#METABOLOMICS WORKBENCH sven_haange_20200602_071542_mwtab.txt DATATRACK_ID:2036 STUDY_ID:ST001389 ANALYSIS_ID:AN002318 PROJECT_ID:PR000953
VERSION             	1
CREATED_ON             	June 2, 2020, 1:44 pm
#PROJECT
PR:PROJECT_TITLE                 	Enteric microbiota and liver metabolomics during the postnatal period
PR:PROJECT_SUMMARY               	Following birth, the neonatal intestine is exposed to maternal and environmental
PR:PROJECT_SUMMARY               	bacteria that successively form a dense and highly dynamic intestinal
PR:PROJECT_SUMMARY               	microbiota. Whereas the effect of exogenous factors has been extensively
PR:PROJECT_SUMMARY               	investigated, endogenous, host-mediated mechanisms have remained largely
PR:PROJECT_SUMMARY               	unexplored. Concomitantly with microbial colonization, the liver undergoes
PR:PROJECT_SUMMARY               	functional transition from a hematopoietic organ to a central organ of metabolic
PR:PROJECT_SUMMARY               	regulation and immune surveillance. The aim of the present study was to analyze
PR:PROJECT_SUMMARY               	the influence of the developing hepatic function and liver metabolism on the
PR:PROJECT_SUMMARY               	early intestinal microbiota. Using metabolomic and microbial profiling in
PR:PROJECT_SUMMARY               	combination with multivariate analysis we characterized the colonization
PR:PROJECT_SUMMARY               	dynamics and liver metabolism in the murine gastrointestinal tract (n=6-10 per
PR:PROJECT_SUMMARY               	age group). We observed major age-dependent microbial and metabolic changes and
PR:PROJECT_SUMMARY               	identified bile acids as potent drivers of the early intestinal microbiota
PR:PROJECT_SUMMARY               	maturation. Consistently, oral administration of tauro-cholic acid or
PR:PROJECT_SUMMARY               	β-tauro-murocholic acid to newborn mice (n= 7-14 per group) accelerated
PR:PROJECT_SUMMARY               	postnatal microbiota maturation.
PR:INSTITUTE                     	Helmholtz Centre for Environmental Research - UFZ
PR:LAST_NAME                     	Haange
PR:FIRST_NAME                    	Sven
PR:ADDRESS                       	Permoserstrasse 1, Leipzig, Saxony, 04318, Germany
PR:EMAIL                         	sven.haange@ufz.de
PR:PHONE                         	0049 341 2351099
#STUDY
ST:STUDY_TITLE                   	Quantitative mino acids and biogenic amines study on total murine liver tissue
ST:STUDY_TITLE                   	from mice at different age
ST:STUDY_TYPE                    	Liver tissue/Primary tissue
ST:STUDY_SUMMARY                 	Amino acids and biogenic amines in total liver tissue from healthy C57BL/6 mice
ST:STUDY_SUMMARY                 	at 1, 7, 14, 21, 28 and 56 day after birth was analyzed.
ST:INSTITUTE                     	Helmholtz Centre for Environmental Research - UFZ
ST:DEPARTMENT                    	Department of Molecular Systems biology
ST:LABORATORY                    	Functional Metabolomics
ST:LAST_NAME                     	Rolle-Kampczyk
ST:FIRST_NAME                    	Ulrike
ST:ADDRESS                       	Permoserstrasse 15, 04318 Leipzig, Germany
ST:EMAIL                         	ulrike.rolle-kampczyk@ufz.de
ST:PHONE                         	0049 341 235 1537
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	L_K9D1	Day after birth:1	Litter=9; RAW_FILE_NAME=L_K9D1.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K10D1	Day after birth:1	Litter=10; RAW_FILE_NAME=L_K10D1.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K11D1	Day after birth:1	Litter=11; RAW_FILE_NAME=L_K11D1.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K7D7	Day after birth:7	Litter=7; RAW_FILE_NAME=L_K7D7.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K8D7	Day after birth:7	Litter=8; RAW_FILE_NAME=L_K8D7.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K9D7	Day after birth:7	Litter=9; RAW_FILE_NAME=L_K9D7.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K10D7	Day after birth:7	Litter=10; RAW_FILE_NAME=L_K10D7.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K11D7	Day after birth:7	Litter=11; RAW_FILE_NAME=L_K11D7.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K7D14	Day after birth:14	Litter=7; RAW_FILE_NAME=L_K7D14.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K8D14	Day after birth:14	Litter=8; RAW_FILE_NAME=L_K8D14.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K9D14	Day after birth:14	Litter=9; RAW_FILE_NAME=L_K9D14.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K10D14	Day after birth:14	Litter=10; RAW_FILE_NAME=L_K10D14.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K11D14	Day after birth:14	Litter=11; RAW_FILE_NAME=L_K11D14.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K7D21	Day after birth:21	Litter=7; RAW_FILE_NAME=L_K7D21.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K8D21	Day after birth:21	Litter=8; RAW_FILE_NAME=L_K8D21.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K9D21	Day after birth:21	Litter=9; RAW_FILE_NAME=L_K9D21.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K10D21	Day after birth:21	Litter=10; RAW_FILE_NAME=L_K10D21.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K11D21	Day after birth:21	Litter=11; RAW_FILE_NAME=L_K11D21.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K7D28	Day after birth:28	Litter=7; RAW_FILE_NAME=L_K7D28.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K8D28	Day after birth:28	Litter=8; RAW_FILE_NAME=L_K8D28.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K9D28	Day after birth:28	Litter=9; RAW_FILE_NAME=L_K9D28.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K10D28	Day after birth:28	Litter=10; RAW_FILE_NAME=L_K10D28.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K11D28	Day after birth:28	Litter=11; RAW_FILE_NAME=L_K11D28.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K7D56	Day after birth:56	Litter=7; RAW_FILE_NAME=L_K7D56.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K8D56	Day after birth:56	Litter=8; RAW_FILE_NAME=L_K8D56.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K9D56	Day after birth:56	Litter=9; RAW_FILE_NAME=L_K9D56.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K10D56	Day after birth:56	Litter=10; RAW_FILE_NAME=L_K10D56.wiff
SUBJECT_SAMPLE_FACTORS           	-	L_K11D56	Day after birth:56	Litter=11; RAW_FILE_NAME=L_K11D56.wiff
#COLLECTION
CO:COLLECTION_SUMMARY            	Animals were sacrificed and the liver tissue was removed, snap frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen and stored at -80°C until further analysis
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	All C57BL6J wildtype mice were bred locally and held under specific
TR:TREATMENT_SUMMARY             	pathogen-free conditions at the Institute of Laboratory Animal Science at RWTH
TR:TREATMENT_SUMMARY             	Aachen University Hospital. The day of birth was considered day 0, i.e. animals
TR:TREATMENT_SUMMARY             	screened at day 1 were approximately 24 h old and verified to have ingested
TR:TREATMENT_SUMMARY             	breast milk (abdominal milk spot). Mice were weaned at PND21.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Solvents: Acetonitril (Merck KGaA, Darmstadt, Germany hypergrade for LC-MS)
SP:SAMPLEPREP_SUMMARY            	Water MiliQ, Extracting agent - ACN / H2O (1:1) Equipment 4 steel balls size M
SP:SAMPLEPREP_SUMMARY            	Eppendorf Tubes 2mL Tissue slicer (Rettberg, Germany) Centrifuge (Sigma) Work
SP:SAMPLEPREP_SUMMARY            	steps To approximately 100 mg of sample four steel balls of size M rae added in
SP:SAMPLEPREP_SUMMARY            	Eppendorf tubes. Then add for each mg of sample 5 µL of extracting agent. Shake
SP:SAMPLEPREP_SUMMARY            	the samples for 10 minutes at 30 Hz in the tissue slicer and centrifuge for 2
SP:SAMPLEPREP_SUMMARY            	minutes at 14000 rpm. The supernatant is used for targeted analytics as
SP:SAMPLEPREP_SUMMARY            	described in the kit manufactures manual. Kit measurement The analysis was
SP:SAMPLEPREP_SUMMARY            	performed using the validated Bile Acid Kit (Biocrates Life Sciences, Inssbruck,
SP:SAMPLEPREP_SUMMARY            	Austria) as described in Pham et al. 2017 [1]. Data processing is carried out
SP:SAMPLEPREP_SUMMARY            	with the provided quantitation method Kit (Biocrates Life Sciences AG,
SP:SAMPLEPREP_SUMMARY            	Innsbruck, Austria). 1 Pham HT, Arnhard K, Asad YJ, Deng L, Felder TK, St
SP:SAMPLEPREP_SUMMARY            	John-Williams L, et al. Inter-Laboratory Robustness of Next-Generation Bile Acid
SP:SAMPLEPREP_SUMMARY            	Study in Mice and Humans: International Ring Trial Involving 12 Laboratories.
SP:SAMPLEPREP_SUMMARY            	The Journal of Applied Laboratory Medicine 2019;1:129-42.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	UPLC (Waters Acquity, Waters Corporation, Milford, USA)
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Analyst version 1.6 Software from SCIEX. For Validation METIDQ Software version
MS:MS_COMMENTS                   	Boron from Biocrates
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	µM
MS_METABOLITE_DATA_START
Samples	L_K9D1	L_K10D1	L_K11D1	L_K7D7	L_K8D7	L_K9D7	L_K10D7	L_K11D7	L_K7D14	L_K8D14	L_K9D14	L_K10D14	L_K11D14	L_K7D21	L_K8D21	L_K9D21	L_K10D21	L_K11D21	L_K7D28	L_K8D28	L_K9D28	L_K10D28	L_K11D28	L_K7D56	L_K8D56	L_K9D56	L_K10D56	L_K11D56
Factors	Day after birth:1	Day after birth:1	Day after birth:1	Day after birth:7	Day after birth:7	Day after birth:7	Day after birth:7	Day after birth:7	Day after birth:14	Day after birth:14	Day after birth:14	Day after birth:14	Day after birth:14	Day after birth:21	Day after birth:21	Day after birth:21	Day after birth:21	Day after birth:21	Day after birth:28	Day after birth:28	Day after birth:28	Day after birth:28	Day after birth:28	Day after birth:56	Day after birth:56	Day after birth:56	Day after birth:56	Day after birth:56
Alanine	41.22905028	20.72100313	25.16260163	21.41680395	11.15207373	17.10709318	20.06269592	24.83221477	18.47206385	13.16003249	24.64539007	10.08196721	9.233791749	5.989583333	2.587672689	8.517520216	9.54738331	10.30927835	5.677059097	8.909853249	4.98960499	9.037328094	7.196749855	7.528556594	6.049495875	5.951859956	9.315589354	0
Arginine	0	0.118181818	0	0.01029654	0.045529954	0.00364395	0.040909091	0.003400447	0.022348917	0.00170593	0	0	0.007989522	0.006927083	1.726886291	0	0	0.015738832	0	0	0.004823285	0	0	0	0	0	0	0.920840065
Asparagine	2.675977654	3	2.670731707	1.128500824	1.474654378	2.155771905	2.617554859	1.85458613	1.023945268	1.104792851	1.712765957	1.590163934	1.388343157	1.520833333	0.807651435	0.819407008	1.421499293	1.573883162	0.46998604	0.990566038	0.449064449	0.94302554	0.963435868	0.856697819	0.719523373	0.778993435	1.159695817	1.168551427
Aspartate	25.75418994	14.4200627	16.50406504	8.220757825	5.778801843	11.59944367	10.95611285	8.478747204	5.929304447	4.04549147	7.074468085	3.221311475	2.57367387	1.135416667	1.912858661	2.150943396	1.647807638	2.261168385	1.498371336	1.383647799	1.072765073	1.656843484	1.404526988	1.199376947	0.811182401	1.041575492	1.628643853	0
Citrulline	2.502793296	0.65830721	1.524390244	0.504118616	0.217511521	0.278164117	0.44200627	0.293064877	0.343215507	0.14378554	0.333333333	0.07647541	0.08513425	0.039427083	0.03554729	0.046037736	0.045120226	0.067560137	0.01279665	0.015828092	0.026777547	0.030451866	0.02159025	0.021754933	0.012832264	0.008665208	0.014638783	0.264943457
Glutamine	38.77094972	23.26018809	34.18699187	8.616144975	5.078341014	8.859527121	8.119122257	10.35794183	3.124287343	0.90170593	5.514184397	2.950819672	2.861820563	0.111458333	0	1.498652291	4.391796322	0.027697595	0.805025593	3.380503145	1.937629938	3.575638507	2.031340685	2.699896158	2.401466544	3.234135667	4.27756654	0
Glutamate	50.83798883	27.77429467	34.18699187	19.93410214	10.04608295	14.60361613	16.30094044	24.83221477	14.82326112	9.666937449	18.26241135	8.172131148	5.913555992	5.364583333	0.520722635	5.498652291	5.813295615	3.567010309	6.375058167	5.167714885	5.322245322	7.465618861	6.094022055	4.018691589	1.883593034	3.04595186	4.461343473	0.176090468
Glycine	84.3575419	43.57366771	63.00813008	20.42833608	10.59907834	19.33240612	15.830721	34.67561521	15.16533637	9.504467912	16.02836879	7.524590164	6.195153897	4.302083333	1.323060574	4.274932615	5.176803395	5.580756014	2.954862727	4.365828092	3.538461538	5.507531107	3.813116657	4.589823468	2.818515124	2.853391685	4.524714829	1.152396338
Histidine	6.759776536	3.793103448	6.341463415	3.459637562	1.852534562	3.268428373	2.89968652	3.467561521	2.930444698	1.697806661	3.120567376	1.672131148	1.296660118	0.932291667	0.297024442	0.862533693	1.265912306	1.04467354	0.744532341	0.964360587	0.61954262	1.309757695	0.76610563	0.820353063	0.545371219	0.665207877	1.134347275	0.22724825
Isoleucine	6.703910615	3.699059561	5.162601626	2.471169687	1.456221198	2.64255911	2.288401254	2.818791946	2.75940707	1.762794476	2.624113475	1.680327869	1.349050426	0.734375	0.547290117	0.765498652	1.237623762	0.914089347	0.618892508	0.906708595	0.51975052	1.165684348	0.742890308	0.820353063	0.600366636	0.700218818	1.210392902	0.322563274
Leucine	12.29050279	6.865203762	10.20325203	4.217462932	2.774193548	5.479833102	4.090909091	4.966442953	6.248574686	3.679935012	5.638297872	3.426229508	2.743942371	1.416666667	11.26461211	1.563342318	2.75106082	2.041237113	1.228478362	1.897274633	1.143451143	2.383759005	1.642484039	1.640706127	1.232813932	1.509846827	3.067173638	4.846526656
Lysine	18.43575419	8.495297806	17.23577236	5.28830313	3.069124424	5.9527121	5.282131661	6.398210291	5.450399088	2.83509342	4.946808511	3.303278689	2.180746562	1.557291667	0.417640808	1.428571429	2.149929279	2.233676976	1.00511866	1.598532495	1.139293139	2.691552063	1.31746953	1.495327103	1.067827681	1.067833698	1.945500634	3.855681206
Methionine	5.413407821	2.639498433	3.581300813	1.894563427	1.087557604	1.933240612	1.630094044	2.214765101	2.326111745	1.299756296	2.145390071	1.18852459	0.975769483	0.519270833	0.012539851	0.598382749	0.891089109	0.728522337	0.422987436	0.592243187	0.38004158	0.746561886	0.56645386	0.516095535	0.356095325	0.442013129	0.830164766	0.021486268
Ornithine	11.56424581	6.081504702	8.089430894	3.805601318	2.350230415	4.353268428	4.07523511	4.071588367	3.534777651	2.022745735	3.546099291	2.483606557	1.584806811	1.109375	0.850159405	1.099730458	1.654879774	1.457044674	0.614239181	1.022012579	0.781704782	1.565160445	1.033081834	0.976116303	0.673693859	0.67833698	1.248415716	1.12008616
Phenylalanine	7.430167598	4.294670846	5.040650407	2.355848435	1.520737327	2.726008345	2.115987461	2.729306488	3.033067275	1.900893582	3.120567376	1.581967213	1.335952849	0.765625	0.011317747	0.889487871	1.272984441	1.305841924	0.684039088	0.922431866	0.598752599	1.15913556	0.870574579	0.903426791	0.664527956	0.774617068	1.362484157	0.05815832
Proline	19.21787709	8.965517241	14.3495935	6.408566722	4.055299539	5.9527121	5.940438871	7.919463087	6.431014823	4.248578392	6.755319149	3.352459016	2.730844794	1.432291667	0.209883103	1.525606469	2.036775106	2.487972509	1.130758492	1.44129979	0.906444906	1.689587426	1.247823564	1.246105919	0.884509624	0.984682713	1.787072243	1.168551427
Serine	23.18435754	12.13166144	12.60162602	8.088962109	4.304147465	8.789986092	7.711598746	8.903803132	7.571265678	3.826157595	7.464539007	3.786885246	2.940406025	2.052083333	1.918172157	1.811320755	2.644978784	2.852233677	1.382038157	1.823899371	1.20997921	2.351015062	1.723737667	1.723779855	1.076993584	1.361050328	2.57287706	0.065158858
Threonine	12.17877095	7.335423197	9.715447154	4.876441516	3.105990783	4.589707928	4.952978056	5.436241611	4.25313569	2.696994314	5.141843972	2.401639344	2.167648985	1.072916667	0.026514346	1.277628032	1.739745403	1.972508591	1.000465333	1.498951782	0.765072765	1.427635887	1.300058038	1.298026999	0.976168653	1.190371991	1.844106464	0.056004308
Tryptophan	2.519553073	1.413793103	1.723577236	0.574958814	0.346543779	0.593880389	0.476489028	0.693512304	0.597491448	0.355808286	0.613475177	0.322131148	0.271119843	0.165104167	0.392667375	0.172506739	0.257425743	0.263917526	0.126105165	0.183438155	0.117255717	0.236411264	0.16540917	0.161474559	0.115490376	0.132603939	0.25095057	0.237479806
Tyrosine	6.983240223	3.260188088	5.447154472	2.009884679	1.705069124	2.698191933	2.288401254	1.995525727	2.417331813	1.673436231	2.074468085	1.631147541	1.342501637	0.869791667	0.445802338	0.873315364	1.265912306	1.395189003	0.595625872	0.864779874	0.56964657	1.185330714	0.87637841	0.846313603	0.586617782	0.673960613	1.18504436	0.222940226
Valine	12.51396648	6.520376176	9.308943089	4.744645799	2.67281106	4.95132128	4.310344828	5.525727069	5.27936146	3.151909017	5.195035461	2.803278689	2.311722331	1.458333333	0.860786397	1.347708895	2.079207921	2.24742268	1.098185202	1.540880503	0.972972973	1.997380485	1.358096344	1.474558671	1.09532539	1.24726477	2.192648923	0.646203554
Acetylornithine	0.138547486	0.042319749	0.131707317	0	0	0	0	0.007941834	0.157354618	0.004061738	0	0.000868852	0.072036673	0.075520833	0.292773645	0.008086253	0.018953324	0.035876289	0.010563053	0.014046122	0.017546778	0.017681729	0.011375508	0.008047767	0.009349221	0.004420131	0.025728771	0.748519117
Asymmetric dimethylarginine	0.424022346	0.272100313	0.307723577	0.135420099	0.088940092	0.151599444	0.155799373	0.165324385	0.129988597	0.086921202	0.141134752	0.073688525	0.059528487	0.02515625	0.090860786	0.030781671	0.040876945	0.083848797	0.025221033	0.03663522	0.017837838	0.030451866	0.027278003	0.023312565	0.017048579	0.01868709	0.030671736	0.721593969
Alpha- Aminoadipic acid	16.53631285	1.021943574	6.178861789	0.401976936	0.297695853	0.534075104	0.611285266	0.67114094	0.34663626	0.202274574	0.510638298	0.300819672	0.225278324	0.1921875	0.68544102	0.241509434	0.209335219	0.632302405	0.09771987	0.094339623	0.211642412	0.330058939	0.281485781	0.23364486	0.041934005	0.115973742	0.464512041	0.608508347
cis-4-Hydroxyproline	0	0	0	0	0	0	0	0	0	0	0	0	1.96464E-05	0.000640625	0.063761955	0	0	0.000721649	0	0	0	0	0	0	0	0	0	0.090468498
Carnosine	0.043687151	0.021912226	0	0.032784185	0.022672811	0.023922114	0.027742947	0.023266219	0.021208666	0.006953696	0.026595745	0.008852459	0.008775377	0.0134375	0	0.002679245	0.003408769	0.006611684	0.001377385	0	0	0.003123772	0.013580963	0	0	0	0.020342205	0
Creatinine	0	0	0	0	0	0	0	0	0	0	0	0	0	0.382291667	13.39001063	0	0	0	0	0	0	0	0	0	0	0	0	24.07108239
Dihydroxyphenylalanine	0.02027933	0.012664577	0	0	0	0.002656467	0	0.006219239	0	0.000178716	0.007198582	0.000434426	0	0.00953125	0	0	0	0.019106529	0.000823639	0	0.001135135	0.000333988	0.000139292	0.000649013	0	0	0.002756654	0.004959612
Dopamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.177167474
Histamine	0.620111732	0.135736677	1.479674797	0.013739703	0.008608295	0.012336579	0.011739812	0.021387025	0.002519954	0.001015435	0.003049645	0.001393443	0.001368697	0.000802083	0.00706695	0	0	0.001408935	0	0	0	0	0	0	0	0	3.16857E-05	0.161550889
Kynurenine	0.877094972	0.045768025	0.320731707	0.030807249	0.017695853	0.031571627	0.0330721	0.04541387	0.049600912	0.034849716	0.04929078	0.019672131	0.020104781	0.0275	1.280552604	0.010242588	0.010042433	0.030721649	0.004746394	0.006079665	0.008898129	0.008840864	0.009286129	0.006074766	0.006782768	0.005601751	0.008491762	0.484652666
Methioninesulfoxide	0.170391061	0.092476489	0.111382114	0.04398682	0.022580645	0.050904033	0.048119122	0.078747204	0.064424173	0.029488221	0.051595745	0.033852459	0.019318926	0.008333333	0.026408077	0.009272237	0.018811881	0.023505155	0.006933457	0.008595388	0.006486486	0.011853307	0.011259431	0.010332295	0.006966086	0.008752735	0.016539924	0.155088853
Nitrotyrosine	0.000335196	0	0.000203252	0	0	0.000111266	0	4.47427E-05	4.561E-05	0	8.86525E-05	4.09836E-05	6.54879E-06	0.000432292	0.051540914	5.39084E-05	9.19378E-05	0.001491409	9.30665E-05	0	2.4948E-05	6.54879E-05	4.06268E-05	3.63448E-05	1.37489E-05	0	1.90114E-05	0.090468498
Phenylethylamine	0.003072626	0	0	0	0	0.001029207	0.001003135	0	0.000752566	0	0	0.000336066	0	0.001677083	0	0	0.000360679	0.004536082	0.00033504	0	0	0	0.000290192	0	0.000256645	0	0	0
Putrescine	1.56424581	0.586206897	1.341463415	0.57660626	0.182488479	0.282336579	0.572100313	0.894854586	0.11391106	0.055077173	0.225177305	0.093442623	0.052586771	0.630208333	8.7141339	0.012830189	0.103960396	0.654982818	0.036761284	0.036949686	0.03018711	0.03994761	0.062100987	0.018172378	0.014436297	0.016280088	0.03269962	2.891760905
Symmetric dimethylarginine	0.130726257	0.063949843	0.089430894	0.027347611	0.007585253	0.01891516	0.017398119	0.023713647	0.010239453	0.005962632	0.025	0.003434426	0.003182711	0.002364583	0.050903294	0	0.000360679	0.045429553	0.001033039	0.002751572	0.001218295	0.001316306	0.000255369	0.00017134	0.000421632	0	0.001692015	0.505115778
Serotonine	0.005139665	0	0.00495935	0.002257002	0.002064516	0.003351878	0.00315047	0.003668904	0.00327252	0.004500406	0.006755319	0.004532787	0.004250164	0.004177083	0.010467588	0.00425876	0.008203678	0.00975945	0.003327129	0.00524109	0.002665281	0.006385069	0.003888566	0.008566978	0.008111824	0.006345733	0.00652725	0.073774906
Spermidine	13.01675978	9.21630094	10.56910569	4.546952224	2.221198157	2.80945758	3.463949843	6.487695749	3.112884835	2.177091795	3.439716312	1.43442623	1.434184676	0.296875	0.074388948	1.374663073	1.499292786	0.485223368	0.614239181	0.71278826	0.51975052	1.001964637	1.079512478	0.581516096	0.815765353	0.573304158	0.899873257	0.17447496
Spermine	0.230167598	0.019592476	0.336585366	0.059637562	0.004820276	0.030458971	0.007884013	0.008836689	0	0.013566206	0.040248227	0	0.004276359	0.016041667	0.006057386	0.003126685	0.006216407	0	0.022987436	0.006498952	0.018669439	0	0.019094602	0.009553479	0.003263061	0.028052516	0.014258555	0.004776521
trans-4-Hydroxyproline	0.798882682	0.978056426	1.304878049	0.321252059	0.156682028	0.278164117	0.21630094	0.304250559	0.160775371	0.131600325	0.205673759	0.086885246	0.082514735	0.0440625	0.458023379	0.039245283	0.057496464	0.071477663	0.036807818	0.048689727	0.038004158	0.038441388	0.041265235	0.027725857	0.022502291	0.018993435	0.014828897	0
Taurine	32.51396648	18.21316614	23.94308943	9.159802306	4.976958525	7.385257302	8.134796238	12.23713647	6.77309008	4.833468725	10.26595745	4.713114754	3.791748527	2.713541667	0	2.797843666	3.394625177	4.268041237	2.093997208	1.881551363	2.349272349	4.047151277	3.430063842	3.026998962	2.804766269	2.516411379	3.415716096	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID
Alanine	C00041
Arginine	C00062
Asparagine	C00152
Aspartate	C00049
Citrulline	C00327
Glutamine	C00064
Glutamate	C00025
Glycine	C00037
Histidine	C00135
Isoleucine	C00407
Leucine	C00123
Lysine	C00047
Methionine	C00073
Ornithine	C00077
Phenylalanine	C00079
Proline	C00148
Serine	C00065
Threonine	C00188
Tryptophan	C00078
Tyrosine	C00082
Valine	C00183
Acetylornithine	C00437
Asymmetric dimethylarginine	C03626
Alpha- Aminoadipic acid	C00956
cis-4-Hydroxyproline	C19706
Carnosine	C00386
Creatinine	C00791
Dihydroxyphenylalanine	C00355
Dopamine	C03758
Histamine	C00388
Kynurenine	C00328
Methioninesulfoxide	C02989
Nitrotyrosine	-
Phenylethylamine	C02455
Putrescine	C00134
Symmetric dimethylarginine	-
Serotonine	C00780
Spermidine	C00315
Spermine	C00750
trans-4-Hydroxyproline	C01157
Taurine	C00245
METABOLITES_END
#END