. Author manuscript; available in PMC: 2013 May 1.

Published in final edited form as: J Chromatogr B Analyt Technol Biomed Life Sci. 2012 Mar 15;895-896:162–168. doi: 10.1016/j.jchromb.2012.03.009

Table 1.

MS/MS data from microdialysis sampling for identified compounds from metabolites of Panax notoginseng extract in rat bile.

Identification	Rt (min)	Molecular formula	Theoretical accurate mass	Q-Tof-MS (ESI⁻)	Mass accuracy (ppm)	MS/MS fragment ion (m/z)
Notoginsenoside R1^*	6.149	C₄₇H₈₀O₁₈	977.5327 [M+COOH]⁻	977.5348 [M+COOH]⁻	2.22	[M+COOH]⁻977.5348, [M-H]⁻ 931.5296, [M-H-Glc-Xyl]⁻ 637.4348
Ginsenoside Rg1^*	7.215	C₄₂H₇₂O₁₄	845.4904 [M+COOH]⁻	845.4906 [M+COOH]⁻	0.45	[M+COOH]⁻845.4906, [M-H- Glc]⁻637.4297, [M-H-2Glc]⁻ 475.3788
Ginsenoside Rb1^*	16.971	C₅₄H₉₂O₂₃	1107.6015 [M-H]⁻	1107.5935 [M-H]⁻	1.62	[M-H]⁻1107.5935,[M-Glc-H]⁻ 945.5397, [M-2Glc-H]⁻783.4878
Ginsenoside Rg2 or 20(R)- Ginsenoside Rg2	19.084 19.342	C₄₂H₇₂O₁₃	783.4877 [M-H]⁻	783.4884 [M-H]⁻	2.55	[M+COOH]⁻829.4983, [M-H]⁻ 783.4884, [M-H-Rha]⁻637.4304, [M-H-Rha-Glc]⁻475.3789
Ginsenoside Rd^*	20.573	C₄₈H₈₂O₁₈	991.5483 [M+COOH]⁻	991.5502 [M+COOH]⁻	1.99	[M+COOH]⁻991.5502, [M-H]⁻ 945.5445, [M-H-Glc]⁻783.4895, [M-H-2Glc]⁻621.4366
Ginsenoside compound K	31.360	C₃₇H₆₃O₁₀	667.4400 [M+COOH]⁻	667.4427 [M+COOH]⁻	0.13	[M+COOH]⁻667.4427, [M-H]⁻ 621.4363, [M-H-Glc]⁻459.3842
Ginsenoside Rh2	32.197	C₃₆H₆₂O₈	667.4427 [M+COOH]⁻	667.4280 [M+COOH]⁻	3.07	[M+COOH]⁻667.4280, [M-H]⁻ 621.4379, [M-H-Glc]⁻459.3793

The parent constituents in Panax notoginseng extract