.058	2666662.27	43835351.28	43478594.9	39079810.53	41630943.6	40894160.11	39947087.92
Prolyl-Alanine	146341856.2	89692362.72	60384819.21	107816490.1	71548626.31	124128311.6	119572786.7	75968545.37	95398644.17	84285791.91	111124966.8	110687591
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol	3997928.466	4444083.16	4061803.098	316886.0661	234730.7691	419436.1875	8184181.925	6831070.796	8527166.795	2400984.91	1582462.932	1967417.999
S-Cysteinosuccinic acid	3789446.97	3232519.242	3212352.284	2938325.29	3030650.214	3162611.562	2727466.117	2979894.109	2584242.849	2637215.208	2643818.762	2513570.209
L-beta-aspartyl-L-glycine	600913.1624	2773954.386	626779.3589	4475685.692	1031572.482	2546979.156	8628444.885	9303058.602	9583149.934	10553730.43	10509884.84	9725607.414
Methyl 2-aminobenzoate	8886167.919	8141581.838	8590275.927	6333313.453	7933381.837	7145294.281	15700281.89	16392094.95	16955463.87	15655034.69	15544653.46	12057177.31
D-Galactose	3620423.662	3292314.66	3764944.368	7862263.617	7968516.399	7503790.355	292220.2596	608554.5997	232802.6835	167468.2694	251818.4472	188160.9597
Phenylacetaldehyde	303263646.9	300851645.7	282304830.6	233526193.8	218142474.5	246009689.2	4293539.912	4425402.43	4030183.581	2246382.417	3174702.994	3079788.616
Histidinyl-Serine	6969080.281	6076441.315	7702528.747	35176247.16	34209356.76	34357509.94	3539606.239	3770971.683	3326109.094	3936178.613	5740247.753	5824415.829
Leucyl-Aspartate	34653193.15	32032350.6	32466142.08	39553937.11	35858456.97	36254615.84	8260906.519	7486629.458	8564143.479	14524827.05	15595349.75	15009023.93
N1-Acetylspermidine	1848715.13	3574363.645	2916972.374	6835493.705	25370564.58	7449748.679	6853517.574	7087301.726	2657768.917	2399415.82	13434564.79	26596637.94
PS(22:2(13Z,16Z)/20:2(11Z,14Z))	0	0	0	0	0	21711.18593	24107141.1	18665935.84	19379877	91790103.29	100922866.6	92728080.56
4-Aminobutyraldehyde	19643919.37	19225002.73	20660453.68	12049378.01	12014864.09	11092929.14	32895505.47	37586324.93	28313382.31	22794018.29	18979259.96	15313844.17
3-Aminobutanoic acid	10104672.61	8653970.576	8756034.229	5200940.419	5840168.334	4984354.869	48029281.23	46775746.25	46226919.99	41542070.29	45552957.72	41232026.12
Leucyl-Serine	392598572.4	398175671.4	470591247.6	476008691.3	480687126.5	400250859.6	7346574.072	7281079.465	10651442.55	133229449.9	175466662.3	174964238.5
Ethyl propyl disulfide	0	0	1586066.089	42569452.16	42312374.76	44876041.15	80030007.91	76795907.62	75849082.38	42123614.77	48124730.59	40934730.75
5'-Deoxy-5'-(methylsulfinyl)adenosine	6380232.454	5951651.372	6270086.604	6088558.672	5634065.43	6113821.952	16909886.39	16421122.91	16234269.64	14354146.56	14331689.29	14645821.5
Triethylamine	129221320.5	112404866.4	111292293.4	64915216.15	72902502.53	66939958.18	45855386.77	31230765.59	72212691.81	75955733.09	81150453.5	139509458.2
Phenylalanyl-Glycine	60774295.83	52733121.28	53523607.64	63070118.71	67897856.32	65506722.38	459524.1634	572601.7538	412538.7845	6438431.083	5517491.585	5230701.486
N2-Methylguanine	59350393.17	57763942.4	59786213.09	36770791.72	42029433.53	39037429.46	48978528.55	52456864.09	55863025.24	44463238.36	48121151.29	46558994.41
Dopamine	12681643.03	18236248.88	12955891.35	22016453.01	21997332.93	10502378.48	2139172.222	1973218.9	1618944.226	1806989.074	1987072.48	1927322.612
Pentanenitrile	26176252.22	36619387.57	33806459.91	27758769.41	29133498.9	21469594.55	5088339.661	5019961.913	4915221.108	5163624.715	5172715.164	4601695.935
Triphasiol	542772.702	5605094.081	5302640.813	804031.3202	2657921.142	295131.8571	3785607.052	150434.6515	2768500.161	1925126.434	2993584.446	2692841.825
2-Methylbutylamine	13312852.16	12761064.31	12012895.53	9461711.157	9792788.305	8553975.941	16584959.74	17476874.55	15170876.71	15292675.41	15368430.21	15023894.04
Morphine	25806579.37	24348664.84	23300929.39	23605586.18	22599355.64	23266210.86	17480740.55	17720729.37	18298113.19	17880638.81	18151159.36	17423870.52
Histidinal	14492624.97	14559276.69	15647290.51	19325938.02	21503530.35	24619978.92	7898097.169	3214991.321	7302799.602	7387873.433	10797639.99	7782212.193
Aminoadipic acid	6682427.664	6590307.175	3536199.647	7793945.653	7463017.708	8761137.402	134126565.9	138358155.9	135626564.5	113124659.5	112971123.4	112913510.2
Decarbamoylsaxitoxin	397562.9777	262753.4084	316611.0939	196642.9595	91800.67077	319270.9923	2712077.209	2753148.739	3038785.835	2486927.374	2891764.099	2536789.662
Methionyl-Methionine	11034612.34	11522316.86	11641999.78	24315004.56	24777870.39	26276077.32	1956969.889	1601560.512	1438791.628	530000.0444	500648.2736	465947.7863
Phenylalanyl-Asparagine	6582776.364	6409441.082	6939158.273	12684458.18	12980454.73	12736475.03	1397771.835	1229597.295	1357476.657	3926235.035	4038564.162	4054464.358
Tyrosyl-Leucine	130952755.7	136120432.5	142084570.4	117363146.5	115028144.1	130750894.1	999719.9169	973564.2488	2218508.098	28615442.61	32299667.36	28602808.84
Laccarin	3067872.915	3889645.539	3647715.877	3422354.298	3322327.276	3118114.914	2326469.348	2622940.413	1152584.038	2118773.25	1216452.17	2119533.989
Argininic acid	96714063.86	95223737.76	91952230.93	7589090.739	7265190.946	8044173.676	8059861.432	7522292.217	7086203.072	632391.6157	1611223.751	1133465.685
Prolyl-Glutamine	153492851.8	152530748.5	155593998.7	154633421.8	151902590.4	156360295.2	23717481.18	22555546.73	22219677.87	30898490.27	31506980.86	32168700.92
PA(21:0/12:0)	5721759.082	3780747.251	4353154.847	3439917.988	6434561.134	6354395.959	158346593.5	149532301.6	140587971.7	124552112.5	118713998.8	128664165.6
Piperanine	2668226.156	3512278.042	3644524.76	3246438.505	2978887.472	2409875.098	841341.2953	612520.246	576411.9627	1492908.662	1960979.489	1905614.868
Phenylalanyl-Alanine	27381902.45	25858465.37	26650986.26	24350782.55	29644775.19	23615133.75	4986125.124	5242672.258	5411833.445	5335097.809	5570070.208	3408605.329
(+)-2,3-Dihydro-3-methyl-1H-pyrrole	57443846.63	55051484.93	53991821.29	51801065.17	46733953.69	50161361.06	16399460.47	15981493.82	15213562.42	17561431	18179333.24	17747644.66
3-Hydroxyadipic acid 3,6-lactone	103744.5611	64562.39502	72934.41716	3734511.53	3998688.059	3857690.451	0	0	0	0	0	0
Methylimidazole acetaldehyde	1852213.71	1377974.173	1648854.624	1446523.908	1643124.105	1596970.753	929935.7142	1129950.564	822904.999	801241.5725	1269843.454	1242755.197
Valyl-Methionine	193766493.9	212286810.2	201605209.9	218776105.3	232170341.2	223931557.4	790453.5747	564190.1529	521727.5348	883972.2162	1006411.861	888964.8275
Schinifoline	9092992.005	9046309.241	7447880.24	2495723.36	2604067.102	2127510.508	7378436.738	5551408.363	5313721.685	5466963.973	5194449.257	5355593.598
L-Kynurenine	1250765.182	1589033.982	1603805.255	1350201.33	1476228.963	1485104.654	153509.6143	0	0	148704.3608	0	0
Adenine	11073043.53	10136761.41	219383969.9	1030204718	1222606146	1137056051	349134276.5	316751334.4	337457339.3	299737851.7	307597291.9	270374044.1
PA(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	20367.76551	0	0	0	33599.69249	28873.68273	41077542.31	36502363.73	34995335.81	30144548.91	31728696.79	34712498.04
gamma-Glutamylisoleucine	16359034.28	16888959.64	16084889.26	18338697.48	13644370.09	21049369.04	7532992.249	12473135.38	9802556.62	3243821.536	3304270.673	3206244.995
Isoleucyl-Threonine	131860492.4	120258967.1	270437843.7	120319643.8	111862268.4	268482878.1	16919170.64	14876655.92	17262229.67	66814238.31	146427134.7	145132339.7
Histidinyl-Glutamine	11766726.45	10944253.51	12736590.18	35090177.42	33213453.2	33859389.5	3249328.826	490958.4595	822687.31	8175910.052	8512370.434	7629677.881
Histidinyl-Lysine	6493898.127	6857519.203	6619205.35	18962883.35	18505640.29	17271646.79	1824012.882	1782551.652	2077561.671	1956131.019	1421312.383	1725348.21
Valyl-Valine	201946098	190887060.4	185696467.2	254360478.5	221088808.5	230951941.3	0	0	2688459.445	125298911.5	130427947.4	118884562.3
3-Ethyl-2-methoxypyrazine	2423771.07	2673751.94	3363769.425	2118801.989	3110905.362	2662482.129	14861704.76	13760033.81	14795278.81	12866577.08	13193503.9	13773926.5
Tyrosyl-Valine	1085053.316	899112.0077	12635511.12	24216995.69	24393803.76	26300717.65	2536528.233	2087877.837	1957368.595	528654.8068	650766.3258	819693.9901
Porphobilinogen	7063987.014	6674150.109	6410590.592	5601471.471	5802792.582	5551430.536	7118405.643	6091960.049	7591493.874	12285254.54	12583298.63	15217176.07
Prolyl-Lysine	53964794	53773654.62	54553594.06	40467088.35	41667852.12	39294467.08	11731822.45	11242521.34	11785287.47	13159491.13	13073737.18	13859258.2
Leucyl-Asparagine	297294266.5	277784903.1	268591152.7	215416291.6	244003521.9	220111498.9	20604134.73	18455349.42	25951814	196619779.2	208995206.9	246179435.5
gamma-Glutamylleucine	180773306.4	171555175.1	178429946.6	186079711.9	174630969.7	178977372.4	2865138.737	2507337.608	2757904.439	22308757.59	22800514.99	23283189.91
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol	2765992.169	2357532.243	2487533.013	1583907.378	1697083.644	1586400.638	5766185.908	5943914.409	5166551.756	5929052.333	7060759.922	6029196.856
Lactaroviolin	14027120.63	14551046.49	16519852.47	18559007.43	12450837.68	16437545.11	29808865.67	31305327.61	34687741.21	32830550.31	39583091.13	35591699.65
Histidinyl-Proline	307504.4232	610330.9086	348136.1334	196448.735	49144.69473	1136940.105	2861738.084	2153864.385	2291125.073	1864468.2	2418381.417	1945232.308
Trigonelline	40129822.36	41842040.82	49427049.91	34882774.21	43662190.97	37793285.97	12284179.98	11764791.26	13889072.91	11185648.65	11853647.83	13078897.98
2,3-Diethyl-5-methylpyrazine	6145837.059	8555051.293	9243155.092	6943530.293	6174773.842	5935436.975	4914165.891	2556725.69	0	7519358.964	10299841.48	8480980.854
8-Hydroxyadenine	2162272.204	3211658.454	2996857.257	1797736.908	1306478.474	1519879.423	11811633.29	11264527.17	10217001.08	1329418.418	1520484.114	1165749.453
cis-2,3-Dimethylthiirane	15835506.59	13956061.84	15049951.28	7823267.737	7422873.743	6919468.616	532831.3587	309389.5508	264107.138	226986.3516	109663.7996	153981.3608
Piperidine	52390250.11	46256590.12	46171489.42	35391551.3	38293889.96	34624940.72	12324346.87	13584977.92	11006449.67	7541103.133	7427216.784	7020937.465
2-(Ethylamino)-4,5-dihydroxybenzamide	10612600.29	9883227.795	10003091.39	8828441.817	8595757.581	9230960.668	6033811.724	5819911.194	5644909.089	4426591.59	4435365.557	4934199.606
Monoglyceride citrate	8768478.43	8231229.108	6599118.886	10979662.62	11802898.64	11826300.14	14677935.16	13546012.76	15418155.02	13206001.8	16104809.76	15946039.32
Prostaglandin J2	25126741.58	24817908.15	25182139.11	32563259.5	36091009.89	55267284.21	9647236.21	9432549.637	10141465.23	9504915.934	10412087.82	9703111.948
Distichonic acid A	8752809.892	9846812.949	9809525.555	8430402.816	9409160.348	10271271.68	1307078.015	1673874.114	2416478.155	3950129.222	4389535.857	3966802.401
2-Piperidone	30673764.05	26668848.92	28033099.26	26149823.63	30923824.71	29365972.72	13676175.35	13996871.56	16213379.68	11228792.66	12034269.97	13042398.53
1-Hexanethiol	37643435.64	37321962.73	37929108.54	33229421.64	27953570.54	31709483.05	24149409.11	20250163.43	24615512.46	16017942.72	19678783.51	23448991.65
Norcotinine	6197350.122	7403752.556	7597414.44	3619635.954	3518715.639	3262842.413	2123435.508	3101838.166	3334341.479	3065233.49	3109378.599	3233610.63
2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine	2457555.031	2835000.31	2865777.097	2509952.513	2278044.284	2068240.757	2208468.706	2670669.684	2210267.945	2326226.505	2229283.117	2212084.559
Isoleucyl-Phenylalanine	11074945.62	9165533.757	14960042.12	102270433.5	119518037.7	108200961.6	777155.6607	602166.3289	5833476.552	132798194.5	152519581	137210548.1
1,3,5-Trihydroxybenzene	100465.605	0	427556.7715	14271670.29	15641516.01	15657051.86	0	0	0	0	0	0
2,4-Diamino-6-nitrotoluene	2831534.112	3654821.544	1363209.993	1215335.483	1082929.407	1951094.539	3178143.566	2298535.3	643758.3646	1765958.034	2181837.284	2019034.469
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	47260917.01	46424432.68	45356313.48	314706.7195	222475.2805	0	1328368.302	1389952.924	1499362.985	0	0	68528.35519
Imidazolone	527219.1582	292926.6598	273108.0008	316729.45	155618.6373	430218.082	604107.638	564380.397	419786.192	727716.7209	569785.4159	638568.2075
2-Pyrrolidineacetic acid	2415212.45	2090392.294	1356518.82	3326867.357	3004686.601	2489489.266	4474190.281	3971569.199	2709362.833	6180078.332	6660481.892	6504977.009
Pyridoxamine	6611048.31	5481696.035	5490333.42	5204002.249	5484713.379	5981829.072	2898357.724	2382242.055	2580855.098	2979031.237	2932407.116	2904114.041
Threoninyl-Glutamine	2513855.719	1910578.342	1400186.109	1635957.694	700563.8854	2160088.931	1342613.196	1320636.458	1354673.73	1854114.862	1385293.265	1843860.943
Harman	3982145.965	5241980.828	5781703.484	9199680.73	8402910.963	6449228.258	645780.2325	793206.2986	809064.6593	767154.5041	774368.2533	822793.6006
beta-D-Glucosamine	3801962.399	3897732.436	3120345.409	3653459.052	3271459.774	3643451.125	10361576.28	10176813.77	9899654.414	9257536.134	8644407.75	9054695.571
L-Methionine	530998539.3	562970905.4	626050166.4	431977587.6	476802967.5	442894901.7	10595264.99	9931840.308	11489256.89	21061464.38	22544314.12	22915374.83
3,4-Dihydro-2H-1-benzopyran-2-one	23593348.41	21886483.24	21508446.18	20421771.99	22833604.68	16816927.4	12110427.82	13010065.34	13700410.27	14621202.33	13477751.64	14611596.67
Dihydrouracil	7093397.819	5939440.78	6291815.219	5860772.32	7625155.355	5888530.883	800263.9342	0	355466.2966	352086.4399	555151.6037	0
Serinyl-Gamma-glutamate	14369281.33	13764047.46	13966999	13883443.8	12973992.07	13680334.52	724178.4792	703134.9247	701689.873	2465310.455	2501420.179	2675599.05
L-Threonine	2522638.439	2366719.6	2325306.333	2326602.627	2274475.761	621054.9853	2126342.994	1944921.098	1975410.208	2040840.079	1416486.725	1883012.088
Muramic acid	4248891.205	4403186.875	1323397.634	4711094.401	3495769.804	6275966.929	19267033.31	16697796.99	21051253.36	17932746.62	16527989.07	18771373.1
Denudatine	37094240.09	34524370.71	42680223.83	157231573.2	178366300.6	170285040.1	17115119.81	17903447.38	23515317.05	56890101.19	77634110.79	59575097.84
(E)-2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone	701596.9563	864619.9447	1118894.22	945496.0128	1319943.286	1055457.88	8913871.073	9359085.78	9079526.618	8509273.938	8695098.01	8826914.272
Maltol	2247258.896	2247816.369	2093833.191	318022.6853	270461.103	248964.3377	1234901.71	1456542.474	1264678.738	0	42180.4309	0
Vinylacetylglycine	480952.9322	1412502.398	1353613.781	962498.2718	1249963.333	1090454.979	23892401.12	22467056.67	20762766.03	31830411.03	26062272.2	15003634.63
Lysyl-Leucine	2566286.716	2438200.253	2213328.152	3669462.839	3566884.131	3525333.663	3772405.744	3509783.073	3799790.424	3233105.924	3101939.31	3276201.864
(-)-Fumigaclavine B	12495570.23	12290543.59	12422617.28	11732268.83	11974109.16	11697101.16	4055609.826	3816636.783	3558899.169	3405393.75	3255339.837	3361177.543
Xanthurenic acid	6338633.557	5571865.183	5525127.849	5112280.307	6379088.167	5749616.396	1722850.251	1528555.095	1094626.718	2175624.503	2790074.287	1752206.503
Tyrosyl-Histidine	0	0	0	1477535.778	1525898.817	1658737.025	10141869.67	8169603.435	9250375.076	7456445.304	7054606.847	6896756.448
Melamine	4635990.803	4289080.155	4418840.3	4829062.835	4806219.609	4246096.06	2647363.273	2433468.995	2187358.453	2455038.375	2347558.716	2153859.01
4'-Hydroxyflurbiprofen	17592838.41	17549611.85	16083069.92	10866123.17	11410604.44	11099896.46	4381595.337	4777394.157	4548057.05	4620837.885	4734418.013	3860971.669
Serylaspartic acid	6165532.007	5512579.291	5460360.277	5917612.551	5855174.319	5766754.762	1042087.753	1022569.78	775359.0499	1870459.138	2360412.68	1804925.571
Isowillardiine	3008039.716	3034062.866	2527073.431	2995024.51	2876389.661	3078844.74	2591074.769	2034296.503	2123052.64	2780417.778	3120038.57	2680333.271
Nornicotine	1060524.214	843773.9142	1268608.124	1199408.782	1361393.5	1059828.905	482322.5159	384519.0799	499218.3962	597111.9741	1108280.738	220624.6203
11-Dehydro-thromboxane B2	1441607.341	1379071.904	1291577.724	664172.6677	769483.4	685123.0032	212792.8875	273367.7146	349959.5538	341112.0254	174538.8096	287217.3332
3-Aminopropionaldehyde	145928610.4	147004183.8	136454752.4	64890602.62	80356848.13	77276714.31	432353492.1	558039344.2	460761242.1	340686222.6	391363700.7	349566540.6
1-Isothiocyanato-3-phenylpropane	4078560.769	4590446.655	3181417.314	3065600.417	3172000.206	3199009.886	5523003.197	4956454.506	5476900.271	4592506.493	4845584.211	4737152.118
Ethenyl acetate	6737696.05	8146946.206	10480706.55	4410099.343	9946973.063	9115086.304	24673124.6	23650327.89	24678842.13	22477239.91	22062994.11	22250885.95
Tryptophyl-Methionine	19124882.28	18422500.06	19959599.75	21174010.53	20697231.61	23013054.51	2558734.916	1793473.579	1885200.748	183641.2234	282367.1252	330043.915
Aminoacetone	8329494.356	9006734.383	8123924.855	7872512.882	8505526.856	7223157.231	7701749.758	7327451.034	7749315.569	6856737.116	6799426.099	6660224.507
N-Acetylputrescine	5337264.545	3314499.023	3923250.752	3726477.287	2865394.227	5004889.699	5110455.21	4626782.295	7166529.529	5142064.875	5555586.689	4251544.458
Lysyl-Phenylalanine	17078071.14	735655.1266	7600608.816	21297015.58	20711327.6	19888322.78	4710180.676	5388052.756	4796780.653	6963118.735	4759307.977	4613054.371
PS(20:2(11Z,14Z)/18:2(9Z,12Z))	0	0	0	0	0	0	64003619.98	69648598.38	60120154.35	110225728.9	125482338.2	91146887.95
Ethoxyquin	4700082.313	3986948.485	4628834.804	10552475.26	8818830.393	9302704.406	4622623.511	4513427.971	3885810.1	6054013.022	6395586.309	5510875.371
beta-Alanyl-L-lysine	119284536.4	122067317.8	121649767.5	197649039	201511575.1	201990038.2	48127977.34	51441739.91	51584114.08	75511132.6	76821276.29	75082835.77
L-Furosine	3242950.325	3737354.529	3482484.342	3179240.041	3279308.479	3385612.919	4200408.647	3982811.205	3566947.368	3237780.695	3603946.123	3723779.607
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	0	0	0	0	0	0	49765058.69	49397232.59	56764480.62	84667665.34	83246102.81	79912643.87
5-Methylcytosine	11260160.39	11255319.05	11359427.51	8174863.259	9224480.876	9144073.181	6105716.809	4771751.039	5726918.584	6191608.661	5487629.508	5074737.113
Lysyl-Histidine	2456501.186	2169849.307	1960259.06	3373400.487	4201864.282	3921588.898	1611976.179	1366012.005	1415320.066	1519511.439	1430817.746	1661238.332
Isofebrifugine	23694320.05	23035627.92	23225181.62	33067978.68	29461605.48	32190707.37	5227431.461	5932849.171	6112881.178	29960668.85	32370525.81	33227708.61
Glaucarubin	0	44859.27841	230066.4615	292141.1028	199101.1132	179977.5784	3154205.975	2491834.264	3188498.421	3493679.873	3330890.731	3313573.107
Metenamine	1431592.687	1513357.505	1365819.512	795543.8391	2039176.356	1669231.586	4753313.214	4446299.165	5041795.378	2282239.835	3785481.702	4472800.739
Isoleucyl-Tryptophan	102077324.3	95008256.46	107817878.6	179326237.9	176932041.4	185988774.6	3395668.659	3239304.163	4231850.045	33313569.39	35174997.99	34709069.45
O-Desmethylcarvedilol	112175.9793	72512.28159	0	259230.1154	157600.1565	170116.4869	2135820.56	1972230.246	1554988.97	2926270.569	3535591.813	2816572.614
Graveoline	72554250.94	71466511.96	68707689.9	57451571.53	58539235.28	58150394.23	100441497.2	102849285.8	105614181.3	86926308.34	83113090.72	85510735.82
Eicosadienoic acid	4824.528606	0	0	0	0	0	1999511.696	7075967.966	3737412.17	8917503.041	11942132.11	12261556.28
2-Isopropyl-3,5-dimethoxy-6-methylpyrazine	23688906.72	21203023.32	23517698.63	20571579.41	21928703.88	22512274.68	816231.3203	1430211.127	152221.3236	1561281.095	438628.4676	159032.8764
3-Pyridinebutanoic acid	9069610.677	8360276.415	7842472.126	8534325.664	9025961.859	7835367.269	12140037.16	10191301.44	11374174.5	10399589.27	11518566.08	11004512.67
5-Aminopentanamide	1026262.684	854203.672	1393272.34	992493.0905	946327.0593	811904.851	1373888.255	1842372.822	2019790.068	440504.0871	1417533.042	855573.7539
Tyrosyl-Phenylalanine	68585598.8	64980216.19	67714509.77	98424838.29	94223605.53	100125047.4	104299.7948	78316.87545	311953.3247	11936376.48	12115602.7	11778341.61
6-Hydroxy-1H-indole-3-acetamide	9745568.912	8410609.222	8892182.127	22460263.64	24088167.43	23432427.35	699473.962	518474.8578	669382.1443	2988839.288	1643851.274	2202519.101
1-nitrosonaphthalene	8909200.709	9152655.331	8204464.819	29296954.37	34689416.34	31174988.14	3839489.366	3148990.686	4439446.682	3685743.06	4188659.164	5947922.239
Cortexolone	21832161.95	21996422.73	21851768.26	42732661.6	42583827.12	43447670.18	14183052.1	14054926.3	14168975.84	19490992.19	18047221.71	18947292.59
trans-S-(1-Propenyl)-L-cysteine	797233.1001	336833.9392	375494.0697	586640.5999	302811.7891	457662.9805	8125256.712	9107282.7	9649915.487	205774.9135	0	0
2-Methoxy-3-methyl-9H-carbazole	407186755.9	412677071.3	425737919.6	318141482.3	364411006.4	334458211.4	50646328.53	50762999.87	47589107	50524030.26	52265903.13	47650680.57
D-Arginine	4540819672	4843353923	4565392373	4315981741	4316309581	4341214106	3131516957	3074151294	3125841561	3035341665	3015667969	2962278738
Proline betaine	432567.5412	314736.4014	413878.3664	461260.0114	548693.924	629645.8068	610032.4652	598995.1035	598732.2771	590103.5398	572131.51	515412.7635
L-Theanine	23333366.96	22171500.65	23620852.02	22401025.87	22068330.96	21256039.4	19956585.54	19490554.81	19613861.92	18316841.88	18819681.41	19693291.91
2-Ethyl-6-methylpyrazine	13516459.1	12946631.87	10723158.81	20237493.97	21622464.22	21450144.02	789875.9121	1582941.512	1194407.689	10596952.56	11340736.75	9910643.635
6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one	2441651.609	2191582.005	2113644.128	4096477.991	8047585.892	3819119.55	2401546.858	3867799.914	2429501.74	4238974.72	2557732.529	2519789.527
Methoxypyrazine	186347.8884	320042.4528	90668.2699	176578.5491	307720.9311	173162.5065	749267.4371	369721.8148	344905.4627	343516.0741	205064.8904	350500.5899
Tyrosyl-Gamma-glutamate	7593411.495	7193976.896	7621821.919	9285320.745	8560953.585	10590801.87	13340578.96	10948410.9	15996072.65	33265819.32	43617285.13	59990849.48
Deterrol	49464595.18	47084521.82	49166919.1	38890237.72	58282534.92	55525602.38	6954512.253	6718938.971	5181476.095	10166065.91	9703052.216	9317618.567
Ribothymidine	5592854.05	5805327.037	5679392.642	10058123.17	10142470.83	9958530.658	11235839.32	7736558.298	8365171.398	8925145.89	9470938.226	9482060.103
Lysyl-Aspartate	1833407.345	1500763.218	3165619.522	2917665.539	2154504.792	3955362.828	633934.0918	14134782.86	996151.3628	24043100.51	25630184.32	26553633.74
1b-Furanoeudesm-4(15)-en-1-ol acetate	24626737.98	27070339.55	29957787.1	24771154.48	25219276.84	27469435.19	3162919.826	3674925.877	2985128.921	7116522.408	9196560.013	8307135.933
Phenylalanyl-Tryptophan	139688.7855	73838.62933	0	4924432.228	7370128.243	5174855.414	154989.9623	78136.0361	78116.02344	71386.79253	1638559.677	73370.08424
2,6-Dimethylpyrazine	898676.2837	995169.0267	1129454.322	14899146.52	14019553.62	15395726.14	15170790.15	11245521.24	14587293.63	26935509.58	32101011.7	31839219.4
Prolyl-Arginine	6576695.528	6425509.98	6753200.511	9344883.393	9485137.347	9950557.86	1078914.683	322437.3394	1168797.785	4404729.661	4466563.672	4269118.524
2-Pyrrolidinone	8322620.36	9372548.68	7447252.043	10048276.39	7884076.793	9480342.217	17091878.01	17755495.84	17596956.63	16006917.39	15866784.04	16526887.72
Threoninyl-Aspartate	31915301.04	37751561.64	30480107.49	30901903.45	30965852.42	36860493.41	4392213.682	5005387.06	920519.8808	12584628.79	10819702.82	4589984.862
Erinacine D	0	0	0	0	106385.2065	46665.61396	8387344.271	13011903.27	10404491.91	6942464.882	5082306.223	2044810.581
Riboflavin	2594647.056	3400773.854	3735154.045	4278813.765	4097462.641	4101106.033	1278033.271	1081339.223	1680104.445	9031452.444	9195720.264	8109113.802
Valyl-Tryptophan	84065892.74	85961682.29	83377403.7	105804088.7	107543917.9	104012858.6	81570.75569	56526.35025	523292.5253	24530301.62	24221782.4	22717021.04
Haematopodin	22259381.15	21194761.59	21188940.46	16170319.27	17999476.67	19902378.51	0	544591.4476	0	1982379.787	798390.5425	1661020.683
Simulenoline	2864403.557	3017061.955	3360086.809	2663368.739	2518001.393	4592424.584	0	0	0	0	0	0
desmethylclomipramine	3426114.72	3367049.874	3733873.779	6615387.858	6358955.315	6611933.799	7358079.994	14099894.78	6421396.733	8522545.139	8869931.294	8925069.29
2,5-Dihydro-2,4,5-trimethyloxazole	1729336.943	1654520.715	1720574.265	848455.8598	1578264.013	1080747.341	1949248.176	1224899.069	822266.3614	1266426.83	1443327.772	583964.7155
L-beta-aspartyl-L-threonine	21334648.77	17375421.96	17796915.03	14316324.64	15630220.47	16312252.87	12985022.37	15197961.01	14190408.43	12094111.62	12865921.26	12651471.47
Tyrosyl-Tryptophan	6410745.458	6209699.61	6205233.708	5100413.669	5424217.639	4901040.433	0	0	0	2408181.232	2411183.827	2146734.813
2,5-Dimethyloxazole	2519659.471	1203480.919	614108.5023	996315.6887	1107656.807	918710.0477	0	0	0	126576.2716	0	0
2,4,6-Octatriynoic acid	86641273.3	92764320.25	103810733.8	69550360.27	76827966.84	72571900.6	0	0	0	0	0	0
Hydrocotarnine	9060282.158	8033634.855	8791260.15	1696256.166	2016205.466	1554461.453	11853253.35	10528434.05	11235201.55	8822927.612	9594786.876	8577597.259
Squamolone	1343132.398	716050.1334	939359.2833	246321.9025	348613.0495	149010.7411	396533.2345	558836.3127	545114.8722	1711711.345	1112353.426	1201854.804
Dehydroisochalciporone	532608161.6	544530419.1	516449617.7	484751257.6	510595390.4	522210712.4	17558839.18	21661287.15	18637412.91	29165193.68	33077589.07	31189267.18
1-Pyrroline	45412884.36	44272249.12	44397744.44	42557827.89	41802053	40305999.48	11015933.8	12531729.19	11051975.2	11393688.86	12409320.35	11493989.99
Saxitoxin	8729495.916	8672680.269	8621603.008	5076982.149	5112229.045	6114812.635	625759.0654	159020.9021	235031.2742	142231.2447	236756.0779	763177.9702
1-Octen-3-yl primeveroside	4810095.164	4450206.576	4458725.968	3403007.494	3754858.655	2688982.322	0	0	0	0	0	0
5-Methylcytidine	45694676.04	35775659.61	22072543.7	29841312.15	25309485.94	39047799.54	4654169.968	4109863.68	4172800.533	8276016.981	7445616.155	8553698.548
2-Methyl-1-methylthio-2-butene	5645366.816	5217129.76	4984108.01	2693982.71	2868410.552	3106060.877	3510279.579	3924417.33	2973084.782	2169673.519	2957897.361	2193987.674
Acetylcholine	24465248.91	24754849.84	24003093.37	21667408.75	22095116.76	22434960.01	10090330.57	9622630.019	9999365.533	7611161.134	7690464.654	8097840.703
Glutaminyllysine	4740497.582	4678475.089	5581838.187	12674479.34	13056893.96	12967348.6	3438649.53	4101482.895	3306769.853	5347205.866	3091177.821	5020366.655
Methyl acrylate	2141842.411	1691664.179	1808424.684	1206548.31	1438558.749	1081149.061	10075750.02	9840370.656	9799320.365	8813189.091	9663496.355	8185830.119
Trimethylpyrazine	790626.4004	551614.5433	666019.2753	10105596.56	10810124.44	11392088.27	13885822.07	13438836.41	14236844.59	11835659.03	13102551.83	11456811.57
2-Hydroxycinnamic acid	44131831.34	49257697.09	42756481.61	40312946.48	36747634.59	41311569.62	30532581.33	19190150.21	32741776.99	46848321.22	64650702.46	86412796.13
3-Hydroxykynurenamine	4735628.725	4647544.16	4675637.999	4608982.209	4021903.593	5011703.284	3769235.614	1733356.1	1639890.087	962320.4716	2181196.158	1903177.538
Prolylphenylalanine	27749306.38	23762953.16	25439163.23	24006203.81	26693485.74	27131604.94	792947.9159	547790.7116	1001682.128	463171.0119	175124.5811	234119.1394
Thiomorpholine 3-carboxylate	0	0	398392.0473	291241.687	450700.9517	329174.7852	0	0	0	0	0	0
2-(4-Methyl-1,3-pentadienyl)anthraquinone	657690.9675	609557.1718	473101.9393	580987.0374	346138.1552	555531.8222	12961974.65	12704699.34	11976723.79	12251374.11	11601096.36	12194661.01
L-alpha-Amino-1H-pyrrole-1-hexanoic acid	41662948.52	40128362.09	38671754.29	37939040.39	36742712.82	38503217.98	500448.5797	1017126.922	695563.7763	2072704.337	1613224.093	2021459.446
Biliverdin	4943327.571	3994728.378	2187434.832	2475343.584	1575250.654	3262781.694	55769.85612	47477.77025	29806.08931	78055.76383	63670.47108	75878.11285
Theophylline	10950778.17	11514940.68	11263327.84	7512176.475	8465326.532	7710227.41	2840753.018	2505571.722	2748661.791	3094216.974	4250867.307	2525460.644
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	3256450.495	3832990.049	1971443.156	4930294.257	4345993.737	4765327.819	2225431.618	2690482.208	2586714.786	5361733.33	4682322.969	5378665.141
(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)	3931944.812	4594696.549	2606868.693	4171244.488	4363052.906	5786538.818	5128225.262	4677227.746	5262412.121	2738283.326	4687531.4	3485400.209
Prolyl-Methionine	2943760.329	3276454.514	2825611.214	3090211.228	3870994.482	2332064.339	1346860.013	1800187.608	2132990.233	4386773.808	2478035.365	4705365.023
Piceatannol 4'-galloylglucoside	0	0	0	1677085.388	2622212.792	2491042.974	37588361.65	38515204.02	33618409.47	18106953.63	22835071.45	17347165.84
Notoginsenoside Fe	0	0	0	0	0	0	14871796.65	18209149.32	14584433.93	17081402.81	11436061.25	15035233.95
(2S,2'S)-Pyrosaccharopine	17087801.93	16787845.42	16274996.37	11161309.5	11113052.92	11252020.65	25618014.62	25741520.35	25257683.44	14365094.49	15067168.73	13777833.83
(+)-threo-2-Amino-3,4-dihydroxybutanoic acid	520279.7304	983495.4153	2082854.044	13343760.17	13163554.33	13022880.01	8265041.637	6670733.669	7075759.647	6990826.785	7703288.724	7792132.741
3-Butylidene-1(3H)-isobenzofuranone	18267469.84	18602459.66	19591794.74	14527774.31	15848122.78	14213609.92	139211.7729	0	0	0	0	0
Tromethamine	1113212.886	1006302.582	1009930.284	996552.3354	968163.4541	1013898.587	940499.2528	1109259.456	870772.6414	1000671.288	992958.8801	1051378.26
Catechin	4620605.016	4045878.767	2948360.531	6351413.803	6762698.636	5955722.906	0	0	0	0	0	0
Ethiin	13042302.79	13195722.44	12311788.4	13895847.54	14455600.31	12429626.56	13473892.73	11540001.29	12917091.61	15989001.27	14310926.9	14392231
PS(22:0/20:2(11Z,14Z))	0	12620.04935	0	37712.82122	0	95091.4225	26787542.77	21850148.67	30116233.71	85293334.19	80749510.35	56235046.2
Glycyl-glycine	134864320.8	126845484.1	124935404	115698109.6	113520544	116755560.6	25323177.69	25459946.12	28164856.35	84515001.28	84898150.76	81449976.71
Bergenin	205317.4926	0	600346.0783	20754882.22	23964727.73	19433297.85	953087.584	1313411.626	760179.9284	609643.4388	1055338.9	895600.9308
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid	0	0	115153.2938	146981.3071	0	148579.4476	1678158.579	1575904.792	1491631.745	1643324.706	1728134.645	1621032.964
(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid	4263094.177	3909637.629	3879665.234	2850762.775	2606527.119	2405497.999	9252293.614	10477742.8	7335497.762	7077604.758	9701862.145	10473681.68
Aspartyl-Arginine	1184889.962	1933667.23	1515706.722	5349516.381	5972921.634	5461767.564	5302655.12	5678584.078	5506870.456	3735468.933	3696902.095	3784917.103
(S,E)-Zearalenone	6000090.178	6555530.399	6155429.923	4976301.713	5432952.063	5238475.122	14886781.57	15176635.88	14745853.42	11299141.15	11446853.63	11289030.36
PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))	0	0	0	56094.93949	103033.3751	113181.3542	43449921.3	39495455.82	37095893.73	48430797.77	51861995.54	38800830.91
L-beta-aspartyl-L-aspartic acid	1265265.437	1573111.317	1343978.315	1846042.041	1175521.224	1896625.218	4786839.784	4682726.252	3073650.84	4022238.256	3999938.402	3790927.886
Neuraminic acid	1827644.421	1748115.826	880693.1711	2615549.302	3014424.062	3138527.996	8094671.975	6711149.122	8169633.852	6670114.786	6498738.618	6450032.483
Anonaine	25345683.71	29257077.61	29344771.09	26966289.46	26326353.28	21948039.05	18198978.51	16725385.42	17977007.06	16927904.68	17165873.08	18919209.43
Malvidin 3-(6-acetylglucoside)	3782523.663	3557668.638	3337442.007	4102651.125	4224332.412	4025725.71	1232545.418	1176264.761	1225814.104	4335159.425	1300891.113	1002018.958
Glycyl-Histidine	8432317.361	8621955.784	7388140.011	2362540.413	1874470.838	3942067.227	50430384.6	66227778.31	57522300.24	43102585.3	55223367.23	1208195.734
(E,E)-Trichostachine	2824588.07	2965888.23	3130029.952	1948923.428	3232498.877	1979009.364	26683382.79	25690253.03	26327923.2	21927251.88	28598875.89	25652599.21
Histidinyl-Phenylalanine	8296706.941	8642537.715	8807602.465	16473641.15	16877033.17	15471502.41	600529.4771	620520.7341	764141.2205	5251664.652	5540618.133	5524296.926
Erythroskyrin	2059156.109	1828022.024	1690067.195	1769990.923	1576531.183	1933491.027	12242414.8	12008514.96	11512119.76	8078179.263	8367799.326	8041060.612
N-gamma-Glutamylglutamine	8008760.911	6098933.073	6492110.423	28111086.21	26816912.19	26561114.63	6216997	5540487.281	4302272.016	9835273.375	9894423.432	11139303.93
Asparaginyl-Proline	6537196.515	6441674.498	6455371.752	6438950.504	6206127.015	6287123.516	1911728.237	1870960.219	1488428.05	2307715.979	2404377.905	2469807.61
Arginyl-Methionine	2432580.8	2868490.522	2400616.145	2203063.09	2271520.567	2469931.79	2152293.569	2352082.07	2329380.461	1871000.949	1908775.298	1763861.663
4-Hydroxybenzylamine	21816083.54	13496890.81	16541244.92	18950633.49	1108569.683	15122986.38	3234870.13	4340577.049	5948502.493	4195356.35	5406675.132	4415826.561
Serylleucine	1695728.644	1724250.947	1627658.981	1723311.241	1624432.36	1655220.716	562203.9571	206449.0199	434190.0576	504395.227	411069.9286	474921.9714
1,2-Bis(1-ethoxyethoxy)propane	4003541.829	3455084.654	3212196.231	3679780.678	5196613.728	3995177.592	0	1380722.727	495603.7571	381113.2401	590599.1232	925178.6476
Hydroxyprolyl-Proline	16768321.83	16156451.76	16883809.28	16485584.79	28967192.9	16359575.22	25099965.12	28287414.06	29178893.62	25401812.1	26688959.6	28348243.13
Threoninyl-Proline	1581677.357	1324283.764	1390907.852	1368847.801	878691.4547	870653.2698	8091720.182	7582370.658	7131347.532	5721987.62	5521391.213	5274310.54
Caffeine	20487150.22	21059390.94	19793901.74	18375950.53	17473915.21	19092680.36	142609627.4	147992160	127071956.4	120898787.4	128096321.9	120853388
z-Clausenamide	9016364.046	4657895.896	2485293.136	6176690.317	5144431.533	7981489.782	25460538.74	20418184.88	21726991.91	24461459.61	23619070.81	26244311.63
1-Pentanesulfenothioic acid	16323546.83	17016530.84	18524676.49	34796123.73	40368860.54	34533015.64	9272681.715	13195266.71	15151701.42	20704572.79	23533012.56	21682860.42
Tocopheronic acid	2412484.722	2948624.643	313267.078	2854037.558	2726542.919	4491319.53	10600211.05	7638504.846	9369985.562	9140914.294	8535778.24	9136262.077
Millefin	5006504.697	5140951.651	5570654.746	4496700.665	4735286.839	4624666.031	19792886.57	15362393.25	19316361.18	23188190.2	29810565.7	32724703.81
PI(16:1(9Z)/18:1(11Z))	0	0	0	0	0	0	70701064.76	104798640.8	120412340.8	144392008	154125467.7	162177050.4
Glutaminylalanine	4711024.763	3866548.593	4015361.883	6757165.902	3306281.085	4366565.182	2218377.392	2126855.537	2361765.878	133829.5394	2496221.397	1955909.115
Nor-psi-tropine	1166785.361	919353.388	1016975.91	1042150.581	1046231.819	806168.8776	451065.9636	0	169880.8297	0	0	0
Piperettine	2531664.289	3637442.451	3005175.93	2951699.84	3047098.129	2149833.638	456315.9333	631153.2947	4474009.019	1583687.804	4382244.271	5576296.161
Eremopetasin sulfoxide	967669.3621	585101.947	666095.6968	214710.7963	165763.1356	1020406.717	149963.2316	177577.4719	0	144316.4372	284281.6932	70458.35276
1-Methylguanine	18792106.43	19041219.37	19844529.06	4586050.258	4981754.057	6070661	12882631.23	13001268.12	12518451.78	6305976.654	6087130.504	5474462.064
5-Methyl-2-furancarboxaldehyde	178774071	187198865.3	166974210.3	93565427.55	95562959.46	77338996.77	383987899.9	322080731.4	439118346.8	334879138	463421731	372348987
3,5-Dimethyl-2-propylpyrazine	8188090.021	10860532.69	10944916.28	40931953.18	33018439.67	27737981.7	36074049.48	39125059.47	38314914.5	23345306.22	26278251.23	20022869.69
Mukonal	5111861.83	5962595.699	5674167.942	4295135.875	5275955.357	4074685.639	1017397.675	941434.118	1209801.427	545101.565	526870.0072	475413.4248
Serylthreonine	25526579.29	16226901.64	12464172.75	18827830.12	13595219.14	20702549.88	451972.9104	303956.4409	549159.1166	4666795.048	5594178.421	5642125.737
Soyasaponin II	0	0	0	0	0	0	79734685.9	86444720.97	88422053.89	54225706.9	48987457.61	26008912.38
L-Acetopine	3754672.281	4667833.014	3682616.946	5322174.278	5149735.612	5264843.306	2142018.072	2177002.73	3192242.073	3180560.042	2380794.535	4119325.676
PC(16:1(9Z)/20:2(11Z,14Z))	216721.1541	210573.8607	291667.5544	385345.9931	330001.8758	196471.4039	20791133.29	19059429.61	24184010.24	128049890.2	139065377.7	129625773.8
Valyl-Proline	1718125.381	1316910.816	1763983.776	1845837.996	1156682.187	1728000.197	6006273.691	6187586.918	5177975.611	5864984.992	5478347.11	5914498.352
Marmeline	2581646.677	2542250.617	2418438.897	1944217.33	1751811.08	1559647.357	444204.9443	482948.7233	257267.5213	750052.4863	396300.5066	824860.3797
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	632657.5613	892875.9674	120970.2364	252026.1844	136356.3118	723965.0757	2365152.553	2041515.69	2554718.829	1974983.505	1771139.384	2041865.389
Tryptophyl-Valine	245223.8902	271783.3112	271257.2225	186274.8933	122351.208	106361.3249	1109966.618	1356475.224	1317565.175	1107587.949	1323238.189	1148417.34
Tryptophyl-Glycine	3132854.923	3499008.81	3269426.358	3136915.707	3405226.455	3020983.229	493381.7507	620562.1027	970764.4708	1638734.32	1618544.334	1425212.619
Tetraacetylethylenediamine	3175735.823	4216503.851	2601656.917	9950823.358	9780337.636	9973014.804	88998788.77	87887388.37	91069397.8	87591194.66	88174329.56	86788980.57
(±)-2-Methylthiazolidine	43386178.64	45175847.06	52376071.25	32160633.87	36906921.29	34351767.29	13366345.2	9349454.268	12241816.18	11987946.97	13184286.71	10672934.18
2-Methoxyestradiol	11453000.25	12054999.85	12106446.07	13453390.16	13072090.15	12907651.29	2798420.148	3090938.529	2845095.904	3032564.425	1983807.959	2126205.808
3-Fucosyllactose	977681.1591	799852.0848	913081.0875	467298.4638	423160.2413	887572.4566	6864647.611	6351073.241	5619509.384	9599705.175	9887670.206	10582747.61
Prolyl-Gamma-glutamate	108657.7039	284680.4545	428700.1332	679734.5977	510156.3074	327178.0298	5181101.49	4231155.839	4735701.815	1144120.681	1639306.688	1870795.147
Hydroxyprolyl-Leucine	6688820.022	6110696.724	5048931.871	6104057.523	6288542.928	7238761.361	4794336.953	3481306.195	5766328.07	5675328.641	7202476.683	6691922.015
Lysyl-Glycine	13120819.63	13589685.37	13501963.94	22323374.42	22843108.58	22643421.6	12265279.7	12726921.02	12324704.41	8849114.824	8840093.239	8963269.868
Ophthalmic acid	17389652.91	19010595.27	19006597.46	17709086.74	16490491.02	17200450.8	10271767.81	10211045.78	13004585.88	14966096.51	16605029.35	13631064.17
Methionyl-Gamma-glutamate	3238351.382	2574925.211	2367577.449	4734485.915	5910777.905	4855779.642	635948.3971	477569.5976	313173.1516	277959.8118	500294.2181	0
5-Hydroxydopamine	18943573.17	19220765.92	20069329.22	17074872.69	18379588.39	29528597.27	2477971.214	3034314.43	2888246.053	2105789.601	1477767.624	1054355.975
5-Methoxyindoleacetate	424838.6908	459862.2418	580889.8461	586493.778	723012.0242	604533.1942	2388818.589	3247651.107	3200059.727	0	2286016.173	0
5'-Deoxyadenosine	3116368.753	2588353.674	1724359.134	5896616.561	4309403.005	8258436.636	51764723.5	51415431.65	54882490.99	34808044.07	34895564.62	62244282.83
L-Pipecolic acid	3530894.617	3213769.081	2622637.643	1795370.49	2409228.066	2052067.879	0	474326.4385	0	360698.7862	0	0
Prolylhydroxyproline	127707.2037	107731.8843	38625.27476	73642.95595	55055.541	114303.2211	56240.93906	0	77355.58266	75916.3876	10286.19671	90200.04814
N-Acetylarylamine	3366615.74	2736577.774	2909910.578	2526203.841	2922776.955	3039319.169	582922.9794	579980.3498	0	293825.0976	0	0
2-Methyl-1-propylamine	31877105.32	30403229.24	80614040.48	26585806.47	29169784.07	27565935.27	27725423.76	29278738.84	23054108.63	24056893.77	23949317.41	23822261.2
N-Nitroso-pyrrolidine	240355.9246	925859.9711	266820.2185	765947.5587	1232211.461	1006802.956	103703.8496	88733.63872	117803.7544	112493.2262	119982.2179	129121.435
Pyridoxal	51613.50575	0	0	216572.1651	0	0	711343.6023	577345.8215	782215.6028	644632.2256	682725.0221	770196.205
Cysteinyl-Cysteine	12241763.3	8301457.491	8813413.378	6714683.649	8353808.643	9177496.951	19406743.61	16255921.53	13435031.17	15003947.55	10996136.72	18210048.48
Isobornyl propionate	284948.3549	237989.9905	162345.8323	219758.0046	219850.4265	257745.713	219216.7291	172593.0669	199181.0473	224830.446	217152.0552	254056.2041
Valyl-Lysine	217437228.4	216652262.3	217321013.9	201946365.3	206708960.8	197739331.7	87897622.61	89533077.97	87179306.06	74476896.66	77225392.55	76606549.86
2-Propene-1-thiol	2136583.545	2242089.463	2055515.377	2229669.937	2267263.767	2291062.28	6860371.29	6349258.013	6623168.524	6939653.535	7451572.013	7147010.138
4-Hydroxynornantenine	4827602.057	3997616.114	3619570.513	8977745.097	7649498.506	9677909.977	21126775.39	21971103.16	22433038.37	36673676.73	37246493.42	38440233.64
2,5-Dimethylpyrazine	13911542.28	13790988.01	15929874.06	15989033.79	17937539.66	15147151.68	444964.9731	354703.8601	831384.0401	1128956.16	2793418.586	82746.34404
Pterolactam	11257192.74	11351884.88	10217418.74	12495503.72	11821616.36	11769422.27	3604102.396	4108139.814	4266601.521	6253927.793	8195687.461	9135775.712
N-Acetylneuraminic acid	1824117.858	1732211.84	1265923.781	5699202.644	5809311.188	6148076.147	36539911.02	37008017.96	38472446.51	41919762.98	41969874.37	41197850.01
2-O-Methylcytosine	1905885.791	1680524.225	1514742.218	709194.7408	1681479.953	1540615.193	2350730.346	2498178.979	2039069.165	2451073.858	1635754.058	3546842.762
Butyl -3-hydroxybutyrate glucoside	1005622.509	1124968.611	635187.6089	895111.9034	808284.8591	971745.5748	12106038.56	10788301.65	11109744.51	6325320.086	5446894.892	6315523.838
3-Isoxazolidinone	17637429.22	19094362.7	18660584.55	11914589.36	11827288.5	13149121.48	13907308.01	13304607.26	14473256.22	11901751.92	11917760.28	11705538.45
1,4'-Bipiperidine-1'-carboxylic acid	6435554.735	4692404.095	4664267.205	10246108.97	9388904.593	8165233.174	0	0	0	0	0	0
(8E)-Piperamide-C9:1	18120292.64	19018492.1	19290953.53	14633431.91	17556073.25	14207451.52	7992657.421	6902130.073	8312503.361	8982654.018	9433774.924	10325809.84
Phenylalanyl-Arginine	2400487.533	2469015.814	1818652.275	3144168.581	4234923.347	4812192.257	149835.6401	209118.7148	279392.1698	304781.7772	632490.6414	359816.9173
Dambonitol	807975747.8	768139558.2	825556698.2	697363109.8	720426087.9	722596411.9	248403622	237954279.7	209869914.7	231583145.3	234181990.6	223221639
(+)-Setoclavine	1850985.224	6037372.397	3893259.575	6350766.009	8701195.725	10229958.58	1167165.084	1271407.373	1796654.518	2938628.78	5985699.874	3122928.884
Pseudomonine	365478.0993	356137.8268	259887.7249	296535.9729	289093.9045	348203.5805	1204861.277	1167067.565	1206170.295	943008.0624	917807.7872	800283.611
Aldosine	1397969.882	1151551.652	1450980.078	938961.0773	722993.2525	1147055.733	12718287.36	10986080.57	13318574.04	10064163.82	11131249.98	13702942.14
Serylphenylalanine	32519892.29	33853428.53	31717702.46	36253661.45	38420364.67	30846903.73	2505383.159	1702237.102	2498506.576	27076055.69	28207150.12	30825588.45
3-Methyladenine	22972466.59	22368094.38	23097260.54	11033525.15	12420001.98	11416035.49	0	389017.8432	1081585.203	1269252.3	1561879.929	3633970.834
Piperolein B	4660081.142	4014773.761	4999540.445	1374998.814	1727024.88	1799914.158	666372.7174	1256345.8	1055788.24	617992.4958	1155867.227	1126948.735
2-Isopropyl-6-methoxypyrazine	3180039.158	2714764.929	2960642.111	5788070.847	3410683.587	6987031.128	15249114.99	15547097.82	17161366.23	9611128.316	10302763.76	10194853.99
Pentosidine	9325832.568	9178198.385	9551017.177	8891842.094	8789042.118	7558038.791	13973287.79	16411202.89	15838684.84	39388725.03	36339042.32	41235271.73
(±)-2,2'-Iminobispropanoic acid	18406405.74	16784169.01	17393793.84	55316961.14	60196215.52	54275181.12	1408430.583	1765193.767	1921960.551	1436779.676	498256.5134	1069456.798
3-Isopropyl-2-methoxy-5-methylpyrazine	4249008.406	3392001.692	7373561.617	5265557.089	4980528.586	5781553.427	1472716.558	3509808.729	2873960.657	1667389.745	1379812.91	1213287.375
Phenylalanyl-Gamma-glutamate	36284556.04	36027978.45	31275329.98	54502689.19	50178746.38	55468972.35	416244.0194	444938.8357	422682.5931	5875044.296	6049028.538	4993127.542
Fumitremorgin C	8148055.629	8568595.79	8412883.992	12967065.08	13595185.74	12704860.51	17142984.54	17928598.93	17934574.53	22781374.24	22344772.05	23472218.88
Tyrosyl-Lysine	686464.9074	246529.8163	446451.5097	3961627.208	4522598.533	4233602.187	0	0	0	2966995.105	3107456.252	2680362.662
Asparaginyl-Gamma-glutamate	299657647.7	255998973.3	294071443.8	303346133.4	313839954.6	286878246.2	5225582.704	4463581.056	3933860.908	8337030.954	9590014.734	7656051.632
Leucyl-Arginine	142968328.4	103463465.4	58992796.32	136123078	92338903.56	156531684.5	46785421.27	25249048.64	31850930.56	74748729.16	74143276.25	72096781.74
Hydroxyprolyl-Hydroxyproline	2691664.487	3003689.681	2981076.913	1340807.616	1113377.778	1529615.907	18874009.86	17296235.94	17295303.71	19557002.68	21409514.93	19090120.85
(R)-Marmin	2227373.002	2400987.005	2293949.845	2095680.452	1966887.102	2246758.578	7089373.911	7651839.623	7750216.316	7468715.861	7230685.513	7440315.228
(2R,3R)-3,4',7-Trihydroxyflavanone	1223289.914	857673.8223	0	607801.2199	837573.0881	343207.5689	1419205.212	920650.6859	1508224.853	1089748.716	1701710.672	1018530.764
Prolyl-Histidine	33996607.09	33407404.89	34308598.75	31882813.27	30728867.24	30838985.86	5775519.854	5052422.007	5971629.84	5778681.251	6612941.881	5709759.692
Serylmethionine	1999096.567	1527208.389	891709.1265	1610870.589	1570292.04	2105705.73	951199.0395	825151.9627	922755.6617	2800595.339	3629823.287	3608215.702
Methyl 3-carbazolecarboxylate	252246.1487	266936.4719	367827.2277	1419757.071	1249273.817	1080266.272	1218919.654	1097600.639	1015258.489	6535995.533	6267211.34	6344067.6
Pipernonaline	75523400.09	61751761.6	45902276.77	64006348.06	59261073.27	66145629.35	540068.1936	778307.7568	1483378.99	5699963.289	6840524.503	6520963.019
Glutamyllysine	4794671.367	5040861.468	5622429.671	4316220.329	5966373.566	4853971.181	610460.9464	684756.8366	1043319.077	1049106.072	1422146.041	1364209.058
PS(14:0/20:2(11Z,14Z))	151555.379	234328.3518	0	0	0	221545.3013	118372268.9	100503879.2	128519274	120010406.5	111352880.9	123278396.3
Indole-5,6-quinone	2589863.093	2103220.059	2264074.861	7255332.064	7189275.123	7136280.615	775180.1217	711641.4418	875609.1505	1161749.571	1253324.806	1184805.728
Leucyl-Lysine	77817041.92	73940334.6	77656101.48	79135263.71	204123693.5	273360332.9	26917584.79	26668203.27	31111684.38	128227923.4	112442506.6	112062321.3
Threoninyl-Tryptophan	7434119.947	7155705.929	5866252.578	6519971.708	6926816.748	6746791.372	0	0	207946.2379	897370.9383	832165.9372	1173315.931
Linatine	20740020.82	18945427.25	18402919.47	12623618.85	10577764.66	14582600.22	1630996.595	1584316.481	1050096.007	8320044.311	7042023.722	6472593.983
Hydroxyprolyl-Lysine	314732559.9	323555942.7	323433307.7	380425691.2	413451676.8	369643019.5	9540683.13	7896134.284	15232729.86	209463675.7	225491907.1	261748719
Acetoacetic acid	0	0	0	3186060.993	3194100.673	3143124.571	0	0	0	0	79998.47807	0
Threoninyl-Glycine	19679165.61	14427393.66	10943797.85	11460303.57	10517237.85	12980228.27	1025397.724	1031936.483	1387964.729	4501793.478	5286620.851	4412320.171
Biotin sulfone	7093496.87	4741312.238	3570992.279	4290319.711	3458812.95	5002199.658	2222206.888	1902402.456	3479313.824	4678425.248	5780041.595	3857466.613
Prostaglandin F1a	127583.8155	211546.8521	198118.9299	0	478018.6511	42545.32574	980360805.4	1065275034	1066025062	550406593.1	607948907.6	573289178.1
5-Nitro-2-propoxyaniline	3452536.204	3174100.815	3129799.273	2569523.603	3272511.086	3411373.878	1299058.997	1457881.852	1446673.379	1472857.209	1305720.644	1410572.299
Piplartine	8143493.971	9395203.268	5194173.926	11346744.53	5113256.71	14020980.8	11952621.55	14495944.21	19197364.64	21442955.6	17863198.55	11886460.02
Histidinyl-Isoleucine	204375086.9	195596125.7	194377562.7	339547646.3	356870149.6	325514038.4	44823134.15	32839791.88	43043211.2	93781679.51	114552765.1	130395083
Betulin	3588490.223	3407319.238	3222475.438	3485987.712	3675901.396	3046076.626	3718759.825	3014706.553	3821264.885	5915987.885	6722449.76	8011370.542
Ethylphosphate	75498815.89	71371950.1	71658354.87	33448351.7	35338062.26	31893199.2	6035652.159	6888899.721	6587726.647	4943658.806	5472486.483	5950733.69
Sulfolithocholic acid	1293157.612	1335266.016	749742.8353	1271001.24	1112276.076	1701391.798	552998.769	192912.1015	187679.1207	962830.7875	1456955.949	1223877.799
Salviaflaside methyl ester	0	0	0	4946412.769	5188158.749	5730747.858	45430472.55	42565333.21	37605967.63	13685754.55	13908444.51	13367156.12
Threoninyl-Methionine	37662387.79	38594953.72	40538482.27	34013757.87	29730592.95	24102985.51	3223570.801	3113017.743	3394843.531	3685006.894	3194160.01	2886434.681
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide	25062475.28	24808163.4	24732852.2	50933969.36	53565368.9	50724258.28	1151257.473	616988.617	1246022.328	3867417.397	3999099.98	3847007.883
Stearyl citrate	66507.01573	27329.80712	63084.60686	955737.64	1076208.563	1018810.134	327445.9668	203455.3151	249640.9778	506416.2122	558933.8852	632870.5299
Pterin	249394.471	316760.3781	729407.8455	5457387.15	5599385.212	4783569.247	10626444.88	11102462.22	10748496.46	10829184.23	11458171.27	11108025.61
2-Methoxy-3-(1-methylpropyl)pyrazine	16394737.25	16069443.39	15827830.95	14067297.97	16787201.64	14663208.37	4716837.868	4764190.759	7278983.309	5130198.628	5332178.578	4413954.491
1H-Indole-3-carboxaldehyde	14788008.17	13587594.63	12260572.48	16830806.82	19934273.87	18781083.66	1225132.826	501919.8637	1128283.37	2298588.081	1916149.532	2247445.753
Demethylated antipyrine	136366598	87321008.49	90368893.37	146605564.2	168837656	151417827	27890407.65	30589285.42	28308977.19	26233745.9	29368615.31	26377190.95
Gravelliferone	9338667.936	8775861.455	7761990.873	6814520.086	6630238.258	7489800.339	0	0	0	0	0	0
6-Methylquinoline	1963968.325	1744055.644	1674823.441	1992766.296	1641209.19	1592522.037	2412787.16	2726722.164	2565785.897	2462564.111	2550075.083	2551329.503
Arginyl-Valine	104659634.3	98822051.85	102015640.6	117004052.5	113555798.7	112742508.8	31378411.15	31853031.78	31802428.49	43013493.28	76188615.48	43820814
Threoninyl-Threonine	13831470.6	10798509.15	12313116.9	7290612.596	7608425.388	9097901.745	480010.4729	643644.8699	792692.9507	2549954.991	5747953.741	3533488.58
1-Isothiocyanato-8-(methylthio)octane	858865.5038	2024130.175	1629659.635	2219324.515	1893823.725	894623.5695	29796192.9	28794618.07	47697323.15	35528338.38	40689009.46	38679975.78
2-Phenylethanol	63453689.16	56307828.86	61751328.26	54533510.41	54986290.98	47525584.03	5461551.999	6396043.572	1138409.596	1450888.665	1604961.992	1477829.602
Lysyl-Tryptophan	1512378.302	1414881.619	1726940.061	1308955.271	1223129.327	1446840.147	593438.9511	571471.796	416669.4829	595008.9998	527325.8696	483050.487
4-O-Methylmelleolide	7394658.537	7445890.527	6843952.958	6980916.629	8781337.65	8464078.432	1807164.58	1554459.09	952491.4787	2082026.298	2412159.761	2249627.132
Syndesine	10155737.75	9257640.348	9680895.115	9977621.563	10438238.28	9554243.54	1840863.854	1156477.986	1858469.791	3511517.202	5327295.236	6230022.926
exo-Dehydrochalepin	20204179.66	20035945.18	19715372	11341611.58	17139683.12	11322313.43	1651135.944	2012943.499	2261418.932	2909970.124	3446190.23	2849680.767
Glutaminylproline	8143069.114	11822673.11	9852678.995	2100209.554	6502521.895	8984891.943	5291149.872	5937863.467	5346148.733	4946324.878	5601695.41	4894887.655
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol	0	3376295.011	742152.4456	0	947146.9008	1972040.038	1995834.768	2288971.614	1724127.21	3685517.603	7045093.017	3753345.328
Dihydroferuperine	25096277.71	27107800.42	26317669.96	33793930.11	38029187.99	28581380.77	8040453.106	8263109.007	8076953.872	15389756.99	20038073.6	19447349.35
Koenimbine	3135691.759	3037150.771	1482573.91	5266786.405	5325945.837	6850930.274	82580902.07	26840068.91	31945676.61	24917835.68	23722173.32	23631285.85
Endomorphin-2	1932463.589	2399644.074	2937646.155	2249333.468	2622616.826	1881059.279	539095.8866	662341.0309	577924.762	732114.5572	807068.2779	585097.2448
3-Caffeoyl-4-feruloylquinic acid	1679613.314	1505964.806	2660037.128	4011688.769	1846605.041	3442926.643	0	0	0	0	0	0
Prostaglandin E2	22218416.56	33911971.35	21357541.9	34521753.59	34825812.35	36528318.69	9735184.861	10024760.63	10249752.22	7001646.201	7521520.561	7136575.049
Phytolaccinic acid	0	34058.19586	0	87916.90485	64611.31085	59839.18525	3584703.774	2914783.554	0	9981758.288	10961096.62	10537287.18
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid	1469918.298	1110708.126	705453.1871	924736.4752	337790.7895	773277.8869	10823820	8906928.214	8841806.853	5920695.845	7314009.478	4947673.815
Riboflavin reduced	171164.3277	143073.4758	34873.54862	177491.6761	67425.19607	54020.4765	4374356.245	4400918.583	4480398.542	4613767.914	4377706.584	4489609.911
Lysyl-Threonine	6425596.284	6786294.285	7300440.238	44681036.07	45992620.91	64884772.92	5628016.917	6228635.855	6374346.749	11331484.03	10906558.3	10820795.15
Acetamidopropanal	6470392.93	2882078.759	5813513.413	4151109.667	4742354.145	4901302.06	3939830.991	3305174.307	3674635.957	3320751.306	3530791.212	1797433.727
(3xi,6xi)-Cyclo(alanylvalyl)	763823.8757	1061033.886	832085.0847	632534.9658	1182942.535	976501.8505	1402321.731	1494598.83	1688211.498	1092865.278	885257.3731	1251752.399
3-Indolebutyric acid	4067971.612	3589251.576	3454105.901	5047797.456	4146102.542	4298458.697	8657593.682	9852295.858	10658582.29	7680321.413	10841425	9366476.851
Hoduloside VII	0	0	0	125808.9585	0	0	4794282.606	4626587.536	4580601.896	1315491.135	900063.3983	1246893.679
Valyl-Tyrosine	644702.7902	601028.8063	523120.08	611850.9255	804738.2273	654968.5172	2445254.876	2179647.626	2710605.022	3380729.545	2223767.371	3225421.007
2,3-Diethylpyrazine	12826460.59	6971948.815	7546491.369	8837291.796	9105519.799	8305994.562	4402901.932	4600179.102	4547271.042	9559268.632	12323285.12	4833539.463
Leucyl-Methionine	433736230.6	431995674.4	454701792.1	669951190.6	634614588.8	657639993.7	7549897.237	7143359.861	7556115.114	1662059.273	7578721.145	6955446.377
Methylpyrazine	0	0	0	527791.4503	196717.6038	586044.8998	5646463.344	5337652.39	5654349.412	6677446.498	7257204.347	6880981.438
N'-Formylkynurenine	7421125.169	7180191.956	6700964.073	6106477.637	6652321.123	7047973.339	32013680.23	28058687.82	33372356.5	34962140.51	39726676.96	46695006.81
Humilixanthin	0	0	0	80952.87029	0	0	551182.049	495494.8537	625250.5584	482086.1932	821218.1369	589980.8063
17-Hydroxyprogesterone	19453140.33	19552129.18	20628015.05	30240381.31	29424778.08	27900869.34	5428439.72	2266970.894	2591211.942	4866270.592	3628021.818	4515838.907
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside	39720970.21	41256436.3	41734740.61	18566642.63	25367655	33301390.32	30735126.43	25354897.55	23449397.53	22155940.25	25944259.39	22484221.79
S-Allylcysteine	2610235.623	2567373.487	3191921.134	2788612.687	3085970.673	3143257.709	2350511.85	31679.89622	285163.4596	3534859.372	47821.82074	92013.44277
Janthitrem E	154136.096	134870.8708	19791.4914	14322.34698	0	102509.8296	619322208.8	552419096.5	413186740.5	206106273.2	321525271.8	298446166.2
CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))	29055028.88	25456163.47	27072282.92	27974684.08	25462136.79	26365969.31	151170.4184	97980.0229	35184.46399	108511.0856	169342.9215	153542.1229
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	0	0	62073.88869	0	0	53904.15462	4281216.622	4420848.538	2234996.295	5111563.42	4178048.762	6911223.914
N-(gamma-Glutamyl)ethanolamine	31992419.99	22349022.04	18880787.88	16947704.49	19058897.45	25861754.43	504438.9397	387917.7258	545670.6032	5164587.186	8974048.106	5378773.323
3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione	704980.0843	560306.7855	517996.196	546683.116	502033.2501	549954.8684	195262.6783	237957.3786	278359.7022	307908.7579	157505.2604	190317.6601
4-Aminohippuric acid	39777026.99	40151206.39	39474677.99	27081435.47	32038542.1	28890413.29	4439764.078	2715061.273	2669628.108	6801110.42	8023372.266	2206323.72
L-Iditol	2813519.105	2695246.173	2823923.999	2086949.252	2431561.76	2054775.912	775755.6326	914490.3302	1257944.31	1349044.066	1293304.059	1438080.279
Blepharin	869763.435	1597386.502	122580.385	2048948.039	1384024.077	2531899.716	18701833.13	19251656.11	20441896.68	30181174.55	29637482.65	30792958.25
L-Threo-3-Phenylserine	1585413.045	3250144.017	2377641.938	2854355.835	4562650.503	2864652.459	4515464.362	3803789.454	3912888.836	3635957.562	3915587.393	3230331.384
benzene-1,2,4-triol	0	0	0	0	0	0	67401.65734	64739.97113	164340.6428	260500.6526	190298.7791	356065.6387
Liensinine	22875255.97	22998473.28	22605308.21	34505874.12	34030339.43	18256401.78	10671261.3	10109896.66	10484776.51	9862000.264	10330519.24	9305351.503
Tyrosyl-Threonine	25262102.25	22735322.33	22759746.77	19860527.81	25121146.86	25018722.9	183265.1187	1299169.617	1582233.761	4348129.526	4462957.151	3881605.006
4-Hydroxy-2-butenoic acid gamma-lactone	459768.4357	29669.95494	0	0	40912.47223	121231.7231	547667.8396	313252.8928	398118.5598	2068708.503	2285648.053	2532581.237
Alanyl-Aspartic acid	17109506.59	17410868.47	17284222.32	15561757.63	19215178.58	20725499.63	9127727.032	8672473.535	9619506.266	26241895.24	25758114.81	25491678.09
PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	175975218.7	187387189.3	177739380.1	168262395.7	177960755.1	141649719.2	12008560.26	12860767.68	20599618.96	8835851.542	9099876.036	8706310.225
2-Oxoarginine	1056143.511	833570.368	539185.8256	4141192.282	3533209.652	2951160.224	0	0	0	386224.6966	0	0
Endomorphin-1	1086308.906	859904.0724	1078768.508	676064.9796	737388.662	899199.5073	19431468.18	28512719.44	19763036.58	18407495.13	18272279.71	18218484.81
N-Carboxyethyl-g-aminobutyric acid	1956877.359	5945147.82	7633244.989	6873254.546	7266693.589	6282791.89	0	1260276.456	2214669.695	680981.0302	1073071.409	0
Benzidine	1618009.815	1110191.556	1458590.889	4231805.914	4298675.785	2862506.631	24408609.43	26601841.35	25572501.8	34452026.85	43796601.67	37908237.42
4-Methylcatechol	4546697.977	4619603.124	5002740.929	4382948.561	4717864.818	4589589.438	4433383.225	4365771.791	4022161.611	3516682.648	3872033.027	3687033.019
Norepinephrine	237414171.2	52062875.85	173551628.9	149383568.1	197786693.1	175584943.9	60761786.67	33651538.93	32040242.4	43429540.62	40773074.15	40820421.75
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	rtmed	mzmed
Acrylamide	43.8511	72.04268382
Adenosine	88.6579	268.1030763
N6-Methyladenosine	56.1924	282.1187597
Phenylethylamine	82.6954	122.0958135
D-Serine	220.703	106.0495527
Cytarabine	143.9545	244.0921345
L-Histidine	221.49	156.0762778
L-Proline	288.684	116.0701007
5'-Methylthioadenosine	38.1833	298.0952675
4-Oxo-1-(3-pyridyl)-1-butanone	39.3381	164.0699712
L-Norleucine	163.891	132.1014034
L-Phenylalanine	141.601	166.0855478
Sarcosine	206.015	90.05453781
Phenylalanylphenylalanine	66.0087	313.1537738
3'-AMP	237.319	348.0696899
Caryophyllene alpha-oxide	164.589	221.1848014
L-Pyroglutamic acid	231.332	130.0494538
Thiamine	210.675	265.1104589
L-Carnitine	211.218	162.1116908
DL-Phenylalanine	157.295	166.0854365
Cytidine 2'-phosphate	250.4325	324.0580643
L-Alanine	139.281	90.05454208
N-methylvaline	197.296	132.1014546
Nicotinamide	30.52815	123.0547952
Norvaline	200.044	118.0858709
Betaine	181.264	118.0858654
2,6-diaminohexanoic acid	293.352	147.1122014
Alanyl-Leucine	141.479	203.1384026
FAPy-adenine	93.2777	154.0715493
Methionine sulfoxide	216.058	166.0525093
Guanosine monophosphate	253.424	364.0649531
Guanosine	182.456	284.099779
2-(1,2-Diamino-1-propenyl)phenol	26.8779	165.1016726
Pyrrolidine	181.264	72.08055959
Pyridoxine	43.6776	170.0802628
L-Tyrosine	181.94	182.0802859
Phosphorylcholine	275.8555	184.0725474
Sucrose	216.03	365.1049672
Hydroxyprolyl-Threonine	224.018	233.1126543
Glutaminyl-Gamma-glutamate	131.994	275.1384581
Pipecolic acid	186.894	130.0857678
Methylguanidine	157.295	74.07101295
3'-O-Methyl-D-adenosine	41.3555	282.1187419
Glycylleucine	158.76	189.1228928
Spinacine	222.407	168.0760647
Glycyl-L-Leucine	172.2185	189.1229353
8-Hydroxy-2'-deoxyguanosine	159.93	284.0983497
(±)-2-(2-Furanyl)pyrrolidine	132.1475	138.0907211
Benzaldehyde	156.695	107.0487765
Diethanolamine	358.119	74.09609559
N'-nitrosonornicotine	37.4012	178.096904
4-Guanidinobutanoic acid	212.707	146.0917104
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one	54.51165	311.0969926
Morpholine	55.7181	88.07534408
Glycyl-Valine	176.392	175.1070621
L-Tryptophan	159.275	205.0966057
N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine	76.8495	186.0865461
3-Amino-2-piperidone	111.262	115.086138
Meta-Tyrosine	153.3035	182.0802814
Glycerophosphocholine	227.996	258.1088014
Citrulline	229.325	176.1020838
N6-Isopentenyladenosine	30.4761	336.1658944
L-Glutamine	219.363	147.0758
Histamine	223.339	112.0864286
Dethiobiotin	175.989	215.1383739
Aspartyl-Glutamate	260.927	263.0861444
Leucyl-phenylalanine	132.3445	279.1690727
3-Acetamidobutanal	293.352	130.0857391
Prolyl-Threonine	197.327	217.1176507
Carbanilide	24.84945	213.1010899
Acetaminophen	43.1424	152.0700545
2-Azetidinecarboxylic acid	209.344	102.0545751
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide	177.938	205.1176338
Glycine	214.689	76.03901476
Glycerol 3-phosphate	250.058	173.0204776
Phenylalanyl-Methionine	100.37835	297.1260505
N,N-Dimethylguanosine	108.6525	312.1285067
Butyrylcarnitine	159.275	232.1532841
4-Amino-2-methylenebutanoic acid	123.87	116.0701162
N-Methylsalsolinol	199.561	194.1169348
2,3,4,5-Tetrahydropiperidine-2-carboxylate	302.773	128.0700959
H-LEU-VAL-OH	141.2755	231.1694288
18-carboxy dinor Leukotriene B4	202.723	321.1745819
3-Dehydroxycarnitine	222.81	146.117131
L,L-Cyclo(leucylprolyl)	21.6042	211.1430737
Imidazoleacetic acid	192.962	127.0498082
5-Hydroxylysine	288.009	163.1070975
Deoxyguanosine	115.933	268.1031528
Harmanine	26.822	199.0854761
D-Aspartic acid	233.999	134.0443559
Dimethylglycine	220.039	104.0702007
2-Methylfuran	59.2179	83.04876969
Nicotinic acid	132.849	124.03886
Pyrimidine	48.2882	81.04432996
Prolyl-Aspartate	243.2725	231.0966435
3-Indoleacrylic acid	159.271	188.0698195
Kojibiose	228.6625	325.1118519
N-Acetylhistamine	64.69955	154.0967816
Saccharopine	257.527	277.1379517
2-Methylbutyroylcarnitine	150.459	246.1687169
Isopropyl formate	30.8073	89.05928514
Leucyl-Gamma-glutamate	161.308	260.1591062
Oxidized-adrenal-ferredoxin	210.106	184.0939911
Cytosine	109.816	112.0500138
5-Acetyl-2,4-dimethyloxazole	35.29015	140.0701202
Prolyl-Tyrosine	169.936	279.13342
Asymmetric dimethylarginine	281.2365	203.1496015
1-(9Z-hexadecenoyl)-glycero-3-phosphate	133.33	409.2435372
L-Cystine	246.74	241.0306077
Ornithine	284.662	133.0965633
Conhydrinone	121.222	142.1220625
Carnosine	244.008	227.1134035
Leucyl-Hydroxyproline	98.0368	245.1484269
3-Methoxyanthranilate	47.92835	168.0649063
L-Valine	212.193	118.0858959
(E)-1-Cinnamoylpyrrolidine	176.278	202.1179252
Glycylproline	244.68	173.0915186
Ethyl 2-aminobenzoate	109.316	166.085585
1-Aminocyclopropanecarboxylic acid	231.332	102.0546493
Gyromitrin	202.0285	101.0705713
Allysine	54.84115	146.0805684
N-Alpha-acetyllysine	229.305	189.1228663
D-1-Piperideine-2-carboxylic acid	183.5795	128.0701304
Subaphylline	108.3	265.1532918
(4-Ethoxyphenyl)urea	54.2452	181.096371
4-Aminophenol	26.70315	110.0595808
1-(m-Methoxycinnamoyl)pyrrolidine	189.2685	232.1283682
L-Lysine	159.271	147.1121215
Albanin D	161.975	407.1869142
2,3-Diphenylpyrazine	77.4263	233.1019879
Choline	162.828	104.1065063
Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	33.1981	531.3237205
Gentiatibetine	27.2424	166.0856661
Creatinine	86.0095	114.0656379
9-Hydroxyphenanthrene	54.805	195.0757826
Tetramethylpyrazine	39.9066	137.1066646
L-Targinine	286.6875	189.133814
Prolyl-Asparagine	217.06	230.1130038
2-Phenylacetamide	181.94	136.0751634
L-prolyl-L-proline	224.012	213.1225561
N-a-Acetyl-L-arginine	219.303	217.1289377
Cysteinyl-Hydroxyproline	145.287	235.0740565
Isopropylpyrazine	20.6265	123.0912352
Leucyl-Isoleucine	107.982	245.1853262
Homocitrulline	230.649	190.1070212
2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine	26.822	180.1014868
Mukoline	112.713	228.0973471
Prolyl-Alanine	200.705	187.1069137
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol	136.354	226.1174569
S-Cysteinosuccinic acid	256.088	238.0370712
L-beta-aspartyl-L-glycine	245.193	191.0655284
Methyl 2-aminobenzoate	66.9313	152.0700479
D-Galactose	94.16715	163.059657
Phenylacetaldehyde	131.994	121.0643986
Histidinyl-Serine	212.8125	243.1077196
Leucyl-Aspartate	216.006	247.1276856
N1-Acetylspermidine	307.21	188.1751636
PS(22:2(13Z,16Z)/20:2(11Z,14Z))	20.1979	868.5946162
4-Aminobutyraldehyde	37.1622	88.07525243
3-Aminobutanoic acid	80.9459	104.0701742
Leucyl-Serine	161.444	219.1331404
Ethyl propyl disulfide	127.8975	137.0453932
5'-Deoxy-5'-(methylsulfinyl)adenosine	214.083	314.083689
Triethylamine	24.5087	102.127337
Phenylalanyl-Glycine	142.158	223.107298
N2-Methylguanine	102.718	166.0717718
Dopamine	26.8401	154.085784
Pentanenitrile	125.3125	84.08046271
Triphasiol	286.0065	349.1593868
2-Methylbutylamine	114.6035	88.111634
Morphine	244.1035	286.1499041
Histidinal	51.44135	140.0811492
Aminoadipic acid	219.357	162.0756213
Decarbamoylsaxitoxin	267.853	257.1419209
Methionyl-Methionine	113.251	281.0976874
Phenylalanyl-Asparagine	163.9455	280.1284525
Tyrosyl-Leucine	127.179	295.1639741
Laccarin	144.93	195.1118567
Argininic acid	215.332	176.1021083
Prolyl-Glutamine	215.5765	244.1283594
PA(21:0/12:0)	18.4152	663.4884021
Piperanine	173.015	288.1473601
Phenylalanyl-Alanine	102.397	237.1245575
(+)-2,3-Dihydro-3-methyl-1H-pyrrole	293.353	84.08043015
3-Hydroxyadipic acid 3,6-lactone	94.16715	145.0490907
Methylimidazole acetaldehyde	97.42925	125.0704023
Valyl-Methionine	121.99	249.1251526
Schinifoline	114.5985	242.1123972
L-Kynurenine	136.062	209.0914176
Adenine	76.7612	136.061347
PA(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	20.9562	777.5371907
gamma-Glutamylisoleucine	117.25	261.1438409
Isoleucyl-Threonine	147.011	233.1489818
Histidinyl-Glutamine	217.039	284.134344
Histidinyl-Lysine	263.8745	284.1703098
Valyl-Valine	130.5625	217.1541305
3-Ethyl-2-methoxypyrazine	173.723	139.0859888
Tyrosyl-Valine	108.013	281.1469594
Porphobilinogen	177.803	227.102092
Prolyl-Lysine	272.471	244.1644054
Leucyl-Asparagine	179.111	246.1442899
gamma-Glutamylleucine	213.3285	261.1440171
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol	125.273	273.1227807
Lactaroviolin	56.45985	211.1182837
Histidinyl-Proline	180.463	253.1287841
Trigonelline	173.271	138.0544632
2,3-Diethyl-5-methylpyrazine	57.482	151.1224225
8-Hydroxyadenine	115.7065	152.0630159
cis-2,3-Dimethylthiirane	119.244	89.04154125
Piperidine	33.1173	86.0960622
2-(Ethylamino)-4,5-dihydroxybenzamide	212.024	197.0889998
Monoglyceride citrate	54.2452	267.0759911
Prostaglandin J2	229.9725	317.2169566
Distichonic acid A	52.949	295.1096147
2-Piperidone	28.43945	100.0751965
1-Hexanethiol	181.2655	119.0891193
Norcotinine	29.5558	163.0858128
2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine	114.52	184.0820645
Isoleucyl-Phenylalanine	98.148	279.1688106
1,3,5-Trihydroxybenzene	103.3535	127.0383777
2,4-Diamino-6-nitrotoluene	200.705	168.0648218
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	81.0585	257.1124197
Imidazolone	301.508	85.03918789
2-Pyrrolidineacetic acid	153.62	130.0856334
Pyridoxamine	294.069	169.09399
Threoninyl-Glutamine	198.041	248.1231236
Harman	82.893	183.0945491
beta-D-Glucosamine	236.665	180.0860913
L-Methionine	171.95	150.0577184
3,4-Dihydro-2H-1-benzopyran-2-one	157.295	149.059133
Dihydrouracil	29.5428	115.0497992
Serinyl-Gamma-glutamate	213.433	234.107957
L-Threonine	262.296	120.0649584
Muramic acid	262.857	252.1071581
Denudatine	103.68	344.2528737
(E)-2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone	221.351	409.1960995
Maltol	269.183	127.038483
Vinylacetylglycine	69.47225	144.0650565
Lysyl-Leucine	253.217	260.1956239
(-)-Fumigaclavine B	259.4	257.1596354
Xanthurenic acid	70.5921	206.0448614
Tyrosyl-Histidine	163.7495	319.1366659
Melamine	269.681	205.1177325
4'-Hydroxyflurbiprofen	78.8632	261.0856916
Serylaspartic acid	242.027	221.0763203
Isowillardiine	209.9965	200.0677
Nornicotine	26.21075	149.1068075
11-Dehydro-thromboxane B2	298.757	369.223474
3-Aminopropionaldehyde	43.3113	74.0597895
1-Isothiocyanato-3-phenylpropane	263.5615	178.0705393
Ethenyl acetate	220.024	87.04372889
Tryptophyl-Methionine	112.541	336.1365465
Aminoacetone	210.0545	74.05977899
N-Acetylputrescine	195.162	131.117361
Lysyl-Phenylalanine	212.6765	294.1803811
PS(20:2(11Z,14Z)/18:2(9Z,12Z))	41.5958	812.5244694
Ethoxyquin	117.234	338.2045375
beta-Alanyl-L-lysine	252.679	218.1495328
L-Furosine	258.064	255.1334562
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	37.7699	747.4923126
5-Methylcytosine	74.7155	126.0655516
Lysyl-Histidine	297.082	284.1703901
Isofebrifugine	152.677	302.1483145
Glaucarubin	214.08	479.2217187
Metenamine	175.4665	141.1130209
Isoleucyl-Tryptophan	110.602	318.1804017
O-Desmethylcarvedilol	198.2855	393.1785722
Graveoline	227.34	280.0907305
Eicosadienoic acid	19.7538	309.277335
2-Isopropyl-3,5-dimethoxy-6-methylpyrazine	23.94555	197.1275475
3-Pyridinebutanoic acid	222.682	166.0856879
5-Aminopentanamide	192.663	117.1017015
Tyrosyl-Phenylalanine	114.574	329.1481205
6-Hydroxy-1H-indole-3-acetamide	25.9432	191.0805515
1-nitrosonaphthalene	29.9717	158.0592543
Cortexolone	229.305	347.2273883
trans-S-(1-Propenyl)-L-cysteine	139.901	162.057673
2-Methoxy-3-methyl-9H-carbazole	68.0087	212.1020031
D-Arginine	289.352	175.1181357
Proline betaine	212.122	158.117182
L-Theanine	229.988	175.1070127
2-Ethyl-6-methylpyrazine	138.489	123.0912836
6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one	284.621	247.1392164
Methoxypyrazine	192.4545	111.0548046
Tyrosyl-Gamma-glutamate	181.264	310.1379863
Deterrol	47.0876	213.1225169
Ribothymidine	259.555	259.0919529
Lysyl-Aspartate	197.694	262.1331352
1b-Furanoeudesm-4(15)-en-1-ol acetate	103.354	275.1700854
Phenylalanyl-Tryptophan	99.08135	352.1643405
2,6-Dimethylpyrazine	147.661	109.0756385
Prolyl-Arginine	235.9915	272.1705322
2-Pyrrolidinone	220.036	86.05969354
Threoninyl-Aspartate	239.8655	235.0914895
Erinacine D	69.54905	479.3009142
Riboflavin	129.909	377.1438374
Valyl-Tryptophan	119.893	304.164586
Haematopodin	39.94635	245.0909249
Simulenoline	113.202	326.170377
desmethylclomipramine	218.9805	301.1498473
2,5-Dihydro-2,4,5-trimethyloxazole	70.9152	114.090902
L-beta-aspartyl-L-threonine	263.655	235.091446
Tyrosyl-Tryptophan	125.944	368.1595957
2,5-Dimethyloxazole	26.2614	98.05964526
2,4,6-Octatriynoic acid	171.901	133.0312087
Hydrocotarnine	109.426	222.1116114
Squamolone	103.246	129.0653449
Dehydroisochalciporone	43.0109	242.1489323
1-Pyrroline	111.213	70.06489612
Saxitoxin	136.226	300.1426428
1-Octen-3-yl primeveroside	107.286	440.247762
5-Methylcytidine	199.373	258.107488
2-Methyl-1-methylthio-2-butene	187.777	117.0735467
Acetylcholine	214.152	182.0919425
Glutaminyllysine	260.04	275.1701051
Methyl acrylate	80.7788	87.04358726
Trimethylpyrazine	124.641	123.0912951
2-Hydroxycinnamic acid	181.9465	165.0540747
3-Hydroxykynurenamine	147.905	181.0964008
Prolylphenylalanine	25.5794	245.1277124
Thiomorpholine 3-carboxylate	117.915	148.0421643
2-(4-Methyl-1,3-pentadienyl)anthraquinone	260.761	289.1209854
L-alpha-Amino-1H-pyrrole-1-hexanoic acid	41.8544	197.1276165
Biliverdin	201.36	583.2481394
Theophylline	73.5856	181.0714722
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	260.0525	309.1648332
(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)	67.8465	90.05449805
Prolyl-Methionine	154.696	247.1065962
Piceatannol 4'-galloylglucoside	127.879	559.1479019
Notoginsenoside Fe	84.1224	917.5675512
(2S,2'S)-Pyrosaccharopine	242.6505	259.1394759
(+)-threo-2-Amino-3,4-dihydroxybutanoic acid	108.418	136.0613519
3-Butylidene-1(3H)-isobenzofuranone	96.6554	189.0863111
Tromethamine	9.51533	122.0807232
Catechin	76.3903	291.0874166
Ethiin	232.668	166.0525386
PS(22:0/20:2(11Z,14Z))	21.7161	872.6262099
Glycyl-glycine	220.699	133.0602127
Bergenin	104.371	329.0835844
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid	288.6825	409.1621761
(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid	180.454	148.0963785
Aspartyl-Arginine	253.6185	290.1449404
(S,E)-Zearalenone	262.342	319.1603093
PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))	35.3567	806.5410701
L-beta-aspartyl-L-aspartic acid	262.642	249.070724
Neuraminic acid	263.5265	268.1017726
Anonaine	170.636	266.1237049
Malvidin 3-(6-acetylglucoside)	17.0523	536.1636811
Glycyl-Histidine	212.122	213.0973133
(E,E)-Trichostachine	90.6344	272.1231951
Histidinyl-Phenylalanine	169.262	303.1436752
Erythroskyrin	261.81	456.2311737
N-gamma-Glutamylglutamine	240.873	276.1176132
Asparaginyl-Proline	132.822	230.1129392
Arginyl-Methionine	251.5435	306.1653377
4-Hydroxybenzylamine	26.822	124.075301
Serylleucine	283.6185	219.1331087
1,2-Bis(1-ethoxyethoxy)propane	18.9849	221.173868
Hydroxyprolyl-Proline	102.047	229.1170933
Threoninyl-Proline	128.094	217.1177001
Caffeine	132.55	195.0871658
z-Clausenamide	246.718	280.138551
1-Pentanesulfenothioic acid	105.6355	137.0453482
Tocopheronic acid	310.2175	295.1571166
Millefin	181.4265	351.1749438
PI(16:1(9Z)/18:1(11Z))	42.4465	835.5465756
Glutaminylalanine	209.092	218.1127285
Nor-psi-tropine	24.9255	128.1064947
Piperettine	170.6045	312.1519976
Eremopetasin sulfoxide	98.1335	351.165154
1-Methylguanine	75.0525	166.0717182
5-Methyl-2-furancarboxaldehyde	59.4991	111.0435793
3,5-Dimethyl-2-propylpyrazine	84.0536	151.1223591
Mukonal	169.911	212.0733214
Serylthreonine	200.997	207.0969127
Soyasaponin II	71.4354	913.5373666
L-Acetopine	285.336	233.1233061
PC(16:1(9Z)/20:2(11Z,14Z))	20.9261	784.5758258
Valyl-Proline	229.332	215.1325914
Marmeline	124.68	352.1830177
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	311.593	342.1387321
Tryptophyl-Valine	279.9765	304.1581368
Tryptophyl-Glycine	165.9465	262.1179653
Tetraacetylethylenediamine	245.329	229.1172774
(±)-2-Methylthiazolidine	171.901	104.052371
2-Methoxyestradiol	239.92	303.2021889
3-Fucosyllactose	54.24405	489.1812477
Prolyl-Gamma-glutamate	179.856	244.128273
Hydroxyprolyl-Leucine	182.523	245.1483989
Lysyl-Glycine	262.75	204.1333196
Ophthalmic acid	231.988	290.1331521
Methionyl-Gamma-glutamate	179.145	278.1163505
5-Hydroxydopamine	106.009	170.0803566
5-Methoxyindoleacetate	26.8682	206.0803727
5'-Deoxyadenosine	231.331	252.1071737
L-Pipecolic acid	31.65855	130.0858788
Prolylhydroxyproline	8.111595	229.1168935
N-Acetylarylamine	27.3522	136.0750984
2-Methyl-1-propylamine	112.591	74.09615362
N-Nitroso-pyrrolidine	13.2211	101.0704625
Pyridoxal	170.558	168.0648555
Cysteinyl-Cysteine	204.69	225.0337128
Isobornyl propionate	5.9813	144.1013018
Valyl-Lysine	223.3425	246.180303
2-Propene-1-thiol	216.058	75.02596085
4-Hydroxynornantenine	231.244	342.1389434
2,5-Dimethylpyrazine	20.9716	109.0756164
Pterolactam	149.7	116.0701047
N-Acetylneuraminic acid	241.415	310.1122364
2-O-Methylcytosine	105.946	126.0655982
Butyl -3-hydroxybutyrate glucoside	33.5036	323.168835
3-Isoxazolidinone	233.995	88.03895364
1,4'-Bipiperidine-1'-carboxylic acid	149.615	213.1589372
(8E)-Piperamide-C9:1	175.178	330.2006772
Phenylalanyl-Arginine	189.919	322.1859327
Dambonitol	117.2525	209.1022947
(+)-Setoclavine	189.948	255.1444362
Pseudomonine	285.2645	331.1461434
Aldosine	175.478	255.1332404
Serylphenylalanine	153.2495	253.1171129
3-Methyladenine	50.6656	150.0769324
Piperolein B	115.266	344.2163302
2-Isopropyl-6-methoxypyrazine	156.708	153.101653
Pentosidine	156.146	379.2066496
(±)-2,2'-Iminobispropanoic acid	30.7388	162.0768822
3-Isopropyl-2-methoxy-5-methylpyrazine	133.427	167.1170814
Phenylalanyl-Gamma-glutamate	160.6245	294.14399
Fumitremorgin C	260.3305	380.2011866
Tyrosyl-Lysine	231.32	310.1752751
Asparaginyl-Gamma-glutamate	29.4662	261.1224756
Leucyl-Arginine	201.3945	288.2017002
Hydroxyprolyl-Hydroxyproline	127.879	245.1121791
(R)-Marmin	279.1645	333.1643228
(2R,3R)-3,4',7-Trihydroxyflavanone	102.02	273.0739256
Prolyl-Histidine	219.5995	253.1288575
Serylmethionine	201.8145	237.0899056
Methyl 3-carbazolecarboxylate	218.0305	226.0788973
Pipernonaline	131.9195	342.2015707
Glutamyllysine	174.795	276.1546869
PS(14:0/20:2(11Z,14Z))	20.71195	760.5012363
Indole-5,6-quinone	216.668	148.0421983
Leucyl-Lysine	213.362	260.1956431
Threoninyl-Tryptophan	145.972	306.1435341
Linatine	218.4945	260.1229725
Hydroxyprolyl-Lysine	176.612	260.1591419
Acetoacetic acid	94.08475	85.0280023
Threoninyl-Glycine	196.3545	177.086459
Biotin sulfone	194.673	277.0840185
Prostaglandin F1a	56.8494	379.2464615
5-Nitro-2-propoxyaniline	249.351	197.0911715
Piplartine	308.9035	318.1280709
Histidinyl-Isoleucine	180.893	269.1599826
Betulin	177.4845	435.2262434
Ethylphosphate	88.17805	183.0758528
Sulfolithocholic acid	202.127	457.2650553
Salviaflaside methyl ester	127.879	537.1672852
Threoninyl-Methionine	156.084	251.1048987
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide	120.584	336.1902872
Stearyl citrate	302.878	445.3118374
Pterin	105.229	164.0558906
2-Methoxy-3-(1-methylpropyl)pyrazine	66.9313	167.1170588
1H-Indole-3-carboxaldehyde	30.7388	146.0593126
Demethylated antipyrine	27.678	175.0859729
Gravelliferone	44.9249	299.1697703
6-Methylquinoline	111.892	144.0801017
Arginyl-Valine	213.2	274.1865503
Threoninyl-Threonine	192.663	221.1126189
1-Isothiocyanato-8-(methylthio)octane	149.1105	218.1011765
2-Phenylethanol	81.8758	105.0693594
Lysyl-Tryptophan	302.168	333.1889431
4-O-Methylmelleolide	222.6745	415.2174706
Syndesine	181.134	306.1648349
exo-Dehydrochalepin	104.086	297.1521659
Glutaminylproline	243.332	244.1284576
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol	193.619	471.2542698
Dihydroferuperine	176.5175	290.1701254
Koenimbine	222.793	294.1532611
Endomorphin-2	223.342	572.2923279
3-Caffeoyl-4-feruloylquinic acid	187.124	531.1589183
Prostaglandin E2	234.677	375.2230979
Phytolaccinic acid	23.01105	517.3499013
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid	30.4633	217.1033893
Riboflavin reduced	298.129	379.1694762
Lysyl-Threonine	252.613	248.1591872
Acetamidopropanal	85.0975	116.0700676
(3xi,6xi)-Cyclo(alanylvalyl)	222.675	171.1121034
3-Indolebutyric acid	218.3375	204.0973755
Hoduloside VII	118.9705	931.5461847
Valyl-Tyrosine	246.6935	281.14159
2,3-Diethylpyrazine	113.922	137.1067479
Leucyl-Methionine	109.913	263.1410489
Methylpyrazine	158.616	95.05997554
N'-Formylkynurenine	179.7165	237.0864407
Humilixanthin	193.335	327.1152258
17-Hydroxyprogesterone	217.723	331.2329351
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside	133.4615	239.1129677
S-Allylcysteine	21.2948	162.0597697
Janthitrem E	23.6621	604.3506695
CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))	212.853	1030.548782
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	135.2895	862.5507104
N-(gamma-Glutamyl)ethanolamine	194.149	191.1019964
3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione	195.678	152.0561775
4-Aminohippuric acid	68.0087	213.1056159
L-Iditol	114.5865	183.0870764
Blepharin	228.65	328.1044325
L-Threo-3-Phenylserine	103.444	182.0802797
benzene-1,2,4-triol	183.5815	127.0385253
Liensinine	244.589	611.3033747
Tyrosyl-Threonine	159.95	283.1280845
4-Hydroxy-2-butenoic acid gamma-lactone	177.978	85.02799236
Alanyl-Aspartic acid	242.0515	205.0809651
PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	161.277	689.4338887
2-Oxoarginine	25.23415	174.0783091
Endomorphin-1	253.2815	611.2837001
N-Carboxyethyl-g-aminobutyric acid	28.52845	176.0909357
Benzidine	84.2222	185.10631
4-Methylcatechol	285.297	115.0861194
Norepinephrine	66.5567	170.0802745
METABOLITES_END
#END