Table 2.

Twenty identified metabolites.

Key	Metabolites	HMDB ID	Moieties	Chemical Shifts a	VIP
1	L-lactate	HMDB0000190	αCH, βCH3	1.33 (d,J = 6.6Hz),4.13 (q,J = 4.8Hz)	1.43
2	L-alanine	HMDB0000161	βCH3	1.48 (d, J = 7.2Hz)	1.76
3	acetate	HMDB0000042	CH3	1.92 (s)	1.45
5	succinate	HMDB0000254	CH2	2.41 (s)	0.06
6	citrate	HMDB0000094	half CH2, half CH2	2.54 (d,J = 16.2 Hz), 2.70 (d, J = 15.6 Hz)	0.42
7	dimethylglycine	HMDB0000092	N-CH3, CH2	2.92 (s), 3.72 (s)	1.06
8	formate	HMDB0000142	CH	8.46 (s)	0.99
11	dimethylamine	HMDB0000087	CH3	2.73 (s)	0.82
12	methylguanidine	HMDB0001522	CH3	2.85 (s)	0.17
13	trimethylamine	HMDB0000906	CH3	2.88 (s)	0.89
14	creatinine	HMDB0000562	CH3, CH2	3.04 (s), 4.06 (s)	0.45
15	taurine	HMDB0000251	S-CH2, N-CH2	3.27 (t), 3.42 (t)	0.29
16	betaine	HMDB0000043	N(CH3)3, CH2	3.27 (s), 3.90 (s)	0.09
17	guanidinoacetate	HMDB0000128	CH2	3.80 (s)	1.94
18	hippurate	HMDB0000714	CH2, CH, CH, CH	3.97 (d,J = 6Hz), 7.55 (t,J = 7.8Hz), 7.64 (t,J = 7.8Hz), 7.84 (d,J = 7.2Hz)	0.02
19	N-methylnicotinamide	HMDB0003152	2-CH, 4-CH, 6-CH, 5-CH, CH3	9.29 (s), 8.97 (d,J = 6Hz), 8.91 (dt), 8.19 (m), 4.48 (s)	0.55
20	2-Hydroxyisobutyrate	HMDB0000729	CH3	1.36 (s)	0.36
21	glycine	HMDB0000123	CH2	3.57 (s)	1.36
22	fumaric acid	HMDB0000134	CH	6.56 (s)	0.32
28	Phenylacetylglycine	HMDB0000821	CH2, CH, CH	3.68 (s), 7.37 (m), 7.43 (m)	1.59

^a Signal position in parts per million (ppm) in relation to TPS (set to 0 ppm).