V‐nerve agents present information‐poor spectra, both in GC‐EI‐MS and LC‐ESI‐MS/MS, with dominant fragments/product ions corresponding to the amine‐containing residue. Hence, derivatives/isomers with the same amine residue exhibit similar mass spectral patterns, leading to ambiguity in the phosphonate structure. We present a simple approach for their structural elucidation based on two complementary experiments: ESI‐MS/MS of the original compound, which provides information about the amine moiety, and ESI‐MS/MS of the phosphonic acid hydrolysis products generated by N‐iodosuccinimide, which provides ions' characteristic of the phosphonate structure. This approach enables the structural elucidation of the original V‐agents with a higher degree of certainty.

中文翻译：

---

通过液相色谱/电喷雾电离质谱法对V型神经毒剂进行结构解析。

V-神经毒剂在GC-EI-MS和LC-ESI-MS / MS中均显示信息贫乏的谱图，并带有与含胺残基相对应的主要碎片/产物离子。因此，具有相同胺残基的衍生物/异构体表现出相似的质谱图，导致膦酸酯结构中的歧义。我们基于两个互补实验提供了一种简单的结构解析方法：原始化合物的ESI-MS / MS提供有关胺部分的信息，以及N-碘代琥珀酰亚胺生成的膦酸水解产物的ESI-MS / MS ，提供离子的膦酸酯结构特征。这种方法能够以更高的确定性对原始V-agent进行结构解析。