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Selective Gas-Phase Mass Tagging via Ion/Molecule Reactions Combined with Single Analyzer Neutral Loss Scans to Probe Pharmaceutical Mixtures

  • Dalton T. Snyder
  • Lucas J. Szalwinski
  • Alice L. Pilo
  • Nina K. Jarrah
  • R. Graham CooksEmail author
Focus: Ion Mobility Spectrometry (IMS): Research Article

Abstract

We have demonstrated the use of a simple single ion trap mass spectrometer to identify classes of compounds as well as individual components in complex mixtures. First, a neutral reagent was used to mass tag oxygen-containing analytes using a gas-phase ion/molecule reaction. Then, a neutral loss scan was used to indicate the carboxylic acids. The lack of unit mass selectivity in the neutral loss scan required subsequent product ion scans to confirm the presence and identity of the individual carboxylic acids. The neutral loss scan technique reduced the number of data-dependent MS/MS scans required to confirm identification of signals as protonated carboxylic acids. The method was demonstrated on neat mixtures of standard carboxylic acids as well as on solutions of relevant pharmaceutical tablets and may be generalizable to other ion/molecule reactions.

Keywords

Ion/molecule reaction Linear ion trap Neutral loss scan Carboxylic acid 

Notes

Acknowledgements

The authors acknowledge funding from Merck & Co., Inc. and from NASA Planetary Sciences Division, Science Mission Directorate (NNX16AJ25G). This work was also funded by a NASA Space Technology Research Fellowship (DTS). Ryan Hilger and Mark Carlsen (Jonathan Amy Facility for Chemical Instrumentation) are thanked for modifications to the LTQ instrument for orthogonal double resonance capabilities. The authors finally thank Dr. Joann Max (Eli Lilly) for help with ion/molecule reactions and Rob Schrader for the table of contents graphic.

Supplementary material

13361_2019_2149_MOESM1_ESM.docx (58 kb)
ESM 1 (DOCX 58 kb)

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Copyright information

© American Society for Mass Spectrometry 2019

Authors and Affiliations

  1. 1.Department of ChemistryPurdue UniversityWest LafayetteUSA
  2. 2.Analytical Research and DevelopmentMerck & Co., Inc.RahwayUSA

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