A distonic radical-ion for detection of traces of adventitious molecular oxygen (O2) in collision gases used in tandem mass spectrometers

Freneil B. Jariwala, John A. Hibbs, Carl S. Weisbecker, John Ressler, Rahul L. Khade, Yong Zhang, Athula B. Attygalle

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

(Figure Presented) We describe a diagnostic ion that enables rapid semiquantitative evaluation of the degree of oxygen contamination in the collision gases used in tandem mass spectrometers. Upon collision-induced dissociation (CID), the m/z 359 positive ion generated from the analgesic etoricoxib undergoes a facile loss of a methyl sulfone radical [ SO2(CH3); 79-Da] to produce a distonic radical cation of m/z 280. The product-ion spectrum of this m/z 280 ion, recorded under low-energy activation on tandem-in-space QqQ or QqTof mass spectrometers using nitrogen from a generator as the collision gas, or tandem-in-time ion-trap (LCQ, LTQ) mass spectrometers using purified helium as the buffer gas, showed two unexpected peaks at m/z 312 and 295. This enigmatic m/z 312 ion, which bears a mass-to-charge ratio higher than that of the precursor ion, represented an addition of molecular oxygen (O2) to the precursor ion. The exceptional affinity of the m/z 280 radical cation towards oxygen was deployed to develop a method to determine the oxygen content in collision gases.

Original languageEnglish
Pages (from-to)1670-1673
Number of pages4
JournalJournal of the American Society for Mass Spectrometry
Volume25
Issue number9
DOIs
StatePublished - Sep 2014

Keywords

  • Collision gas
  • Distonic ions
  • Etoricoxib
  • Ion-molecule reactions
  • Oxygen adducts
  • Oxygen detection
  • Radical ions

Fingerprint

Dive into the research topics of 'A distonic radical-ion for detection of traces of adventitious molecular oxygen (O2) in collision gases used in tandem mass spectrometers'. Together they form a unique fingerprint.

Cite this