Characterization of thrombin/factor Xa inhibitors in Rhizoma Chuanxiong through UPLC-MS-based multivariate statistical analysis

Table 1 Detailed information of eight marker compounds obtained from OPLS-DA S-plot in Chuanxiong fractions

Marker compounds	t_R (min)–m/z	Ions	VIP	Formula (neutral form)	Identification
a*	7.07–193	[M+H]⁺	16.09	C₁₂H₁₆O₂	Senkyunolide A
b*	12.90–783	[2M+Na]⁺	15.41	C₂₄H₂₈O₄	Ligustilide dimer
c*	12.52–191	[M+H-ligustilide]⁺	13.97	C₂₄H₂₈O₄	Ligustilide dimer
d*	8.22–191	[M+H]⁺	13.52	C₁₂H₁₄O₂	Z-Ligustilide
e*	7.77–191	[M+H]⁺	12.19	C₁₂H₁₄O₂	Ligustilide isomer
f*	8.12–177	[M+H-H₂O]⁺	12.10	C₁₀H₁₀O₄	Ferulic acid
g*	4.05–207	[M+H-H₂O]⁺	8.00	C₁₂H₁₆O₄	Senkyunolide I
h^#	3.45–499	[M+H-H₂O]⁺	14.17	C₂₅H₂₄O₁₂	Isochlorogenic acid A

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