基于超高效液相色谱-四极杆-飞行时间串联质谱联用技术的黄英咳喘糖浆化学成分分析

Characterization of Components in Huangying Kechuan Syrup by Ultra-high Liquid Chromatography Tandem Quadrupole-time-of-flight Mass Spectrometry

采用超高效液相色谱-四极杆-飞行时间串联质谱联用技术(UPLC-Q-TOF-MS^(E)),结合UNIFI科学信息系统分析鉴定黄英咳喘糖浆中化学成分。使用Waters CORTECS Shield RP18 C18色谱柱(4.6 mm×100 mm,2.7μm)和乙腈(A)-0.1%甲酸水溶液(B)流动相系统进行梯度洗脱;质谱采用电喷雾(ESI)离子源,通过UPLC-Q-TOF-MS^(E)技术在正、负离子模式下采集质谱数据,将化合物精确相对分子质量和串联质谱信息通过UNIFI软件进行辅助解析,结合对照品质谱信息以及相关参考文献,共推断和鉴定出化合物93个,其中包含生物碱类9个、黄酮类43个、三萜及三萜皂苷类21个、氰苷类2个、有机酸类13个、其它类6个。UPLC-Q-TOF-MS^(E)法可快速、高效地对黄英咳喘糖浆进行全成分分析,为进一步筛选该药的药效成分、提高产品质量控制标准提供了科学依据。

The ultra-high liquid chromatography tandem quadrupole-time-of-flight mass spectrometry(UPLC-Q-TOF-MS^(E))technology was applied to analyze the chemical constituents of Huangying Kechuan Syrup(HYKCS),and UNIFI software was used to assist the analysis.A Waters CORTECS Shield RP18 C18 column(4.6 mm×100 mm,2.7μm)was used with methanol(A)-0.1%formic acid solution(B)as the mobile phase for gradient elution Electrospray(ESI)ion source was used for mass spectrometry,and UPLC-Q-TOF-MS^(E)technology was used to collect mass spectrometry data in positive and negative ion modes.The precise molecular weights and tandem mass spectrometry data of the compound were analyzed with the UNIFI software according to the spectrum information and related references.Finally,a total of 93 compounds were inferred and identified,including 9 alkaloids,43 flavonoids,21 triterpenes and triterpene saponins,2 cyanide glycosides,13 organic acids and 6 other compounds.UPLC-Q-TOF-MS^(E)technology could be used to analyze the total components of Huangying Kechuan Syrup rapidly and efficiently.This study provides a scientific basis for further screening the active ingredients and improving the quality control standard of the product.