Data-dependent neutral gain MS3: toward automated identification of the N-oxide functional group in drug metabolites.

@article{Habicht2010DatadependentNG,
  title={Data-dependent neutral gain MS3: toward automated identification of the N-oxide functional group in drug metabolites.},
  author={Steven C Habicht and Nelson R Vinueza and Penggao Duan and Mingkun Fu and Hilkka I Kentt{\"a}maa},
  journal={Journal of the American Society for Mass Spectrometry},
  year={2010},
  volume={21 4},
  pages={559-63}
}
We report here an automated method for the identification of N-oxide functional groups in drug metabolites by using the combination of liquid chromatography/tandem mass spectrometry (LC/MS(n)) based on ion-molecule reactions and collision-activated dissociation (CAD). Data-dependent acquisition, which has been readily utilized for metabolite characterization using CAD-based methods, is adapted for use with ion-molecule reaction-based tandem mass spectrometry by careful choice of select… CONTINUE READING