Infrared ion spectroscopy: an analytical tool for the study of metabolites

The Analyst
Adam P CismesiaNicolas C Polfer

Abstract

Vibrational ion spectroscopy techniques coupled with mass spectrometry are applied to standard metabolites as a proof-of-principle demonstration for the structural identification of unknown metabolites. The traditional room temperature infrared multiple photon dissociation (IRMPD) spectroscopy technique is shown to differentiate chemical moieties in isobaric and isomeric variants. These results are compared to infrared spectra of cryogenically cooled analyte ions, showing enhanced spectral resolution, and thus also improved differentiation between closely related molecules, such as isomers. The cryogenic spectroscopy is effected in a recently developed mass-selective cryogenic linear ion trap, which is capable of high sensitivity and the ability to measure the IR spectra of multiple analytes simultaneously.

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Citations

Jan 16, 2021·International Journal of Molecular Sciences·Davide CorintiMaria Elisa Crestoni
May 13, 2021·Chemical Reviews·Ricardo M BorgesRyan S Renslow
May 31, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Marie-Pierre Gaigeot
Aug 1, 2018·Journal of the American Society for Mass Spectrometry·Larry F TeslerNicolas C Polfer
Apr 15, 2020·Analytical Chemistry·Ruben F KranenburgArian C van Asten
Oct 6, 2021·Mass Spectrometry Reviews·Andreas ZappeKevin Pagel

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Methods Mentioned

BETA
nuclear magnetic resonance
NMR
irradiate

Software Mentioned

Gabedit
NumPy

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