Dissociation of individual isotopic peaks:: Predicting isotopic distributions of product ions in MSn
Dissociation of individual isotopic peaks:: Predicting isotopic distributions of product ions in MSn
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DOI：
10.1016/s1044-0305(03)00062-x
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发表时间：
2003-04-01
影响因子：
3.2
通讯作者：
Nelson, GJ
中科院分区：
文献类型：
--
作者：
Rockwood, AL;Kushnir, MM;Nelson, GJ
串联质谱法的传统做法是选择单一同位素离子进行解离。然而，高分子量化合物通常具有弱的单一同位素峰，这限制了该方法。此外，传统的方法没有利用来自单个非单一同位素峰的解离的同位素模式中可用的非常丰富的信息存储。解释这些同位素模式需要一个能够预测模式的理论。然而，这些模式的预测一直缺乏一个通用的理论。本文表明，图案可以得到从一定的矢量产品，外产品，全同位素分布的产品离子与全同位素分布的互补产品。与以前的方法不同，该方法适用于任意同位素复杂性的系统。这些模式对于阐明解离途径、元素组成和化学结构是潜在有用的。本文介绍了该理论的几个应用。
Traditional practice in tandem mass spectrometry is to select the mono-isotopic ion for dissociation. However, high molecular weight compounds often have weak mono-isotopic peaks, which limit that approach. Furthermore, the traditional approach does not take advantage of the very rich store of information available in the isotopic patterns from the dissociation of individual non-mono-isotopic peaks. Interpretation of these isotopic patterns requires a theory capable of predicting the patterns. However, a general theory for the prediction of these patterns has been lacking. This paper shows that the patterns can be obtained from a certain vector product, the outer product, of the full isotopic distribution of the product ion with the full isotopic distribution of the complementary product. Unlike previous approaches, the method is applicable to systems of arbitrary isotopic complexity. The patterns are potentially useful for elucidation of dissociation pathways, elemental composition, and chemical structure. The paper presents several applications of the theory.