【摘要】 文中根据对侧链带正构烷基的游离卟啉标样的MS/MS(双质谱)规律实验研究的结论,通过理论推导探讨了地卟啉混合物MS/MS的定量规律,建立了一个对游离地卟啉基团配比同分异构体组成MS/MS信息进行定量解析的模型.讨论了该模型的求解方法,找出了通解并提出了计算各同分异构体组成之取值范圈的方法.结合实例计算.提出了用该模型计算处理具体数据的步骤和方法。为解决实际应用问题,建议通过迭代运算,以加权平均值作为真值的参考值,在实例计算中取得了较好的效果.更多还原

【Abstract】 Based on the experimental rules revealed by MS/MS analyses of n-alkyl porphyrin standards(J. V. Johnson et al, Anal. Chem., Vol. 58,1986),a mathematical treatment of MS/MS data of geoporphyrins for calculating the quantitive composition of geoporphyrin isomers varying on the numbers of n-alkyl groups is suggested as a mathematical modle by mathematical theorization. The solution of the equations is discussed. By calculating the true data of geoporphyrins the authors suggest to use trial and errol method with computer and take the weighted average value as the true value. The method has been proved to be efficient and the results reasonable.更多还原