Identification of the aromatic tertiary N-oxide functionality in protonated analytes via ion/molecule reactions in mass spectrometers

J Org Chem. 2008 Jul 4;73(13):4888-94. doi: 10.1021/jo800309u. Epub 2008 Jun 4.

Abstract

A mass spectrometric method is presented for the rapid identification of compounds that contain the aromatic N-oxide functional group. This method utilizes a gas-phase ion/molecule reaction with 2-methoxypropene that yields a stable adduct for protonated aromatic tertiary N-oxides (and with one protonated nitrone) in different mass spectrometers. A variety of protonated analytes with O- or N-containing functional groups were examined to probe the selectivity of the reaction. Besides protonated aromatic tertiary N-oxides and one nitrone, only three protonated amines were found to form a stable adduct but very slowly. All the other protonated analytes, including aliphatic tertiary N-oxides, primary N-oxides, and secondary N-oxides, are unreactive toward or react predominantly by proton transfer with 2-methoxypropene.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cyclic N-Oxides / chemistry*
  • Mass Spectrometry*
  • Molecular Structure

Substances

  • Cyclic N-Oxides