#METABOLOMICS WORKBENCH sakanaka_20190926_042826_mwtab.txt DATATRACK_ID:1826 STUDY_ID:ST001261 ANALYSIS_ID:AN002092 PROJECT_ID:PR000847
VERSION             	1
CREATED_ON             	October 2, 2019, 9:23 am
#PROJECT
PR:PROJECT_TITLE                 	Fusobacterium nucleatum metabolome
PR:PROJECT_SUMMARY               	CE-TOFMS-based untargeted analysis of the extracellular metabolite changes of F.
PR:PROJECT_SUMMARY               	nucleatum when co-cultured with other oral microbes
PR:INSTITUTE                     	Osaka University Graduate School of Dentistry
PR:DEPARTMENT                    	Department of Preventive Dentistry
PR:LAST_NAME                     	Kuboniwa
PR:FIRST_NAME                    	Masae
PR:ADDRESS                       	Yamadaoka 1-8
PR:EMAIL                         	kuboniwa@dent.osaka-u.ac.jp
PR:PHONE                         	81668792922
#STUDY
ST:STUDY_TITLE                   	Metabolic changes of culture supernatants of Fusobacterium nucleatum co-cultured
ST:STUDY_TITLE                   	with other oral microbes (part-II)
ST:STUDY_SUMMARY                 	We used membrane-separated co-culture systems to globally assess extracellular
ST:STUDY_SUMMARY                 	metabolomic changes of Fusobacterium nucleatum co-cultured with Streptococcus
ST:STUDY_SUMMARY                 	gordonii and/or Veillonella parvula.
ST:INSTITUTE                     	Osaka University Graduate School of Dentistry
ST:DEPARTMENT                    	Department of Preventive Dentistry
ST:LAST_NAME                     	Kuboniwa
ST:FIRST_NAME                    	Masae
ST:ADDRESS                       	Yamadaoka 1-8
ST:EMAIL                         	kuboniwa@dent.osaka-u.ac.jp
ST:PHONE                         	81668792922
#SUBJECT
SU:SUBJECT_TYPE                  	Other
SU:SUBJECT_SPECIES               	Fusobacterium nucleatum
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Fn_1	partner:none	
SUBJECT_SAMPLE_FACTORS           	-	Fn_2	partner:none	
SUBJECT_SAMPLE_FACTORS           	-	Fn_3	partner:none	
SUBJECT_SAMPLE_FACTORS           	-	Fn-Sg_1	partner:Sg	
SUBJECT_SAMPLE_FACTORS           	-	Fn-Sg_2	partner:Sg	
SUBJECT_SAMPLE_FACTORS           	-	Fn-Sg_3	partner:Sg	
SUBJECT_SAMPLE_FACTORS           	-	Fn-Vp_1	partner:Vp	
SUBJECT_SAMPLE_FACTORS           	-	Fn-Vp_2	partner:Vp	
SUBJECT_SAMPLE_FACTORS           	-	Fn-Vp_3	partner:Vp	
SUBJECT_SAMPLE_FACTORS           	-	Fn-SgVp_1	partner:SgVp	
SUBJECT_SAMPLE_FACTORS           	-	Fn-SgVp_2	partner:SgVp	
SUBJECT_SAMPLE_FACTORS           	-	Fn-SgVp_3	partner:SgVp	
#COLLECTION
CO:COLLECTION_SUMMARY            	Spent medium from cultures and sterile CDM were centrifuged, filtered through
CO:COLLECTION_SUMMARY            	0.22-µm filtration devices (Millipore) and lyophilized.
CO:SAMPLE_TYPE                   	Bacterial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Co-culture growth was performed by inoculating 1.4E+10 cells of F. nucleatum in
TR:TREATMENT_SUMMARY             	CDM in the lower chamber of a Transwell unit with 0.4-µm pore polystyrene
TR:TREATMENT_SUMMARY             	membrane inserts (Corning, NY, USA), into which 1.4E+10 cells of S. gordonii, V.
TR:TREATMENT_SUMMARY             	parvula or their mixture (7E+9 cells each) in CDM, or an equal volume of CDM (as
TR:TREATMENT_SUMMARY             	a control) were added. The setup was anaerobically incubated in triplicate for
TR:TREATMENT_SUMMARY             	37°C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	To remove protein, 2 ml of chloroform and 0.8 ml of ultrapure water were added
SP:SAMPLEPREP_SUMMARY            	to the samples, which were thoroughly mixed and centrifuged at 2300 × g for 5
SP:SAMPLEPREP_SUMMARY            	minutes at 4˚C. The upper aqueous layer was then transferred to ultrafilter
SP:SAMPLEPREP_SUMMARY            	tips (Amicon ultrafilter system™) and centrifuged at 9100 × g for 120 minutes
SP:SAMPLEPREP_SUMMARY            	at 4˚C. Filtered material was dried under reduced pressure, followed by
SP:SAMPLEPREP_SUMMARY            	suspension in 50 µl of ultrapure water.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	CE
CH:INSTRUMENT_NAME               	Agilent 6210
CH:COLUMN_NAME                   	None
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6210 TOF
MS:INSTRUMENT_TYPE               	CE-TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The conditions for measurement of cationic metabolites were as follows. Run
MS:MS_COMMENTS                   	buffer: Cation Buffer Solution (H3301-1001; Human Metabolome Technologies
MS:MS_COMMENTS                   	(HMT)), CE voltage: +27kV, MS ionization: ESI positive, MS capillary voltage:
MS:MS_COMMENTS                   	4,000V, MS scan range: m/z 50-1,000, and sheath liquid: HMT Sheath Liquid
MS:MS_COMMENTS                   	(H3301-1020). Identification of metabolites and evaluation of the relative
MS:MS_COMMENTS                   	amounts were conducted using Master Hands (version 2.16.0.15 and 2.17.1.11; Keio
MS:MS_COMMENTS                   	University, Tokyo, Japan) with the HMT metabolite database. The relative amount
MS:MS_COMMENTS                   	of each metabolite was calculated with reference to the internal standard
MS:MS_COMMENTS                   	material (HMT).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	AU
MS_METABOLITE_DATA_START
Samples	Fn_1	Fn_2	Fn_3	Fn-Sg_1	Fn-Sg_2	Fn-Sg_3	Fn-Vp_1	Fn-Vp_2	Fn-Vp_3	Fn-SgVp_1	Fn-SgVp_2	Fn-SgVp_3
Factors	partner:none	partner:none	partner:none	partner:Sg	partner:Sg	partner:Sg	partner:Vp	partner:Vp	partner:Vp	partner:SgVp	partner:SgVp	partner:SgVp
Hypoxanthine	0.000000	0.000000	0.000000	0.000765	0.000853	0.000894	0.000013	0.000014	0.000018	0.000022	0.000023	0.000020
beta-Alanyl-L-lysine	0.000000	0.000000	0.000000	0.000000	0.000010	0.000011	0.000000	0.000010	0.000010	0.000012	0.000012	0.000011
Piperidine	0.000000	0.000000	0.000000	0.000000	0.000003	0.000000	0.000000	0.000000	0.000000	0.000011	0.000009	0.000009
3-Amino-1,2-propanediol	0.000000	0.000000	0.000000	0.000012	0.000013	0.000014	0.000000	0.000000	0.000000	0.000015	0.000015	0.000011
3-Amino-2-piperidone	0.000000	0.000000	0.000000	0.000012	0.000012	0.000013	0.000000	0.000000	0.000000	0.000012	0.000020	0.000017
2-Methylserine	0.000000	0.000000	0.000000	0.000102	0.000107	0.000122	0.000000	0.000000	0.000000	0.000070	0.000082	0.000079
Glutaconic acid	0.000000	0.000000	0.000000	0.000082	0.000087	0.000092	0.000000	0.000000	0.000000	0.000036	0.000033	0.000033
Hydroxyproline	0.000000	0.000000	0.000000	0.000012	0.000013	0.000016	0.000000	0.000000	0.000000	0.000015	0.000018	0.000015
N-Methy-L-glutamic acid	0.000000	0.000000	0.000000	0.000029	0.000036	0.000036	0.000000	0.000000	0.000000	0.000041	0.000038	0.000034
O-Acetylhomoserine	0.000000	0.000000	0.000000	0.000007	0.000007	0.000008	0.000000	0.000000	0.000000	0.000010	0.000013	0.000010
N5-Ethyl-L-glutamine	0.000000	0.000000	0.000000	0.000026	0.000028	0.000029	0.000000	0.000000	0.000000	0.000055	0.000050	0.000050
Citrulline	0.000000	0.000000	0.000000	0.000085	0.000088	0.000095	0.000000	0.000000	0.000000	0.000115	0.000109	0.000122
N8-Acetylspermidine	0.000000	0.000000	0.000000	0.000006	0.000005	0.000003	0.000000	0.000000	0.000000	0.000007	0.000007	0.000007
N6,N6,N6-Trimethyl-L-lysine	0.000000	0.000000	0.000000	0.000005	0.000003	0.000000	0.000000	0.000000	0.000000	0.000005	0.000006	0.000005
Ethylacetimidate	0.000000	0.000000	0.000000	0.000020	0.000023	0.000026	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000
N-Acetylserine	0.000000	0.000000	0.000000	0.000054	0.000052	0.000055	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000
Ornithine	0.000004	0.000005	0.000005	0.000102	0.000106	0.000140	0.000006	0.000008	0.000005	0.000175	0.000194	0.000162
Ala	0.001265	0.001320	0.001229	0.018287	0.019785	0.021012	0.001965	0.002065	0.002098	0.019001	0.018583	0.018614
Asp	0.000070	0.000084	0.000072	0.000629	0.000677	0.000720	0.000096	0.000096	0.000107	0.000135	0.000141	0.000135
Gly	0.000195	0.000206	0.000194	0.001362	0.001378	0.001563	0.000540	0.000561	0.000571	0.001894	0.001868	0.001810
Homoserine	0.000007	0.000006	0.000008	0.000041	0.000042	0.000050	0.000011	0.000010	0.000000	0.000056	0.000054	0.000057
D-Alanyl-D-alanine	0.000105	0.000117	0.000111	0.000628	0.000680	0.000710	0.000179	0.000176	0.000189	0.000726	0.000724	0.000744
N-Acetylputrescine	0.000008	0.000007	0.000010	0.000022	0.000026	0.000026	0.000010	0.000009	0.000012	0.000038	0.000044	0.000034
Nicotinic acid	0.000008	0.000011	0.000009	0.000025	0.000029	0.000023	0.000038	0.000038	0.000043	0.000081	0.000072	0.000071
Cytidine	0.000014	0.000015	0.000015	0.000037	0.000045	0.000039	0.000021	0.000021	0.000021	0.000078	0.000062	0.000075
Glu	0.000122	0.000133	0.000114	0.000324	0.000328	0.000332	0.000172	0.000193	0.000184	0.000164	0.000152	0.000188
Deoxyadenosine	0.000010	0.000009	0.000014	0.000027	0.000031	0.000029	0.000010	0.000013	0.000014	0.000011	0.000011	0.000015
2-Aminobutyric acid	0.000023	0.000027	0.000025	0.000051	0.000058	0.000067	0.000093	0.000096	0.000108	0.000281	0.000266	0.000271
Adenosine	0.000036	0.000033	0.000039	0.000074	0.000076	0.000084	0.000037	0.000037	0.000037	0.000088	0.000092	0.000093
GABA	0.000006	0.000007	0.000006	0.000011	0.000016	0.000011	0.000000	0.000010	0.000008	0.000017	0.000017	0.000018
Guanosine	0.000019	0.000022	0.000024	0.000040	0.000042	0.000047	0.000023	0.000024	0.000022	0.000038	0.000038	0.000044
Val	0.001397	0.001404	0.001349	0.002504	0.002595	0.002679	0.002237	0.002386	0.002402	0.003501	0.003490	0.003524
Diethanolamine	0.000008	0.000007	0.000008	0.000012	0.000016	0.000014	0.000008	0.000019	0.000031	0.000010	0.000009	0.000016
Thr	0.000111	0.000106	0.000112	0.000152	0.000184	0.000211	0.000111	0.000129	0.000118	0.000223	0.000229	0.000180
Uridine	0.000017	0.000015	0.000014	0.000023	0.000025	0.000025	0.000045	0.000045	0.000043	0.000040	0.000039	0.000053
Choline	0.000047	0.000048	0.000042	0.000070	0.000070	0.000062	0.000054	0.000054	0.000054	0.000096	0.000093	0.000090
Pro	0.000702	0.000713	0.000723	0.001000	0.001024	0.001060	0.000928	0.000980	0.000980	0.001300	0.001281	0.001279
7-Methylguanine	0.000008	0.000009	0.000008	0.000010	0.000012	0.000013	0.000014	0.000019	0.000014	0.000021	0.000024	0.000021
Uracil	0.000361	0.000369	0.000335	0.000474	0.000487	0.000503	0.000694	0.000696	0.000715	0.001005	0.001015	0.001021
Gluconolactone	0.000012	0.000000	0.000000	0.000016	0.000000	0.000018	0.000000	0.000000	0.000015	0.000016	0.000023	0.000019
Pyridoxal	0.000000	0.000000	0.000006	0.000008	0.000009	0.000008	0.000006	0.000008	0.000007	0.000012	0.000009	0.000012
Nicotinamide	0.000023	0.000025	0.000028	0.000031	0.000039	0.000031	0.000020	0.000022	0.000021	0.000035	0.000037	0.000040
Cadaverine	0.000016	0.000018	0.000019	0.000022	0.000024	0.000022	0.000136	0.000143	0.000143	0.000161	0.000152	0.000138
Asn	0.000165	0.000160	0.000151	0.000191	0.000186	0.000190	0.000152	0.000169	0.000155	0.000119	0.000121	0.000132
Ile	0.000992	0.001074	0.001027	0.001174	0.001216	0.001221	0.001344	0.001508	0.001367	0.001244	0.001243	0.001437
Adenine	0.001488	0.001410	0.001418	0.001705	0.001593	0.001677	0.001117	0.001142	0.001109	0.001143	0.001135	0.001307
Thiamine	0.000008	0.000008	0.000008	0.000011	0.000009	0.000009	0.000067	0.000069	0.000070	0.000060	0.000065	0.000057
Leu	0.001614	0.001743	0.001603	0.001787	0.001856	0.001729	0.002297	0.002302	0.002259	0.002376	0.002230	0.002431
Putrescine	0.000937	0.000959	0.000950	0.000992	0.001046	0.001026	0.000940	0.000953	0.000981	0.001222	0.001114	0.001219
Ser	0.000130	0.000131	0.000123	0.000119	0.000148	0.000146	0.000137	0.000157	0.000159	0.000151	0.000148	0.000128
4-Guanidinobutyric acid	0.000004	0.000005	0.000004	0.000004	0.000005	0.000006	0.000011	0.000011	0.000012	0.000016	0.000015	0.000015
N-Acetyllysine	0.000086	0.000092	0.000088	0.000098	0.000089	0.000095	0.000103	0.000108	0.000109	0.000096	0.000091	0.000102
5-Aminolevulinic acid	0.000006	0.000006	0.000005	0.000007	0.000007	0.000005	0.000006	0.000007	0.000006	0.000008	0.000007	0.000008
Glycerol	0.003680	0.002586	0.001930	0.002454	0.002694	0.003416	0.002418	0.002165	0.002318	0.002646	0.004298	0.006301
Lys	0.000614	0.000612	0.000609	0.000549	0.000646	0.000688	0.001513	0.001691	0.001605	0.001742	0.001823	0.001496
Spermine	0.000022	0.000027	0.000020	0.000022	0.000022	0.000024	0.000025	0.000029	0.000023	0.000029	0.000029	0.000027
Guanine	0.002021	0.001928	0.001977	0.001982	0.001897	0.002069	0.001611	0.001699	0.001596	0.000910	0.000937	0.001066
Cytosine	0.001238	0.001219	0.001194	0.001192	0.001412	0.001027	0.001203	0.001357	0.001268	0.001275	0.001386	0.001334
Pterin	0.000008	0.000013	0.000012	0.000010	0.000012	0.000010	0.000012	0.000013	0.000008	0.000011	0.000011	0.000011
Phosphorylcholine	0.000012	0.000015	0.000011	0.000012	0.000011	0.000012	0.000000	0.000011	0.000012	0.000012	0.000012	0.000000
Met	0.000027	0.000030	0.000022	0.000023	0.000026	0.000023	0.000027	0.000048	0.000033	0.000024	0.000021	0.000026
Tyr	0.000159	0.000177	0.000164	0.000142	0.000150	0.000152	0.000234	0.000257	0.000242	0.000171	0.000155	0.000186
Agmatine	0.000060	0.000055	0.000052	0.000049	0.000049	0.000051	0.000063	0.000058	0.000059	0.000054	0.000054	0.000055
N-Acetylornithine	0.000025	0.000031	0.000026	0.000024	0.000025	0.000024	0.000025	0.000031	0.000026	0.000017	0.000020	0.000021
Thymidine	0.000020	0.000021	0.000021	0.000019	0.000017	0.000019	0.000027	0.000024	0.000026	0.000017	0.000020	0.000017
Creatinine	0.000055	0.000045	0.000040	0.000043	0.000039	0.000038	0.000043	0.000037	0.000044	0.000045	0.000056	0.000052
Spermidine	0.000392	0.000391	0.000371	0.000308	0.000305	0.000325	0.000455	0.000420	0.000448	0.000383	0.000396	0.000364
Phe	0.000497	0.000524	0.000501	0.000405	0.000428	0.000401	0.000712	0.000738	0.000715	0.000471	0.000441	0.000501
Dyphylline	0.000675	0.000576	0.000446	0.000416	0.000457	0.000484	0.000515	0.000453	0.000497	0.000361	0.000482	0.000674
Gln	0.000053	0.000058	0.000057	0.000040	0.000039	0.000041	0.000055	0.000060	0.000059	0.000048	0.000045	0.000053
Arg	0.000656	0.000693	0.000667	0.000404	0.000451	0.000431	0.000897	0.000977	0.000895	0.000398	0.000431	0.000432
Ethanolamine	0.000477	0.000522	0.000460	0.000243	0.000215	0.000212	0.000465	0.000493	0.000476	0.000366	0.000363	0.000343
Glucosamine	0.000052	0.000065	0.000052	0.000016	0.000018	0.000013	0.000078	0.000096	0.000082	0.000010	0.000010	0.000011
Methionine sulfoxide	0.000073	0.000074	0.000082	0.000025	0.000018	0.000016	0.000093	0.000090	0.000093	0.000030	0.000033	0.000034
Hexylamine	0.000000	0.000006	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000008	0.000011	0.000000
Trimethylamine	0.000000	0.000025	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000024	0.000046	0.000022
Betaine	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000073	0.000085	0.000086	0.000076	0.000080	0.000074
Trp	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000008	0.000009	0.000009	0.000011	0.000010	0.000009
Isopropanolamine	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000011	0.000000	0.000009
N6-Methyl-L-lysine	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000000	0.000006	0.000005	0.000006
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	HMDB ID	m/z	MT
Hypoxanthine	C00262	HMDB00157	137.0451722	11.33177572
beta-Alanyl-L-lysine	C05341		218.1489814	6.982923857
Piperidine	C01746		86.0967	7.16578415
3-Amino-1,2-propanediol	C06057		92.07046833	7.651745133
3-Amino-2-piperidone		HMDB00323	115.0867625	7.804421967
2-Methylserine	C02115		120.0652058	10.61545208
Glutaconic acid	C02214	HMDB00620	131.0333917	23.4408625
Hydroxyproline	C01157	HMDB00725	132.0650667	12.31172092
N-Methy-L-glutamic acid	C01046		162.0759817	13.4042765
O-Acetylhomoserine	C01077		162.07611	11.2706575
N5-Ethyl-L-glutamine	C01047		175.1068	11.63426158
Citrulline	C00327	HMDB00904	176.1021	11.32039733
N8-Acetylspermidine	C01029	HMDB02189	188.1745783	6.518183967
N6,N6,N6-Trimethyl-L-lysine	C03793	HMDB01325	189.159736	7.3695435
Ethylacetimidate			88.075832	7.2722902
N-Acetylserine		HMDB02931	148.06039	23.66798733
Ornithine	C00077	HMDB00214	133.096935	7.00404047
Ala	C00041	HMDB00161	90.05483833	9.244964292
Asp	C00049	HMDB00191	134.0442558	11.80732467
Gly	C00037	HMDB00123	76.03944342	8.520042833
Homoserine	C00263	HMDB00719	120.0657684	10.32341533
D-Alanyl-D-alanine	C00993	HMDB03459	161.0917992	9.499472708
N-Acetylputrescine	C02714	HMDB02064	131.11771	8.668768625
Nicotinic acid	C00253	HMDB01488	124.0389523	10.23040675
Cytidine	C00475	HMDB00089	244.0920592	9.920830958
Glu	C00025	HMDB00148	148.0599525	11.20803342
Deoxyadenosine	C00559	HMDB00101	252.1083658	9.874401542
2-Aminobutyric acid	C03665	HMDB01906	104.0707883	9.8735395
Adenosine	C00212	HMDB00050	268.1034017	10.10313375
GABA	C00334	HMDB00112	104.0707583	7.893128378
Guanosine	C00387	HMDB00133	284.0982517	12.80119133
Val	C00183	HMDB00883	118.0860135	10.27079604
Diethanolamine	C06772	HMDB04437	106.086292	7.848359069
Thr	C00188	HMDB00167	120.0653543	10.76180321
Uridine	C00299	HMDB00296	245.076461	22.6044994
Choline	C00114	HMDB00097	104.1070404	7.0487073
Pro	C00148	HMDB00162	116.0706429	11.06011242
7-Methylguanine	C02242	HMDB00897	166.0717717	8.440905583
Uracil	C00106	HMDB00300	113.0345305	22.55615675
Gluconolactone	C00198	HMDB00150	179.0541686	23.34414786
Pyridoxal	C00250	HMDB01545	168.06478	8.99995365
Nicotinamide	C00153	HMDB01406	123.0551448	7.59047855
Cadaverine	C01672	HMDB02322	103.1228732	5.12478385
Asn	C00152	HMDB00168	133.0599692	10.72227575
Ile	C00407	HMDB00172	132.1017375	10.46425963
Adenine	C00147	HMDB00034	136.0610942	7.819202092
Thiamine	C00378	HMDB00235	265.1107025	6.774371942
Leu	C00123	HMDB00687	132.1017525	10.57434063
Putrescine	C00134	HMDB01414	89.107508	4.85041675
Ser	C00065	HMDB00187	106.0495755	10.22010579
4-Guanidinobutyric acid	C01035	HMDB03464	146.092057	8.50022555
N-Acetyllysine	C12989	HMDB00446	189.1225292	9.981008792
5-Aminolevulinic acid	C00430	HMDB01149	132.0658383	8.198421583
Glycerol	C00116	HMDB00131	93.05466962	22.55093177
Lys	C00047	HMDB00182	147.1120692	7.068477667
Spermine	C00750	HMDB01256	203.2223758	4.619039183
Guanine	C00242	HMDB00132	152.05648	8.517465
Cytosine	C01606	HMDB02107	165.01977	15.89044238
Pterin	C00715	HMDB00802	164.0564042	10.45577283
Phosphorylcholine	C00588	HMDB01565	184.072968	21.0551643
Met	C00073	HMDB00696	150.05822	10.98530271
Tyr	C00082	HMDB00158	182.0801575	11.62330233
Agmatine	C00179	HMDB01432	131.1290792	5.307994267
N-Acetylornithine	C00437	HMDB03357	175.1073542	9.669716375
Thymidine	C00214	HMDB00273	243.0934908	22.61874225
Creatinine	C00791	HMDB00562	114.065253	7.454594175
Spermidine	C00315	HMDB01257	146.1648775	4.675807342
Phe	C00079	HMDB00159	166.0859458	11.35333367
Dyphylline	C07819		255.1066715	22.58028462
Gln	C00064	HMDB00641	147.0760667	11.00857688
Arg	C00062	HMDB00517	175.1185475	7.30237925
Ethanolamine	C00189	HMDB00149	62.06005625	6.525829775
Glucosamine	C00329	HMDB01514	180.0855154	9.538266269
Methionine sulfoxide	C02989	HMDB02005	166.0525575	12.142635
Hexylamine	C08306		102.1275083	7.8019508
Trimethylamine	C00565	HMDB00906	60.0808125	6.029106875
Betaine	C00719	HMDB00043	118.0861192	11.52470392
Trp	C00078	HMDB00929	205.0962217	11.27777317
Isopropanolamine	C00099	HMDB00056	90.05479333	7.5360948
N6-Methyl-L-lysine	C02728	HMDB02038	161.1279533	7.307424433
METABOLITES_END
#END