基于UPLC-Q/Orbitrap/MS/MS对白虎加人参汤的全成分分析及化学成分鉴定

Analysis and identification of chemical constituents of Baihu-plus-Renshen decoction based on UPLC-Q/Orbitrap/MS/MS

目的采用超高效液相串联-四极杆静电场轨道阱质谱(UPLC-Q/Orbitrap/MS/MS)技术,建立了一种高效的检测方法,对白虎加人参汤的化学成分进行了分析鉴定。方法采用Waters UPLC BEH C_(18)(100 mm×2.1 mm,1.7μm)色谱柱,在0.1%甲酸水溶液和0.1%甲酸乙腈溶液中以0.4 mL·min^(-1)的速度进行梯度洗脱,正负离子模式同时进行检测;根据一级高分辨质谱准确的质荷比数据、二级高分辨质谱碎片离子、色谱保留时间,结合文献报道,对检出的化合物成分进行鉴定。结果检测到74个化合物成分,包含黄酮类、生物碱类、查耳酮类、山酮类、酚类、苯丙素类、萜类、三萜类、环烯醚萜类、氨基酸类、芳香族化合物等。结论利用UPLC–Q/Orbitrap/MS/MS技术对中药复方鉴定,为其物效机制、药理作用及其质量控制的进一步研究提供了初步的理论依据。

Objective Using UPLC-Q/Orbitrap/MS/MS technology,an efficient method was established to analyze and identify the chemical constituents of Baihu-plusRenshen decoction.Methods A Waters UPLC BEH C_(18)(100 mm×2.1 mm,1.7μm)was performed in 0.1% formic acid aqueous solution(A)and 0.1% formic acid acetonitrile solution(B)at a rate of 0.4 mL·min^(-1)in gradient elution.Positive and negative ion modes were simultaneously detected.According to the accurate mass-to-charge ratio data of primary highresolution mass spectrometry,fragment ions of secondary high-resolution mass spectrometry,chromatographic retention time,combined with literature and reports,to identify the compounds which were obtained.Results 74 compound components are obtained containing flavonoids,alkaloids,chalcones,xantones,phenols,phenylpropanoids,terpenes,triterpenes,iridoids,amino acid derivatives,aromatic compounds,etc.Conclusion UPLC-Q/Orbitrap/MS/MS technology provides a preliminary theoretical basis for the identification of traditional Chinese medicine compounds,and the further study of their pharmacological mechanisms,pharmacological effects and quality control.