UPLC-Q-TOF-MS^E技术结合UNIFI数据库定性分析见血清醇提取物化学成分

Chemical Constituents in Roots of Liparis nervosa Alcohol Extract by UPLC-Q-TOF-MS^E Combined with UNIFI Informatics Platform

目的采用超高效液相色谱-四级杆串联飞行时间质谱(UPLC-Q-TOF-MS^E)联用技术结合UNIFI天然产物信息平台对见血清醇提取物化学成分进行快速定性分析。方法采用时间依赖型MSE模式采集样品质谱数据,结合自动检出及人工核对方法分析见血清化学成分。结果根据正负模式下的一、二级质谱图结合相关文献共推测鉴定出48个化学成分,主要包含生物碱类、黄酮类、萜类等化合物。结论本方法可以全面快速地定性分析见血清的化学成分,为见血清的质量控制和药效物质基础的阐明提供参考。

Obiective To rapidly identify the chemical constituents of Liparis nervosa alcohol extract by ultra-high performance liquid coupled with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS^E)and UNIFI informatics platform.Methods Time-dependent MSE data-acquistion mode was applied to acquire mass spectrometric data,and then the chemical constituents were identified by automatic identification and artificial identification.Results Totally 48 chemical constituents were identified based on the first and second-order mass spectra of positive and negative modes combined with relevant literature.It mainly contains alkaloids,flavonoids,terpenoids and other compounds.Conclusion UPLC-Q-TOF-MS^E combined with UNIFI database could be used to rapidly and comprehensively characterize the chemical constituents of Liparis nervosa.This study provides a reference for quality control of Liparis nervosa and clarifying the material basis of its efficacy.