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首页> 外文期刊>Rapid Communications in Mass Spectrometry: RCM >Electrospray and chemical ionization mass spectrometry of di-n-butyl sulfate. Unimolecular chemistry of its protonated form and quantification method by liquid chromatography/electrospray ionization tandem mass spectrometry
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Electrospray and chemical ionization mass spectrometry of di-n-butyl sulfate. Unimolecular chemistry of its protonated form and quantification method by liquid chromatography/electrospray ionization tandem mass spectrometry

机译：硫酸二正丁酯的电喷雾和化学电离质谱。质子化形式的单分子化学及液相色谱/电喷雾串联质谱的定量方法

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Di-n-butyl sulfate (DNBS) has been studied by electrospray (EST) and chemical (CI) ionization mass spectrometry. The use of methanol as solvent in electrospray ionization allows observation of relatively abundant [DNBS + CH3OH + H](+) ions (m/z 243) which upon collision dissociate to [DNBS + H](+) ions (m/z 211), In both ESI and CI experiments, it is found that [DNBS + H](+) ions lead to m/z 113 daughter ions. The composition of this m/z 113 fragment ion and its mechanism of formation have been established by high resolution measurements and CID-MIKE experiments. An 'internal substitution' reaction involving an ion-neutral intermediate is proposed to explain the formation of a [C8H17](+) ion (m/z 113) by loss of a H2SO4 molecule. Finally, a LC/ESI-MS/MS quantification method is proposed in which a detection limit of di-n-butyl sulfate in the ppm range is obtained. It is suggested that the quantification method might be extended to higher dialkyl sulfates. Copyright (C) 2000 John Wiley & Sons, Ltd. [References: 8]
机译：硫酸二正丁酯（DNBS）已通过电喷雾（EST）和化学（CI）电离质谱法进行了研究。在电喷雾电离中使用甲醇作为溶剂可以观察到相对大量的[DNBS + CH3OH + H]（+）离子（m / z 243），这些离子在碰撞时会解离为[DNBS + H]（+）离子（m / z 211 ），在ESI和CI实验中，都发现[DNBS + H]（+）离子导致m / z 113子离子。此m / z 113碎片离子的组成及其形成机理已通过高分辨率测量和CID-MIKE实验确定。提出了涉及离子中性中间体的“内部取代”反应，以解释由于丢失H2SO4分子而形成的[C8H17]（+）离子（m / z 113）。最后，提出了一种LC / ESI-MS / MS定量方法，该方法获得的硫酸二正丁酯的检出限在ppm范围内。建议将定量方法扩展到高级二烷基硫酸盐。版权所有（C）2000 John Wiley＆Sons，Ltd. [参考：8]

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