Methyl group transfer upon gas phase decomposition of protonated methyl benzoate and similar compounds. (14th March 2018)

• Record Type: Journal Article
• Authors: Frański, Rafał; Gierczyk, Błażej; Zalas, Maciej; Jankowski, Wojciech; Hoffmann, Marcin
• Is Part Of: Journal of mass spectrometry. Volume 53:Number 5(2018)
• Page Start: 379
• Page End: 384
• Publication Date: 2018-03-14
• Subjects: electrospray ionization -- methyl benzoate -- methyl salicylate -- methylparaben -- tandem mass spectrometry; Mass spectrometry -- Periodicals; 543.65
• DOI: 10.1002/jms.4069
• Languages: English
• ISSNs: 1076-5174

Abstract

Abstract: Gas phase decompositions of protonated methyl benzoate and its conjugates have been studied by using electrospray ionization‐collision induced dissociation‐tandem mass spectrometry. Loss of CO2 molecule, thus transfer of methyl group, has been observed. In order to better understand this process, the theoretical calculations have been performed. For methyl benzoate conjugates, it has been found that position of substituent affects the loss of CO2 molecule, not the electron donor/withdrawing properties of the substituent. Therefore, electrospray ionization‐mass spectrometry in positive ion mode may be useful for differentiation of isomers of methyl benzoate conjugates.