基于UPLC-Q-TOF-MS技术的赤芍单萜类成分研究

Monoterpenoids from Paeoniae Radix Rubra based on UPLC-Q-TOF-MS

应用超高效液相色谱-串联四极杆飞行时间质谱法(UPLC-Q-TOF-MS)对赤芍药材的单萜类化学成分进行定性研究。采用C18HD色谱柱(2.1 mm×100 mm,2.5μm),以0.1%甲酸水(A)-乙腈(B)溶液为流动相进行梯度洗脱,流速0.4 mL·min^(-1),柱温30℃;质谱分析采用电喷雾离子源(ESI),在正、负离子模式下分别采集数据。应用Qualitative Analysis 10.0软件进行数据处理,结合对照品、裂解规律及文献质谱数据信息进行比对确认,从赤芍提取液中共鉴定出41个单萜类化合物,其中8个化合物为首次在该植物中发现,其中1个推测为新化合物5″-O-甲基没食子酰芍药苷或其位置异构体。该方法实现了赤芍单萜类化学成分的快速鉴定,为赤芍的质量控制及进一步的药效研究提供了物质基础的科学依据。

The ultra-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry(UPLC-Q-TOF-MS) was used to conduct the qualitative analysis of the monoterpene chemical components from Paeoniae Radix Rubra. Gradient elution was performed on C18HD(2.1 mm×100 mm, 2.5 μm) column with a mobile phase of 0.1% formic acid(A) and acetonitrile(B). The flow rate was 0.4 mL·min^(-1) and the column temperature was 30 ℃. MS analysis was conducted in both positive and negative ionization modes using electrospray ionization(ESI) source. Qualitative Analysis 10.0 was used for data processing. The identification of chemical components was realized by the combination of standard compounds, fragmentation patterns, and mass spectra data reported in the literature. Forty-one monoterpenoids in Paeoniae Radix Rubra extract were identified. Among them, 8 compounds were reported in Paeoniae Radix Rubra for the first time and 1 was presumed to be the new compound 5″-O-methyl-galloylpaeoniflorin or its positional isomer. The method in this study realizes the rapid identification of monoterpenoids from Paeoniae Radix Rubra and provides a material and scientific basis for quality control and further study on the pharmaceutical effect of Paeoniae Radix Rubra.