#METABOLOMICS WORKBENCH Masatomo_Takahashi_20230525_050334 DATATRACK_ID:4042 STUDY_ID:ST002729 ANALYSIS_ID:AN004424
VERSION                          	1
CREATED_ON                       	11-09-2023
#PROJECT
PR:PROJECT_TITLE                 	Role of AICARP, an endogenous AMPK activator, in improved endurance capacity in
PR:PROJECT_TITLE                 	diabetic mice during SGLT2 inhibition.
PR:PROJECT_TYPE                  	Wide targeted metabolomics & lipidomics
PR:PROJECT_SUMMARY               	Diabetes is often associated with increased risk of deleterious muscle mass and
PR:PROJECT_SUMMARY               	function or sarcopenia, thus leading to physical inactivity and metabolic
PR:PROJECT_SUMMARY               	disorders. Sodium-glucose cotransporter 2 (SGLT2) inhibitors are an oral
PR:PROJECT_SUMMARY               	antidiabetic drug that promotes urinary excretion of glucose in the renal
PR:PROJECT_SUMMARY               	proximal tubules. However, how SGLT2 inhibition affects the skeletal muscle
PR:PROJECT_SUMMARY               	function in patients with diabetes remains elusive. Here, we examined the
PR:PROJECT_SUMMARY               	differential effect of CANA on the oxidative soleus and glycolytic EDL muscles
PR:PROJECT_SUMMARY               	from genetically obese diabetic db/db mice.
PR:INSTITUTE                     	Medical Institute of Bioregulation, Kyushu University
PR:DEPARTMENT                    	Metabolomics
PR:LABORATORY                    	Bamba lab.
PR:LAST_NAME                     	Takahashi
PR:FIRST_NAME                    	Masatomo
PR:ADDRESS                       	Maidashi 3-1-1, Higashi-ku, Fukuoka, Fukuoka, 8128582, Japan
PR:EMAIL                         	m-takahashi@bioreg.kyushu-u.ac.jp
PR:PHONE                         	0926426171
PR:PUBLICATIONS                  	https://onlinelibrary.wiley.com/doi/full/10.1002/jcsm.13350
PR:DOI                           	http://dx.doi.org/10.21228/M8VT66
#STUDY
ST:STUDY_TITLE                   	Improved Endurance Capacity of Diabetic Mice during SGLT2 Inhibition: Potential
ST:STUDY_TITLE                   	Role of AICARP, an Endogenous AMPK Activator.
ST:STUDY_SUMMARY                 	Diabetes is associated with an increased risk of deleterious changes in muscle
ST:STUDY_SUMMARY                 	mass and function or sarcopenia, leading to physical inactivity and worsening
ST:STUDY_SUMMARY                 	glycemic control. Given the negative energy balance during sodium-glucose
ST:STUDY_SUMMARY                 	cotransporter 2 (SGLT2) inhibition, whether SGLT2 inhibitors affect skeletal
ST:STUDY_SUMMARY                 	muscle mass and function is a matter of concern. However, how SGLT2 inhibition
ST:STUDY_SUMMARY                 	affects the skeletal muscle function in patients with diabetes remains
ST:STUDY_SUMMARY                 	insufficiently explored. We aimed to explore the effects of canagliflozin
ST:STUDY_SUMMARY                 	(CANA), an SGLT2 inhibitor, on skeletal muscles in genetically diabetic db/db
ST:STUDY_SUMMARY                 	mice.
ST:INSTITUTE                     	Medical Institute of Bioregulation, Kyushu University
ST:LAST_NAME                     	Takahashi
ST:FIRST_NAME                    	Masatomo
ST:ADDRESS                       	Maidashi 3-1-1, Higashi-ku, Fukuoka, Fukuoka, 8128582, Japan
ST:EMAIL                         	m-takahashi@bioreg.kyushu-u.ac.jp
ST:PHONE                         	0926426171
ST:SUBMIT_DATE                   	2023-05-25
#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]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	13	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=13
SUBJECT_SAMPLE_FACTORS           	-	14	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=14
SUBJECT_SAMPLE_FACTORS           	-	15	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=15
SUBJECT_SAMPLE_FACTORS           	-	16	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=16
SUBJECT_SAMPLE_FACTORS           	-	61	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=61
SUBJECT_SAMPLE_FACTORS           	-	62	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=62
SUBJECT_SAMPLE_FACTORS           	-	63	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=63
SUBJECT_SAMPLE_FACTORS           	-	64	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=64
SUBJECT_SAMPLE_FACTORS           	-	10	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=10
SUBJECT_SAMPLE_FACTORS           	-	11	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=11
SUBJECT_SAMPLE_FACTORS           	-	12	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=12
SUBJECT_SAMPLE_FACTORS           	-	57	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=57
SUBJECT_SAMPLE_FACTORS           	-	58	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=58
SUBJECT_SAMPLE_FACTORS           	-	59	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=59
SUBJECT_SAMPLE_FACTORS           	-	60	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=60
SUBJECT_SAMPLE_FACTORS           	-	9	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=9
SUBJECT_SAMPLE_FACTORS           	-	21	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=21
SUBJECT_SAMPLE_FACTORS           	-	22	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=22
SUBJECT_SAMPLE_FACTORS           	-	23	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=23
SUBJECT_SAMPLE_FACTORS           	-	24	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=24
SUBJECT_SAMPLE_FACTORS           	-	5	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=5
SUBJECT_SAMPLE_FACTORS           	-	6	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=6
SUBJECT_SAMPLE_FACTORS           	-	7	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=7
SUBJECT_SAMPLE_FACTORS           	-	8	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=8
SUBJECT_SAMPLE_FACTORS           	-	1	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=1
SUBJECT_SAMPLE_FACTORS           	-	17	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=17
SUBJECT_SAMPLE_FACTORS           	-	18	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=18
SUBJECT_SAMPLE_FACTORS           	-	19	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=19
SUBJECT_SAMPLE_FACTORS           	-	2	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=2
SUBJECT_SAMPLE_FACTORS           	-	20	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=20
SUBJECT_SAMPLE_FACTORS           	-	3	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=3
SUBJECT_SAMPLE_FACTORS           	-	4	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=4
SUBJECT_SAMPLE_FACTORS           	-	49	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=49
SUBJECT_SAMPLE_FACTORS           	-	50	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=50
SUBJECT_SAMPLE_FACTORS           	-	51	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=51
SUBJECT_SAMPLE_FACTORS           	-	52	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=52
#COLLECTION
CO:COLLECTION_SUMMARY            	All mice were housed in a pathogen-free facility and maintained on a 12-h light
CO:COLLECTION_SUMMARY            	and 12-h dark cycle with free access to normal chow diet and water. CANA was
CO:COLLECTION_SUMMARY            	mixed at 0.03% (w/w) with CRF-1 and administered to 8-week-old db/+ and db/db
CO:COLLECTION_SUMMARY            	mice for 4 weeks. Food intake was calculated for 3 consecutive days each week
CO:COLLECTION_SUMMARY            	using the mouse feeder MF-4S. At the end of the experiments, 6 h-fasted mice
CO:COLLECTION_SUMMARY            	were anesthetized with isoflurane and blood samples were obtained from the
CO:COLLECTION_SUMMARY            	inferior vena cava. Skeletal muscles including soleus and extensor digitorum
CO:COLLECTION_SUMMARY            	longus were immediately frozen and stored at -80°C for metabolome and lipidome
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Skeletal muscles
#TREATMENT
TR:TREATMENT_SUMMARY             	All mice were free access to normal chow diet and water. CANA was mixed at 0.03%
TR:TREATMENT_SUMMARY             	(w/w) with CRF-1 and administered to 8-week-old db/+ and db/db mice for 4 weeks.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted from frozen and crushed skeletal muscle (~10 mg) or
SP:SAMPLEPREP_SUMMARY            	serum (20 uL) with 1 mL of solvent mixture (methanol:chloroform:water = 10:4:4,
SP:SAMPLEPREP_SUMMARY            	v/v/v) containing piperazine-1,4-bis (2-ethanesulfonic acid) (PIPES) (0.63
SP:SAMPLEPREP_SUMMARY            	umol/L), 2-bromohypoxanthine (0.13 umol/L), free fatty acid (FA) 16:0 (13C16)
SP:SAMPLEPREP_SUMMARY            	(0.13 umol/L), diacylglycerol (DG) 15:0-18:1 (d7) (0.15 umol/L), and
SP:SAMPLEPREP_SUMMARY            	triacylglycerol (TG) 15:0-18:1 (d7) -15:0 (0.35 umol/L) as internal standards.
SP:SAMPLEPREP_SUMMARY            	The samples were vigorously mixed for 1 min and sonicated for 5 min. The
SP:SAMPLEPREP_SUMMARY            	extracts were then centrifuged at 16,000 × g for 5 min at 4°C, and the
SP:SAMPLEPREP_SUMMARY            	resultant supernatant was collected. Protein concentrations in the pellets were
SP:SAMPLEPREP_SUMMARY            	determined using a Pierce BCA Protein Assay Kit (Thermo Fisher Scientific,
SP:SAMPLEPREP_SUMMARY            	Massachusetts, USA). The collected supernatant (700 uL) was mixed with 235 uL of
SP:SAMPLEPREP_SUMMARY            	chloroform, and 155 uL of water, and then centrifuged at 16,000 × g for 5 min
SP:SAMPLEPREP_SUMMARY            	at 4°C. The aqueous (upper) layer (400 µL) was evaporated under vacuum, dried
SP:SAMPLEPREP_SUMMARY            	extracts were stored at −80°C until targeted polar metablome analysis. Prior
SP:SAMPLEPREP_SUMMARY            	to analysis, the dried aqueous layer was reconstituted in 50 uL of water. The
SP:SAMPLEPREP_SUMMARY            	organic (lower) layer (200 µL) was dried under a nitrogen stream, dried
SP:SAMPLEPREP_SUMMARY            	extracts were stored at −80°C until targeted lipidome analysis. Prior to
SP:SAMPLEPREP_SUMMARY            	analysis, the organic aqueous layer was reconstituted in 80 µL of
SP:SAMPLEPREP_SUMMARY            	methanol/chloroform (1/1, v/v)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Cationic polar metabolites (i.e., amino acids, bases, nucleosides, etc) were
CH:CHROMATOGRAPHY_SUMMARY        	analyzed via PFPP-LC/HRMS/MS.
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Merck Discovery HS F5 (PFP) (150 x 2.1mm,3um)
CH:COLUMN_TEMPERATURE            	40℃
CH:FLOW_GRADIENT                 	0%B, 0-5.0 min, 0-40%B, 5.0-15.0 min, 40-100%B, 15.0-15.1 min, 100%B, 15.1-18.0
CH:FLOW_GRADIENT                 	min, 100-0%B, 18.0-18.1 min, 0%B, 18.1-25.0 min
CH:FLOW_RATE                     	0.25 mL/min
CH:SOLVENT_A                     	0.1% formic acid in H2O
CH:SOLVENT_B                     	ACN
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	MS acquisition: FullMS (posi/nega) Data processing/software: Reifycs Cascade
MS:MS_COMMENTS                   	ver. 1.0
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	relative peak area
MS_METABOLITE_DATA_START
Samples	13	14	15	16	61	62	63	64	10	11	12	57	58	59	60	9	21	22	23	24	5	6	7	8	1	17	18	19	2	20	3	4	49	50	51	52
Factors	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	
1-Methylhistidine	0.4598	0.3124	0.6221	0.3531	1.1420	1.4707	1.7232	2.7632	0.2358	0.2151	0.2604	1.3198	2.0945	2.8547	2.0221	0.2475	0.2152	0.2221	0.1858	0.3035	0.2810	0.3616	0.3774	0.2217	0.6002	0.1921	0.3005	0.2543	0.5828	0.2451	1.1578	0.5523	3.1253	4.2600	2.0802	2.1136
3-Cyano-L-alanine	0.0119	0.0111	0.0085	0.0114					0.0232	0.0232	0.0182					0.0244	0.0093	0.0107	0.0099	0.0140	0.0192	0.0241	0.0173	0.0198	0.0258	0.0076	0.0086	0.0036	0.0184	0.0081	0.0234	0.0206	0.0052	0.0202	0.0097	0.0121
4-Guanidinobutanoate	0.0232	0.0130	0.0460	0.0124			0.0230		0.1170	0.0737	0.0738		0.1198	0.2027		0.0968	0.0453	0.0386	0.0340	0.0352	0.1114	0.1409	0.1332	0.0963	0.0662	0.0513	0.0643	0.0404	0.0325	0.0423	0.1320	0.0328			0.0413	0.0208
4-Hydroxy-L-proline	2.7947	2.3869	1.3291	2.6353	0.1962	0.2298	0.2406	0.2606	0.9474	0.6891	0.7513	0.4153	0.6633	1.0285	0.4380	0.7320	0.6518	0.7047	0.9234	0.7487	0.7290	1.4067	1.0314	0.8599	1.0917	1.2594	1.2427	1.3652	1.1603	1.3633	0.7855	0.9280	2.3635	2.8885	0.2691	0.6462
5^-Methylthioadenosine	0.1397	0.1178	0.1470	0.1358	0.0371	0.0372	0.0429	0.0667	0.1173	0.1220	0.1255	0.0237	0.0376	0.0378	0.0337	0.1297	0.0979	0.0890	0.1143	0.1275	0.1334	0.1390	0.1470	0.1058	0.1404	0.0783	0.1393	0.1376	0.1666	0.1306	0.1285	0.1185	0.0652	0.0458	0.0430	0.0392
Acetylglycine	0.0933	0.0493	0.1789	0.1176	2.2796	3.1419	3.1405	3.7250	0.1457	0.0892	0.0718	1.0771	1.2843	1.4211	1.5782	0.0728	0.0527	0.0834	0.0523	0.0691	0.0590	0.0474	0.0770	0.0407	0.1123	0.0503	0.0387	0.0257	0.0664	0.0295	0.2318	0.1272	3.3144	2.8443	1.6076	1.5789
Adenine	0.1039	0.0965	0.1174	0.1252					0.0629	0.0634	0.0690					0.0584	0.0569	0.0703	0.0755	0.0961	0.0746	0.1026	0.0983	0.0487	0.0971	0.0921	0.0958	0.1000	0.0790	0.1152	0.0893	0.0570	0.1013			
Adenosine	0.9537	2.0738	1.8614	1.4367	0.0677	0.0921	0.1288	0.2912	5.2064	3.3085	4.4708	0.0939	0.2089	0.1895	0.4928	4.3047	4.4588	1.3075	2.8322	3.5041	4.5615	4.3422	3.3068	3.9858	1.7992	1.5165	3.7030	1.6998	2.4836	2.0615	2.7642	2.3136	13.6396	0.9901	0.0900	0.1096
Adenylosuccinic acid	0.8931	0.3398	0.2373	0.8580					0.6335	0.4013	0.4620					0.5674	0.3817	0.3293	0.2375	0.2877	0.4352	0.4019	0.3382	0.4233	0.9818	0.3006	0.2848	0.1414	0.7869	0.1942	1.3865	1.6061				
Allantoin	0.2230	0.1663	0.7001	0.1574	0.5699	0.6760	0.8562	0.8121	0.1891	0.1727	0.2047	0.3551	0.4547	0.5775	0.5986	0.1705	0.1090	0.0900	0.1152	0.1211	0.1722	0.1783	0.1611	0.1458	0.2413	0.1282	0.1103	0.1082	0.1601	0.1252	0.8405	0.1779	0.8165	0.7037	0.4986	0.4297
Amino adipic acid	0.1080	0.0730	0.0772	0.0736	0.2452	0.5151	0.4472	0.4697	0.1001	0.0492	0.0579	0.3631	0.3517	0.7174	0.3742	0.0610	0.0806	0.0826	0.0786	0.0867	0.1078	0.0911	0.1091	0.0731	0.0718	0.1167	0.0960	0.0770	0.0744	0.0733	0.0567	0.0597	0.7381	0.7707	0.1608	0.2314
Beta-Alanine	1.2505	1.1798	1.3100	1.2042	0.1594	0.2168	0.1764	0.2313	1.0605	0.8933	0.8830	0.1432	0.1466	0.2436	0.1508	0.8513	1.1050	1.0097	1.1443	1.4018	0.9131	1.0061	0.9104	0.8397	0.9637	1.1639	1.0860	1.0809	0.9417	1.2371	1.1472	0.9340	0.4014	0.4001	0.1159	0.1112
Beta-glutamic acid	3.0067	3.2494	3.7231	3.2758	0.6914	0.9550	1.1235	0.9221	15.7877	11.4757	15.9465	0.6663	0.6331	1.0510	1.0724	18.9540	4.9716	4.0435	4.4016	4.7488	14.1895	13.0892	9.8338	9.1723	12.7563	4.5168	3.8197	3.1357	10.9993	3.1171	14.2081	13.0338	0.6043	0.7617	0.1075	0.2192
Betaine	1.6988	1.5598	1.1619	1.6813	23.2184	30.9241	44.5687	31.1843	3.0439	3.4226	2.5004	21.9121	22.6705	29.6193	37.9487	3.3354	1.9640	1.4099	1.9289	1.8332	2.8612	3.2561	1.9922	2.3747	2.2556	1.8337	1.8735	1.6983	2.1013	1.8789	2.4115	2.5551	25.5093	34.5156	4.4825	7.8658
Carnitine	17.7096	15.7418	17.3432	17.7819	7.5163	11.6502	10.3406	13.4037	31.1995	21.1881	30.8840	15.9707	29.0524	29.9645	39.4333	30.7918	14.0832	13.6629	15.2980	12.8948	34.9636	40.2089	29.7118	28.7788	33.5414	12.8900	18.1657	17.9098	34.3764	18.8403	34.9084	33.1258	26.6410	40.8467	4.0419	8.3662
Carnosine	61.8592	49.1812	37.4903	64.4181	0.0475	0.0513	0.0484	0.1055	10.3800	6.7742	7.7841	0.0402	0.1068	0.0981	0.0541	5.0346	15.0704	15.9420	18.2345	15.0321	6.5948	6.3787	7.1588	9.1382	4.7805	17.4957	16.7733	19.5705	10.0728	18.5822	7.4382	4.5995	0.3864	0.3434	0.0773	0.1093
Choline	4.8911	2.9943	4.2896	4.2590	7.7026	9.7138	11.2048	15.9567	6.6301	5.6970	5.3152	10.1998	13.0593	15.2530	12.8988	6.6742	7.6480	6.0782	9.0535	8.7348	4.2260	4.7188	3.0291	5.1529	4.5711	3.2567	5.6471	2.4220	3.4528	4.2585	6.1037	5.0267	11.7326	13.9781	3.8864	5.1850
Creatine	383.6278	362.4891	396.1561	391.9673	22.1592	22.6028	22.8424	30.5498	334.3519	261.2532	264.3319	24.8820	29.5667	31.2922	30.7296	270.3498	360.5097	331.7307	358.4621	428.7979	298.1855	304.8583	292.8378	264.5953	288.0167	362.3679	357.8071	328.7388	299.9561	396.1811	366.9483	286.1779	57.7923	60.8258	17.1663	21.2680
Creatinine	1.5717	1.4180	1.8672	1.3624	1.4065	2.1154	2.2480	3.0993	1.1258	0.9194	0.8921	1.4125	2.1613	4.2774	2.1101	0.9371	1.7036	1.3256	1.4704	1.4866	1.1672	1.1608	1.3020	0.9615	1.2460	1.3537	1.4888	1.5312	1.0882	1.4290	2.2369	1.0389	6.1525	5.1507	4.3189	3.9532
Cytidine	0.1213	0.0758	0.0875	0.0954	0.4897	0.9869	0.9099	1.3130	0.1624	0.1836	0.1203	0.5214	0.5470	0.7221	0.7294	0.1755	0.1906	0.1147	0.1679	0.1559	0.1596	0.1139	0.1367	0.0972	0.1325	0.0403	0.1256	0.0646	0.0852	0.0692	0.0947	0.2435	1.0686	1.0008	0.2275	0.3196
Cytosine	0.1836	0.1403	0.1821	0.1637	0.0797	0.0661	0.0698		0.1174	0.1101	0.0791	0.1416	0.0668	0.4652	0.0847	0.0848	0.1309	0.1316	0.1274	0.1530	0.0763	0.0853	0.0882	0.0702	0.0774	0.1908	0.1371	0.1287	0.1131	0.1310	0.1292	0.0958	0.1230	0.0955	0.1131	0.1069
Dimethylglycine	0.0836	0.1215	0.1541	0.0977	0.4062	0.4675	0.5226	1.0251	0.1566	0.1324	0.0914	0.6402	0.4685	0.6492	0.4528	0.1769	0.1697	0.0978	0.0992	0.1442	0.1104	0.0966	0.1084	0.0636	0.1023	0.0997	0.1198	0.0842	0.0874	0.1385	0.2108	0.1262	0.7115	1.0973	0.3321	0.3183
DL-2-Hydroxybutyric acid	0.2458	0.2440	1.0142	0.6706	39.2062	57.3712	41.2710	94.7622	0.9903	0.4958	1.1898	17.8885	11.1155	8.4798	11.9070	0.5523	1.1814	1.1331	0.7404	1.2921	0.1552	0.0591	0.0919	0.0448	0.0521	0.4300	0.1911	0.1563	0.0344	0.1520	0.8591	0.0524	7.3525	8.7198	12.6600	8.9715
Ethanolamine	0.2282	0.2032	0.1876	0.2124	0.5702	0.6410	0.7856	0.9983	0.2257	0.2276	0.2677	0.5172	0.8604	0.8274	0.8114	0.2575	0.2916	0.1928	0.2760	0.3421	0.1652	0.2505	0.1808	0.2056	0.2086	0.1790	0.2664	0.1287	0.2393	0.2276	0.3083	0.1906	1.0265	1.4509	0.2345	0.4404
Glycerol	0.0573	0.0574	0.0559	0.0471					0.0599	0.0903	0.0651					0.0397	0.0543	0.0567	0.0743	0.0779	0.0550	0.0478	0.0917	0.0408	0.0361	0.0926	0.0614	0.0701	0.0501	0.0744	0.0501	0.0546				
Glycerophosphocholine	0.6367	0.6308	0.7715	0.6333	0.4899	0.6080	0.7009	0.7528	1.6734	1.9386	1.9266	0.3534	0.5168	0.5540	0.7122	2.0582	0.7708	0.6207	0.8549	0.7247	1.3156	2.6937	1.4934	1.3828	1.3626	0.6142	0.9525	0.5207	1.0488	0.6985	1.7890	1.5341	0.2135	0.3519	0.0334	0.0935
Glycine	6.8515	5.3871	5.3589	6.8651	4.6599	6.9525	9.4816	8.5561	4.6433	4.3656	4.0221	6.0352	8.3649	8.8466	11.8504	3.6697	4.5744	4.1385	5.4531	5.3674	2.8634	4.7453	2.7929	3.3084	3.3074	4.9169	4.7359	3.5576	3.7212	5.6184	3.4771	3.2710	14.6461	18.3609	3.0623	5.0448
Glycolic acid					1.0981	1.4919	1.2562	1.2100				3.5081	1.6558	9.1508	3.2296																		1.7384	2.4729	0.7911	0.9460
Glycylglycine	0.0394	0.0280	0.0368	0.0316	0.0140	0.0195	0.0168	0.0385	0.0457	0.0476	0.0294	0.0194	0.0193	0.0163	0.0297	0.0448	0.0533	0.0407	0.0504	0.0468	0.0380	0.0459	0.0441	0.0366	0.0484	0.0364	0.0442	0.0336	0.0384	0.0402	0.0309	0.0313	0.0436	0.0304	0.0019	0.0079
Guanine	0.0031	0.0032	0.0076	0.0075					0.0078	0.0203	0.0072					0.0137	0.0141	0.0109	0.0159	0.0084	0.0452	0.0140	0.0111	0.0116	0.0156	0.0092	0.0066	0.0057	0.0053	0.0111	0.0079	0.0075				
Guanosine	0.0368	0.0313	0.0450	0.0286					0.1007	0.1020	0.0906					0.0973	0.1605	0.0571	0.1269	0.0896	0.0963	0.0850	0.0831	0.0680	0.0506	0.0203	0.1291	0.0557	0.0491	0.0544	0.0663	0.0647	4.3438	0.4201		
Histamine	0.7931	0.6936	1.0956	0.6973	0.0155			0.0661	1.3068	1.4197	0.7766		0.0795	0.0905	0.0674	0.9373	0.6450	0.6665	0.6818	0.7934	1.1054	0.9045	0.9872	1.1034	1.3179	0.8576	0.9786	0.5919	1.0858	0.7342	1.6054	1.4108	0.0770	0.0405	0.0070	0.0116
Hydroxybutyric acid (3-Hydroxybutyric acid_ 2-Hydroxyisobutyric acid)	0.1944	0.1665	0.4237	0.2721	7.9508	11.8773	10.8063	17.3789	0.3560	0.3431	0.3103	7.4836	8.0255	8.5794	10.3798	0.3239	0.2782	0.2528	0.1874	0.2769	0.2528	0.1818	0.2200	0.1809	0.1764	0.2200	0.1894	0.1942	0.1628	0.1656	0.4167	0.1772	6.0121	8.3054	4.1806	3.2470
Hypotaurine	0.5596	0.5395	0.2706	0.4793	0.0403	0.0675	0.0691	0.1466	0.8689	0.6470	0.8558	0.0151	0.2137	0.2141	0.1062	0.9477	0.3778	0.3323	0.2950	0.3691	1.0821	1.2091	1.0091	0.8811	1.1921	0.3640	0.4667	0.3355	1.4136	0.3988	0.6793	1.2068	0.3017	0.2860	0.0399	0.0624
Hypoxanthine	0.2777	0.1887	0.1721	0.2111					0.8345	0.4154	0.3252					0.5083	0.6589	0.4068	0.1924	0.2595	0.2605	0.2882	0.2638	0.4241	0.2896	0.1816	0.3547	0.0931	0.3176	0.1136	0.4166	0.9043	1.4923			
Imidazole lactate	0.0285	0.0234	0.0268	0.0303	0.0512	0.0520			0.0321	0.0277	0.0269	0.0433	0.0439	0.1199	0.0670	0.0324	0.0171	0.0184	0.0196	0.0251	0.0273	0.0357	0.0381	0.0201	0.0430	0.0170	0.0204	0.0273	0.0420	0.0240	0.0356	0.0392	0.2337	0.1585	0.0402	0.0445
Indoxyl sulfate	0.0828	0.0357	0.3641	0.0338	20.4264	33.4580	25.6987	24.2885	0.1001	0.0640	0.0411	29.5175	25.9999	53.0309	51.1081	0.0504	0.0630	0.1081	0.0716	0.0556	0.1022	0.0396	0.0973	0.0702	0.0540	0.0952	0.0611	0.0978	0.0225	0.0831	0.2995	0.0190	24.3517	20.4853	35.4696	33.8334
Inosine	0.4979	0.3510	0.3485	0.3944				0.0589	1.1550	0.6471	0.4638					0.7328	1.1392	0.4772	0.3081	0.4404	0.6868	0.5211	0.5926	0.6412	0.3833	0.2625	0.6380	0.1805	0.4682	0.2339	0.5725	0.9455	4.5475	0.4040		
L-Alanine	6.9278	7.8144	6.3376	7.2879	2.3868	3.3381	2.7629	2.5511	10.2480	8.4647	8.2450	7.5229	5.4218	7.1809	6.6079	7.3479	7.4876	6.1772	6.9982	7.8078	11.2453	13.3398	12.2218	9.0415	9.5198	9.8544	8.1188	7.4554	10.9595	10.7205	7.3610	7.1564	9.5001	11.8639	1.0523	2.2956
L-Arginine	2.6766	2.1588	1.3554	1.3339	15.5934	22.1990	12.6226	35.7430	5.5030	6.8097	3.6303	16.5538	25.9038	24.0949	42.0670	5.7921	4.6629	4.3897	3.8475	3.3404	5.7741	5.6869	6.6342	4.9458	5.6187	3.3323	3.9811	2.4226	5.0096	3.1195	2.3191	4.0177	27.7997	43.2817	4.1184	9.0059
L-Argininosuccinate	0.0480	0.0370	0.0301	0.0253	0.0499	0.0545	0.0687	0.0999	0.2403	0.4184	0.2062	0.0458	0.0567	0.1000	0.0502	0.2723	0.0560	0.0605	0.0476	0.0429	0.2535	0.1897	0.2165	0.1840	0.2974	0.0420	0.0468	0.0228	0.2430	0.0569	0.2042	0.2605	0.1188	0.0628	0.0801	0.0696
L-Asparagine	0.8351	0.6599	0.4154	0.6962	1.7559	2.9867	3.0479	3.3031	1.2931	1.2406	1.3845	3.1833	3.6841	3.6039	3.1960	1.3421	0.7709	0.6078	0.7167	0.6782	1.3118	1.7579	0.9643	1.2282	1.5063	0.5019	0.6462	0.3583	1.4817	0.6361	1.1312	1.4846	8.1551	10.6553	1.3188	2.2772
L-Asparate	1.8240	1.7964	1.3946	3.1108	0.1990	0.2952	0.3951	0.2835	2.6092	5.5568	4.9508	0.3327	0.3729	0.3029	0.4577	5.2740	0.8007	0.8415	1.2225	1.1243	4.4425	10.1217	4.0606	3.9342	9.6631	0.9059	1.2019	0.9302	8.7435	1.4849	7.8376	8.5383	1.0157	1.2616	0.1205	0.2531
L-Citrulline	0.4862	0.3432	0.5980	0.2925	1.1981	1.8790	1.5268	3.4095	0.8770	0.6525	0.6555	1.4619	1.7080	2.7090	1.6117	0.8029	0.4786	0.3721	0.4483	0.5127	0.8718	0.8828	0.7985	0.6393	0.8246	0.4994	0.4239	0.4209	0.6182	0.4509	1.0264	0.5668	1.6012	1.9628	0.7648	0.9362
L-Cysteine																																				
L-Cystine					0.8072	0.7208	0.6434	1.0150				2.1198	1.3087	1.5508	1.3415																		2.9080	4.2109	0.3145	0.7099
L-Glutamic acid	2.2959	2.3913	2.8000	2.3914	0.0736	0.1156	0.1387	0.0871	11.1556	8.7430	11.7165	0.1502	0.1103	0.1356	0.2112	13.6703	3.3896	2.8805	2.9482	3.3631	10.8733	9.1326	7.1666	6.6557	9.1251	3.2718	2.6164	2.0935	8.3835	2.2901	10.5410	8.8562	0.4763	0.5677	0.0407	0.1058
L-Glutamine	23.2166	22.5788	15.4848	19.8039	8.6185	12.1386	9.6495	17.5403	38.9270	30.8192	41.9389	12.0082	25.3437	24.9920	22.7637	32.5303	24.1383	19.6620	22.2042	24.1620	45.7202	48.7166	55.8304	32.9124	38.0414	23.7265	27.3011	22.2849	40.1854	26.6360	41.8718	31.0773	24.4832	55.5961	8.8922	15.0505
L-Histidine	2.4536	2.1031	1.8418	2.7321	3.9950	7.0835	5.1966	8.9045	4.0228	3.3566	3.2681	5.7548	6.6963	9.2557	8.2226	3.2421	2.4609	2.2087	2.2906	2.3898	4.0308	4.0742	4.8305	3.1714	3.2950	2.5899	2.6148	2.7519	3.7133	2.7199	3.0988	2.7805	6.2229	8.8692	1.9824	2.6900
L-Homoarginine			0.0170		0.0500	0.0988	0.0624	0.0888	0.0375	0.0281	0.0206	0.0596	0.0707	0.0851	0.0731	0.0252	0.0152	0.0193	0.0157	0.0139	0.0252	0.0225	0.0313	0.0206	0.0398	0.0136	0.0174	0.0106	0.0307	0.0113	0.0335	0.0308	0.1126	0.1467	0.0398	0.0494
L-Homocitrulline	0.0520	0.0290	0.1084	0.0375	0.1962	0.2532	0.3224	0.4833	0.0351	0.0353	0.0423	0.2542	0.2535	0.2980	0.2374	0.0367	0.0540	0.0457	0.0505	0.0732	0.0432	0.0402	0.0341	0.0277	0.0437	0.0433	0.0536	0.0336	0.0301	0.0448	0.1154	0.0317	0.2401	0.2147	0.1720	0.1631
L-Isoleucine	2.3200	2.5203	3.2901	2.3797	38.2932	56.4168	39.4454	70.8606	3.8335	2.6847	3.3288	65.5473	54.0258	65.4876	46.5125	3.4786	3.5280	3.3303	3.0307	3.9648	3.5971	3.6536	3.3403	2.3645	2.2489	3.3715	3.6588	3.1810	2.7674	2.5673	3.3911	2.1443	32.8171	54.5365	13.0088	17.3285
L-Kynurenine	0.0120	0.0071	0.0190	0.0098	0.1887	0.2507	0.2801	0.5312	0.0092	0.0087	0.0067	0.2350	0.3002	0.3884	0.3352	0.0082	0.0055	0.0068	0.0085	0.0093	0.0114	0.0086	0.0084	0.0067	0.0144	0.0093	0.0077	0.0071	0.0074	0.0064	0.0204	0.0110	0.3336	0.2810	0.1914	0.2026
L-Leucine	3.1492	3.0712	4.8818	3.4832	54.5997	83.2757	59.8872	110.4831	5.7422	4.2594	5.3173	126.6386	82.4040	105.2762	68.5843	5.3132	5.1682	4.9197	4.7021	5.7576	9.0062	5.7092	5.8796	3.6906	3.1077	7.9479	5.6051	5.3101	3.2547	3.7636	5.0389	3.2982	47.8921	71.0247	19.9444	25.3309
L-Lysine	3.2396	2.0888	1.6883	1.3375	8.1960	12.3855	8.9663	15.7494	6.6988	5.9354	4.1727	13.9585	15.1772	18.4011	17.7184	5.3169	4.2302	4.7574	4.1034	3.9185	9.1530	6.2630	10.0836	5.3236	7.4865	5.2358	4.2816	3.2734	6.1773	3.4105	3.0015	4.4180	17.1449	25.8589	2.9047	5.3961
L-Methionine	0.3345	0.3258	0.1543	0.2490	0.9583	1.2713	1.0662	1.4018	0.1452	0.1541	0.1067	1.3906	1.4746	2.0545	1.6267	0.1488	0.1847	0.1635	0.1822	0.1530	0.1440	0.1851	0.1777	0.1392	0.2264	0.1702	0.1891	0.1726	0.2738	0.1721	0.1114	0.1808	2.9001	4.5091	0.3633	0.8640
L-Norvaline	4.4625	4.5315	5.1054	4.5502	60.5002	81.0798	77.6001	109.4084	6.2428	6.5855	5.5239	136.4566	86.4531	121.2155	86.8069	6.5361	6.7716	5.2814	6.5554	6.7061	10.6471	6.5777	7.3729	4.9801	4.4488	10.4250	6.6000	7.0208	4.9929	5.7603	5.7268	4.5882	58.7703	93.5429	20.3795	28.1949
L-Phenylalanine	1.3626	1.0349	1.5292	1.2563	10.6266	15.9716	11.9733	22.8535	1.3992	1.1178	1.2033	16.3144	18.2528	23.7321	17.8005	1.1511	1.4227	1.4355	1.3983	1.5960	1.6106	1.3714	1.7108	1.0488	1.1285	1.5650	1.5958	1.7299	1.0226	1.2765	1.4362	1.0841	13.3942	17.4615	4.8122	6.2202
L-Proline	4.3874	3.1596	3.2766	3.8089	10.4775	15.1608	13.2382	17.3719	3.4052	4.7721	3.0720	22.6124	15.6563	29.4260	16.7587	3.6385	5.5725	3.6578	5.3726	5.6449	3.6177	4.1866	3.6601	3.3518	3.7426	4.1139	4.6212	2.8695	3.0940	5.0768	2.9441	2.5936	25.4098	27.4761	4.5809	7.6881
L-Pyroglutamic acid	0.1234	0.1868	0.1756	0.1515	0.4346	0.8575	0.5861	0.8836	0.2806	1.0358	0.1689	0.4160	0.6571	0.7626	0.8502	0.2190	0.3019	0.3602	0.3041	0.2972	0.3712	0.2362	0.2217	0.1821	0.2018	0.2291	0.2964	0.1432	0.1286	0.1609	0.2445	0.2495	1.3407	1.8939	0.5103	0.4367
L-Serine	1.6324	1.5878	2.2563	1.1796	4.0522	5.5115	3.4899	5.0090	3.8181	3.0708	1.3151	5.3385	6.2734	8.1092	9.5492	3.2799	1.5874	3.1916	3.9369	2.0500	4.2604	4.1466	4.4261	3.8363	1.6719	2.0746	1.9530	1.7744	2.2918	1.9531	3.0702	3.0050	10.7781	16.6635	3.1960	4.0624
L-Threonine	2.5163	2.6393	1.2269	2.0625	1.1350	1.4596	1.0533	1.2061	2.3208	2.3476	2.2222	3.4265	3.4427	3.1910	2.3665	2.4281	1.9630	1.7072	1.9428	1.6970	3.1047	3.4567	2.8922	2.1515	2.6628	2.3017	2.4448	1.7765	2.9654	2.2961	1.9996	2.2902	5.2278	8.9458	0.7591	1.7324
L-Tryptophan	0.7974	0.5882	0.7043	0.6627	31.7232	30.0811	29.4817	48.3948	0.5326	0.5898	0.5552	34.9421	51.2829	54.3526	52.1171	0.6261	0.7143	0.5117	0.6579	0.6785	0.5947	0.5503	0.6783	0.4292	0.6198	0.5335	0.6372	0.6396	0.5968	0.4771	0.6413	0.5294	39.7636	63.0973	9.4736	21.7430
L-Tyrosine	1.9444	1.8146	0.7710	1.4039	8.0476	10.5123	9.1787	13.1602	1.0074	1.0470	0.8610	15.7438	13.2333	17.8863	11.9769	1.1685	1.3470	0.9971	1.2596	1.1058	1.5481	1.3749	1.5087	0.9362	1.3983	1.4432	1.4736	1.4845	1.5931	1.0735	0.6055	1.0570	16.4295	24.8146	1.9689	5.0616
L-Valine	4.1744	4.2156	4.7742	4.2202	59.0656	79.4700	74.2008	106.6106	5.6901	6.1083	5.0166	135.2501	83.8225	118.3297	84.4103	6.1045	6.5212	5.1710	6.3414	6.3413	10.0249	6.0423	6.6796	4.5844	3.9924	10.0951	6.2442	6.6878	4.4856	5.3162	5.1723	3.9499	57.0447	90.4617	19.7665	27.4601
N2-Acetyl- L-lysine	0.0457	0.0312	0.0459	0.0317	0.1338	0.1966	0.1943	0.2638	0.0552	0.0448	0.0360	0.1782	0.1765	0.3320	0.2300	0.0331	0.0318	0.0354	0.0306	0.0365	0.0467	0.0375	0.0582	0.0370	0.0561	0.0281	0.0304	0.0320	0.0479	0.0288	0.0488	0.0438	0.3512	0.3245	0.1995	0.1811
N2-Acetyl-L-ornithine	0.0518	0.0342	0.0926	0.0374	1.0970	1.2364	1.3631	2.0508	0.1880	0.2164	0.2346	0.5775	0.4662	0.5630	0.6682	0.2350	0.2135	0.1474	0.1848	0.2299	0.0715	0.0799	0.0539	0.0756	0.0626	0.0699	0.0690	0.0485	0.0470	0.0699	0.1266	0.0623	0.3908	0.3616	0.2251	0.2073
N6_N6_N6-Trimethyl-L-lysine	0.3783	0.3019	0.4365	0.3366	0.1925	0.2145	0.2645	0.3817	0.3348	0.3139	0.2876	0.1567	0.3289	0.4308	0.3087	0.3028	0.3145	0.3418	0.3527	0.3134	0.3900	0.3574	0.4193	0.3745	0.3830	0.2568	0.3558	0.2680	0.3994	0.3081	0.3914	0.2994	0.4663	0.3675	0.2841	0.2572
N-Acetyl-L-aspartic acid	0.1206	0.0864	0.0691	0.0594		0.0180		0.0334	0.0976	0.0632	0.0281					0.0291	0.0717	0.0472	0.0578	0.0609	0.0342	0.0282	0.0385	0.0391	0.0475	0.0601	0.1128	0.0647	0.0483	0.0516	0.1190	0.0475	0.0452	0.0303	0.0192	0.0205
N-Acetyl-L-glutamate					0.0357	0.0618	0.0816	0.0879				0.0569	0.0600	0.1107	0.0719																		0.0734	0.0694	0.0234	0.0207
N-Acetyl-L-glutamine					0.0435	0.0639	0.0642	0.1091				0.0764	0.0735	0.1815	0.0810																		0.2264	0.1264	0.0804	0.0764
Nicotinamide	6.1186	3.4551	3.0498	5.7473	0.6956	1.0632	0.6388	1.2513	5.8701	4.1903	3.7128	1.1779	1.0952	1.3633	0.9759	5.5996	5.4621	5.2861	2.6997	3.1663	3.9226	3.9274	3.5898	4.7752	6.4980	4.0975	3.1690	2.0705	6.1015	2.6967	7.4557	10.1314	1.2624	1.4285	0.3826	0.4182
Nicotinamide mononucleotide	0.0179	0.0086	0.0124	0.0196					0.0179	0.0479	0.0232					0.0352	0.0126	0.0125	0.0127	0.0107	0.0296	0.0249	0.0299	0.0235	0.0303	0.0116	0.0142	0.0124	0.0276	0.0110	0.0354	0.0502				
N-methylethanolamine	0.0125	0.0144		0.0135	0.1785	0.2869	0.2542	1.2259		0.0141	0.0181	0.2099	0.2348	0.4886	0.8610	0.0194		0.0115											0.0153	0.0183	0.0287	0.0469	0.2688	0.5804	0.1043	0.1597
N_N-Dimethylarginine	0.1576	0.0826	0.1122	0.0859	0.3169	0.4243	0.4029	0.6044	0.1409	0.1272	0.1194	0.3039	0.4808	0.5402	0.4045	0.1480	0.0959	0.1035	0.1043	0.0937	0.1231	0.1375	0.1442	0.1130	0.1907	0.0740	0.1184	0.0812	0.1569	0.0947	0.1280	0.1158	0.6457	0.6364	0.1733	0.2224
O-Phosphoethanolamine	0.2183	0.2095	0.2451	0.2290	0.1120	0.1774	0.1873	0.2123	0.5206	0.3675	0.4838	0.1067	0.1019	0.1281	0.1661	0.4518	0.3094	0.2615	0.2207	0.2727	0.3692	0.4697	0.4413	0.3457	0.4842	0.1912	0.2544	0.2015	0.5193	0.2196	0.4559	0.4940	0.1612	0.1690	0.0415	0.0504
O-Phospho-L-serine	0.1074	0.1247	0.1230	0.1107					0.4764	0.2702	0.4723					0.5454	0.1529	0.1333	0.1656	0.1742	0.4014	0.4155	0.2786	0.2772	0.3820	0.1471	0.1400	0.1217	0.3536	0.1143	0.4158	0.3796				
Oxidized glutathione	0.4767	0.4531	0.6569	0.4648	0.0142			0.1521	2.5736	2.3462	3.1258		0.0969	0.0549		3.8125	0.7235	0.4789	0.6560	0.4939	3.0180	3.7037	1.8753	1.7574	2.3440	0.4871	0.9246	0.8909	2.1195	0.6845	1.8831	1.8900	0.0486	0.0210	0.0358	0.0268
Pantothenate	0.3939	0.2762	0.6212	0.0008	0.0057	0.0027	0.0081	0.0015	1.2296	1.1386	0.9463	0.0030	0.0071	0.0088	0.0030	1.0880	0.5241	0.4128	0.0021	0.3913	1.4194	1.5364	1.6668	1.2699	0.6755	0.6259	0.6556	0.5756	0.4445	0.6674	3.0772	0.4025	0.5236	0.0024	0.0012	0.3111
Phosphocholine	0.6775	0.5295	0.2836	0.7662	0.0646	0.0571	0.0421	0.0862	0.6552	0.5326	0.5399	0.1443	0.0500	0.0730	0.0556	0.5825	0.3992	0.3854	0.3843	0.3116	0.5327	0.6594	0.5226	0.5463	0.4025	0.3996	0.5181	0.4170	0.4939	0.3897	0.5713	0.4308	0.1584	0.1501	0.0564	0.0477
Propionic acid	0.1941	0.2799	0.2021	0.1655	0.1785	0.1806	0.1791	0.4846	0.2956	0.1362	0.1236	0.1163	0.1902	0.4216	0.2940	0.0731	0.2452	0.1700	0.2570	0.2299	0.1100	0.0731	0.1459	0.0770	0.1355	0.1961	0.1637	0.2422	0.1716	0.1909	0.1939	0.1055	0.1114	0.1938	0.0366	0.0485
Pyridoxal					0.1214	0.1125	0.1505	0.1764				0.1195	0.1909	0.2226	0.2256																		0.1164	0.1187	0.0730	0.1182
Pyruvic acid	2.4233	1.9345	0.9776	2.5199	9.5537	5.2058	7.4701	6.1312	0.2762	0.3612	0.3166	19.8106	12.9985	25.2544	13.9021	0.2887	0.2559	0.8580	1.0342	1.0772	0.3522	0.5508	0.3748	0.4740	0.3612	1.4128	0.8560	1.3238	0.6435	1.5623	0.4410	0.2884	16.4068	24.6666	2.0915	5.3551
rac 3-Hydroxyisobutyric acid	0.1463	0.1665	0.4179	0.1566	9.4899	11.5696	10.8063	16.8779	0.3392	0.2824	0.2610	7.2363	6.6398	6.6205	8.8064	0.2326	0.3430	0.2403	0.2284	0.3136	0.1948	0.1707	0.2200	0.1495	0.1459	0.1817	0.1713	0.1723	0.1470	0.1610	0.2959	0.1594	5.0309	7.3898	3.1738	2.6980
Reduced glutathione	23.7650	17.5013	17.7412	18.6530	0.0356	0.0350	0.0373	0.1489	19.0128	7.3854	17.2329	0.0248	0.0642	0.0507	0.0487	16.5589	14.3302	10.9701	10.1154	14.1857	17.2721	21.5159	13.9766	21.7660	12.4666	14.6811	12.8352	10.2153	21.7349	13.3584	28.2614	14.1455	0.1143	0.0568	0.0253	0.0199
S-Adenosyl-L-homocysteine	0.0848	0.0652	0.0451	0.0823	0.0134	0.0166	0.0135	0.0445	0.0720	0.0379	0.0372	0.0150	0.0249	0.0211	0.0235	0.0480	0.0707	0.0501	0.0366	0.0362	0.0416	0.0451	0.0410	0.0482	0.0442	0.0381	0.0550	0.0330	0.0578	0.0325	0.0531	0.0592	0.0512	0.0188	0.0083	0.0099
S-Adenosylmethionine	0.8143	0.6821	0.8445	0.6671	0.0299	0.0335	0.0370	0.0659	0.6545	0.5122	0.5755	0.0333	0.0388	0.0529	0.0497	0.6763	0.6679	0.5325	0.5967	0.6369	0.6096	0.6526	0.6399	0.5165	0.7362	0.4186	0.6553	0.5320	0.8019	0.5745	0.7164	0.8092	0.0853	0.0490	0.0399	0.0412
Taurine	32.6283	33.8919	37.1871	35.1956	5.6488	9.4737	8.9550	13.0803	48.2675	42.7810	45.8603	7.1855	8.0164	10.8004	8.4895	45.7719	42.4648	34.6325	39.3240	45.9206	45.7316	48.1043	47.3249	38.5924	43.7652	40.2783	38.4532	37.4722	44.1388	39.4403	53.4602	47.4079	18.2422	18.8686	5.2231	5.6349
Thymidine																																				
Trigonelline					0.3214	0.8914	0.5797	0.3674	0.0502	0.0446		0.2732	0.1988	0.7145	0.2873		0.0141		0.0228												0.0761		0.4862	0.3843	0.3880	0.3004
Uracil					0.1387	0.2531	0.2038	0.2684				0.2564	0.1488	0.2319	0.2040																		0.2115	0.2062	0.0459	0.0789
Uridine	0.0275	0.0229	0.0183	0.0214	0.1440	0.1874	0.1609	0.2485	0.0618	0.0444	0.0459	0.1264	0.1133	0.1621	0.2920	0.0464	0.0480	0.0333	0.0272	0.0353	0.0329	0.0319	0.0384	0.0324	0.0326	0.0128	0.0383	0.0170	0.0327	0.0165	0.0357	0.0781	0.4027	0.2845	0.0270	0.0624
Urocanic acid	0.0099	0.0075	0.0095	0.0081	0.0099	0.0214		0.0148	0.0099	0.0134	0.0075	0.0210	0.0171		0.0304	0.0047	0.0143	0.0058	0.0116	0.0166	0.0183	0.0100	0.0177	0.0064	0.0126	0.0073	0.0040	0.0027	0.0106	0.0071	0.0131	0.0075		0.0320	0.0062	0.0081
Xanthine	0.0435	0.0303	0.0280	0.0358					0.1213	0.0570	0.0508					0.0772	0.0820	0.0666	0.0307	0.0388	0.0428	0.0458	0.0384	0.0557	0.0507	0.0246	0.0523	0.0151	0.0517	0.0194	0.0673	0.1173	2.6866	0.1365		
Xanthosine					0.0514	0.0709	0.0785	0.0657	0.0070	0.0059		0.0331	0.0444	0.0543	0.0561	0.0051		0.0037			0.0061	0.0039	0.0031									0.0061	0.1069	0.0752	0.0093	0.0178
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1-Methylhistidine									
3-Cyano-L-alanine									
4-Guanidinobutanoate									
4-Hydroxy-L-proline									
5'-Methylthioadenosine									
Acetylglycine									
Adenine									
Adenosine									
Adenylosuccinic acid									
Allantoin									
Amino adipic acid									
Beta-Alanine									
Beta-glutamic acid									
Betaine									
Carnitine									
Carnosine									
Choline									
Creatine									
Creatinine									
Cytidine									
Cytosine									
Dimethylglycine									
DL-2-Hydroxybutyric acid									
Ethanolamine									
Glycerol									
Glycerophosphocholine									
Glycine									
Glycolic acid									
Glycylglycine									
Guanine									
Guanosine									
Histamine									
Hydroxybutyric acid (3-Hydroxybutyric acid, 2-Hydroxyisobutyric acid)									
Hypotaurine									
Hypoxanthine									
Imidazole lactate									
Indoxyl sulfate									
Inosine									
L-Alanine									
L-Arginine									
L-Argininosuccinate									
L-Asparagine									
L-Asparate									
L-Citrulline									
L-Cysteine									
L-Cystine									
L-Glutamic acid									
L-Glutamine									
L-Histidine									
L-Homoarginine									
L-Homocitrulline									
L-Isoleucine									
L-Kynurenine									
L-Leucine									
L-Lysine									
L-Methionine									
L-Norvaline									
L-Phenylalanine									
L-Proline									
L-Pyroglutamic acid									
L-Serine									
L-Threonine									
L-Tryptophan									
L-Tyrosine									
L-Valine									
N2-Acetyl- L-lysine									
N2-Acetyl-L-ornithine									
N6,N6,N6-Trimethyl-L-lysine									
N-Acetyl-L-aspartic acid									
N-Acetyl-L-glutamate									
N-Acetyl-L-glutamine									
Nicotinamide									
Nicotinamide mononucleotide									
N-methylethanolamine									
N,N-Dimethylarginine									
O-Phosphoethanolamine									
O-Phospho-L-serine									
Oxidized glutathione									
Pantothenate									
Phosphocholine									
Propionic acid									
Pyridoxal									
Pyruvic acid									
rac 3-Hydroxyisobutyric acid									
Reduced glutathione									
S-Adenosyl-L-homocysteine									
S-Adenosylmethionine									
Taurine									
Thymidine									
Trigonelline									
Uracil									
Uridine									
Urocanic acid									
Xanthine									
Xanthosine									
METABOLITES_END
#END