Table 3.

The information of the AGA biomarkers.

No.	tR(min)	m/z Obsd	m/z Calcd	MS/MS	PPM	Metabolites	Formula	Content Variance
								Model	High	Low	Control
1	0.79	101.0234	101.0239	53.00, 83.01	−4.95	2–Ketobutyric acid	C4H6O3	↓**	↑	↑	↑
2	0.79	143.0344	143.0344	59.01 81.03	0.00	3–Hexenedioic acid	C6H8O4	↓**	↑	↑	↑
3	0.79	85.0288	85.0290	67.01 68.99	–2.35	But–2–enoic acid	C4H6O2	↓**	↓	↑	↑
4	0.81	174.0878	174.0879	100.08 112.09	−0.57	Argininic acid	C6H13N3O3	↓**	↑	↓	↑
5	0.81	195.0487	195.0505	89.02	−9.23	Galactonic acid	C6H12O7	↓**	↑	↑	↑
6	0.84	88.0394	88.0399	88.04	−5.68	Alanine	C3H7NO2	↑**	↑	↓	↑
7	0.91	119.0342	119.0344	87.01 89.02 101.02	−1.68	Erythrulose	C4H8O4	↑*	↓	↓	↓
8	0.92	89.0235	89.0239	71.01 73.00 89.02	−4.49	Lactic acid	C3H6O3	↓**	↑	↓	↑
9	2.36	158.0814	158.0817	59.01 84.99 101.02	–1.90	3–Dehydrocarnitine	C7H13NO3	↑**	↓	↑	↓
10	2.41	192.0658	192.0661	65.04 74.02 77.04	−1.56	m–Methylhippuric acid	C10H11NO3	↑*	↑	↑#	↑
11	2.52	417.1171	417.1186	103.04 121.03	−3.60	Equol 4’–O–glucuronide	C21H22O9	↓**	↓	↑##	↓
12	2.88	159.1016	159.1021	59.01 71.03 87.01	−3.14	3–Hydroxyoctanoic acid	C8H16O3	↑*	↑	↑	↑
13	2.95	187.0059	187.0065	51.02 75.02 77.04	−3.21	p–Cresol sulfate	C7H8O4S	↑*	↓	↑#	↑
14	3.08	448.3050	448.3063	74.02 116.04	−2.90	Deoxycholic acid glycine conjugate	C26H43NO5	↓*	↓	↓##	↓##
15	3.09	465.3028	465.3039	116.04 373.27	−2.36	Glycocholic acid	C27H46O4S	↓**	↓	↑#	↑#
16	4.78	380.2552	380.2566	78.96 96.97	−3.68	Sphinganine 1–phosphate	C18H40NO5P	↓**	↓	↓	↓##
17	5.69	502.2945	502.2934	78.96 140.01 153.00	2.19	LPE (0:0/20:3)	C25H46NO7P	↓**	↑	↑	↑
18	5.76	452.2775	452.2777	98.99 140.01 196.04	–0.44	LPE (0:0/16:0)	C21H44NO7P	↓*	↑	↓	↑
19	7.04	480.3089	480.3090	78.96 196.04 265.25	−0.21	LPC (15:0)	C23H48NO7P	↓**	↑	↓#	↑##
20	7.75	543.1513	543.1536	59.01 87.01 89.02	−4.24	Estriol 3–sulfate 16–glucuronide	C24H32O12S	↑*	↓	↑	↑
21	7.76	395.2190	395.2199	62.96 96.97 113.13	−2.28	10–Hydroxy–9–(phosphonooxy)octadecanoate	C18H37O7P	↑**	↓	↑	↑
22	7.76	327.2320	327.2324	127.08 161.13 163.15	–1.22	Docosahexaenoic acid	C22H32O2	↑**	↓	↓	↑

↑**: Extremely significantly increased compared with blank group (p < 0.01); ↓**:Extremely significantly decreased compared with blank group (p < 0.01); ↑*: Significantly increased compared with blank group (p < 0.05); ↓*: Significantly decreased compared with blank group (p < 0.05); ↑##:Extremely significantly increased compared with model group (p < 0.01); ↓#: Significantly decreased compared with model group (p < 0.05); ↑#: Significantly increased compared with model group (p < 0.05); ↓##: Extremely significantly decreased compared with model group.