川芎中内酯类化合物的质谱学规律

The Regular Patterns of Mass Spectrometry of Lactones from Ligusticum chuanxiong Hort.

质谱学在中药药效物质的结构确定中起至关重要的作用,对每一个化合物质谱的确切解释需要对每一个质谱的关键裂解过程具有足够的了解。本研究报道了川芎中具有不饱和侧链与饱和侧链内酯类化合物的质谱学规律。质谱特征峰[M+-29]和[M+-42]表明了从这些内酯类化合物的分子离子分别失去不饱和侧链上的末端烷基-C2H5和-C3H6基团,这是川芎中具有不饱和侧链内酯类化合物(如(Z)-藁本内酯、(E)-藁本内酯、丁烯基酞内酯和川芎内酯I)的典型质谱特征;质谱特征峰[M+-57]显示了从这些内酯类化合物的分子离子失去饱和侧链-C4H9基团,这是川芎中具有饱和侧链内酯类化合物(如丁基酞内酯和川芎内酯A)的典型质谱特征。

Mass spectrometry plays a crucial role in the structure elucidation of those effec- tive substances from traditional Chinese medicine. Secure interpretation of the mass spec- trum of each compound requires an adequate understanding of the key fragmentation process of the mass spectrum. In this paper, the regular patterns of mass spectrometry of lactones with unsaturated side chain and with saturated side chain from Ligusticum chuanxiong Hort. were reported. The diagnostic peaks at [M＋ --29-] and [M＋ --42] show the molecular ion of the lactones losses a --Cz H5 group and a --Ca H6 group, respectively, the terminalalkyl groups from the unsaturated side chain. They are typical characteristm ot the mass spectra of the lactones with unsaturated side chain from Ligusticum chuanxiong Hort. , such as （Z）-ligustilide, （E）-ligustilide, butylidene phthalide and senkyunolide I. The char- acteristic peak at [M＋ --57] displays the molecular ion of the lactones losses a -C4H9 group from the saturated side chain. This is typical characteristic of the mass spectra of the lactones with saturated side chain from Ligusticum chuanxiong Hort., such as bu- tylphthalide and senkyunolide A.