Table 1.

Identification of astragaloside IV in rat samples using UPLC-Q-TOF-MS.

No.	Ion mode	Formula	tR(min)	Calculated(m/z)	Measured(m/z)	ppmerror	Fragments(m/z)	Metabolic Description	Metabolites Found
									Plasma	Bile	Urine	Feces
M0	[M+HCOOH−H]−	C42H70O16	6.14	829.4586	829.4562	−2.9	621, 489	Parent	No	Yes	Yes	No
M1	[M−H]−	C41H64O14	7.98	779.4218	779.4278	7.7	389.2690	dehydrogenation	No	No	No	Yes
M2	[M+HCOOH−H]−	C37H62O12	6.00	697.4163	697.4193	4.3	471.2417, 359.1884, 347.2222	Deglycosylation	No	No	Yes	No
M3	[M+HCOOH−H]−	C37H62O12	6.77	697.4163	697.4145	−2.6	471.2417, 359.1884, 347.2222	Deglycosylation	No	No	Yes	Yes
M4	[M+HCOOH−H]−	C36H60O11	6.78	667.4058	667.4044	−2	515.3008	Deglycosylation	No	Yes	No	No
M5	[M−H]−	C37H62O10	7.62	665.4265	665.4269	0.6	485.2821	Glucuronide + deglycosylation	No	No	Yes	No
M6	[M−H]−	C37H62O10	7.8	665.4265	665.4237	−4.2	485.2817	Glucuronide + deglycosylation	No	No	Yes	No
M7	[M−H]−	C36H56O11	4.32	663.3745	663.3753	1.3	615.2835, 599.2897, 583.2925, 429.1947	Glucuronide + deglycosylation	No	No	No	Yes
M8	[M+HCOOH−H]−	C36H60O10	6.96	651.4108	651.4109	0.1	553.3184, 523.3073, 405.2650, 391.2852	Deglycosylation + dehydroxylation	No	No	No	Yes
M9	[M−H]−	C36H60O8	6.43	619.421	619.4197	−2.1	453.2858, 407.2801	Deglycosylation + dehydrogenation	No	No	Yes	No
M10	[M−H]−	C30H50O8S	7.34	569.3148	569.3162	2.4	551.2433, 519.2256,485.2810, 457.2569	Deglycosylation + sulfation	No	No	Yes	No
M11	[M−H]−	C30H50O7S	7.74	553.3199	553.3212	2.3	515.0021, 485.2805	Deglycosylation + sulfation	No	No	Yes	No
M12	[M−H]−	C29H48O7S	6.4	539.3043	539.3059	3	475.2653, 453.2846, 407.2786, 405.2641	Deglycosylation + sulfation+ demethylation	No	No	Yes	No
M13	[M−H]−	C29H48O7S	6.58	539.3043	539.3036	−1.2	515.3042, 509.2585, 471.3115, 405.2654	Deglycosylation + sulfation + demethylation	No	No	No	Yes
M14	[M+HCOOH−H]−	C31H52O7	8.05	535.3635	535.364	0.9	389.2696	Deglycosylation	No	No	No	Yes
M15	[M−H]−	C29H48O6S	8.93	523.3094	523.3094	0.1	389.2691	Deglycosylation + sulfation + demethylation + deoxygenation	No	No	No	Yes
M16	[M−H]−	C29H46O5	6.89	473.3267	473.3263	−0.9	451.2698, 447.1326, 405.2639	Deglycosylation + deoxygenation	No	No	Yes	No
M17	[M−H]−	C46H76O20	7.91	959.4852	959.487	1.9	485.2800, 469.2490	Glucuronidation	Yes	No	No	No
M18	[M−H]−	C42H72O17S	7.62	879.4412	879.4387	−2.9	651.0512, 469.2489	Sulfateconjugation	Yes	No	No	No
M19	[M−H]−	C42H72O17S	7.81	879.4412	879.4373	−3.9	651.0512, 469.2489	Sulfateconjugation	Yes	No	No	No
M20	[M−H]−	C42H70O15	8.14	813.4637	813.4667	3.7	775.5131, 455.2400, 387.2538	Methoxylation	No	No	Yes	No
M21	[M−H]−	C41H64O16	6.92	811.4116	811.4180	7.8	405.2648	Glucuronide + deglycosylation	No	No	No	Yes
M22	[M−H]−	C42H66O15	6.86	809.4324	809.4262	−7.6	451.2686, 405.2628	Glucuronide + deglycosylation + dehydrogenation	No	No	Yes	No