基于UPLC-Q-TOF/MS技术的白及中菲类化学成分分析

Profiling of the chemical.composition of phenanthrenes in Bletilla striata based on UPLC-Q-TOF /MS technology

目的采用UPLC-Q-TOF/MS技术结合整合定性策略对白及中菲类化学成分进行快速定性分析。方法采用ACQUITY UPLC HSS T3柱(100 mm×2.1 mm,1.8μm),以乙腈溶液(A)-体积分数为0.1%甲酸溶液(B)为流动相体系进行梯度洗脱,柱温为40℃,流速为0.4 mL·min^(-1);采用Xevo G2 Q-TOF质谱,ESI离子源,负离子检测模式;整合了质量亏损过滤技术、产物离子过滤技术、中性丢失过滤技术和化学结构-色谱保留关联技术,对白及的质谱测试结果进行数据挖掘,通过化学成分数据库建立、UNIFI平台自动筛查、对照品比对和人工校验核实等步骤对菲类化学成分进行表征。结果在白及中共表征了104种化学成分。结论该方法能够快速准确的表征白及中菲类化学成分,为阐明白及的药效物质基础和建立质量控制标准提供了科学依据。

Objective To rapidly identify chemical.compounds of phenanthrenes in Bletilla striata by UPLC-Q-TOF/MS and integrated qualitative strategy.Methods The UPLC conditions are as follows:ACQUITY UPLC HSS T3 reverse phase column(100 mm×2.1 mm,1.8 μm),column temperature of 40 ℃,mobile phase of acetonitrile(A)-0.1% formic acid aqueous solution(B),and flow rate of 0.4 mL·min~(-1);Xevo G2 Q-TOF mass spectrometry and electrospray ionization( ESI) source were used to collect data in negative ion modes.Integrated qualitative strategies were adopted,including mass defect filter,product ion filter,neutral loss filter and chemical structure retention relationship analysis,to screen all chemical.components in Bletilla striata.Through the establishment of.compound database,automatic screening of UNIFI platform,comparison of reference substances and manual confirmation,a total of 104 phenanthrenes.compounds were characterized in Bletilla striata.Results A total of 104 chemical.compounds of phenanthrenes in Bletilla striata were characterized.Conclusion The established method can quickly and accurately characterize the chemical.compounds of phenanthrenes in the Bletilla striata,which provides scientific basis for the study of pharmacological substance basis and quality control of Bletilla striata.