基于UPLC-Triple TOF-MS/MS技术分析何首乌代谢物积累的动态变化  

Dynamic changes of metabolite accumulation of Polygoni Multifori Radix based on UPLC-Triple TOF-MS/MS

作　　者：罗益远 刘娟秀[1] 王锋[2] 刘训红[1] 王胜男[1] 华愉教 兰才武 邢清清[1] 

机构地区：[1]南京中医药大学药学院,江苏南京210023 [2]徐州生物工程职业技术学院,江苏徐州221006 [3]贵州昌昊中药发展有限公司,贵州凯里556000

出　　处：《中草药》2017年第10期2105-2110,共6页Chinese Traditional and Herbal Drugs

基　　金：国家科技支撑计划项目(2011BAI13B04);江苏高校优势学科建设工程资助项目(ysxk-2014)

摘　　要：目的分析不同采收时间何首乌Polygonum multiflorum代谢产物积累的动态变化。方法采用超高效液相色谱-串联四极杆飞行时间高分辨质谱(UPLC-Triple TOF-MS/MS)技术对不同采收时间何首乌15批样品进行测定,通过多级串联质谱分析,对其质谱数据进行峰匹配、峰对齐、滤噪处理等进行特征峰提取;采用主成分分析(PCA)和偏最小二乘法-判别分析(PLS-DA)进行数据处理;通过一级质谱精确质荷比和二级质谱碎片信息,结合软件数据库搜索及相关文献进行成分鉴别。结果不同采收时间何首乌样品间的化学组成得到明显区分;初步筛选出不同采收时间何首乌样品间25种差异显著的化学成分并鉴定出24个成分,其中共有9种差异化学成分呈现不同的变化规律。结论为揭示不同采收时间何首乌中代谢物积累动态规律及确定其药材合理采收期提供基础资料。Objective To analyze the change of chemical constituents of Polygoni Multifori Radix from different harvest time. Methods Fifteen batches of Polygoni Multifori Radix samples from different harvest time were determined by UPLC-Triple TOF-MS/MS. Through the analysis of the multistage tandem mass spectrometry, the characteristic peaks were extracted with mass spectrometry data peak matching, peak alignment, and noise filtering. Principal component analysis （PCA） and partial least-squares discriminant analysis （PLS-DA） were used for data processing. The components were identified according to a mass spectrometry accurate mass and two mass spectrometry fragmentation information, combined with the software of database search and literature. Results The chemical composition in Polygoni Multifori Radix samples from different harvest time are clearly distinguished. Twenty-four kinds of differential chemical constituents were identified. Among them, there are nine kinds of common differential constituents which presented different changing laws. Conclusion This study provides the basic data for revealing the dynamic change law of metabolite accumulation ofPolygoni Multifori Radix and confirms its optimal harvest period.

关 键 词：何首乌 超高效液相色谱.串联四极杆飞行时间高分辨质谱 代谢产物 积累动态 主成分分析 偏最小二乘法-判别分析 

分 类 号：R286.6[医药卫生—中药学]