咖啡因可可碱和茶碱的电喷雾质谱

STUDY ON ELECTROSPRAY MASS SPECTRA OF CAFFEINE, THEOBROMBSE AND THEOPHYLLINE

对嘌呤生物碱的咖啡因、可可碱和茶碱的电喷雾质谱进行了研究。CONE电压较低时,3个生物碱不发生裂解,其各自的[M+H]^+峰为基峰,可获得分子量信息。CONE电压升高后,3个生物碱均发生主要裂解,其中咖啡因和茶碱较可可碱易发生裂解,这些裂解方式可用于结构分析。

Electrospray Mass Spectrometry has been used to analyse caffeine, theobromine and theo-phylline. In the low cone voltage analysis, there are no any fragments in the spectra of the alkaloids. The molecular mass information of these alkaloids can be obtained from the base peak of [ M + H] + respective-ly . In the high cone voltage analysis, three alkaloids take place main fragmentation. The fragmentation of caffeine and theophylline is easier than that of theobromine. These main fragmentation patterns can be used to analyse their structures.