title: Two-dimensional correlation spectroscopy techniques applied to ion trap tandem mass spectrometric analysis: nitroaromatics.
abstract: The technique of two-dimensional (2D) correlation spectroscopy is combined with ion trap tandem mass spectrometric (MS/MS) analysis to provide insight into the energetics and behavior of gas-phase ions. The 2D correlation method is demonstrated by the analysis of the fragment ions produced by the fragmentation of molecular radical cations of nitrobenzene and m-nitrotoluene at a series of applied potentials that effect collision-induced dissociation (CID). The asynchronous correlation intensities show that competitive loss of NO to form [M-NO]+ proceeds at a lower CID energy than loss of NO2 to form [M-NO2]+. The formation of the ion corresponding to [M-NO-CO]+ is shown by the method to occur at a lower CID energy than the formation of [M-NO2]+, but at a higher CID energy than [M-NO]+ for both nitrobenzene and m-nitrotoluene.
authors.affiliation: National Center for Forensic Science, University of Central Florida, Orlando, FL 32816, USA. msigman@mail.ucf.edu
authors.forename: Michael E
authors.initials: ME
authors.lastname: Sigman
authors.forename: C Douglas
authors.initials: CD
authors.lastname: Clark