气相色谱/质谱-化学计量学法分析测定药对桃仁-红花挥发油

Analysis of Volatile Oil in Semen Persicae-Flos Carthami by Gas Chromatography-Mass Spectrometry and Chemometric Resolution Method

药对是中药配伍中最基本、最常用的形式,具有中药配伍的基本特点。药对化学是复方化学的核心内容。联用色谱和化学计量学方法是分析中药复方复杂体系的有效工具。采用GC/MS法分离测定了药对桃仁-红花、单味药桃仁和红花的挥发油成分,并对其重叠色谱峰采用化学计量学解析法进行了分辨,得到药对和各单味药的纯色谱曲线和质谱。药对桃仁-红花、单味药桃仁和红花分辨出的色谱峰,通过质谱库对其进行定性,分别得到84、27和52个定性结果,占总含量的92.06%、89.43%和94%。实验结果表明:桃仁-红花挥发油成分与单味药桃仁和红花的存在较大差别,也不是两者挥发油成分之加和。

Determination of volatile components in herbal pair Semen Persicae-Flos Carthami （ SP-FC）, single herb SP and FC was performed using two-dimensional GC-MS data coupled with chemometric resolution method （CRM）. With the help of CRM, the two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound. By these methods upon two-dimensional data, 27, 52, and 84 volatile chemical components in essential oil of SP, FC, and herbal pair SP-FC were respectively analyzed qualitatively and quantitatively, accounting for 92.06% , 89.43%, and 94.37% total contents of essential oil of SP, FC, and herbal pair SP-FC respectively. It is further demonstrated that the volatile components of herbal pair SP-FC are almost completely different from that of single herb SP or FC and are not the addition of that of two single herbs because of chemical reactions and physical changes occurred in the process of decocting two single herbs. This means that chemical components especially pharmacologically active compounds in the recipe might be different from that of single herbs in traditional Chinese medicine.