TABLE 1

HRESIMS data and quantitative analysis of each metabolite in urine

Calibration curve and regression equation of 1: y = (5.89969 ± 0.21303)x − (65.20 ± 2.67), where y is peak area detected at 260 nm, x is the amount (10–1000 ng, n = 3) of 1. The correlation coefficient (r²) is 0.9994.

Cpds	Molecular Formula	HRESIMS			Quantitative Analysis
Cpds	Molecular Formula	Parent Ion	m/z Observed (Calc.)	Error	λ_max	t_R	Amount in Urine	%^{^d}
				ppm	nm	min	μmol
1					260.0, 298.5 (sh)	36.51	9.59 ± 0.20	2.64
M1	C₁₅H₂₀O₄	[M + H]⁺	265.1430 (265.1434)	−1.7	259.0, 328.5 (sh)	14.12	21.78 ± 0.22	6.00
M2	C₁₅H₂₀O₄	[M + Na]⁺	287.1241 (287.1254)	−4.5	257.5, 299.0 (sh)	20.20	17.16 ± 4.84	4.73
M3	C₁₅H₂₀O₄	[M + Na]⁺	287.1241 (287.1254)	−4.5	259.5, 329.0 (sh)	20.74	18.29 ± 0.19	5.04
M4	C₁₅H₁₆O₄	[M + Na]⁺	283.0941 (283.0941)	−0.1	254.5	23.37	5.21 ± 0.23	1.44
M5	C₂₁H₂₆O₁₀	[M − H]⁻	437.1442 (437.1453)	−2.5	258.0	24.60	6.81 ± 0.33	1.88
M6	C₁₄H₁₈O₃	[M + Na]⁺	257.1144 (257.1148)	−1.7	260.9	25.27	5.84 ± 0.46	1.61
M7	C₁₅H₁₈O₅	[M − H]⁻	277.1077 (277.1081)	−1.4	259.5	26.11	8.36 ± 1.40	2.30
M8	C₁₄H₁₈O₃	[M + Na]⁺	257.1145 (257.1148)	−1.4	260.9	27.60	0.64^{^a}	0.18
M9	C₂₁H₂₈O₉	[M − H]⁻	423.1657 (423.1661)	−0.9	260.0, 292.0 (sh)	29.61	43.87 ± 2.32^{^b}	12.09
M10	C₁₄H₁₈O₃	[M + Na]⁺	257.1142 (257.1148)	−2.4	256.0, 293.5 (sh)	29.61	2.47^{^b}	0.68
M11	C₁₅H₁₆O₄	[M + Na]⁺	283.0941 (283.0941)	+0.2	260.0, 326.0 (sh)	29.61	2.02^{^b}	0.56
M12	C₂₁H₂₈O₉	[M − H]⁻	423.1643 (423.1661)	−4.3	259.5	32.08	7.76 ± 1.58	2.14
M13	C₁₄H₁₈O₃	[M + Na]⁺	257.1145 (257.1148)	−1.4	259.9, 325.0 (sh)	35.09	0.19^{^c}	0.05
M14	C₁₅H₁₈O₄	[M − H]⁻	261.1133 (261.1132)	+0.4	261.5, 295.5 (sh)	37.27	40.83 ± 0.49	11.25
M15	C₂₀H₂₆O₈	[M − H]⁻	393.1560 (395.1555)	+1.3	259.0, 294.5 (sh)	44.20	13.72 ± 0.27	3.78
M16	C₁₆H₂₀O₄	[M + Na]⁺	299.1260 (299.1254)	+2.1	260.0, 302.4 (sh)	45.33	4.41 ± 0.01	1.21
M17	C₁₄H₁₈O₃	[M + Na]⁺	257.1147 (257.1148)	+0.4	261.5, 300.9 (sh)	46.20	0.36^{^c}	0.10
M18	C₁₄H₁₆O₃	[M − H]⁻	231.1023 (231.1027)	−1.5	258.6, 300.3 (sh)	48.39	5.03 ± 0.04	1.39
M19	C₁₄H₁₈O₂	[M + Na]⁺	241.1200 (241.1199)	+0.2	258.5, 293.5 (sh)	49.54	44.67 ± 0.55	12.31
Total								71.38

↵a Having the same retention time to the endogenous compound, and its amount being estimated from fraction U8-2 (Fig. 3b) (see Results).
↵b Three metabolites having the same retention time, and their amounts being estimated from the urine residue of the treated group (Fig. 4), U3-B-2, and U8-2 (Fig. 3) (see Results).
↵c Metabolites not detected in the urine residue of the treated group, and the amount estimated from fractions U3-B-2 and U8-2 (Fig. 3) (see Results).
↵d Calculated by the amount of each metabolite/the amount of 1 (intragastrically administered) × 100%.