Analysis of the Chemical Constitutes of Xianglian Pill and Its Blood Components and Metabolites in Mice Based on UPLC-Q-TOF-MS/MS Technology

  OBJECTIVE  To study material basis of Xianglian Pill (XLP) in vivo and in vitro using UPLC-Q-TOF-MS/MS technique, and to qualitatively analyze the main components of Xianglian Pill as well as the prototypical components and metabolites that were absorbed into the blood.

  METHODS  A Thermo Accucore C₁₈ column(2.1 mm×100 mm, 2.6 μm) was used with 0.1% formic acid in water (A)-acetonitrile (B) as the mobile phase in a gradient elution mode, the column temperature was 40 ℃, and the flow rate was 0.4 mL·min^-1 with the injection volume of 4 μL. The mass spectrometry information was collected by using the electrospray ionization (ESI) ion source in the positive-negative ion scan mode.

  RESULTS  By analyzing the precise relative molecular mass, retention times, secondary fragments and other mass spectrometry information of the components, and comparing them with the mass spectrometry information of the corresponding control products and relevant literature information, a total of 75 chemical components were finally identified in the extract of Xianglian Pill, including alkaloids, sesquiterpenoids, flavonoids, limonins and organic acids. In addition, 16 prototypical components and 15 metabolites were identified in the plasma of the mice after the administration of the drug. Most of the prototypical components found in the plasma were alkaloids, and the metabolic pathways of these components in vivo were mainly hydroxylation, demethylation, reduction, hydrolysis, hydrogenation and glucuronidation.

  CONCLUSION  The method can be used for the rapid identification of the external and internal components of Xianglian Pill, and its analytical results lay the foundation for further basic research on the pharmacological substances.