UPLC-MS结合模式识别用于罗汉果不同部位化学成分的比较分析

Comparative analysis of chemical constituents in different parts of Siraitia grosvenorii using UPLC-MS combined with pattern recognition

目的采用超高效液相色谱-飞行时间质谱(UPLC-TOF-MS)技术建立了罗汉果不同部位(果瓤、果皮、叶、茎)化学成分的分析方法。方法色谱分离采用Waters Acquity HSS C18色谱柱(100 mm×2.1 mm,1.7μm),0.1%甲酸水溶液-乙腈梯度洗脱。质谱分析采用电喷雾离子源,负离子模式检测;所得数据应用主成分分析法(PCA)进行模式识别。结果 PCA结果显示,果瓤和果皮的成分类似,但与叶、茎部位存在显著差异;13种对分类贡献较大的特征化合物被筛选为"标志物";利用TOF-MS精确分子质量、同位素匹配以及色谱保留规律,鉴定出其中5种罗汉果苷(果实标志物)和5种黄酮苷(叶、茎标志物)。结论为罗汉果不同部位的识别和化学成分的比较提供了一种新模式,并为其活性研究提供了科学数据。

Objective To develop an ultra performance liquid chromatography/time-of-flight mass spectrometry （UPLC/TOF-MS） method for the comparative analysis of chemical constituents in the different parts （pulp, pericarp, leaf, and stem） of Siraitia grosvenorii. Methods Chromatographic separation was performed on the Waters Acquity HSS C18 column （100 mm×2.1 mm, 1.7μm） and eluted by gradient way with the mobile phase of 0.1% formic acid in watet-acetunitrile. Electrospray ionization source was used for the mass spectrometric analysis under negative ion mode. The obtained data were then analyzed via pattern recognition using principle component analysis （PCA）. Results The PCA indicated that the constituents existed in the pulp and pericarp were similar, which were significantly different from those in the leaf and stem. Thirteen characteristic compounds accounting for such variations were screened as ＂markers＂. TOF-MS was used for accurating molecular mass, isotopic matching, and chromatographic retention regulation, five mogrosides （markers of fruit） and five flavonol glycosides （markers of leaf and stem） were identified. Conclusion This research could provide a novel pattern for the identification and comparison of chemical constituents in the different parts of S. grosvenorii and the scientific information for the study On its active components.