Abstract

The fragmentation of previously inaccessible alkyl [(5-amino-1H-pyrrol-2-yl)sulfanyl]acetates under electron (70 eV) and chemical (reactant gas methane) ionization conditions was studied for the first time. Under electron ionization, all the studied compounds form a molecular ion (I_rel 7–100%), the main primary fragmentation pathway of which is associated with the C–S bond cleavage in the sulfanyl group and elimination of the ester fragment (R⁴OCOCH₂) in the form of a radical. The chemical ionization of alkyl [(5-amino-1H-pyrrol-2-yl)sulfanyl]acetates is characterized by protonation, recharging, and electrophilic addition. The base peak belongs to an [M + H]⁺ ion. Chemical ionization is accompanied by the elimination of an R⁴OCOCH₂ radical from the M^+• and [M + Et]⁺ ions and an R⁴OCOCHS molecule from the M^+• and [M + H]⁺ ions.

中文翻译：

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新杂环的质谱：XXI。电子和化学电离质谱研究烷基[（5-氨基-1 H-吡咯-2-基）硫烷基]乙酸酯

摘要

首次研究了在电子（70 eV）和化学（反应气甲烷）电离条件下先前无法获得的[（5-氨基-1 H-吡咯-2-基）硫烷基]乙酸烷基酯的裂解。在电子电离下，所有研究的化合物均形成分子离子（I _rel 7–100％），其主要主要断裂途径与硫烷基中的C–S键裂解和酯片段的消除有关（R ⁴ OCOCH ₂）以自由基的形式存在。[（5-氨基-1 H-吡咯-2-基）硫烷基]乙酸烷基酯的化学电离具有质子化，充电和亲电子加成的特征。基本峰属于[ M + H]⁺离子。化学电离伴随有M ^+•和[ M + Et] ⁺离子中的R ⁴ OCOCH ₂自由基以及M ^+•和[ M + H] ⁺离子中的R ⁴ OCOCHS分子的消除。