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

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.

SUBMITTER: Cismesia AP

PROVIDER: S-EPMC6186386 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature

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

Cismesia Adam P AP Bell Matthew R MR Tesler Larry F LF Alves Melanie M Polfer Nicolas C NC

The Analyst 20180301 7

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 resol ...[more]

PMID: 29497730

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Dataset Information

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

Publications

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

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