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Methyl group transfer upon gas phase decomposition of protonated methyl benzoate and similar compounds
Author(s) -
Frański Rafał,
Gierczyk Błażej,
Zalas Maciej,
Jankowski Wojciech,
Hoffmann Marcin
Publication year - 2018
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.4069
Subject(s) - chemistry , substituent , methyl benzoate , protonation , dissociation (chemistry) , methyl group , electrospray ionization , electron ionization , molecule , mass spectrometry , tandem mass spectrometry , electrospray , medicinal chemistry , ionization , photochemistry , ion , computational chemistry , organic chemistry , group (periodic table) , chromatography
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 CO 2 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 CO 2 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.