#METABOLOMICS WORKBENCH sjena_Purdue_20231116_080800 DATATRACK_ID:4467 STUDY_ID:ST002978 ANALYSIS_ID:AN004891 PROJECT_ID:PR001854
VERSION             	1
CREATED_ON             	November 16, 2023, 10:43 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolite Profiling Of Vaginal Microbes In Suspension And Biofilm Cultures:
PR:PROJECT_TITLE                 	Potential Target Against Bacterial Vaginosis
PR:PROJECT_SUMMARY               	This study facilitates better understanding of the differential metabolism and
PR:PROJECT_SUMMARY               	growth requirements of vaginal microbes in suspension and biofilm growth
PR:PROJECT_SUMMARY               	conditions. Comparison of metabolite profiles between Bacterial Vaginosis (BV)
PR:PROJECT_SUMMARY               	associated, protective and intermediate microbes for identifying target
PR:PROJECT_SUMMARY               	metabolite to manipulate growth and biofilm formation of Lactobacillus crispatus
PR:PROJECT_SUMMARY               	and Gardnerella vaginalis as a therapeutic approach against BV.
PR:INSTITUTE                     	Purdue University
PR:DEPARTMENT                    	BME
PR:LABORATORY                    	Brubaker Lab
PR:LAST_NAME                     	Jena
PR:FIRST_NAME                    	Smrutiti
PR:ADDRESS                       	S. martin Jischke drive
PR:EMAIL                         	sjena@purdue.edu
PR:PHONE                         	5715659650
#STUDY
ST:STUDY_TITLE                   	Metabolite Profiling Of Vaginal Microbes In Suspension And Biofilm Cultures:
ST:STUDY_TITLE                   	Potential Target Against Bacterial Vaginosis
ST:STUDY_SUMMARY                 	This study facilitates better understanding of the differential metabolism and
ST:STUDY_SUMMARY                 	growth requirements of vaginal microbes in suspension and biofilm growth
ST:STUDY_SUMMARY                 	conditions. Comparison of metabolite profiles between Bacterial Vaginosis (BV)
ST:STUDY_SUMMARY                 	associated, protective and intermediate microbes for identifying target
ST:STUDY_SUMMARY                 	metabolite to manipulate growth and biofilm formation of Lactobacillus crispatus
ST:STUDY_SUMMARY                 	and Gardnerella vaginalis as a therapeutic approach against BV.
ST:INSTITUTE                     	Purdue University
ST:DEPARTMENT                    	BME
ST:LABORATORY                    	Brubaker Lab
ST:LAST_NAME                     	Jena
ST:FIRST_NAME                    	Smrutiti
ST:ADDRESS                       	S. martin Jischke drive
ST:EMAIL                         	sjena@purdue.edu
ST:PHONE                         	5715659650
ST:NUM_GROUPS                    	10
ST:TOTAL_SUBJECTS                	3
ST:NUM_MALES                     	NA
ST:NUM_FEMALES                   	NA
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Lactobacillus crispatus; Gardenerella vaginalis; Lactobacillus iners
SU:TAXONOMY_ID                   	ATCC33820; ATCC55195; ATCC14018
SU:GENOTYPE_STRAIN               	DSM 20584; ATCC55195; ATCC14018
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	Lactobacillus crispatus, Lactobacillus iners, Gardnerella vaginalis
#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           	-	L_cris_S	Sample type:L. crispatus suspension	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	L_cris_S.1	Sample type:L. crispatus suspension	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	L_cris_S.2	Sample type:L. crispatus suspension	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	L_cris_B	Sample type:L. crispatus biofilm	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	L_cris_B.1	Sample type:L. crispatus biofilm	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	L_cris_B.2	Sample type:L. crispatus biofilm	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	L_iners_S	Sample type:L. iners suspension	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	L_iners_S.1	Sample type:L. iners suspension	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	L_iners_S.2	Sample type:L. iners suspension	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	G_vag_S	Sample type:G. vaginalis suspension	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	G_vag_S.1	Sample type:G. vaginalis suspension	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	G_vag_S.2	Sample type:G. vaginalis suspension	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	G_vag_B1	Sample type:G. vaginalis biofilm #1	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	G_vag_B1.1	Sample type:G. vaginalis biofilm #1	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	G_vag_B1.2	Sample type:G. vaginalis biofilm #1	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	G_vag_B2	Sample type:G. vaginalis biofilm #2	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	G_vag_B2.1	Sample type:G. vaginalis biofilm #2	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	G_vag_B2.2	Sample type:G. vaginalis biofilm #2	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	BL_MRS	Sample type:Blank media, MRS	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	BL_MRS.1	Sample type:Blank media, MRS	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	BL_MRS.2	Sample type:Blank media, MRS	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	BL_NYC	Sample type:Blank media, NYC	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	BL_NYC.1	Sample type:Blank media, NYC	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	BL_NYC.2	Sample type:Blank media, NYC	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	BL_BHI	Sample type:Blank media, BHI	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	BL_BHI.1	Sample type:Blank media, BHI	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	BL_BHI.2	Sample type:Blank media, BHI	Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	Bl_sBHI	Sample type:Blank media, sBHI	Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	Bl_sBHI.1	Sample type:Blank media, sBHI	Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	Bl_sBHI.2	Sample type:Blank media, sBHI	Replicate=3
#COLLECTION
CO:COLLECTION_SUMMARY            	L. crispatus cultures were grown in MRS media at 37oC, 5% CO2 for 24 and 48
CO:COLLECTION_SUMMARY            	hours to grow suspension and biofilm respectively. L. iners suspension cultures
CO:COLLECTION_SUMMARY            	were grown in BHI at 37oC, 5% CO2 for 24hrs. G. vaginalis suspension and biofilm
CO:COLLECTION_SUMMARY            	type I was grown in NYCIII at 37oC, 5% CO2 for 24 and 48 hours respectively. The
CO:COLLECTION_SUMMARY            	type II biofilm of G. vaginalis was grown in supplemented BHI in the same
CO:COLLECTION_SUMMARY            	incubation conditions as biofilm type I. All suspension cultures were grown on
CO:COLLECTION_SUMMARY            	shakers and biofilms were grown as static cultures. The cultures were then
CO:COLLECTION_SUMMARY            	centrifuged at 4000g for 8mins and filtered using 0.2micron syringe filter. The
CO:COLLECTION_SUMMARY            	sample were then shipped with dry ice in triplicates to the metabolomics
CO:COLLECTION_SUMMARY            	facility.
CO:COLLECTION_PROTOCOL_FILENAME  	Smrutiti_Vag Sample collection Protocol
CO:SAMPLE_TYPE                   	Bacterial cells
CO:COLLECTION_METHOD             	Centrifugation
CO:COLLECTION_LOCATION           	Purdue University
CO:VOLUMEORAMOUNT_COLLECTED      	5ml
CO:STORAGE_CONDITIONS            	-80?
CO:COLLECTION_VIALS              	tubes
CO:STORAGE_VIALS                 	Cryovials
CO:COLLECTION_TUBE_TEMP          	4
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were prepared using the automated MicroLab STAR® system from Hamilton
SP:SAMPLEPREP_SUMMARY            	Company. Several recovery standards were added prior to the first step in the
SP:SAMPLEPREP_SUMMARY            	extraction process for QC purposes. To remove protein, dissociate small
SP:SAMPLEPREP_SUMMARY            	molecules bound to protein or trapped in the precipitated protein matrix, and to
SP:SAMPLEPREP_SUMMARY            	recover chemically diverse metabolites, proteins were precipitated with methanol
SP:SAMPLEPREP_SUMMARY            	under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by
SP:SAMPLEPREP_SUMMARY            	centrifugation. The resulting extract was divided into five fractions: two for
SP:SAMPLEPREP_SUMMARY            	analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion
SP:SAMPLEPREP_SUMMARY            	mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with
SP:SAMPLEPREP_SUMMARY            	negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion
SP:SAMPLEPREP_SUMMARY            	mode ESI, and one sample was reserved for backup. Samples were placed briefly on
SP:SAMPLEPREP_SUMMARY            	a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were
SP:SAMPLEPREP_SUMMARY            	stored overnight under nitrogen before preparation for analysis.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Smrutiti_Vag Sample collection protocol, Smrutiti_Vag Metabolomics Protocol
SP:PROCESSING_STORAGE_CONDITIONS 	-80?
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Low pH polar (LC/MS Pos early)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (100 x 2mm, 1.7um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5
CH:SOLVENT_B                     	100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5
CH:FLOW_GRADIENT                 	Linear gradient from 5% B to 80% B over 3.35 minutes
CH:FLOW_RATE                     	0.35 mL/min
CH:COLUMN_TEMPERATURE            	40-50
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Metabolon (LC/MS Pos early)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/l
MS_METABOLITE_DATA_START
Metabolite_name	L_cris_S	L_cris_S.1	L_cris_S.2	L_cris_B	L_cris_B.1	L_cris_B.2	L_iners_S	L_iners_S.1	L_iners_S.2	G_vag_S	G_vag_S.1	G_vag_S.2	G_vag_B1	G_vag_B1.1	G_vag_B1.2	G_vag_B2	G_vag_B2.1	G_vag_B2.2	BL_MRS	BL_MRS.1	BL_MRS.2	BL_NYC	BL_NYC.1	BL_NYC.2	BL_BHI	BL_BHI.1	BL_BHI.2	Bl_sBHI	Bl_sBHI.1	Bl_sBHI.2
(N(1) + N(8))-acetylspermidine	4.719127497	4.558680591	4.67039069	15.31767783	15.54870981	15.20033235	1.484431987	1.374380665	1.364337493	0.541591569	0.521874895	0.535175588	0.540568796	0.562349601	0.503565347	0.35112406	0.382889306	0.361953409	0.911772881	0.977875638	0.918691791	0.459319225	0.486855659	0.481954602	1.184891324	1.196666129	1.214659347	1.022124362	1.108691868	1.109171194
1-methyl-4-imidazoleacetate	0.12898989	0.339661568	0.12898989	0.166867299	0.12898989	0.12898989	0.760398133	1.054280317	0.54781213	1.904806365	1.577497871	2.0245613	2.059925424	1.873357018	1.642635818	0.12898989	0.12898989	0.12898989	0.147872809	0.12898989	0.439764331	1.703727845	1.167871439	1.674535365	1.003546786	0.801702927	0.572531979	1.233819744	0.715319495	0.534028206
1-methyl-5-imidazoleacetate	1.343488868	0.207540732	0.207540732	1.166435213	1.233001791	1.295118997	1.249994029	0.883770366	0.207540732	0.540957093	0.411242856	0.207540732	0.207540732	0.207540732	0.207540732	0.6477011	0.618582274	0.207540732	1	0.207540732	0.207540732	0.702164975	0.207540732	0.691471466	1.155745116	1.217398277	0.207540732	0.419745799	0.409093236	0.207540732
1-methyl-5-imidazolelactate	1.477794374	1.657043557	1.384772002	0.15147502	1.272560606	1.365114279	1.620620917	1.833756928	1.823546889	0.448307789	0.15147502	0.317487773	0.36039274	0.520009535	0.280750748	0.610500702	0.539081096	0.388077079	1.46145094	0.773521611	1.402047075	0.373895189	0.360687548	0.356873466	1.089452428	1	0.659715257	1.117833482	1.173619036	0.901834606
1-methyladenine	3.490411143	3.402997709	3.420254195	4.825932734	3.818490813	4.616194821	1.730142941	1.594941785	1.519911139	0.605011196	0.531240956	0.48352139	0.421778337	0.514732218	0.485367547	1.306835524	1.421335812	1.260635161	2.19006631	2.220650887	2.021251061	0.281094024	0.216948694	0.34919343	0.610101218	0.932476469	0.648118826	1.377718489	1.067523531	1.232957615
1-methylguanidine	0.065776551	0.092493188	0.086249076	0.075102126	0.10106152	0.078027167	2.578143527	2.192438717	2.406617696	0.873765656	0.812921698	0.875268664	0.844244908	0.854792313	0.868911911	0.035065426	0.035065426	0.035065426	0.035065426	0.080339698	0.070557186	1.376846588	1.414393081	1.363300393	3.853599599	3.81214044	3.575807192	2.181348511	2.476086306	2.24634593
1-methylhistidine	0.156946269	0.156946269	0.156946269	0.156946269	0.156946269	0.156946269	0.788379601	0.925189217	0.798388473	12.61662658	11.54684176	12.05477664	13.34254965	13.96220943	15.92378025	0.32756248	0.328373317	0.303154322	0.156946269	0.156946269	0.156946269	3.165781425	2.910470619	3.021594316	0.236168992	0.244663823	0.268406192	0.159494616	0.167141193	0.163600057
1-ribosyl-imidazoleacetate*	0.089822151	0.170885576	0.089822151	0.089822151	0.089822151	0.089822151	0.673356052	0.787019563	0.089822151	0.089822151	0.089822151	0.089822151	0.089822151	0.089822151	0.089822151	0.109123694	0.089822151	0.089822151	1.216512962	1.273192542	1.181883012	0.545065799	0.089822151	0.089822151	0.807723164	1.215585897	1.185651123	1.081707786	0.927769161	0.930579645
"1,3-propanediol"	0.271504645	0.638919027	0.271504645	0.870870537	0.685369136	0.486426493	2.256089005	0.676095216	1.332155084	1.190278294	1.00387212	0.821223053	1.092367322	1.532753921	2.03581903	0.271504645	0.271504645	0.271504645	0.846407171	0.566751904	0.568369761	1.259010347	0.99612788	1.03818064	1.200456987	1.888126392	1.306085363	2.118709242	1.495397544	1.895974145
2-aminoheptanoate	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212	2.549200635	2.012202558	2.976062914	2.049539282	2.673539372	3.02354106	0.697604716	0.739977273	0.715743168	0.327725212	0.423275542	0.327725212	0.895611084	1.243556136	1.228207869	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212	0.327725212
2-hydroxyglutarate	0.371856503	0.328428537	0.694400671	0.469564231	0.258533895	0.454771916	1.894076147	1.737157597	1.919121951	0.627436957	0.713512751	0.692828273	0.693998047	0.685682348	0.698443361	1.831520516	2.015170695	1.867876155	0.069557824	0.069557824	0.069557824	0.646780221	0.762083912	0.635891193	1	1.040115194	1.044774375	1.115523619	1.001294457	0.980899176
2-methylserine	1.025223186	1.46206764	1.318653377	1.255757064	1.343243769	1.057890568	1.123085584	0.864502808	1.377129282	0.032561624	0.032561624	0.032561624	0.032561624	0.032561624	0.032561624	0.319055826	0.751027752	0.188604227	1.13093835	1.221805321	1.011884891	0.032561624	0.032561624	0.08603674	0.816253376	1.213857642	1.298344929	1.093619895	1.195060082	0.032561624
2-oxoarginine*	0.173782837	0.153200197	0.179069216	10.11220347	10.52749258	10.15338492	4.329107039	3.939008699	3.994765555	4.772856889	4.470104622	4.404066087	3.826863072	4.726610166	4.039791051	0.997230552	0.960670912	1.002769448	0.679469994	0.708604011	0.705589042	1.100144684	0.959720241	1.014809419	0.633897169	0.728093861	0.702361362	0.836110271	0.863333616	0.815710177
2-piperidinone	1.005681784	0.923929811	0.994318216	0.931309534	0.981744533	0.789734567	1.154688102	1.095707448	1.027253642	0.552858492	0.468253986	0.468919079	0.324639141	0.318772034	0.18713955	0.345959133	0.222902717	0.326334502	1.555241281	1.688386526	1.618206607	0.453318121	0.474965866	0.490908008	1.646334024	1.931395638	1.626210792	1.289201076	1.320668873	1.396124187
2-pyrrolidinone	0.971678075	0.918624433	0.941167274	1.143650921	1.192988702	1.170973818	1.583735153	1.455835923	1.374009289	0.29859758	0.266923339	0.235680943	0.266972665	0.2817081	0.243588125	0.406884641	0.375113684	0.402530359	1.11137754	1.090367478	1.112444857	0.318356804	0.295244714	0.285560737	1.757284242	1.841136106	1.725987126	1.526750337	1.631682187	1.653625469
2'-deoxyadenosine	2.673015338	2.912459461	2.672530233	0.05248816	0.05248816	0.05248816	0.59421824	0.591315243	0.577384792	2.080009397	2.033305494	1.936243451	1.925899258	2.203695303	1.922663302	0.501249988	0.492324806	0.493396984	0.720398803	0.728811827	0.701559965	1.24978531	1.197875668	1.213723415	1.005173137	1.112193463	1.077508727	1.101065195	1.014159361	1.057938995
2'-deoxycytidine	0.161588123	0.161588123	0.161588123	0.161588123	0.161588123	0.161588123	0.161588123	0.161588123	0.161588123	16.61810262	18.19088057	18.57522261	15.63861547	15.12267596	16.79404463	0.500484392	0.451791681	0.449653546	0.161588123	0.161588123	0.161588123	2.605866058	2.481840991	2.70190048	1.076458189	1.334992753	1.090760987	0.919430159	1	0.743824953
3-amino-2-piperidone	1.237099373	1.181490814	1.184181296	1.229547236	1.260763915	1.284365961	3.523001698	3.195092116	3.078264218	0.305916959	0.302445261	0.311923297	0.305694487	0.316141566	0.305800617	0.206011214	0.208862882	0.212834855	0.896906494	0.873798018	0.823960956	0.41423089	0.38084699	0.409516543	2.346355813	2.486751879	2.448214225	1.692443248	1.748435391	1.736567271
3-aminoisobutyrate	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982	0.699845749	1.310425117	1.391432724	1.418406462	0.616734085	0.641118857	0.231306982	0.661784603	0.292066867	0.231306982	0.231306982	7.965338788	1.143052221	0.856947779	1.940418944	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982	0.231306982
3-formylindole	0.991762469	0.896875244	1.032282474	0.983868483	0.964662315	0.987635134	1.254861247	1.113409859	1.104745589	8.263754719	7.852624438	7.983491494	6.591512927	6.926495697	6.924650154	0.623557941	0.692601189	0.657115092	1.010174316	1.008237531	0.940062078	0.817531111	0.941739455	0.951222293	2.820098964	3.190704329	3.075486762	1.307307673	1.359245838	1.429245616
3-methylhistidine	0.914667739	0.754624107	0.823643414	0.850015845	0.844860137	0.836387459	2.085858642	2.055497636	1.918975994	15.23526352	15.74050344	15.53685111	17.02302229	16.55746745	18.34638082	0.0541528	0.030537781	0.030537781	0.90668131	0.887285695	0.932377263	4.957214164	4.706255704	4.910277129	1.126947716	1.193610717	1.068009693	1	1.159115911	1.221541646
3-phosphoserine	0.954199299	0.896550961	0.861545378	1.156424341	1.173832075	1.186240444	1.4417504	1.303640908	1.236045651	0.165343391	0.178578651	0.139780404	0.131518604	0.166974191	0.135045945	0.125939705	0.130199924	0.141860374	0.841061562	0.833029151	0.868541146	0.160415476	0.136081751	0.140761057	1.285999606	1.37342895	1.245299803	1.151685703	1.140062859	1.115516458
3-ureidopropionate	0.547087563	0.395496121	0.591325325	0.933665447	0.654100605	0.627284274	1.127598464	1.029994274	1.00393479	30.22658556	30.24392677	31.16531758	30.66502664	29.89405189	30.59675114	1.20101378	1.241560314	1.27955031	0.535026841	0.690279283	0.702215608	28.77465086	26.89959106	31.1377072	0.978335692	1.083114233	0.99606521	1.106525334	0.958210074	0.960892173
4-acetamidobutanoate	1.149650979	1.083505648	0.981727788	1.023924792	1.089864563	1.059801645	1.543610937	1.9137654	1.679008876	0.251330069	0.272618712	0.184530534	0.190704606	0.204503609	0.227414872	0.303402189	0.274127333	0.279692935	1.436355886	1.128468315	1.19921274	0.249649208	0.201661947	0.182899798	0.95956019	1.192607975	1.225761079	1.158420957	1.199833432	1.162911209
4-guanidinobutanoate	1.1623735	1.121518162	1.14549444	0.759303837	0.757637555	0.759634072	1.261257197	1.104614861	1.12279638	0.271425254	0.252388304	0.2526866	0.251752505	0.272875837	0.265199803	0.189303588	0.195518393	0.200049083	1.39346983	1.32671578	1.41496377	0.647938558	0.646333247	0.643129051	3.323381111	3.383466683	3.230040215	1.959363726	2.106710887	2.103187613
4-hydroxyglutamate	1.215779751	1.443519769	1.39398353	1.78715543	2.11006659	2.151220314	1.4111953	0.155475064	1.29334134	0.366886085	0.155475064	0.555721384	0.271874056	0.155475064	0.155475064	0.24324132	0.155475064	0.155475064	0.442620932	0.965679731	1.045559172	0.378807339	0.427985573	0.260965619	0.155475064	1.168194179	0.984813099	0.627600794	0.75733011	0.155475064
4-imidazoleacetate	1.338720937	1.337523744	1.231160761	1.044057253	1.029628719	0.956882103	1.408577349	1.290082173	1.183807619	0.405087538	0.346613076	0.457708363	0.430424077	0.458760504	0.360615138	0.287113003	0.293038312	0.311516391	1.689558089	1.73632714	1.530490507	0.398094884	0.348395913	0.411802651	1.236417119	1.272129078	1.193640989	1.185713479	1.185240155	1.22679396
5-(2-hydroxyethyl)-4-methylthiazole	1.075309201	1.044372893	1.072589478	1.114638751	1.160867787	1.191427641	0.26071917	0.26071917	0.26071917	0.316342422	0.285914974	0.294663458	0.318949759	0.3400761	0.334237948	0.26071917	0.269116134	0.290748804	1.021877983	0.95562986	0.997470439	0.373694619	0.392683632	0.367414592	1.061099911	1.068515327	1.043975005	0.976351764	1.041837676	1.070772856
5-(galactosylhydroxy)-lysine	0.856583301	0.215917797	0.719658522	0.862183144	1	0.912143188	0.215917797	0.215917797	0.215917797	2.108783882	0.215917797	1.196885828	1.905217224	1.969689632	2.142496885	0.215917797	0.215917797	0.215917797	0.740606582	0.724941265	0.66950432	2.204269824	2.088566725	2.015107581	0.215917797	0.215917797	0.215917797	0.215917797	0.215917797	0.215917797
5-aminovalerate	0.833507533	0.820758945	0.954513743	1.11903381	0.810883279	0.866711377	0.8850801	0.774382455	1.08158826	0.544528992	0.914323872	0.965052985	0.737739851	0.951329289	0.932508215	0.623822708	0.418595156	0.631543684	0.92242052	0.418595156	0.774069636	1.18061418	0.907449244	0.849570943	1.216111924	1.334769419	1.019562773	1.501243079	1.356409884	1.290184968
5-hydroxylysine	1.152671581	1.00643946	1.032753265	1.193325421	1.117294985	1.174709248	0.858195015	0.7910248	0.775302011	1.104384047	1.195629234	1.218039627	1.120403381	1.101255578	1.083445277	0.207691105	0.210185345	0.218782576	1.032612105	0.97523556	0.98481873	0.982865884	0.975922972	0.974539574	0.859140708	0.91821033	0.73369217	0.836335037	0.792419548	0.808890514
5-methylcytidine	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.46164989	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.116890276	0.902473308	0.891748641	0.749650386	0.384338741	0.116890276	0.116890276	1.508767785	1.183813247	1.095281051	0.116890276	0.796018939	0.967661335
5-methylthioadenosine (MTA)	0.125284441	0.125284441	0.125284441	0.125284441	0.126456714	0.142234401	0.163266949	0.180268451	0.177312817	0.125284441	0.125284441	0.125284441	0.125284441	0.125284441	0.125284441	0.157609573	0.139532004	0.125284441	3.7146043	3.50922661	3.578271449	1.951028269	1.818115374	1.866376207	1.006559922	1.069818964	1	2.770766807	2.888529703	2.880550168
"5,6-dihydrothymine"	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104	0.004970104
5'- GMP	3.188664676	2.411733303	2.584991756	0.029153664	0.025116045	0.029760254	5.757526132	4.978702538	4.777153772	1.065058335	1.608803673	0.922637332	1	1.050207598	0.983655928	0.656076801	0.41850595	0.68647903	1.252983216	1.191978365	1.282467189	1.70408797	1.588793158	1.017796247	0.917004756	1.027249308	0.967755192	1.44181809	0.902328531	0.926381198
7-methylguanine	1.852972776	1.830058515	1.91207401	2.222766113	2.123217922	2.263668256	1.882173463	1.793416357	1.673881297	1.184298806	1.162961712	1.182206637	1.152364904	1.212118206	1.126188699	0.725199195	0.678096795	0.699526068	0.800365571	0.855778733	0.840167173	0.581560861	0.575942736	0.604502075	0.986336328	0.958833844	1.013663672	0.97498305	1.032679552	1.030044027
acetylcarnitine (C2)	0.148282332	0.730713422	0.148282332	0.148282332	0.148282332	0.148282332	0.237930859	0.665305408	0.231947873	5.222241223	5.339517026	4.781287537	5.630246163	5.851816656	5.590567581	0.70827313	0.616423651	0.392308819	0.945227077	0.931069029	0.884752773	3.94401157	4.07961112	3.809545265	1.301680308	0.477704947	0.61562287	0.59897851	1.06798478	0.978334888
adenine	2.776034328	2.887356172	2.77612578	3.057016122	3.066064899	3.147480318	2.424966837	2.050622268	2.193032941	0.954068124	1.015309602	1.008961745	0.989950934	0.991809479	1.008190521	1.253779539	1.364190742	1.339224395	0.40759859	0.375155135	0.390986426	0.623652342	0.647606553	0.652408226	1.32636709	1.313881788	1.295129039	1.210988771	1.313728147	1.259639942
adenosine	0.004447488	0.00130908	0.00130908	0.00130908	0.00130908	0.00130908	0.84198234	1	0.842906378	0.012522009	0.009944481	0.007870055	0.028803137	0.035555283	0.030362571	0.070948946	0.044521476	0.00130908	13.2432345	13.33113518	13.54139694	5.216462098	5.074588613	5.315061124	8.959859468	9.278839017	9.014417687	8.768734413	9.438635523	9.474268364
agmatine	1.722939661	1.808220629	1.672707659	1.859885311	1.986424763	1.922208776	0.488060376	0.487766588	0.372836918	0.701641052	0.733619869	0.783246165	0.762461376	0.738857374	0.759931007	0.160581791	0.140325244	0.138546445	1.613193518	1.598383382	1.458779218	0.747389179	0.726754375	0.594210602	1.23406632	1.258608961	1.188422028	0.873185714	0.807194636	0.81964293
alanine	1.485157205	1.215718064	1.479949939	1.379266122	1.457026143	1.419801191	0.539885396	0.585405972	0.501529611	1.053309494	0.948739044	0.975609909	0.768079633	1.035147088	0.858687848	0.565317264	0.525125593	0.536672882	1.31883285	1.313738911	1.28767471	0.790596993	0.638602827	0.70876775	1.184424884	1.51766226	1.176761131	1.15369743	1.107309152	1.228101066
alanylhistidine	0.142417685	0.142417685	0.142417685	0.335140085	0.344577977	0.338665323	0.142417685	0.142417685	0.142417685	2.305498715	2.158659791	2.175505393	2.410624993	2.597169351	2.455657693	0.15847576	0.142417685	0.148773369	1.049449073	1.055240521	1	3.829574213	3.51249696	3.448352534	0.954732374	1.082822389	0.96213141	0.951530397	1.044392228	0.994169123
alanylleucine	0.014255946	0.010402992	0.013417578	0.003738151	0.003738151	0.003738151	0.016470654	0.014943005	0.013603437	0.122344571	0.127561289	0.132358952	1.315198023	1.326094334	1.280319875	0.076205165	0.081761844	0.083668313	1	0.991366948	0.971022524	3.284606573	3.266382339	3.293073958	1.341085448	1.385737311	1.410145746	1.230877817	1.343958682	1.319359391
alanyllysine	0.017283556	0.016659683	0.019124768	0.22326885	0.232209049	0.211089203	0.024065154	0.021830395	0.023743755	1.107757979	1.032794412	1.067697435	2.270699314	2.294953123	2.173405214	0.153445115	0.149400067	0.149725345	1.154157057	1.190877497	1.190002865	2.919444686	2.823524063	2.784023994	1.32938466	1.463823094	1.335401882	1.2224672	1.253293476	1.268578015
alanylproline	5.42015581	5.963244555	5.401117437	0.724069899	0.807378077	0.743167722	2.431743453	1.872531221	2.075346844	0.255946996	0.263859499	0.258952753	0.243943179	0.218152608	0.253708689	1.130528266	1.127730362	1.137948012	1.070396935	1.028950837	0.99306959	0.022847547	0.022847547	0.022847547	1.070767728	1.130635998	1	1.518657849	1.435133141	1.21413109
alpha-glutamylglutamate	0.475251881	0.460909868	0.46858395	0.005332953	0.005332953	0.005332953	1.137068073	1.045522533	1	0.005332953	0.005332953	0.005332953	0.129116972	0.146172337	0.131271567	0.177677811	0.17355667	0.187486999	1.557748173	1.527598437	1.502652495	0.889235059	0.869527229	0.937954653	1.49111807	1.485066879	1.451337572	1.424463396	1.454252348	1.437291521
AMP	2.159015037	2.158866099	2.139569796	0.065885651	0.051948706	0.073188124	3.785005669	3.53223252	3.246385416	1.044266921	1	1.026442527	1.111565398	1.163639182	1.069862479	0.516649754	0.541309837	0.515397228	1.53086159	1.492814475	1.344704617	1.001084069	0.920323005	0.960534472	1.048127861	1.061417198	1.027643491	0.898932583	0.923919965	0.913365814
anserine	0.49635467	0.206453296	0.237095953	0.562101044	0.71809748	0.618925935	0.655869178	0.794945279	0.725706923	1.64592899	1.801875159	1.696931789	1.710532578	1.99187325	1.778140748	0.159145457	0.159145457	0.159145457	0.159145457	0.670673836	0.484384067	2.080539578	1.731789259	1.766119878	0.159145457	0.23464113	0.159145457	0.713500255	0.70957241	0.159145457
anthranilate	1.174043541	1.125837526	1.123929003	0.914904694	0.905621172	0.842289291	0.02534297	0.02534297	0.02534297	0.041538654	0.040332903	0.033373302	0.034279212	0.038940131	0.034254884	0.037132569	0.03744944	0.026423128	1.030013925	1.011724218	1.015439391	0.107753998	0.106306488	0.102472413	1.045863848	1.143101812	1.107592521	0.134892974	0.167582054	0.132747862
argininate*	0.841123976	0.702996839	0.816901393	1.847644928	1.465700591	1.552297547	1.984767047	1.938690612	1.749467507	0.243651733	0.243651733	0.243651733	0.243651733	0.243651733	0.243651733	0.243651733	0.243651733	0.243651733	0.729199473	0.603636719	0.496629583	0.243651733	0.243651733	0.243651733	1.032270495	0.974174942	1.14701793	1.107120409	0.782189983	0.887719022
arginine	0.955401967	0.977681833	0.922021982	0.996308596	1.006217948	1.006904474	0.917111587	0.832123664	0.884426624	1.019497991	1.05117886	1.06478312	1.064660525	1.023144103	1.026238888	0.508952795	0.543741962	0.541146372	1.000460727	0.999539273	0.967927773	0.742275753	0.770342489	0.784753345	1.126982891	1.12005075	1.14254954	1.062862621	1.113167745	1.07501911
asparagine	1.416446654	1.383995009	1.34746223	1.408656265	1.45362221	1.421476981	1.288806565	1.122371813	1.116767605	0.938935265	0.953846255	0.939248348	0.913122287	0.89583124	0.887805284	0.652018185	0.663556204	0.678606657	1.468612539	1.475958911	1.446545044	0.674153736	0.651493187	0.63507267	1.701872914	1.734377549	1.753319761	1.621787225	1.688761361	1.733504059
aspartate	1.232996469	1.211402276	1.149796535	1.087448536	1.110043343	1.097467444	1.145046236	0.981285379	1.029753359	0.972568826	0.988860832	1.011139168	0.977579153	0.952996451	0.975990866	0.438879569	0.452756923	0.465286056	1.056597288	1.04265421	1.039844809	0.812468203	0.810958945	0.79985075	1.293126762	1.275375093	1.339857511	1.203089881	1.273539984	1.305395897
aspartylaspartate	1.193203811	1.321195951	1.320473624	0.067285583	0.078886261	0.060543685	0.791470121	0.545261824	0.664019855	0.297886532	0.322958597	0.362073913	1.03125761	0.904682721	1	0.201670092	0.218159021	0.273247243	1.122846913	1.087952327	1.067677512	1.741562803	1.865362133	1.893852975	1.185086025	1.031508383	1.153451998	1.111585424	1.139879267	1.044260545
beta-alanine	0.630850933	0.438739042	1.119808904	0.82647371	1.669529078	0.457650481	3.777236134	5.246437003	3.729564023	1.204529635	3.37423807	0.832105362	0.689555753	0.90512849	0.737266843	0.582169676	0.182158039	0.408605538	1.707216267	1.123505304	1.087435325	1.287466282	0.864866465	0.791121274	1.627599679	4.860400439	1.281775542	0.869984957	0.659693516	0.478155404
beta-guanidinopropanoate	0.998935215	0.887253069	0.993534834	0.825843786	0.819728265	0.874371222	0.918806415	1.035512724	0.688229184	0.988909267	0.646433576	2.236519328	2.050215055	0.861649745	0.370255203	0.470267138	0.488118603	0.49122951	1.174276025	1	1.058371569	1.98512611	3.530171084	1.649888999	5.872837913	7.037775625	6.096911751	1.42107864	1.593913197	1.548436062
betaine	1.052904893	1.148576703	1.047122347	1.100802123	1.096647691	1.092506047	1.027247017	0.870264544	0.957092303	0.307291364	0.328122394	0.330816184	0.349572627	0.333573604	0.354471269	0.472602214	0.491609617	0.495135622	1.0835398	1.100780826	1.020076903	0.310923506	0.339554987	0.327939184	1.064523817	1.004599609	1.063106205	1.014326657	1.09330793	1.053548001
biotin	0.257220488	0.257220488	0.257220488	0.750559617	0.798350533	0.848231772	1.207532979	1.598996514	1.620629083	1.010342543	1.066856163	0.869480138	0.834771652	1.198067916	0.989657457	0.520689156	0.427116249	0.497233252	1.225932384	1.04323095	1.047255311	1.017111674	0.766123085	0.735901305	0.384671612	0.364445617	0.514984721	1.249508758	1.191542981	1.182126758
cadaverine	0.399687171	0.401175692	0.350400725	0.452200934	0.458289718	0.482628302	0.915440215	0.960769351	0.921549261	1.373854358	1.241557149	1.112313464	1.245695673	1.312920288	1.045077434	0.068033656	0.068756228	0.47940555	0.477345706	0.442916795	0.544722711	1.039230649	1.129118405	1.407057579	1.987907474	2.013120736	2.003409673	1.58538338	1.593743472	1.689691189
carboxyethyl-GABA	3.39804487	3.843544719	3.145962053	5.364163154	4.13696993	2.573310135	0.700062524	0.853067109	0.46854406	0.310093021	0.407721591	0.16845489	0.418052573	0.459202383	0.16845489	0.394199771	0.302426567	0.423343376	3.685709688	3.341857625	2.944485482	0.294653268	0.16845489	0.16845489	0.766095332	1.154020272	0.574994592	0.686466836	0.713907517	1.055589705
carboxymethylarginine	1.124230015	1	1.00108304	0.605193157	0.572685546	0.638113645	4.281907744	3.859939132	3.775487298	0.439667955	0.441835442	0.515801797	0.362332506	0.362175978	0.343746017	0.051638667	0.051638667	0.058646326	1.69938673	1.64667299	1.63485187	0.582029405	0.639401015	0.655817206	6.710239628	6.589598033	6.67083777	2.256619152	2.315749121	2.460970247
carboxymethylproline	1.849688848	1.224801147	1.839688121	1.54258079	2.083690851	2.241838858	0.889644843	0.758203364	1.104537916	0.309122981	0.143579104	0.260896183	0.263288758	0.235531374	0.38416186	0.194051872	0.182463132	0.143579104	1.687564945	1.584063811	1.973038968	0.31417319	0.150557446	0.143579104	1.898122064	2.356090158	1.908745564	1.033613327	1.158554979	1.027508743
carnitine	0.332550713	0.341823463	0.342765108	0.335457354	0.333749779	0.342431067	2.101446428	1.8314693	1.90411812	0.9927752	0.970684166	0.957440345	1.0072248	0.952369467	1.021769823	0.077307589	0.086799178	0.072569576	0.383351171	0.385562314	0.365119933	0.983912984	0.895089382	1.020558252	2.179860158	2.314589817	2.270705995	2.038324232	2.126929448	2.103251234
carnosine	0.39544934	0.356612945	0.40351547	0.23746066	0.23746066	0.23746066	1	1.133981867	0.97695865	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066	0.23746066
choline	0.862810675	0.87994346	0.849853819	0.904258964	0.932146989	0.879676506	1.290334529	1.162864463	1.148067694	2.652332838	2.89984899	2.884477901	2.789897079	2.637267549	2.800364494	0.31999247	0.330008259	0.326239605	0.932144847	0.923944556	0.961449832	2.744998192	2.918266842	2.924536885	0.986146445	1.027190466	1.047229117	1.004074691	1.072861996	1.063163686
citrulline	1.224981754	1.290192038	1.270708877	1.203569651	1.1619411	1.209166663	15.15458646	13.50696466	14.31753216	0.428518337	0.444153442	0.427908929	0.444367782	0.421673616	0.436448105	0.802254999	0.825713634	0.8380589	1.467204145	1.41849072	1.386850072	0.449572458	0.424674729	0.424588239	2.066532856	2.030635207	1.993504354	1.957718722	2.063854768	2.07752727
CMP	4.025010525	3.403192774	4.24956213	1.192815498	1.145444171	1.15317093	6.14594327	6.24853878	5.354619706	1.572785962	1.207335357	1.270539821	0.096020517	1.681114486	1.3083131	0.103671816	0.096020517	0.098304853	0.682817311	0.62364469	0.668331211	2.500921082	2.081624109	2.019607817	0.482256521	0.550498635	0.493360137	0.422582153	0.470050784	0.496202152
creatine	0.051586736	0.043457351	0.051157716	0.031709905	0.031633888	0.032649213	0.996978193	1.08237718	0.968314695	1.800233716	1.600983445	1.449850508	1.694970067	1.913114784	1.70524377	0.091612994	0.097257594	0.10104619	0.054846581	0.055750429	0.056118701	1.91545006	1.586547373	1.763234745	1.163708001	1.287146533	1.163837278	0.969387387	0.998956091	0.997905699
creatinine	0.049799899	0.052963169	0.051411529	0.057848889	0.058873352	0.056536204	1.211082175	1.074260757	1.09156488	2.956301728	2.969344716	3.062036564	2.953233015	2.974415345	2.997104849	0.082009118	0.086919765	0.093204164	0.068720213	0.070501247	0.068320324	2.87567846	2.895210042	3.008214887	0.978041902	0.959074004	0.980154417	0.975191736	1.039526837	1.019845583
cyclo(gly-phe)	0.524689808	0.472993588	0.462890345	0.689156578	0.613941295	0.557167411	1.349349522	1.538375888	1.286631635	1.230738559	1.204773837	1.30613961	1.427808514	1.458026227	1.514648487	0.301571217	0.301571217	0.301571217	0.301571217	0.425956619	0.421761499	1.706040649	1.710958008	1.735764717	1.210474201	1.125608232	1.301990208	0.718216857	0.580864719	0.969994676
cyclo(gly-pro)	0.920497114	0.904329111	0.938288962	0.950622884	1.008928028	1.011495587	1.441152656	1.329492425	1.320431417	0.449984825	0.455309012	0.447436775	0.45032604	0.457772628	0.4446779	0.088719585	0.084644164	0.084325278	1.007411202	0.86582554	0.977694093	0.519422875	0.496916953	0.485248251	1.201394797	1.221134076	1.190212243	1.095593889	1.215605807	1.178764449
cyclo(his-phe)	1.084019527	0.999203971	0.993442884	1.05167667	0.982300416	1.023218104	1.104972841	1.003822402	1.033594725	2.008009379	2.157243615	2.267354546	2.257814597	2.126216286	2.130855158	0.392276712	0.337834504	0.318095957	1.073346257	1.022594223	0.904819494	2.364761212	2.311957257	2.37085098	0.996195786	0.854800634	0.910897673	0.946977864	0.895521468	0.986134165
cyclo(leu-pro)	0.580158778	0.623070796	0.562552221	0.592791399	0.624816086	0.589745483	1.423132706	1.197151264	1.368811911	1.391393678	1.321582973	1.402595408	1.787724264	1.230219643	1.33291322	0.198502783	0.206721745	0.215411172	0.528856154	0.567179017	0.552789334	1.146452193	1.13986297	1.213649708	0.974084103	1.016827727	1.07046515	0.995309575	1.017929325	0.954789869
cyclo(phe-pro)	1.007603726	0.70116616	1.028218401	0.995028072	1.139599203	0.994394315	1.505124213	1.754738634	1.557310785	0.762720894	0.61495387	0.552457244	0.594775339	0.821794643	0.660089549	0.132404796	0.104548122	0.089277005	1.03320193	1.05644331	1.100186579	0.725774031	0.640163354	0.587483822	1.450627277	1.314746127	1.492250723	1.242087941	1.478017646	1.505327034
"cyclo(phe-pro) (L,D)*"	0.635896429	0.45819828	0.614393825	0.739669214	0.82448768	0.694222565	4.539513568	4.671401728	4.546957109	1.073752826	0.978892061	0.930393167	0.890933561	1.001102096	1.013825052	0.054787017	0.04999919	0.031087489	0.532053136	0.484151296	0.499215728	1.073298947	0.995879047	0.966480595	3.56571552	3.496652027	3.408461185	2.184258089	2.427530694	2.425323163
cyclo(pro-arg)*	0.998666314	0.908493968	0.921368413	0.934060225	0.894812631	0.949343364	1.197111194	1.001333686	1.11879278	0.360455778	0.394541815	0.406716855	0.376659156	0.366092565	0.360984746	0.083152477	0.078297946	0.080246436	1.00433251	1.040874635	1.050866323	0.369066129	0.374405892	0.379532602	1.117025476	1.076755526	1.070775968	1.130115858	1.213215088	1.207922954
cyclo(pro-tyr)	0.988626639	0.78732546	0.994476857	0.942961647	1.001262712	0.99024853	1.920947805	1.79235711	1.756296838	0.207049369	0.181203275	0.176109351	0.155959826	0.190727678	0.177645035	0.071117406	0.071151589	0.07036042	0.90228907	0.963539034	0.998737288	0.202418644	0.170207282	0.14421672	1.256299538	1.674474107	1.595448589	1.556468982	1.630338563	1.553973698
cystathionine	0.892432581	0.949068023	0.943580521	2.184798935	2.066873106	2.178946829	1.257637423	1.050931977	1.056297314	0.436928716	0.413721033	0.415231833	0.394140386	0.442215288	0.409839454	0.043971119	0.043971119	0.043971119	2.112387268	1.983628173	2.029319626	0.412626653	0.38774128	0.3980943	1.26122834	1.325960908	1.227444108	1.688648129	1.678915011	1.75736657
cysteine	0.08937733	0.08937733	0.097810155	0.08937733	0.091580624	0.08937733	1.37490095	1.33940153	1.781776222	2.196243949	2.295617483	2.214802333	0.976170671	1.4673485	1.350902006	0.378031136	0.40149896	0.393439632	1.053217435	1.108979966	1.322104985	2.228362187	1.952502392	2.273432916	0.64718853	0.715229371	0.578392126	0.935035375	1.030750174	1.128466098
cysteine sulfinic acid	0.156900588	0.156900588	0.156900588	1.310602759	1.280359817	1.282545608	1.393955646	1.542323007	1.388100409	0.972757889	0.820624053	0.794105246	0.376970343	0.601295244	0.416956723	1.029387326	0.900325134	1	0.836691994	1.028192992	1.095467352	1.44871684	1.108742632	1.032591035	0.478871575	0.792238768	0.684785734	0.758539843	1.037841166	0.999020893
cysteine-glutathione disulfide	0.505532761	0.756532498	0.754998237	0.341996675	0.341996675	0.341996675	4.664055133	3.225797479	3.100246469	3.920299172	3.328110266	3.635603113	4.468568732	4.078505719	4.000692661	10.93111885	11.29699258	11.57975601	1.048426126	1.004153272	0.995846728	2.076885324	2.015534618	1.916688724	0.780606939	0.400817196	0.635539409	0.77868687	1.028886279	0.85652864
cysteinylglycine	0.171463608	0.171463608	0.171463608	0.171463608	0.171463608	0.171463608	2.501673187	2.287905067	2.36101826	0.258683764	0.459611398	0.437302485	0.171463608	0.30388606	0.214173899	1.072497079	1.097093245	1.050424933	2.104303082	2.057395025	2.360733842	0.944116036	0.727145613	0.949575067	0.631731697	0.770291465	0.666673368	1.541066142	1.807643611	1.524104578
cystine	0.530336656	1.334823074	0.669035583	0.235630216	0.136351383	0.13674774	1.331005218	0.215541298	0.846710159	13.54202192	16.98094715	16.9030454	16.04081317	14.78628603	15.23265462	0.804642338	1.990810916	2.284852874	0.096215805	0.096215805	0.096215805	5.6176111	7.274349398	6.796132308	0.096215805	0.096215805	0.205536183	0.189891716	0.174515373	0.122933512
cytidine	0.137875083	0.120440897	0.141997307	0.028226991	0.028226991	0.028226991	0.028226991	0.028226991	0.028226991	1	0.952207907	0.92801053	1.074324096	1.149639785	1.029990573	0.137696945	0.161905553	0.093215522	1.586579324	1.530304172	1.483436979	0.728451538	0.52872823	0.663750343	2.686323227	2.953962159	2.846342005	2.391463758	2.506775459	2.421498563
cytidine 2' or 3'-monophosphate (2' or 3'-CMP)	0.684444661	0.727468887	0.718958965	0.086209272	0.099917287	0.098873725	2.203854077	1.895079735	1.967263385	1.622737553	1.669533258	1.658894738	1.713518759	1.684033775	1.693818106	0.491765521	0.528370097	0.507850323	1.170529795	1.054964769	1.144805466	1.836801647	1.838133878	1.900243754	1	1.082168342	1.029223983	0.984052326	0.990882862	1.001296389
cytosine	35.71903203	35.3432052	34.25823175	44.47694302	43.5749554	43.38420641	0.150472627	0.143343977	0.142495264	6.752732107	6.58615861	6.636113915	6.374840594	6.54621839	6.460811184	0.750338763	0.731559688	0.798533778	0.450875329	0.43730709	0.457477533	5.769939691	5.337893365	5.626463596	1.041532077	1.02314603	1.025019163	0.897733558	0.94004634	0.940655807
deoxycarnitine	0.219160143	0.200640476	0.164520432	0.213224185	0.193110158	0.205841084	0.92474695	0.827844971	0.813848468	1.596504412	1.392999336	1.429021317	1.43451366	1.590201638	1.522225366	0.049493737	0.06864202	0.048881886	0.241606662	0.240710846	0.23513966	1.557931322	1.426458349	1.450121945	0.991931358	1.055030163	1.018360672	0.880715377	0.999132401	0.918393878
diacetylchitobiose	0.990927787	0.683462433	1.326128741	0.510292733	1.971370634	1.635948642	0.510292733	0.510292733	1.264766371	0.782651316	0.510292733	0.510292733	0.510292733	0.560276395	0.588050435	0.970476868	1.178003729	1.030734042	1.248140389	1.039681319	0.510292733	1	0.510292733	0.510292733	1.216406866	1.070184712	0.98515194	1.346425894	0.510292733	1.179358794
diacetylspermidine*	0.061140023	0.077591762	0.061140023	0.28753342	0.333684568	0.320126635	0.120784812	0.061140023	0.061140023	1	1.054716816	1.014935922	0.961493127	0.992355129	1.035649612	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023	0.061140023
dimethylarginine (ADMA + SDMA)	0.929496979	1.001962433	0.908194658	1.028283696	1.043099763	1.023866532	1.30092083	1.134396466	1.118013737	2.137348731	1.994689307	2.097260302	2.223990008	2.192247272	2.217635171	0.509483326	0.550253443	0.540587221	0.915082451	0.902443344	0.901258064	1.809583728	1.822219857	1.864594486	1.073667384	0.978139998	0.930203445	0.945988365	0.884297001	0.998037567
dimethylglycine	1.466237258	1.435215187	1.242075815	1.624468443	1.498751779	1.69954569	1.515980431	1.260034391	1	0.736011528	0.678342513	0.882887164	0.788117424	0.820992211	0.682127512	0.390923518	0.778535576	0.299717203	1.384831603	1.35271879	1.40722222	0.723006604	0.532313944	0.648678068	1.626244905	1.257502033	1.65537503	0.853548726	0.969727745	1.159773917
ectoine	8.250252668	7.373079179	8.105329645	8.042639775	8.270697113	7.609894261	1	0.94617001	1.058444937	0.074170454	0.10331715	0.074170454	0.078939897	0.081471555	0.074170454	0.443811469	0.43845299	0.433916212	8.975441519	8.938945605	8.861035922	0.074170454	0.082357045	0.074170454	0.928839622	0.995541023	0.81088893	0.796879453	0.910106793	0.833729527
formiminoglutamate	1.372840188	1.3022288	1.377583266	0.903759653	0.984742028	0.951153488	1.254348794	0.138710248	1.050835921	0.337229179	0.293726652	0.352037929	0.401557301	0.369845378	0.32030656	0.173796193	0.138710248	0.20606235	1.307539725	1.096668177	1.08043592	0.850350918	0.768645121	0.869416576	2.355777552	2.37591084	2.338922996	1.191671707	1.281937992	0.722523108
fructosyllysine	4.70599765	4.249354772	4.339514951	4.008506437	3.978290571	3.765663056	0.965117941	0.869365022	0.90352738	0.232141719	0.224742958	0.23679534	0.186465827	0.193904436	0.186423919	0.326384145	0.33111823	0.341451224	5.301604762	5.214774081	5.227363959	0.448024048	0.449403921	0.419786363	1.030180758	1.051500724	1.0545137	1.312835762	1.257609793	1.272302513
gamma-glutamyl-alpha-lysine	0.775087909	0.35984605	0.547678564	0.66052767	0.593859231	0.585292367	0.904796107	0.833046745	0.803784646	1.002250608	1.02207121	1.015256063	0.84977954	0.732659772	0.544122303	0.286644446	0.383882038	0.266493582	0.628625926	0.997749392	0.680223724	1.125149256	1.158169832	1.311439966	1.647899357	1.603879036	1.295714749	1.370470053	1.479902839	1.540627966
gamma-glutamyl-epsilon-lysine	0.178864454	0.178864454	0.178864454	0.178864454	0.178864454	0.178864454	0.883864779	0.9542553	0.789405556	1.801337677	1.353100553	1.472673343	1.813591624	1.748473968	2.164013054	0.478115259	0.45717772	0.51488424	0.275913421	0.178864454	0.178864454	1.573420882	1.341870909	1.468070118	1.074737313	1.184025093	1.006538465	0.860290666	0.837417031	0.878639033
gamma-glutamylalanine	1.252779676	0.866046398	1.144038768	0.91918346	0.955457193	1.044542807	1.277239488	1.865834829	1.294425225	0.098328517	0.068080832	0.08285942	0.081533948	0.092841009	0.063693759	0.529521427	0.535696526	0.509424017	1.39008747	1.391873963	1.415493411	0.116637464	0.060191722	0.07914001	1.493838532	1.914228687	1.333738004	1.424519016	1.583085971	1.57059008
gamma-glutamylglutamate	1.134365286	0.830250357	0.968244792	0.955981353	1.489032329	1.086218662	2.289109494	2.83588356	2.449928297	0.578153436	0.378085135	0.327796483	0.420976892	0.630003502	0.309307989	0.382550243	0.175106274	0.403268794	1.349043205	1.321818033	0.886099792	0.507366616	0.316314063	0.364360173	0.937334283	0.56304374	1.216485938	0.869323173	1.340679868	1.455440383
gamma-glutamylglutamine	0.998770618	0.990141456	0.969074045	1.050641877	1.152368541	1.016350476	1.121284591	1.159668389	1.094213093	0.290267516	0.305082248	0.326438805	0.435643007	0.489794465	0.303867601	0.308390361	0.267625411	0.287748938	1.136492633	0.993493043	1.034133407	0.629372735	0.502627773	0.536851192	1.478151442	1.548513764	1.540886839	1.35185756	1.4990966	1.559039737
gamma-glutamylglycine	0.876179625	0.205688578	0.724095262	0.205688578	0.835624254	1	0.592934232	0.618733178	0.744259988	3.176592014	3.044336938	2.930858963	3.357715601	3.041461915	3.363279866	0.447333866	0.205688578	0.387660795	1.055417876	1.024159598	1.117406332	3.071544152	3.147378477	2.904928709	1.118999808	0.991932848	1.275632947	0.205688578	0.890965294	0.944496687
gamma-glutamylhistidine	0.972284987	0.501689981	0.501689981	1.078626012	1.496878147	0.855304781	0.501689981	0.530310493	0.546562069	0.887614986	0.673314885	0.790471113	0.88290301	1.059700255	0.882388484	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981	0.501689981
gamma-glutamylisoleucine*	1.228424309	0.726083048	1.704221144	3.443714554	2.967345293	3.015306109	1.418794865	1.146219743	1.088220985	0.869687876	0.610665891	0.703253441	0.629276999	0.768918472	0.455976098	0.359497905	0.429788612	0.323573893	1.298043441	0.640532501	0.829731766	0.880998903	0.604797536	0.713986754	1.1528694	1	0.992469891	0.901596975	1.345015401	1.055062597
gamma-glutamylleucine	2.70281158	2.419001256	2.610441743	0.497363728	0.45312448	0.432166413	0.562449174	0.596909144	0.647471761	0.510858583	0.409372501	0.305208821	0.457344151	0.464285532	0.437638935	0.216939738	0.20141804	0.169789829	0.752803934	0.582903827	0.811003479	1.147152694	1.185073577	1.078242986	1.178308641	1.056148487	1.308941791	1.033988048	1.105634244	1.15402336
gamma-glutamylmethionine	0.15120207	0.15120207	0.15120207	0.945086978	1	1.004144694	1.732419465	1.804310048	2.061513831	1.475551896	1.126523288	1.153419581	1.218296387	1.515366152	1.354318766	0.162064371	0.15120207	0.178243527	0.65619147	0.545003884	0.723135618	0.87548482	0.939180288	0.80390292	0.15120207	0.15120207	0.15120207	0.831952186	0.739438247	0.782039827
gamma-glutamylthreonine	1.159839453	1.12803243	1.010809519	0.87256681	1.008189178	0.906750733	1.323091547	1.239470706	1.083268163	0.42900691	0.36165073	0.359286315	0.334470434	0.46496314	0.360034028	0.447575795	0.355582971	0.388386054	0.963786952	0.988738821	1.136460146	0.432116809	0.389598803	0.43087062	1.086753925	1.126373817	1.161416027	1.049626857	1.268313182	1.110741391
glutamate	1.300678183	1.343832352	1.28390275	1.287208594	1.283401044	1.309312011	1.745097051	1.51943886	1.531072633	0.845334829	0.845345764	0.823581677	0.840873312	0.820600617	0.824566647	0.551797974	0.537377443	0.564399497	1.242673479	1.163237042	1.154654236	0.683877586	0.685910088	0.663204723	1.347498575	1.319359928	1.3690616	1.280265524	1.344707048	1.371546765
glutamine	8.048434037	8.333798195	8.004371302	15.40044679	16.81261724	16.90979956	5.041146953	4.104946094	4.475248793	10.46286234	12.40746686	12.33282079	8.829117623	8.641331808	9.163398728	0.979735636	0.908676759	1.121118167	0.539734136	0.505960351	0.502760917	1.898806694	1.642504723	1.905227927	0.083606396	0.076368824	0.068354962	0.145966028	0.146213867	0.14827912
glutamine_degradant*	1.161269733	0.954221676	1.137587813	1.064579952	1.078919545	1.071909877	0.997742542	1.135114413	0.943310642	0.336744636	0.282917716	0.284976639	0.297647647	0.348117164	0.338398622	0.502477747	0.535539966	0.489832363	1.255322515	1.273679292	1.255054167	0.291573398	0.299709461	0.297240955	1.091332013	1.122993831	1.140401955	0.944960456	1.05453539	0.962135623
"glutathione, oxidized (GSSG)"	2.364072721	0.608648282	2.17884862	0.593442393	0.087028116	0.634409923	0.935891716	2.21431358	0.992417531	0.311489013	0.229744701	0.087028116	0.245741597	0.16456737	0.278041447	4.273695214	4.534526311	4.778183699	2.184358734	3.608978048	3.649367948	0.087028116	0.087028116	0.087028116	0.769776815	1	1.060697466	1.386677874	1.985006412	1.406921858
glycerol 3-phosphate	1.44260388	1.492211227	1.406629387	3.945007464	4.009711875	3.869016143	1.210131485	0.956136644	1.149301389	6.224472302	6.765263726	6.915299165	7.235638423	6.247961071	6.425044943	0.28324356	0.317358505	0.327115099	0.708660672	0.683825647	0.656720829	9.356773819	9.314428059	9.699876141	0.864811055	0.764341162	0.871283101	0.840468259	0.948490411	1.010882741
glycerophosphoethanolamine	1.314625547	1.311949404	1.256632916	1.409224879	1.370076343	1.389893042	2.178575941	1.964084586	2.038849155	0.055550017	0.054201108	0.056995058	0.047366525	0.048616108	0.046866983	0.508022119	0.529026765	0.52297639	1.297006863	1.262701025	1.256300148	0.004701293	0.005072045	0.003630839	1.80711693	1.767707205	1.835207111	1.74015115	1.798377206	1.86151662
glycerophosphorylcholine (GPC)	2.41813748	2.597523312	2.389396345	1.802405593	1.770805097	1.805484225	1.16558298	1.078531309	1.107806762	0.33417416	0.307560649	0.325773193	0.351207837	0.360119099	0.350537697	0.550945489	0.596034705	0.584352671	2.545579115	2.527896667	2.440710286	0.010956252	0.009715876	0.008950082	1.381722493	1.356408383	1.403515117	1.350460011	1.419339998	1.44406471
glycerophosphoserine*	1.041563585	1.054294091	1.054559921	1.172099342	1.139001983	1.123398069	1.118087988	1.007530831	1.005067269	0.679832346	0.718275841	0.712733744	0.758645738	0.714446464	0.695567239	0.447292843	0.481006601	0.476858635	1.1584092	1.071335524	1.077796312	0.750539859	0.682106058	0.715734873	1.047298383	1.008361728	1.04778421	1.035547884	1.018515618	1
glycine	1.059510559	1.087278421	1.01805313	1.472415537	1.467786163	1.439985609	0.100497401	0.086749088	0.092168088	1.280340534	1.270340373	1.276139855	1.248304452	1.226726132	1.219885292	0.41291216	0.428015016	0.443241474	0.98194687	0.938120622	0.93275661	0.888090542	0.921469342	0.889968141	1.20229151	1.184316436	1.221103086	1.164386955	1.202771464	1.190584773
glycylisoleucine	2.014017911	1.902988498	2.025646687	0.402616069	0.389090038	0.395910702	0.104985885	0.108718749	0.106531689	0.881098856	0.8106996	0.864302846	0.819997182	0.875025961	0.794532569	0.722747253	0.707718436	0.718369854	2.767631469	2.831323454	2.817438302	1.094167209	0.944568446	0.974404744	1.77663988	1.943276678	1.78079187	1.665338494	1.713649842	1.700715804
glycylleucine	1.021921099	1.012135272	0.986303225	0.248481211	0.266790644	0.253651957	0.058653405	0.054583879	0.052432996	1.331371595	1.320797621	1.354461558	1.443585133	1.433949187	1.402946176	0.249408602	0.256687719	0.266576311	1.131334052	1.125691088	1.114620186	1.868754059	1.906448785	1.900766932	1.047447924	1.039531003	1.083609074	0.991472159	1.075452431	1.052504294
glycylproline	15.26412614	14.55736282	14.72165763	2.877754344	2.916819483	2.899056182	5.316080169	4.405907849	4.458256171	0.237523716	0.218839833	0.231603058	0.218199145	0.22690957	0.209740813	0.344918062	0.343372454	0.366578168	1.080868131	1.031220325	1.051196703	0.02615017	0.036361898	0.022783159	1.031608809	1.077139019	1.017771974	0.984465006	1.084940226	1.065307806
glycylvaline	1.892495087	1.751302801	1.843534843	0.361675184	0.370383255	0.36013304	0.482794048	0.437082398	0.454117301	0.674993439	0.642840986	0.669091451	0.596844063	0.642149876	0.622748372	0.253688061	0.265086275	0.268613668	1.655661787	1.586267654	1.561705251	1.025270173	0.939128718	0.981984913	1.802130188	1.848656373	1.766890855	1.678828261	1.699943344	1.731745401
guanidinoacetate	0.153361371	0.087297773	0.148308348	0.171110083	0.150161372	0.150740786	0.946694475	1.478205126	0.939238957	1.289777522	0.850420536	0.910016264	0.925552626	1.445292354	1.040628302	0.290204721	0.210548117	0.213954229	0.176725551	0.130933434	0.164800916	1.338652358	0.83562778	0.959371698	1.108561892	1.873769246	1.168870284	0.953299088	1.071712503	1.119141051
guanine	5.830589389	5.218173285	5.762814574	3.35415434	3.316186007	3.260629186	4.002235722	4.088493796	3.769245505	1.313487591	1.121061791	1.100483689	1.035739858	1.169384431	1.051764422	0.723228361	0.738752584	0.752095258	0.774432164	0.754497374	0.752527892	0.009152338	0.007691063	0.007194491	1.073539735	1.147754458	1.052103117	1.025840294	1.07726073	1.070859821
harmane	1.189137075	1.10332737	1.235957873	2.067178616	2.130221577	2.033619958	2.906323506	2.760455141	2.791847647	0.344163181	0.207843726	0.207095375	0.195469533	0.368435731	0.299363477	0.216914372	0.16856167	0.203583042	0.898832712	0.934625498	0.944496691	0.50994266	0.466940698	0.460428891	17.68869872	18.98182927	18.21246979	3.955332608	4.041567167	4.046138603
histamine	0.496827824	0.481730203	0.461155947	0.289341289	0.328024948	0.292647293	435.1228893	376.2532436	405.5691903	12.34775725	12.35568205	12.77979099	12.59047273	11.65162507	12.38349027	0.235892144	0.250634802	0.259622756	0.298442046	0.245871299	0.251964146	12.29842456	12.49711684	12.60174104	1.051721986	1.01240249	0.960646597	1.223836474	1.24951825	1.195057346
histidine betaine (hercynine)*	1.029166659	0.971205324	1.160265383	0.876171387	0.8287614	0.98312609	0.254448949	0.266869441	0.238542483	1.088413212	1	1.061475568	1.067282256	1.211615221	1.127322949	0.075905347	0.075905347	0.075905347	1.270048312	1.29614683	1.238609382	1.291080649	1.255435425	1.280342444	0.414868603	0.42947976	0.435586341	0.371952116	0.344356437	0.29101375
histidylalanine	0.74523272	0.830296344	0.736606371	0.05503332	0.050408591	0.051159007	0.029297715	0.014888222	0.013988925	0.274049347	0.32131409	0.366875497	0.417423496	0.363204265	0.420756344	0.096693871	0.107464617	0.103093317	1.05335069	1.10852313	1.091149174	1.937864393	2.063570679	2.128184745	1.081943402	0.985558599	1.071438941	1.25350212	1.290446037	1.268805472
homocysteine	0.149666361	0.149666361	0.149666361	0.978827933	0.835659382	0.677445173	0.362050806	1.021172067	1.170490734	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.149666361	0.445312174	0.446041427
homostachydrine*	0.29293525	0.39311924	0.722100544	0.359641018	0.428885693	0.644162522	1.011468469	1.044480689	0.902401517	26.26467946	25.58681375	25.79889606	28.39985538	33.79780336	27.66372657	0.343935145	0.718096141	0.29293525	0.414529619	0.353936511	0.298864723	25.01050754	24.18469746	27.16015523	0.865564867	1.173566441	0.987734507	0.893788515	0.914835734	0.94190884
hydroxyproline	0.683266703	0.709523747	0.72142444	1.131117988	1.093128775	1.148871655	1.103894357	0.929146858	0.845382558	3.562746996	3.615400332	3.783037615	4.284963452	4.032856797	4.009013229	0.326226627	0.354018458	0.314338908	0.485424519	0.484076393	0.503812751	2.296550191	2.448482521	2.390838326	0.906856146	0.834928959	0.834170362	0.923382595	1.168946488	1.001469985
hypotaurine	0.117079135	0.117079135	0.117079135	0.117079135	0.117079135	0.117079135	1.112749505	1.101365711	1	8.239315709	7.570686874	7.477191653	7.074645082	7.418576882	6.935978645	0.254027957	0.25165131	0.232066362	0.117079135	0.117079135	0.117079135	8.536153162	7.709344126	7.605840581	0.117079135	0.161970206	0.117079135	0.483568415	0.551791957	0.574705359
hypoxanthine	0.896516384	0.997302588	0.910444041	0.524752737	0.548232883	0.543284068	0.94671251	0.793780323	0.880810194	3.195795253	3.622552237	3.548387612	3.400528871	3.300341321	3.521644576	0.323366539	0.366294136	0.35629734	0.540680022	0.525217848	0.522340826	3.135878024	3.048464633	3.449113467	1.067229082	0.931459816	1.103523488	1.045720181	1.115313105	1.130938183
imidazole lactate	2.703444785	2.181840647	2.487343983	1.499775752	1.580820607	1.506491224	5.394139278	5.512018545	4.56596807	0.198580375	0.152424167	0.188662151	0.165159922	0.250732922	0.211052333	0.480426708	0.500807849	0.559040107	1.222849195	1.132153334	1.245256051	0.219566921	0.198685551	0.159381203	1.066402671	1.218674632	0.981240971	1.106497125	1.122505747	1.189466366
imidazole propionate	1.442018948	1.709151249	1.356059266	2.501904761	1.574762776	2.508763136	0.735873869	0.689270879	0.803844901	1.005254989	1.364445623	1.22657722	1.283251994	1.264416362	0.894820083	1.384905032	1.318891639	1.673330447	0.794281495	1.300758822	1.626322461	1.13644902	0.82831064	0.699692649	1.191423191	1.106084756	0.859049549	1.335401627	1.512360202	1.120196067
isoleucine	1.208363725	1.146569675	1.227754768	1.171763681	1.1383352	1.129459713	1.237288254	1.226295109	1.165441717	1.270093458	1.1814345	1.135295857	1.133863119	1.224784957	1.109810601	0.93072463	0.913039509	0.917945654	1.031940346	1.034945836	1.010957533	0.887001943	0.818301134	0.823311776	0.877432207	0.970021424	0.916690798	0.883416694	0.989042467	0.967657437
kynurenine	0.386858781	0.386275922	0.370897726	0.811312644	0.896755793	0.863614121	0.931165107	0.803325546	0.886537744	1.09695985	1.110181775	1.162869794	0.940721611	1.006090204	0.993909796	0.399687433	0.421065208	0.445084515	0.389928042	0.369787298	0.358520841	1.399588153	1.297099322	1.32502588	10.07764548	10.20843667	9.809679855	1.679515271	1.7221463	1.716756343
lanthionine	0.7599423	0.819292691	0.791840188	0.954058581	1.539829883	0.811629431	1.973175121	1.100683452	1.646179293	1.324377837	1.981514552	1.176372885	1.677799777	1.024297043	1.25379262	0.399893893	0.399893893	0.399893893	1.092382164	1	0.623505057	0.399893893	0.53717028	0.399893893	0.898616105	1.077669398	1.001359275	1.518286065	0.928873847	1.871146264
leu-val-val	0.109747081	0.113742931	0.124364522	0.307291744	0.245408119	0.272063914	0.095073052	0.093031344	0.091733953	1.260130887	1.314835284	1.291264975	1.350527796	1.488841443	1.444626462	0.08731927	0.075525028	0.059018708	0.763296919	0.863676016	0.837406836	1.560353687	1.563021166	1.5274852	1	1.088830208	1.167301525	0.994954589	1.044599118	1.118592142
leucine	0.99382241	1.09177596	0.970652662	0.96792925	1.014724362	1.013436838	1.379465542	1.22327981	1.366909962	0.931836478	1.053243441	1.090934535	1.046376575	0.937339432	1.029471381	0.529043699	0.603202918	0.600066761	0.920295503	0.922088963	0.526203602	0.785442387	0.898498845	0.890976318	1.299275837	1.187651003	1.24402041	1.232839543	1.249044029	1.225654482
leucylalanine	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.806171137	0.81421991	0.843043721	0.806171137	1.187654733	1.071924928	1.198681423	0.896382087	0.911589842	0.977774511	0.93269195	1.045690841	0.954461162
leucylglutamine*	0.085517712	0.029047014	0.052784646	0.074271759	0.070321309	0.051556008	0.026064735	0.006751363	0.040387995	0.296543765	0.194813825	0.270103671	0.625964378	0.598747449	0.52238154	0.03006923	0.029265766	0.031836932	1.381697849	1.420893609	1.374035622	3.22439417	3.207681307	3.294526069	2.110599682	2.036170077	2.218703285	1.84351127	2.008422935	1.969246979
leucylglycine	0.062759354	0.062255638	0.060818479	0.009364364	0.009364364	0.075347697	0.027320757	0.03069051	0.029979527	0.009364364	0.009364364	0.009364364	0.009364364	0.009364364	0.009364364	0.009364364	0.009364364	0.009364364	1.285105478	1.216747048	1.310150061	0.659721279	0.720513581	0.736582408	1.306783771	1.523751533	1.505769571	1.35333596	1.383487683	1.404354309
lysine	1.021776215	1.134528377	0.979686632	0.961990941	1.018353729	0.981646271	2.030101368	1.643493112	1.857079733	0.617091682	0.640697517	0.645124844	0.614924739	0.58791385	0.59095292	0.405018827	0.432942763	0.428262249	1.077785372	1.058121841	1.05559811	0.549285601	0.567908988	0.564850846	1.768333792	1.70181312	1.776484386	1.658208322	1.684436277	1.690462171
lysylalanine	1.008492846	1.012321107	0.991507154	0.14673621	0.16027907	0.14666744	0.019479848	0.016888646	0.021057858	0.658277649	0.721196942	0.697652378	0.905490096	0.815724463	0.885071064	0.275241482	0.311660675	0.313807806	1.196880467	1.223058057	1.184162091	2.154144057	2.311986579	2.297168943	1.766004853	1.675443676	1.767945993	1.630526363	1.880465882	1.813095139
lysylleucine	0.96069465	0.927931869	0.929990778	0.312669703	0.348479168	0.292147149	0.021660459	0.019673478	0.019343941	0.994683934	1.108540309	1.087471326	1.191534537	1.059307394	1.184759937	0.454767332	0.482056115	0.496224468	1.115314433	1.104450322	1.114465761	2.162872398	2.178860311	2.241102177	1.185911246	1.217057623	1.24176677	1.117850239	1.270259692	1.316311253
maltol	0.576170147	0.925624385	1.034007453	0.695118466	0.774757909	0.886769133	0.046893386	0.046893386	0.317347446	0.197945337	0.046893386	0.046893386	0.046893386	0.046893386	0.062122459	0.046893386	0.046893386	0.046893386	0.552555279	0.656835109	0.628125419	0.046893386	0.046893386	0.046893386	0.046893386	0.046893386	0.046893386	0.046893386	0.046893386	0.046893386
methionine	0.00829653	0.008847872	0.009625117	1.149056796	1.142279663	1.179125607	1.730512169	1.605543022	1.635782031	1.740557013	1.768833799	1.748627222	0.792645799	1.669992459	1.664791111	0.558541737	0.583481331	0.588744795	0.979496483	0.96939044	0.985935275	0.562085688	1.294556445	1.309886521	0.19548464	0.204276375	0.196404848	1.090373777	1.149981222	1.128085539
methionine sulfone	2.255983095	2.055031634	2.281696607	0.859977403	0.907204313	0.820580757	1.397905791	1.164497381	1.285515625	0.860242893	0.800408249	0.774692049	0.840183302	1.153972565	1.040851126	0.119389683	0.092597409	0.092597409	0.727715841	0.635029039	0.63978164	0.945550427	0.920546008	1	8.68020395	9.281482198	9.613398691	1.204475416	1.363410957	1.059987888
methionine sulfoxide	2.845203852	2.925234026	2.867061999	0.988939743	1.011060257	1.02224159	1.061811268	0.893885647	0.942863878	0.329817479	0.325222859	0.330538943	0.315434535	0.319397342	0.324953557	0.135380337	0.130408709	0.141064033	1.291488747	1.24610741	1.161185914	0.614942908	0.552955824	0.610980137	3.644037097	3.506763956	3.803350551	1.781186765	1.870485955	2.00009446
N-acetyl-1-methylhistidine*	0.28148253	0.28148253	0.28148253	0.28148253	0.28148253	0.28148253	15.51009747	17.21330149	16.5201664	6.353252767	4.141401111	6.224103329	4.800078086	5.910005229	5.293976223	0.28148253	0.28148253	0.28148253	0.305129675	0.28148253	0.28148253	4.991864944	5.036099739	1.724992637	0.725451561	0.28148253	0.28148253	0.727275841	0.28148253	0.639253758
N-acetyl-3-methylhistidine*	0.058170783	0.058170783	0.058170783	0.058170783	0.058170783	0.058170783	0.058170783	0.058170783	0.217634567	1.377121068	1.014890388	1.055931083	0.985109612	1.44335292	1.164476607	0.058170783	0.058170783	0.058170783	0.058170783	0.058170783	0.058170783	1.38463273	1.0457338	1.305809085	0.166949364	0.058170783	0.058170783	0.058170783	0.204542166	0.117696996
N-acetyl-cadaverine	0.158136032	0.158136032	0.158136032	0.158136032	0.158136032	0.158136032	10.00561051	8.677166604	9.082509474	0.621022809	0.782505488	0.670208612	0.631754679	0.801103991	0.515272172	0.205496039	0.158136032	0.161635925	0.158136032	0.158136032	0.158136032	0.158136032	0.158136032	0.229441128	1.542479158	1.381604045	1.570018564	1.378613425	1.616069013	1.192515399
N-acetylarginine	0.983321143	1.035630705	0.963001537	0.923016132	0.921959262	0.96870589	11.451407	10.533245	10.38665176	0.279707108	0.262150726	0.265567344	0.273055687	0.310669891	0.276818308	0.292371506	0.290870079	0.279372284	1.187205087	1.152591268	1.104829675	0.217189529	0.206807996	0.196489903	1.383112169	1.465166131	1.451767616	1.283087033	1.289778781	1.319209206
N-acetylasparagine	1.640823244	1.785982198	1.777713048	2.165881782	2.283230021	2.327969776	3.408080771	2.781858472	3.209128117	0.289980661	0.218401996	0.238184063	0.260142103	0.2797236	0.267174986	0.866486195	0.720227651	0.817897499	2.089045369	1.200404182	1.90742651	0.235266391	0.219064734	0.21797087	1.070695843	0.989759138	1.082860497	0.975692768	0.951169371	1.071625454
N-acetylcarnosine	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	1	0.258404415	0.844602876	0.25602045	1.200118325	0.913508224	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.467526891	0.25602045	0.552698125	0.25602045	0.25602045	0.25602045	0.25602045	0.25602045	0.294241287
N-acetylcysteine	1.053817252	1.01305088	1.125931725	1.624363686	1.666878485	1.580794547	0.98694912	0.917375414	0.790435306	0.264555664	0.069924448	0.297606766	0.290760957	0.417134807	0.329543312	0.911546968	0.736153743	0.776509155	1.360896167	1.205428684	1.297911553	0.057614669	0.057614669	0.057614669	0.057614669	0.226452608	0.057614669	0.198520016	0.235841298	0.240871066
N-acetylglutamine	0.832916332	0.786992638	0.901429984	1.057554645	1.079530724	1.03975262	3.040005469	3.069966216	3.177878486	0.58875021	0.498705696	0.526356879	0.589483059	0.589134523	0.631314047	1.239083389	1.025222575	1.177375061	0.747241934	0.49406527	0.506990489	0.490020407	0.523336896	0.493584986	0.862794453	1.187206047	1.10941637	1.243471819	1.213454851	1.245917391
N-acetylglycine	0.88370787	0.784599121	0.969200417	2.230209654	2.231521629	2.114051726	2.501927153	2.499448728	2.530467609	0.514968876	0.493151201	0.514560439	0.493966393	0.53773729	0.48473996	0.67009826	0.789097979	0.694965028	0.921670736	0.856927852	0.932352203	0.494937649	0.522208733	0.464682163	1.413918623	1.394437659	1.275621921	1.162175395	1.277524633	1.14910228
N-acetylhistamine	0.444130246	0.554173446	0.781482366	0.977620031	0.878694845	1.000577583	1315.273856	1095.091147	1191.970589	63.94270815	64.99450294	61.89909609	55.93809842	59.10505267	58.90343798	0.81122515	0.877794763	0.813120059	0.243422935	0.580552767	0.243422935	2.251556467	1.853643783	1.982862005	0.999422417	0.875499008	0.595063397	0.717653082	0.808065753	0.65324075
N-acetylhistidine	2.238693475	1.990580349	1.923255304	1.58027095	1.523068904	1.565577455	33.86285793	33.1641967	31.76305457	0.167736093	0.151497116	0.148741338	0.068508526	0.271180852	0.227377574	0.434272526	0.410684446	0.457607677	1.433915779	1.460965885	1.412176479	0.068508526	0.068508526	0.068508526	0.924516149	0.997216139	0.99098058	0.846550286	1.055647324	1.050894559
N-acetylmethionine sulfoxide	0.957622811	0.968914696	0.934367915	0.411501007	0.533580602	0.551423826	1.555260036	1.492263493	1.47598307	0.974450738	0.929983017	0.958276972	0.958853043	0.989461261	0.941802571	0.524630548	0.553303977	0.534735738	0.588000701	0.562081135	0.537580414	2.100935005	2.067802704	1.983988402	2.716058434	2.678452416	2.682631735	1.735754302	1.825897524	1.78573212
N-acetylneuraminate	0.395946101	0.327741518	0.476748387	1.48211175	1.365932616	1.411451993	0.020565207	0.078869608	0.07821371	0.020565207	0.091510668	0.020565207	0.290672674	0.254408696	0.181294322	0.020565207	0.020565207	0.020565207	0.336102004	0.576911361	0.677872531	1.280889221	1.258394115	1.362431339	1.020795883	1.108114913	1	1.202192481	1.240693741	1.362653122
N-acetylproline	1.029828484	0.953988999	0.911942604	1.350100926	1.195669144	1.437908711	1.654919672	1.665915612	1.529071914	0.361968151	0.331819424	0.314173363	0.316828777	0.384663798	0.33592427	0.502067559	0.501888154	0.49383683	1.553437616	1.598869784	1.12685133	0.300924431	0.255702708	0.298919167	1.499811574	1.340493192	1.360815274	1.384333806	1.414754291	1.361565046
N-acetylputrescine	0.978306459	0.995429373	0.93735323	1.040732235	1.004570627	1.029090029	1.982355435	1.842128627	1.853979293	0.31505297	0.338928019	0.330077087	0.367905933	0.388054151	0.352982151	0.590546904	0.566415081	0.563312374	1.103451664	1.06778551	1.058576841	0.379742275	0.3414732	0.334144439	1.351963632	1.443925854	1.397741906	1.399613206	1.321817011	1.468058178
N-acetylserine	1.06263207	0.939998443	1.072934131	1.835170766	1.799542288	1.584319421	1.623169763	1.265038123	1.458473014	0.813694323	0.736452505	0.755582866	0.729838381	0.947351971	0.846225783	0.417783173	0.391983617	0.536285566	1.039769803	1.005771213	1.193534217	0.627007772	0.691707693	0.662940864	0.914903837	1.373899292	1.232302243	1.003123689	1.243316606	1.238245873
N-carbamoylalanine	1.618976355	1.922348461	1.669450891	2.481416743	2.450467482	2.531061104	1.313118503	1.152288558	1.164602104	0.415902592	0.400491729	0.381503099	0.443674427	0.281424654	0.292191634	0.525277771	0.489281096	0.516065727	1.96049909	1.795654768	1.795197634	0.179481403	0.122250677	0.266725001	1.090428496	1.157081101	0.992427484	0.978859907	1.027625668	0.975733496
N-glycolylneuraminate	1	0.69444735	0.779780607	1.279627298	1.201342621	0.791825236	0.240120627	0.240120627	0.240120627	0.302327763	0.240120627	0.240120627	0.365884012	0.240120627	0.240120627	0.240120627	0.240120627	0.240120627	1.695947969	2.105248919	2.076892277	2.037569575	2.033464517	2.081917185	0.635508389	0.603021438	0.628726747	0.715106107	0.933868169	0.851417111
N-methylproline	1.13756206	0.740307789	1.008251929	0.876160978	0.991748071	1.09241119	0.643915644	0.829642531	0.628181699	4.077889397	4.015548877	4.974882891	5.475488166	5.115636765	6.163925771	0.145762715	0.290471906	0.145762715	1.549330913	0.923307533	0.636201293	3.868572408	4.783143312	4.066862256	0.903621475	0.872110323	0.78492669	1.64199607	0.678338206	0.145762715
N-monomethylarginine	0.966721827	1.067027398	0.750701849	1.030893872	1.084628171	1.047290638	1.63668195	1.173506468	0.598570165	2.736570288	2.632404649	2.615779283	2.826607298	2.827069825	2.563267907	0.812085948	0.797223298	0.822701936	1.047738244	0.969106128	0.841841622	2.090133459	2.202502011	2.010904801	0.825014034	0.895308157	0.677243845	0.657756732	0.704600564	0.539361485
"N,N-dimethyl-pro-pro"	8.168868235	8.581585207	8.182093985	8.247651785	8.964228829	8.244213623	1.328285342	0.969388382	1.200791236	0.238503723	0.191953343	0.196842163	0.292904993	0.184468403	0.468629301	0.225947697	0.184468403	0.184468403	5.935208921	5.98123631	5.595064992	0.557938026	0.4449338	0.184468403	0.984173155	1.211438987	1.095137294	1.326255203	1.621565524	1.483068729
"N,N,N-trimethyl-5-aminovalerate"	0.851002554	0.932078046	0.957138109	0.94584278	0.943678255	0.98459228	2.144398396	1.751181051	1.775351915	0.646310563	0.654759799	0.688216781	0.665737118	0.645957058	0.676336927	0.364939424	0.360144644	0.332929699	0.956418789	1.025375817	1.043932048	0.560445625	0.605318575	0.624524369	1.982579374	2.011605338	2.01848114	1.752592813	2.093801254	1.856333029
"N,N,N-trimethyl-alanylproline betaine (TMAP)"	0.508795896	0.054941148	0.289130155	0.545316047	0.231969362	0.185959266	0.054941148	1.088712273	0.054941148	1.358915007	0.054941148	1	1.110721338	0.716569341	1.110176967	0.054941148	0.054941148	0.054941148	0.263317522	0.496277245	0.384900976	0.054941148	0.801939496	1.320156471	0.054941148	1.114724008	0.846383472	0.428528864	0.054941148	0.864013211
N(1)-acetylspermine	3.941070043	3.891935369	3.848895517	3.014681288	3.045564078	3.081545592	1.596128433	1.286192719	1.310321586	1.015098346	1.012546657	1.004364682	0.974365348	1.030693345	1.001107345	0.145929423	0.138263185	0.15552921	0.763288262	0.707167863	0.666851922	0.554570162	0.619041036	0.535755064	1.029026974	1.075647197	1.098065008	0.826080663	0.833561645	0.825509069
N1-methylinosine	0.174746818	0.174746818	0.174746818	0.3120862	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.174746818	0.648823965	0.548193762	0.554751321	2.199287068	2.126612509	1.995304464	1.01569311	1.144547131	1.261839406	0.848718215	0.884658296	0.963273113
"N1,N12-diacetylspermine"	1.572358232	1.464492696	1.57500416	1.737680305	1.787419095	1.665408522	0.138504163	0.138504163	0.138504163	0.535069966	0.535507304	0.521559376	0.463193259	0.499165148	0.489045467	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163	0.138504163
"N2,N2-dimethylguanosine"	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	0.23632419	1.357664428	1.0247721	1.027098868	3.046973145	3.063301641	3.264758168	0.769209745	1.133566655	0.842619041	0.9752279	0.70697716	0.715292575
N4-acetylcytidine	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	0.363225048	1.190927878	1.445878682	1.036806861	2.256019459	1.505113736	1.584082771	0.876230269	1.056333131	0.967132108	0.785140287	0.937030676	0.947839136
N6-carboxymethyllysine	1.64212515	1.384185669	1.552068711	1.498253942	1.433895916	1.486557513	0.996210028	1.102119075	1.003789972	0.065390268	0.028875849	0.067311609	0.028875849	0.084656651	0.028875849	0.044565596	0.037409958	0.049693949	1.423857806	1.525181241	1.552748811	0.120409211	0.095068593	0.11362425	2.516089802	2.958296107	2.498927601	1.261291083	1.194241971	1.413898564
N6-methyladenosine	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.111352495	0.126541138	0.114307864	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.049980122	0.869267171	0.84542109	0.852025677	2.359412612	2.236501629	2.194509898	1.101855981	1.036858372	1.07778012	1.01261566	1.039671691	1.107943204
N6-methyllysine	0.926669997	1.153298008	0.986310855	1.083001433	1.058416655	1.137481391	1.450754127	1.402079176	1.394941869	0.786553324	0.823143127	0.93539474	0.970153162	0.949379752	0.906359188	0.892891832	0.795759691	0.886100749	1.064311183	1.012305146	1.07623273	0.894073737	0.92712096	0.879680508	1.008394409	1.164914288	1.232407504	1.128026826	1.019904606	0.942664314
"N6,N6-dimethyllysine"	1	0.33617996	0.485711116	1.173596906	0.33617996	0.33617996	2.138974368	1.945895606	1.817078825	0.881123135	0.33617996	0.738817945	0.33617996	0.838592362	0.33617996	0.98973527	0.996710751	1.059727776	0.33617996	0.33617996	0.33617996	0.33617996	0.406379861	1.246598572	0.33617996	0.33617996	0.33617996	0.33617996	0.33617996	0.33617996
"N6,N6,N6-trimethyllysine"	1.083083239	1.220053704	1.023053675	1.034105999	1.088165556	1.009054259	1.453092342	1.26551628	1.337024633	0.717614736	0.800622742	0.755380776	0.844618548	0.772761685	0.78896858	0.624904374	0.646934231	0.622042679	1.036759	0.969775546	1.021624139	0.635329564	0.660258587	0.646530847	1.073348983	1.042692504	1.091380301	1.023559899	1.060008452	1.087228952
NAD+	1.238168859	1.12896156	1.362587976	6.530561788	6.917313235	6.786700121	5.596125869	4.176626807	4.765310402	0.67640192	0.573114104	0.603309724	0.774126139	0.641273994	0.627132511	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429	0.089162429
nicotianamine	1.801053351	1.513150702	1.747597066	1.8955588	2.035366115	2.027539498	0.846918656	1.044889245	0.702222546	1.143584499	0.916065362	0.901747898	0.738500446	1.134196461	0.879639629	0.218099421	0.136919995	0.153381256	1.681505483	1.808249385	1.670448364	1.071928087	0.789786535	0.812698011	0.881636512	1.263431244	0.955110755	0.770600478	0.794746721	0.882353407
nicotinamide	0.051094328	0.048359632	0.055515046	0.087733492	0.087411494	0.116906527	0.006928043	0.007209738	0.019838493	0.006928043	0.006928043	0.006928043	0.006928043	0.006928043	0.006928043	0.248233684	0.210895339	0.158410216	2.191376556	2.251462348	2.3005177	1.046033721	1.046338471	0.92878083	1.659129149	1.880433791	1.749304456	1.617762914	1.766067404	1.715566502
nicotinamide ribonucleotide (NMN)	0.568734366	0.568734366	0.568734366	1.071191908	0.952308334	0.97012551	4.193882477	6.046375126	4.081373151	0.568734366	0.568734366	0.568734366	0.966505025	0.953460306	1.117764515	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366	0.568734366
nicotinamide riboside	0.126871963	0.126871963	0.126871963	1.008615584	0.966594711	0.988251476	4.951031896	4.708891945	4.583408155	0.126871963	0.126871963	0.126871963	0.126871963	0.18815787	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963	0.126871963
nicotinate	3.115369028	2.722023958	3.022185218	2.446518599	2.538295195	2.39705634	1.557094528	1.546529962	1.330317949	1.085369698	0.980924378	1.034473377	1.000279383	1.080271678	0.979427046	1.536627859	1.315648904	1.393421167	1.749703205	1.881543721	1.74996223	0.237231541	0.223004557	0.202130197	0.959188739	1.149539664	0.969399597	0.882134258	0.91745325	0.959331694
nicotinate ribonucleoside	0.243543321	0.243543321	0.317725589	0.254014335	0.345490887	0.271339208	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.492578332	0.844876239	0.450509786	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321	0.243543321
o-tyrosine	1.036288625	0.951996301	1.008333126	2.680532931	2.736722958	2.646762604	1.433085955	1.440901657	1.381268301	0.406362027	0.425762647	0.440401371	0.417505197	0.445708201	0.426971668	0.320490236	0.29570968	0.310202779	0.775078752	0.763352719	0.759542733	0.350449495	0.327328096	0.315045402	1.667671253	1.804402067	1.612664946	1.311683748	1.359996964	1.382917085
ophthalmate	0.047662366	0.047662366	0.047662366	0.047662366	0.047662366	0.047662366	1.305081768	1.412279403	1.313982396	0.208621101	0.159631475	0.171386463	0.181336454	0.228287461	0.201417037	0.870372727	0.840477282	0.893387385	1.384158487	1.420492237	1.316901651	0.215378726	0.079142626	0.230620546	1.3237412	1.46118462	1.29925191	1.340978008	1.384683352	1.368883436
ornithine	1.12397599	1.009587522	1.084024707	1.331311895	1.363483404	1.319272198	2.557098677	2.223363181	2.348414004	0.446477517	0.436854195	0.445041178	0.435132007	0.467554908	0.450076579	0.583002171	0.610391866	0.600150086	1.291636459	1.257515673	1.237367049	0.542043673	0.511019517	0.527380194	1.585526764	1.615049977	1.56803341	1.469148119	1.51465225	1.540729619
oxindolylalanine	0.815700269	0.775501893	0.769000755	1.904439117	1.97445453	1.921965944	1.26335992	1.122083	1.238391426	0.995458889	0.994886287	1.006649695	0.561216667	0.561216667	0.561216667	1.047645645	1.128821445	1.129824679	0.561216667	0.561216667	0.561216667	0.561216667	0.561216667	0.561216667	0.945276437	0.872771885	0.919839375	0.561216667	0.561216667	0.561216667
p-aminobenzoate (PABA)	1.228390695	0.877249319	1.223593271	0.916749004	1.102773786	0.833040785	1.234625288	1.142811162	1.043473108	0.642383255	0.505023853	0.384801316	0.368187795	0.633891858	0.252200665	1.083425651	1.035861852	1.055919214	0.99315723	1.204774095	1.197043699	0.563048919	0.642297798	0.264447164	0.961392931	1.106968023	1.036121341	1.247539847	1.512754249	1.512265836
phenylalanine	0.894386481	0.911585986	0.884103285	0.883764386	0.874564962	0.885924863	1.244289537	1.132222077	1.199478044	0.991515727	1.047548443	1.060967651	1.012349846	0.991723845	1.025161725	0.56733548	0.594646192	0.612927997	0.937194105	0.953944556	0.956919011	0.878782579	0.926972773	0.927859594	1.271288611	1.202503662	1.244946379	1.177420802	1.240923946	1.229959935
phenylalanylalanine	0.202539005	0.120728611	0.136254727	0.120728611	0.120728611	0.120728611	0.120728611	0.120728611	0.120728611	0.120728611	0.120728611	0.120728611	0.128940932	0.160052956	0.120728611	0.120728611	0.120728611	0.120728611	0.992815305	0.994049615	1.053199679	3.202832169	2.805770348	2.680799856	0.93982831	1.197933824	0.856309206	0.934234605	0.904258618	0.978168061
phenylalanylglycine	1.048257207	0.86646492	1.030815299	0.086926662	0.083910944	0.086380285	0.04022931	0.04022931	0.04022931	0.052992544	0.04022931	0.058870314	1.103991041	1.070544731	1.050752402	0.071153173	0.070817444	0.066939756	1.045601865	0.958486852	1	2.862014936	2.723420034	2.671347648	0.892577597	1.014669363	0.956400122	0.913338999	0.92645594	0.870282767
phosphate	1.069194289	1.083174877	1.020326864	1.031820906	1.084728165	1.033376538	1.161683144	0.963595912	1.037711922	0.232432746	0.237082285	0.239200584	0.227650152	0.232387215	0.223259654	0.136308761	0.139042205	0.147634643	1.06853933	1.015857643	0.997911449	0.298728363	0.281287435	0.282621346	1.091701146	1.024978365	1.085002735	1.002088551	1.043256386	1.035862231
phosphocholine	0.487896391	0.501703859	0.475603207	0.448399906	0.450300065	0.470603559	0.954767411	0.887873502	0.900711224	3.239155992	3.259708319	3.321181401	3.041731089	3.137220093	3.096720107	0.111051465	0.115713705	0.116571377	0.591260637	0.594756527	0.55328218	4.154487902	4.175704204	4.077731676	1.086060833	1.109511099	1.059607334	1.045232589	1.089435673	1.098642595
phosphoethanolamine (PE)	0.071936939	0.071936939	0.155262315	0.301754943	0.336587113	0.334905044	1.409048932	1.252173654	1.337416996	5.105364401	5.131359664	5.112139478	4.763418227	4.955447955	4.712030167	0.0905311	0.071936939	0.098033346	0.177619221	0.127114443	0.152831404	5.41856118	5.627838471	5.603859492	1.059510363	1.014372813	1.064667764	0.923793025	0.986808561	0.973410123
picolinate	0.91556553	1.184332377	1.541443765	1.542431317	1.665991479	1.761810855	1.105696999	1.010677854	1.120371975	0.425370207	0.423613698	0.375445434	0.419343653	0.266817857	0.383409694	0.514702945	0.411685686	0.414512931	1.183652085	1.606615797	1.004212817	0.662511831	0.334353181	0.384149311	1.107137543	1.121506548	1.145068209	0.980130458	1.107522182	0.995787183
pipecolate	0.950603014	1.020768692	0.938981411	1.00894649	0.998449339	1.031076755	1.285054229	1.114808234	1.12436751	0.33451193	0.332626718	0.335553149	0.355130323	0.375332049	0.363892192	0.503303288	0.526686144	0.509697057	1.060793449	1.038551843	1.062666655	0.319325475	0.311676069	0.32247716	1.147547715	1.14659074	1.174234992	1.001550661	1.107357085	1.167498375
proline	1.208943195	1.128868736	1.205504048	1.684812603	1.711714185	1.706998638	1.662456604	1.576007823	1.562583508	0.76562017	0.810782855	0.822844202	0.851608082	0.812256053	0.849724244	0.506205102	0.497673185	0.488955521	1.040515506	1.069407513	1.001236125	0.625146289	0.664025851	0.663854449	1.103772632	1.155868279	1.096898746	1.034232501	1.056453297	1.104841953
prolylalanine	0.775614378	0.779732272	0.772214916	0.977214165	0.993712599	0.975134566	0.933274934	0.829043796	0.858418392	0.1127794	0.106868894	0.112352927	0.027726798	0.027726798	0.0285832	0.05291888	0.051337175	0.045238236	1.07210446	1.043285764	1.053149803	1.76340827	1.728876975	1.683873449	1.284920553	1.262562205	1.251552691	1.194973636	1.305542195	1.284265401
prolylglycine	0.786572029	0.689850837	0.787971288	0.99388615	1.125914261	1.215564233	1.537031438	1.470990526	1.312749636	2.242595251	1.970080511	2.013593078	1.301044929	1.447548119	1.330721285	0.148450521	0.124232651	0.131280393	0.642703816	0.642569755	0.592653429	2.585163574	2.370851511	2.525922647	1.134412708	1.120124113	1.090579062	0.998558499	0.964724651	1.036746464
prolylhydroxyproline	0.605255544	0.384776455	0.639808483	0.74813444	0.744049622	0.683527794	1.455753515	1.1955457	1.026452907	1.918497889	2.273564376	2.031555021	1.907563992	1.897678017	1.761570028	0.319299432	0.302200936	0.305382823	0.108791129	0.108791129	0.313389264	1.874319616	1.949668051	1.742798026	0.894234845	1.067794959	0.935105727	1.452322765	1.289543204	0.947329769
prolylproline	3.531293583	3.945925004	3.906496951	2.488553129	2.740928139	2.653104037	27.16333578	24.80162299	26.29947485	0.563912977	0.436992078	0.504050612	0.181045287	0.182498098	0.199001158	0.365210089	0.346431109	0.320482351	1.288896748	1.361563045	1.376338116	0.057523337	0.050634033	0.058079252	0.526239216	0.621958981	0.494235895	0.875413356	0.90104518	0.990249608
putrescine	1.52243869	1.495365331	1.459139292	1.660669425	1.663485249	1.663165474	0.526351297	0.506463351	0.445705111	1.041756817	0.992645552	0.968930081	1.007356452	0.976655051	0.949637077	0.447726509	0.482627588	0.609645399	1.689270736	1.656841899	1.659780521	0.950516959	0.869817895	0.928969241	1.304027397	1.393640062	1.199329926	1.063678943	1.132572147	1.151607276
pyridoxamine	1.087676151	1.297136539	1.210000653	1.181522161	1.093245898	0.947859647	2.059824857	2.295980789	2.06501704	0.277034903	0.292827046	0.36604671	0.199758308	0.259832434	0.264659315	1.335601886	1.348866203	1.343822263	1.415860005	1.433718224	1.440724651	0.258449011	0.325380771	0.248446783	1.154269514	1.168260406	1.141643742	1.709065164	1.710732629	1.664481753
pyridoxine (vitamin B6)	1.75952822	1.895804839	1.650925101	1.765669985	1.742244774	1.757195589	1.437082447	1.180332761	1.368238721	0.387754719	0.374834794	0.350285099	0.429227713	0.392874053	0.396129824	0.823242983	0.838065698	0.892208021	1.946431087	1.942803488	1.867688476	0.373818994	0.344279327	0.372719688	0.786088995	0.869835075	0.888781845	1.107791979	1.240892702	1.173472675
pyroglutamylalanine*	0.8830846	1.100353586	0.942904349	0.783144501	0.9841746	0.774723752	2.701306122	2.408844547	2.350209698	0.530160343	0.752601867	0.745022434	0.663114951	0.624170739	0.767586798	0.069518666	0.073956439	0.070597391	0.94834329	1.0158254	1.059019225	0.754201407	0.768962473	0.901329448	1.577385686	1.288590472	1.625024044	1.406189081	1.351569686	1.413530728
pyrraline	2.539283551	2.264487482	2.331696197	5.65548247	5.771652193	5.55835829	1.235125253	1.084558732	1.22971311	0.667410039	0.606012386	0.588236708	0.609844557	0.465478694	0.260361887	0.409799366	0.392885313	0.443831592	2.564644571	2.532671217	2.325216835	0.202117311	0.286136546	0.188762123	0.752917491	1.089627894	1.098035608	1.235984916	1.354203697	1.232050194
riboflavin (vitamin B2)	0.184359527	0.184359527	0.184359527	0.184359527	0.184359527	0.209693121	2.312409433	1.705239601	1.453302375	0.184359527	0.184359527	0.184359527	0.184359527	0.184359527	0.184359527	1.024821663	0.664483733	0.762690575	0.522639662	0.706705458	0.839544577	0.184359527	0.184359527	0.184359527	0.184359527	0.184359527	0.184359527	1.37022967	2.040319467	1.768042073
S-1-pyrroline-5-carboxylate	0.385692386	0.385692386	1.489454066	1.581768515	1.69519429	0.385692386	2.487241477	2.095291438	2.535736374	0.385692386	0.385692386	0.385692386	0.495609567	0.385692386	0.385692386	0.385692386	0.385692386	0.385692386	0.385692386	0.740737215	1.201064183	0.871811585	0.623834117	0.903083171	0.841355128	1.022484465	1.06460427	0.385692386	0.385692386	0.385692386
S-carboxyethylcysteine	0.684064776	0.593785299	0.67235788	3.718485339	3.917942418	3.561306342	1.685397353	1.428316737	1.453963635	0.990383064	0.950119463	1.043654904	0.968416368	1.01882525	0.965355605	0.388477375	0.481422005	0.546249785	1.598673149	1.597207835	1.612345075	0.753621642	0.789484095	0.733570525	0.996387468	1.000806834	1.051772692	1.279255527	1.193611439	1.298164063
S-carboxymethyl-cysteine	0.931793256	0.794297703	0.777212088	3.78393556	3.727712222	4.237918475	1.846669626	1.692690012	1.579916883	1.057004625	1.014587697	1.030239118	0.87320038	0.967046551	1.069288809	0.574051726	0.586794411	0.588965876	1.334500985	1.314018788	1.337053923	0.864507184	0.792551728	0.841303319	0.980519171	1.028870948	1.007240662	1.028892956	0.992759338	1.019271752
S-methylcysteine sulfoxide	2.463068853	2.850655823	2.391605599	0.201985676	0.249915347	0.147699031	0.147699031	0.147699031	0.147699031	0.555490956	0.616578606	0.552599971	0.523690112	0.583455255	0.641859559	0.147699031	0.147699031	0.147699031	0.147699031	0.147699031	0.147699031	0.779882572	0.874831492	0.729253583	1.108956626	1.216063659	1.185444765	0.147699031	0.147699031	0.147699031
saccharopine	1.248045075	1.193168198	1.223054638	1.043546781	1.303891478	1.108957591	1.124487197	0.950946947	0.969750093	0.486755092	0.493429467	0.475355133	0.583333712	0.520011596	0.577076862	1.232008117	1.313520548	1.343150445	1.43172398	1.434998154	1.377523099	0.497340724	0.493452095	0.534536643	0.890881248	1.136715028	1.008246737	1.049209647	1.064251636	0.985901332
sarcosine	1.041745379	1.054240682	0.971737366	0.279249647	0.279249647	0.279249647	0.279249647	1.675402655	1	1.087901218	0.279249647	0.279249647	0.279249647	1.114562154	0.279249647	0.279249647	0.279249647	0.279249647	1.816939736	0.279249647	0.279249647	0.279249647	0.279249647	0.606267984	0.279249647	0.279249647	0.874613731	1.381996812	0.867812305	0.641373222
sedoheptulose-7-phosphate	1.087679041	1.119771398	1	0.969030786	0.955632016	0.967237831	3.439604939	2.938795053	3.205367148	0.498685846	0.524258369	0.645710662	0.31173723	0.312664269	0.307812596	0.319971068	0.321565372	0.297691571	1.221134451	1.228099978	1.158806361	0.219675129	0.219675129	0.219675129	1.074568061	1.052940547	1.070908294	1.077608953	1.036755567	1.028911391
serine	1.36457998	1.337443595	1.340247025	1.434731306	1.463516562	1.428511883	0.116476105	0.102374743	0.106899594	1.081725627	1.049435581	1.045274674	0.926175277	0.954725326	0.923425292	0.484446526	0.493979541	0.503082381	1.148330155	1.126056079	1.122003236	0.706702178	0.703199936	0.717692153	1.355771538	1.370233964	1.403832119	1.27084806	1.372011865	1.363129936
spermidine	0.588264206	0.552746067	0.562764236	0.337899576	0.339884053	0.343662355	1.377995893	1.189328009	1.253219531	1.006013336	0.996407281	0.990734739	1.035718476	1.089026126	1.046817855	0.376691859	0.398309379	0.397431474	1.00566628	1.017537389	0.994959613	1.061988243	1.003592719	1.045806294	1.15203643	1.190462785	1.212482701	1.042397679	1.115051414	1.103710506
stachydrine	1.035752163	0.948746405	0.912036698	0.965351524	1.167123145	1.123344771	1.029360281	1.087436219	0.930903836	26.8952611	27.03695546	26.17608285	28.60653296	30.2070046	29.490659	0.697654635	0.804162194	0.552684504	1.019703442	0.994901493	1.063315039	25.94097349	25.33061747	26.4931773	0.988937368	1.050167837	0.894700151	0.978644727	0.920751504	0.984639304
taurine	0.035899653	0.018608165	0.025531727	0.051658887	0.049521811	0.050019301	0.215044109	0.188695719	0.194505558	6.808516136	6.747506113	7.015200757	6.639493031	6.703556756	6.548966312	0.106627744	0.136485019	0.123319861	0.021801915	0.015114426	0.019669888	7.260313678	7.450559825	7.371707915	1.580706618	1.569491838	1.611071076	1.347387754	1.432797403	1.471816592
thiamin (vitamin B1)	4.144374326	4.156222882	4.199536232	2.728489284	2.836005167	2.735341381	0.419775571	0.431942789	0.351619915	0.122522043	0.11780157	0.124388495	0.293127701	0.334518834	0.295367444	3.747010974	3.843723629	3.892339011	5.53048377	5.622344218	5.54111714	0.303981005	0.275549479	0.262361119	0.11780157	0.11780157	0.11780157	3.072088861	3.38301671	3.190503857
thioproline	0.069474246	0.069474246	0.069474246	0.753625006	0.776813068	0.733894788	0.265247176	0.281080895	0.281275167	1.416685126	1.395232924	1.288484834	1.050852872	1.145842595	1.135742483	1	0.991482335	0.994670099	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246	0.069474246
threonine	1.280195586	1.308016104	1.242635919	1.320682862	1.323368354	1.345266552	1.071802602	0.914221673	0.875738747	1.107902688	1.111707778	1.111901451	1.010753935	0.99413563	1.00586437	0.464409349	0.454629246	0.477483194	1.150251555	1.100718501	1.077812942	0.691034273	0.709624548	0.673270089	1.604262553	1.594672919	1.668677917	1.490865028	1.592333098	1.606596056
trigonelline (N'-methylnicotinate)	2.137672754	2.062287828	2.019471042	2.125717685	2.162955459	2.105376302	1.0246715	0.954936601	0.907227936	0.288959175	0.293359465	0.318172596	0.296917873	0.314674227	0.310187829	0.39295893	0.415846611	0.418488891	2.267978956	2.038212776	2.170299645	0.290568452	0.295247012	0.288976014	0.999534099	1.010085479	1.000465901	0.929040654	0.988590526	0.968053078
trimethylamine N-oxide	0.925647771	0.951464991	1.034590581	0.984044787	1.165240773	1.122274039	0.498565636	0.492979305	0.49111296	2.182505303	2.222817961	2.094664031	2.371215485	2.528509411	2.532389885	0.177468645	0.112757082	0.158938263	1.176455562	1.260887795	1.155811416	2.054356054	1.974810691	2.28969879	0.389508478	0.458977181	0.447230774	0.432960688	0.352796108	0.319994303
tryptamine	3.445240932	3.681596208	3.450871017	3.237445807	3.136673509	3.420467096	1.485785591	1.339797017	1.36467548	1.03875686	0.991229286	1.002282398	0.976478391	1.00046204	0.99953796	2.426979191	2.377778322	2.268902214	3.957098681	3.752648682	3.604075903	0.613412918	0.580433571	0.625714232	0.565812911	0.598018166	0.547904924	1.272662555	1.409596167	1.34801716
tryptophan	1.03211924	1.000696544	0.995444089	1.022442279	1.017595267	1.000242569	1.65609915	1.546948083	1.570342989	0.972395495	0.960168349	1.005848254	0.958852625	0.961236846	0.969541493	0.48664255	0.468494101	0.490026522	1.106958559	1.097201009	1.114565905	0.688801807	0.690317562	0.695145287	0.984054712	0.999757431	0.994166346	1.290499468	1.337842889	1.349844952
tryptophylglycine	1	0.67188293	1.051476827	0.172955454	0.172955454	0.172955454	0.172955454	0.172955454	0.172955454	0.172955454	0.172955454	0.172955454	1.043273457	1.167508087	1.05989518	0.224821549	0.185668211	0.172955454	0.775635231	0.780529578	0.907410085	2.272071963	1.809036203	1.755537861	0.454502014	0.561311007	0.43288731	0.712247646	0.691630772	0.683850188
tyramine	1.025468868	1.08213263	0.983384858	0.995642634	1.017757429	0.951749253	2.544834892	2.282822672	2.401975586	0.017203777	0.020521008	0.019922837	0.016147647	0.018034456	0.018466531	0.015688796	0.014552596	0.014342075	1.018939247	1.004357366	1.034078786	0.016578115	0.017594819	0.015225343	2.142181101	2.138945963	2.045240393	2.001853178	2.005879392	2.009076746
tyrosine	0.808402423	0.907330771	0.890902331	0.675524788	0.753409311	0.698901271	1.353963999	1.125776065	1.28317066	1.675725299	1.66741777	1.698809877	1.809173993	1.685425936	1.891990822	0.556714837	0.632544194	0.582185127	0.790984306	0.738176705	0.734003419	1.240863647	1.237155215	1.330753924	0.974512801	1.00010323	0.99989677	0.972476452	0.992408999	0.89280374
urea	0.005928424	0.005928424	0.005928424	0.005928424	0.005928424	0.005928424	0.005928424	0.005928424	0.005928424	1.409739218	1.304180498	1.259901025	1.636637695	1.752556983	1.420793475	0.050067941	0.027017473	0.055171097	0.005928424	0.005928424	0.005928424	0.850049478	0.711954406	0.559932591	0.005928424	0.009756658	0.005928424	0.005928424	0.005928424	0.005928424
valine	1.221133414	1.232169961	1.210037119	1.168487498	1.166962102	1.180960511	1.560095596	1.420303047	1.484215155	0.94185957	0.974145251	0.978646937	0.870222435	0.851273974	0.873321431	0.458434274	0.50411459	0.497013783	0.98646967	0.986679595	0.994970175	0.594301169	0.606806054	0.602701582	1.258678305	1.24134561	1.264205752	1.148415787	1.190550621	1.172054417
valylglutamine	0.061102206	0.063914023	0.057370434	0.020950944	0.020067553	0.020028092	0.028209287	0.020322646	0.022835429	0.142358241	0.134693794	0.128733633	1.670089766	1.786052768	1.737435961	0.206896602	0.204225093	0.215539132	1.026510499	1.005911083	1.041993006	3.910978309	3.906286238	3.795508071	1.140935	1.144586719	1.14776131	1.025757076	1.180514418	1.096749244
valylleucine	0.056985885	0.070760188	0.039859762	0.079688762	0.069652016	0.064631769	0.059034169	0.080361028	0.061664189	0.048071784	0.02666633	0.025157658	0.26705094	0.327379735	0.433255818	0.080225058	0.088312614	0.061322448	1.871888227	2.095967696	1.904516445	9.342249077	9.242749999	9.627366079	3.377949879	2.570893584	2.223799254	2.170878338	2.02217399	3.434267159
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
Metabolite_name	Comp ID	KEGG	HMDB	PUBCHEM
(N(1) + N(8))-acetylspermidine	57814	C00612   C01029	HMDB0001276   HMDB0002189	123689;496
1-methyl-4-imidazoleacetate	32350	C05828	HMDB0002820	75810
1-methyl-5-imidazoleacetate	62946		HMDB04988	6451814
1-methyl-5-imidazolelactate	64596			
1-methyladenine	1527	C02216	HMDB0011599	135398646
1-methylguanidine	48114	C02294	HMDB0001522	10111
1-methylhistidine	30460	C01152	HMDB0000001	92105
1-ribosyl-imidazoleacetate*	61868	C05131	HMDB0002331	440569
1,3-propanediol	45434	C02457		10442
2-aminoheptanoate	43761		HMDB0094649	227939
2-hydroxyglutarate	52294	C02630	HMDB0059655	43
2-methylserine	53229	C02115		94309
2-oxoarginine*	55072	C03771	HMDB0004225	558
2-piperidinone	43400		HMDB0011749	12665
2-pyrrolidinone	31675		HMDB0002039	12025
2'-deoxyadenosine	1553	C00559	HMDB0000101	13730
2'-deoxycytidine	15949	C00881	HMDB0000014	13711
3-amino-2-piperidone	62853		HMDB0000323	5200225
3-aminoisobutyrate	1566	C05145	HMDB0002166	64956
3-formylindole	62863	C08493	HMDB29737	10256
3-methylhistidine	15677	C01152	HMDB0000479	64969
3-phosphoserine	543	C02532   C01005	HMDB0000272   HMDB0001721	68841
3-ureidopropionate	3155	C02642	HMDB0000026	111
4-acetamidobutanoate	1558	C02946	HMDB0003681	18189
4-guanidinobutanoate	15681	C01035	HMDB0003464	500
4-hydroxyglutamate	40499	C03079	HMDB0001344	439902
4-imidazoleacetate	32349	C02835	HMDB0002024	96215
5-(2-hydroxyethyl)-4-methylthiazole	27673	C04294	HMDB0032985	1136
5-(galactosylhydroxy)-lysine	43582			66995551
5-aminovalerate	18319	C00431	HMDB0003355	138
5-hydroxylysine	15685	C16741	HMDB0000450	3032849
5-methylcytidine	22119		HMDB0000982	92918
5-methylthioadenosine (MTA)	1419	C00170	HMDB0001173	439176
5,6-dihydrothymine	1418	C00906	HMDB0000079	93556
5'- GMP	2849	C00144	HMDB0001397	6804
7-methylguanine	35114	C02242	HMDB0000897	135398679
acetylcarnitine (C2)	32198	C02571	HMDB0000201	7045767
adenine	554	C00147	HMDB0000034	190
adenosine	555	C00212	HMDB0000050	60961
agmatine	15496	C00179	HMDB0001432	199
alanine	1126	C00041	HMDB0000161	5950
alanylhistidine	37090		HMDB0028689	9837455
alanylleucine	37093		HMDB0028691	259583
alanyllysine	42008		HMDB0028692	4130575
alanylproline	37083		HMDB0028695	83525
alpha-glutamylglutamate	22166	C01425	HMDB0028818	439500
AMP	32342	C00020	HMDB0000045	6083
anserine	15747	C01262	HMDB0000194	112072
anthranilate	57746	C00108	HMDB0001123	227
argininate*	57461		HMDB0003148	160437
arginine	1638	C00062	HMDB0000517	6322
asparagine	512	C00152	HMDB0000168	6267
aspartate	443	C00049	HMDB0000191	5960
aspartylaspartate	40671		HMDB0028749	332965
beta-alanine	55	C00099	HMDB0000056	239
beta-guanidinopropanoate	35101	C03065	HMDB0013222	67701
betaine	3141	C00719	HMDB0000043	247
biotin	568	C00120	HMDB0000030	171548
cadaverine	15308	C01672	HMDB0002322	273
carboxyethyl-GABA	40007		HMDB0002201	2572
carboxymethylarginine	64071		HMDB39111	
carboxymethylproline	64578			45116053
carnitine	15500	C00487   C00308	HMDB0000062	288
carnosine	1768	C00386	HMDB0000033	439224
choline	15506	C00114	HMDB0000097	305
citrulline	2132	C00327	HMDB0000904	9750
CMP	2372	C00055	HMDB0000095	6131
creatine	27718	C00300	HMDB0000064	586
creatinine	513	C00791	HMDB0000562	588
cyclo(gly-phe)	37102			7076549
cyclo(gly-pro)	37077			193540
cyclo(his-phe)	52361			7408279
cyclo(leu-pro)	37104		HMDB0034276	7074739
cyclo(phe-pro)	44875	C11847		443440
cyclo(phe-pro) (L,D)*	43787			99895
cyclo(pro-arg)*	62842			
cyclo(pro-tyr)	43522	C10605	HMDB0034276	119404
cystathionine	15705	C02291	HMDB0000099	439258
cysteine	1868	C00097	HMDB0000574	5862
cysteine sulfinic acid	37443	C00606	HMDB0000996	109
cysteine-glutathione disulfide	35159	R00900	HMDB0000656	3080690
cysteinylglycine	35637	C01419	HMDB0000078	439498
cystine	56	C00491	HMDB0000192	67678
cytidine	514	C00475	HMDB0000089	6175
cytidine 2' or 3'-monophosphate (2' or 3'-CMP)	61705	C03104   C05822	HMDB0240312   HMDB0011692	53481031;66535
cytosine	573	C00380	HMDB0000630	597
deoxycarnitine	36747	C01181	HMDB0001161	22620
diacetylchitobiose	35158	C01674	HMDB0003556	439544
diacetylspermidine*	62105	C03413	HMDB0002172	132680
dimethylarginine (ADMA + SDMA)	36808	C21189   C03626	HMDB0003334   HMDB0001539	123831;169148
dimethylglycine	5086	C03626	HMDB0000092	673
ectoine	35651	C06231	HMDB0240650	126041
formiminoglutamate	43493	C00439	HMDB0000854	439233
fructosyllysine	46227		HMDB0034879	9839580
gamma-glutamyl-alpha-lysine	55015			65254
gamma-glutamyl-epsilon-lysine	33934		HMDB0003869	7015685
gamma-glutamylalanine	37063	C03738	HMDB0029142	440103
gamma-glutamylglutamate	36738	C05282	HMDB0011737	92865
gamma-glutamylglutamine	2730	C05283	HMDB0011738	150914
gamma-glutamylglycine	33949		HMDB0011667	100099
gamma-glutamylhistidine	18245		HMDB0029151	7017195
gamma-glutamylisoleucine*	34456		HMDB0011170	22885096
gamma-glutamylleucine	18369		HMDB0011171	151023
gamma-glutamylmethionine	44872		HMDB0029155	7009567
gamma-glutamylthreonine	33364		HMDB0029159	76078708
glutamate	57	C00025   C00217	HMDB0000148	33032
glutamine	53	C00064	HMDB0000641	5961
glutamine_degradant*	46225			
glutathione, oxidized (GSSG)	38783	D00031   C00127	HMDB0003337	65359
glycerol 3-phosphate	43847	C0093	HMDB0000126	754
glycerophosphoethanolamine	37455	C01233	HMDB0000114	123874
glycerophosphorylcholine (GPC)	15990	C00670	HMDB0000086	71920
glycerophosphoserine*	57404			3081457
glycine	58	C00037	HMDB0000123	750
glycylisoleucine	36659		HMDB0028844	259613
glycylleucine	34398	C02155	HMDB0000759	92843
glycylproline	22171		HMDB0000721	3013625
glycylvaline	18357		HMDB0028854	2724807
guanidinoacetate	43802	C00581	HMDB0000128	763
guanine	32352	C00242	HMDB0000132	135398634
harmane	27536	C09209	HMDB0035196	5281404
histamine	1574	C00388	HMDB0000870	774
histidine betaine (hercynine)*	62278		HMDB0029422	3083620
histidylalanine	42027		HMDB0028878	101180
homocysteine	15128	C00155	HMDB0000742	778
homostachydrine*	33009	C08283	HMDB0033433	441447
hydroxyproline	32306	C01157	HMDB0000725	5810
hypotaurine	590	C00519	HMDB0000965	107812
hypoxanthine	3127	C00262	HMDB0000157	790;135398638
imidazole lactate	15716	C05568	HMDB0002320	793
imidazole propionate	40730		HMDB0002271	70630
isoleucine	1125	C16424   C00407   C06418	HMDB0000172	6306
kynurenine	15140	C00328	HMDB0000684	161166
lanthionine	42002			98504
leu-val-val	63383			23276203
leucine	60	C00123	HMDB0000687	6106
leucylalanine	40010		HMDB0028922	81721
leucylglutamine*	48189		HMDB0028927	4305457
leucylglycine	40045		HMDB0028929	79070
lysine	1301	C00047   C00739	HMDB0003405	5962
lysylalanine	42006		HMDB0028944	4106167
lysylleucine	40020		HMDB0028955	4682588
maltol	38299	C11918	HMDB0030776	8369
methionine	1302	C00073	HMDB0000696	6137
methionine sulfone	44878		HMDB0062174	69961
methionine sulfoxide	18374	C02989	HMDB0002005	158980
N-acetyl-1-methylhistidine*	43255		HMDB0240340	53859791
N-acetyl-3-methylhistidine*	43256		HMDB0240341	193270
N-acetyl-cadaverine	43530		HMDB0002284	10374713
N-acetylarginine	33953	C02562	HMDB0004620	67427
N-acetylasparagine	33942		HMDB0006028	99715
N-acetylcarnosine	43488		HMDB0012881	9903482
N-acetylcysteine	1586	C06809	HMDB0001890	12035
N-acetylglutamine	33943	C02716	HMDB0006029	182230
N-acetylglycine	27710		HMDB0000532	10972
N-acetylhistamine	48679	C05135	HMDB0013253	69602
N-acetylhistidine	33946	C02997	HMDB0032055	75619
N-acetylmethionine sulfoxide	45428			11902949
N-acetylneuraminate	32377	C00270	HMDB0000230	439197
N-acetylproline	34387		HMDB0094701	322640
N-acetylputrescine	37496	C02714	HMDB0002064	122356
N-acetylserine	37076		HMDB0002931	65249
N-carbamoylalanine	52340			426409
N-glycolylneuraminate	37123	C03410	HMDB0000833	123802
N-methylproline	37431		HMDB0094696	643474
N-monomethylarginine	43586	C03884	HMDB0029416	132862
N,N-dimethyl-pro-pro	64571			
N,N,N-trimethyl-5-aminovalerate	57687			14274897
N,N,N-trimethyl-alanylproline betaine (TMAP)	62947		HMDB0240365	
N(1)-acetylspermine	32360	C02567	HMDB0001186	496;916
N1-methylinosine	48351		HMDB0002721	650095
N1,N12-diacetylspermine	52987	C03413	HMDB0002172	132680
N2,N2-dimethylguanosine	35137		HMDB0004824	135501639
N4-acetylcytidine	35130		HMDB0005923	107461
N6-carboxymethyllysine	36713		HMDB0240347	123800
N6-methyladenosine	37114		HMDB0004044	102175
N6-methyllysine	62860	C02728	HMDB0002038	164795
N6,N6-dimethyllysine	62862	C05545	HMDB0013287	193344
N6,N6,N6-trimethyllysine	1498	C03793	HMDB0001325	440120
NAD+	5278	C00003		5892
nicotianamine	43026	C05324		9882882
nicotinamide	594	C00153	HMDB0001406	936
nicotinamide ribonucleotide (NMN)	22152	C00455	HMDB0000229	14180
nicotinamide riboside	33013	C03150	HMDB0000855	439924
nicotinate	1504	C00253	HMDB0001488	938
nicotinate ribonucleoside	33471	C05841	HMDB0006809	161233
o-tyrosine	43392		HMDB0006050	91482
ophthalmate	34592		HMDB0005765	7018721
ornithine	1493	C00077	HMDB0000214	6262
oxindolylalanine	64568			20977764
p-aminobenzoate (PABA)	596	C00568	HMDB0001392	978
phenylalanine	64	C00079	HMDB0000159	6140
phenylalanylalanine	41374		HMDB0028988	5488196
phenylalanylglycine	41370		HMDB0028995	6992304
phosphate	42109	C00009	HMDB0001429	1061
phosphocholine	34396	C00588	HMDB0001565	1014
phosphoethanolamine (PE)	1600	C00346	HMDB0000224	1015
picolinate	1512	C10164	HMDB0002243	1018
pipecolate	1444		HMDB0000070	
proline	1898	C00148   C000763	HMDB0000162   HMDB0003411	145742;614;8988
prolylalanine	40705		HMDB0029010	6347578
prolylglycine	40703		HMDB0011178	6426709
prolylhydroxyproline	35127		HMDB0006695	11902893
prolylproline	40731		HMDB0011180	263469
putrescine	1408	C00134	HMDB0001414	1045
pyridoxamine	2150	C00534	HMDB0001431	1052
pyridoxine (vitamin B6)	608	D08454	HMDB0000239	1054
pyroglutamylalanine*	62087			159907
pyrraline	48428	C21013	HMDB0033143	14274616
riboflavin (vitamin B2)	1827	C00255	HMDB0000244	493570
S-1-pyrroline-5-carboxylate	42370	C04322	HMDB0001301	11966181
S-carboxyethylcysteine	64177			
S-carboxymethyl-cysteine	47897	C03727	HMDB0029415	193653
S-methylcysteine sulfoxide	43378		HMDB0029432	82142
saccharopine	1495	C00449	HMDB0000279	160556
sarcosine	1516	C00213	HMDB0000271	1088
sedoheptulose-7-phosphate	35649	C05382	HMDB0001068	616
serine	1648	C00065	HMDB0000187	5951
spermidine	485	C00315	HMDB0001257	1102
stachydrine	34384	C10172	HMDB0004827	115244
taurine	2125	C00245	HMDB0000251	1123
thiamin (vitamin B1)	5341	DG00125   C00378   D08580	HMDB0000235	1130
thioproline	53231		HMDB0062164	93176
threonine	1284	C00188	HMDB0000167	6288
trigonelline (N'-methylnicotinate)	32401	C01004	HMDB0000875	5570
trimethylamine N-oxide	40406	C01104	HMDB0000925	1145
tryptamine	6104	C00398	HMDB0000303	1150
tryptophan	54	C00078	HMDB0000929	6305
tryptophylglycine	43028		HMDB0029083	263471
tyramine	1603	C00483	HMDB0000306	5610
tyrosine	1299	C00082	HMDB0000158	6057
urea	1670	C00086	HMDB0000294	1176
valine	1649	C00183	HMDB0000883	6287
valylglutamine	42079		HMDB0029125	5253209
valylleucine	39994		HMDB0029131	352039
METABOLITES_END
#END