Identification of Chemical Constituents in Bufei Jianpi Formula by UPLC-Q-TOF-MS/MS / 中国实验方剂学杂志

ABSTRACT

Objective:To identify and analyze the chemical constituents in Bufei Jianpi formula by UPLC-Q-TOF-MS/MS. Method:An Agilent Poroshell SB-C18 column (4.6 mm×100 mm, 2.7 μm) was used with a mobile phase system of 0.1% formic acid solution (A)-acetonitrile (B) for gradient elution (0-10 min, 3%B; 10-100 min, 3%-50%B; 100-120 min, 50%-100%B) under positive ion mode and water (A)-acetonitrile (B) for gradient elution (0-5 min, 3%B; 5-60 min, 3%-100%B) under negative ion mode, the flow rate was 0.6 mL·min-1, and the column temperature was 30 ℃. Mass spectrometric data were obtained under electrospray inoization (ESI) in positive and negative ion modes, the collection range was m/z 50-1 000.Agilent MassHunter Qualitative Analysis software was used to extract and match chromatographic peaks. Result:Combined with reference, related literature and database analysis, 95 compounds were identified by mass spectrometry information, including 41 flavonoids, 23 alkaloids, 12 lignans, 9 organic acids, and 10 other compounds. Conclusion:The chemical composition of Bufei Jianpi formula is complex, and the cracking rules of different components are different. Flavonoids are prone to deglycosylation, dehydration, Diels-Alder reaction (RDA) cleavage of the ring during lysis, and loss of some neutral molecules such as CO, CO2, CHO. Lignans has a substituent such as a hydroxyl group, a carbonyl group or a methoxy group on the benzene ring, and it is easy to obtain a fragment ion which loses H2O or CO. The basic structure of organic acids is a phenolic hydroxyl group-substituted aromatic ring, acrylic acid, fatty acid or the like, this kind of compound is easy to lose H2O and COOH in negative ion mode, and it is easy to break at the carbonyl to form fragment ions. This established method is rapid, sensitive and accurate, which can quickly identify the chemical constituents in Bufei Jianpi formula and provide evidences for clarifying efficacy material base of this formula.