【作者】 杨虹； 梁逸曾； 赵晨曦； 易伦朝； 曾映旭；

【Author】 Hong YANG Yizeng LIANG Chenxi ZHAO Lunzhao YI Yingxu Zeng College of Chemistry and Chemical Engineering,Research Center of Modernization of Chinese Medicines,Central South University,Changsha,410083,P.R.China

【机构】 中南大学化学化工学院中药现代化中心；

【摘要】 复杂体系的定性和定量分析是全世界的化学分析家的主要目标。中药是一个复杂的分析体系,其中性质相似的组分保留时间较为接近,且有相当一部分峰重叠甚至有包埋峰存在,在这种情况下,依靠质谱比对或色谱保留指数甚至两者结合都不可能准确定性,这样给色谱峰的识别和定量分析带来较大的困难,对色谱分离条件的限制也更为苛刻．联用色谱及其相关的化学计量学方法为中药复杂体系的分离和分辨提供了强有力的工具。本文介绍了一种新的化学计量学的方法转换移动窗口因子分析法(AMWFA)是一种复杂体系解析和快速比较分析的强有力工具。用气相色谱-质谱 GC-MS 实验数据中5个典型的包埋峰为例对方法进行原理和计算方法进行阐述,体现了此法的优势。更多还原

【Abstract】 The qualitative and quantitative analysis is the major object of the chemists all over the world.Chinese traditional medicine is the very complicated system,in which the character is similar and the retention time is close to each other.There exists a large number of overlapped or embedded peaks .In such a case,by direct similarity searches in MS database and assisted by comparison of temperature-programmed retention indices are hard to identify the compounds, which will even result in wrong conclusion,although the chromatographic conditions are optimized.Hyphenated instruments combined with the related chemometric methods provide powerful tool for the resolution of such complex systems in chinese traditional medicine. Alternation moving window factor analysis(AMWFA)method is a quickly and reliable method using to comparison and resolution of two-dimensional data.Five embedded peak clusters of GC-MS datum used to validate.更多还原