Mass spectral study of the occurrence of tautomeric forms of thiohydantoins

Allegretti PE; Schiavoni MD; Guzman C; Ponzinibbio A; Furlong JJP

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Mass spectral study of the occurrence of tautomeric forms of thiohydantoins

机译：巯基乙内酰脲的互变异构形式发生的质谱研究

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Mass spectrometry is used to evaluate the occurrence of thio-enol structures among the several possible tautomers of thiohydantoins and dithiohydantoins. Mass spectra of differently-substituted thiohydantoins are examined looking for common mass spectral behaviors to be predicted. Ion fragmentations from specific tautomers allow the most stable thio-enol structure for both type of compounds. The mass spectrum of the alkylation product of 5,5-dimethyldithiohydantoin and the nuclear magnetic resonance spectra of the alkylation products of both 2-thiohydantoin and dithiohydantoin support the fact that the most likely thio-enol structure is determined by the presence of one or two thio-carbonyl groups in the hydantoin molecule.

机译：质谱法用于评估硫代乙内酰脲和二硫代乙内酰脲的几种可能的互变异构体中硫代-烯醇结构的出现。检查不同取代的硫代乙内酰脲的质谱，以寻找可预测的常见质谱行为。特定互变异构体的离子裂解使两种类型的化合物都具有最稳定的硫醇结构。 5,5-二甲基二硫代乙内酰脲的烷基化产物的质谱以及2-硫代乙内酰脲和二硫代乙内酰脲的烷基化产物的核磁共振谱均支持以下事实：最可能的硫醇-烯醇结构是由一种或两种存在决定的乙内酰脲分子中的硫代羰基。

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《European journal of mass spectrometry》 |2007年第4期|共16页
作者
Allegretti PE; Schiavoni MD; Guzman C; Ponzinibbio A; Furlong JJP;
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正文语种 eng
中图分类分析化学;
关键词
tautomerism; thiohydantoins; mass spectrometry; THEORETICAL CALCULATIONS; GAS-PHASE; BETA-KETOESTERS; SPECTROMETRY; HYDANTOINS; HEATS; ENOL; 2-THIOHYDANTOINS; EQUILIBRIUM; ALKYLATION;

机译：互变异构;硫代乙内酰脲;质谱;理论计算;气相;BET-酮醚;光谱法;乙二醛;热;烯醇;2-硫代乙二醛;平衡;烷基化;

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Mass spectral study of the occurrence of tautomeric forms of thiohydantoins

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