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 - École polytechnique Access content directly
Journal Articles Rapid Communications in Mass Spectrometry Year : 2000

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

Abstract

Di-n-butyl sulfate (DNBS) has been studied by electrospray (ESI) 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 [C8H(17)]+ 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. (C) 2000 John Wiley and Sons, Ltd.
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hal-00922243 , version 1 (27-12-2013)

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D. Rondeau, Guy Bouchoux, R. Vogel, E. Müller. 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. Rapid Communications in Mass Spectrometry, 2000, 14 (15), pp.1410-1416. ⟨10.1002/1097-0231(20000815)14:15<1410::AID-RCM40>3.0.CO;2-SM40>3.0.CO;2-S⟩. ⟨hal-00922243⟩
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