基于UPLC-Q-TOF-MS比较雷公藤与昆明山海棠叶片的代谢产物差异

Different metabolites of leaves between Tripterygium wilfordii and Tripterygium hypoglaucum based on UPLC-Q-TOF-MS

为了区分雷公藤与昆明山海棠之间的代谢产物差异,采用UPLC-Q-TOF-MS对采自5个地区的雷公藤与昆明山海棠叶片代谢物进行分析,通过系统聚类、主成分分析研究雷公藤与昆明山海棠叶片代产物特征,利用OPLS-DA模型进一步分析,挑选出VIP>5.0,r>0.85的差异代谢物,再对差异代谢物进行mann-Whitney非参数检验,将满足P<0.001,ROC曲线下面积AUC=1的化合物确定为区分雷公藤与昆明山海棠的潜在生物标记物。结果表明,雷公藤与昆明山海棠叶片代谢物差异显著,分析次生代谢物信息,雷公藤与昆明山海棠可分为二类,同时筛选获得区分二者的潜在生物标记物23个。

To analysis the differences between Tripterygium wilfordii and T. hypoglaucum, specimens of their leaves were collected from five production regions and analyzed by ultra performanceliquid chromatography coupled with quadrupole time of night mass spec- trometry （UPLC-Q-TOF-MS）. The data were analyzed by multivariate statistical method, such as hierarchical cluster analysis （HCA）, principal component analysis （PCA） and orthogonal signal correction partial least square discrimination （OPLS-DA）. Potential mark- ers with VIP values above 5.0 and corresponding r values above 0. 85, were selected and further tested by combining mann-Whitney nonparametric. Those with P 〈 0. 001 and AUC =1 were confirmed as metabolite markers to discriminate them from each other. Results revealed that the two species were obviously different in their leaf metaboiites. Based on their mass spectra, 23 potential metabolite markers were identified to distinguish T. wilfordii from T. hypoglaucum.