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.
Document type :
Journal articles
Complete list of metadatas

https://hal-polytechnique.archives-ouvertes.fr/hal-00922243
Contributor : Denis Roura <>
Submitted on : Friday, December 27, 2013 - 8:47:41 PM
Last modification on : Wednesday, March 20, 2019 - 12:12:02 PM

Identifiers

Collections

Citation

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, Wiley, 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⟩

Share

Metrics

Record views

104