基于UPLC-Q-TOF-MS/MS技术鉴定西藏胡黄连中的化学成分

Identification of chemical constituents of Picrorhiza scrophulariiflora based on UPLC-Q-TOF-MS/MS

关键词:  西藏胡黄连  UPLC-Q-TOF-MS/MS  葫芦烷型三萜  化学成分

Key words:  Picrorhiza scrophulariiflora  UPLC-Q-TOF-MS/MS  cucurbitane triterpenoid  chemical constituents

摘要:

目的 基于超高效液相色谱-串联四级杆飞行时间质谱技术检测西藏胡黄连中的化学成分。方法 采用ACQUITY UPLC HSS T3色谱柱（2.1 × 150 mm，1.8 μm），以0.1%甲酸乙腈溶液-0.1%甲酸水溶液为流动相梯度洗脱，流速0.3 mL/min，以电喷雾离子源采集正、负离子模式数据，通过保留时间、精确分子离子峰和二级质谱裂解碎片，并结合文献和对照品的相应信息鉴定西藏胡黄连的化学成分。结果 从西藏胡黄连甲醇提取物中鉴定出25个环烯醚萜，15个葫芦烷型四环三萜，11个苯乙醇苷，12个酚苷，4个酚酸和3个寡糖等共70个化合物，其中经对照品比对鉴定出10个环烯醚萜，10个葫芦烷型四环三萜，3个酚苷，4个酚酸及3个寡糖。结论 本方法可快速、准确的鉴定出西藏胡黄连多种化学成分，为寻找其药效物质基础及完善质量控制体系提供了依据。

Abstract:

OBJECTIVE Ultra-high performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) was used to detect the chemical constituents in Picrorhiza scrophulariiflora. METHODS The separation was performed on ACQUITY UPLC HSS T3 chromatographic column (2.1 × 150 mm, 1.8 μm) with gradient elution of 0.1% formic acid acetonitrile solution and 0.1% formic acid aqueous solution at a flow rate of 0.3 mL/min. Positive and negative ion mode data were collected with an electrospray ion source. The chemical constituents of Picrorhiza scrophulariiflora were identified by comparing the retention time and the mass data with those of the reference substances as well as the accurate mass, secondary fragment ions and mass spectrometry databases. RESULTS A total of 70 compounds were identified from Picrorhiza scrophulariiflora, including 25 iridoids, 15 cucurbitane type tetracyclic triterpenoids, 11 phenylethanol glycosides, 12 phenolic glycosides, 4 phenolic acids and 3 oligosaccharides. Of these, 10 iridoids, 10 cucurbitane type tetracyclic triterpenoids, 3 phenolic glycosides, 4 phenolic acids, and 3 oligosaccharides were identified through comparison with established reference standards. CONCLUSION This method can quickly and accurately identify a variety of chemical components in Picrorhiza scrophulariiflora, which would provide a reference for discovery of pharmacological substances and development of quality control.