Identification of Chemical Constituents in Suanzaoren Decoction Based on UPLC-Q-TOF-MS/MS and Multiple Analysis Strategy

OBJECTIVE To establish an UPLC-Q-TOF-MS/MS method to analyze the chemical constituents of Suanzaoren Decoction(SZRD) based on the multiple analysis strategy.

METHODS The chromatographic column was Waters ACQUITY UPLC BEH C₁₈(2.1 mm×100 mm, 1.7 μm) and the mobile phase was 0.1% formic acid-acetonitrile with gradient elution at a flow rate of 0.2 mL·min⁻¹. A novel and efficient multiple analysis strategy was developed for identification chemical constituents of SZRD. Firstly, an information-dependent acquisition mode(IDA) method combined with dynamic background subtraction(DBS) was developed to trace all low-level constituents in both positive and negative mode. Secondly, a local chemical composition library was set up for finding compounds, peakView analysis software was used to analysis the chromatogram, accurate molecular mass and fragment ion of standard solutions, the chemical constituents of SZRD were identified by summarizing mass spectrum cracking rules and retrieving literature data. Finally, an important parameter Clog P was used to estimate isomers.

RESULTS A total of 203 compounds were identified in SZRD by the above method, 42 compounds were derived from Ziziphi Spinosae Semen, 45 compounds were derived from Chuanxiong Rhizoma, 48 compounds were derived from Anemarrhenae Rhizoma, 20 compounds were derived from Poria, 84 compounds were derived from Glycyrrhizae Radix et Rhizoma and 18 compounds were from two or more herbs.

CONCLUSION This study comprehensively analyzes the chemical composition of SZRD and provides a basis for the further investigation of its pharmacodynamic substances and quality control, and also provides a reference for the analysis and identification of the chemical components of other traditional Chinese medicines.