Fundamental principles for obtaining mass spectral isotopic distributions are applied to a general computer program that can be used to calculate and present in tabular and graphic form the isotopic contributions for any molecular formula. A unique feature is the retention of the isotopic distribution, exact mass, and absolute abundance for all individual peaks at each mass. Special considerations have been made for the large number of isotopic combinations that occur for many higher mass compounds. The computer program accepts the input of a molecular formula followed by interactive input of a number of parameters that affect the final presentation of the theoretical distribution profile.

中文翻译：

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计算质谱的同位素分布的一般方法。

用于获取质谱学同位素分布的基本原理已应用于通用计算机程序，该程序可用于以表格和图形形式计算和表示任何分子式的同位素贡献。独特的功能是保留同位素分布，精确的质量以及每个质量处所有单个峰的绝对丰度。对于许多更高质量的化合物中出现的大量同位素组合，已经进行了特殊考虑。该计算机程序接受分子式的输入，然后是影响理论分布曲线的最终表示的许多参数的交互输入。