Applications of structural mass spectrometry to metabolomics: clarifying bond specific spectral signatures with isotope edited spectroscopy

Gorlova, Olga

Permalink

https://hdl.handle.net/2142/79382 Copy

Description

Title

Applications of structural mass spectrometry to metabolomics: clarifying bond specific spectral signatures with isotope edited spectroscopy

Author(s)

Gorlova, Olga

Contributor(s)

• Miller, Scott
• Johnson, Mark
• Colvin, Sean
• Fournier, Joseph
• Wolke, Conrad T.

Issue Date

23-Jun-15

Keyword(s)

Conformers, isomers, chirality, stereochemistry

Abstract

Comprehensive FTIR, MS/MS and NMR of pharmaceuticals are generally readily available but characterization of their metabolites has been an obstacle. Atorvastatin is a statin drug responsible for the maintenance of cholesterol in the body. Diovan is an angiostensin receptor antagonist used to treat high blood pressure and congestive heart failure. The field of metabolomics, however, is struggling to obtain the identity of their structures. We implement mass spectrometry with cryogenic ion spectroscopy to study gaseous ions of the desired metabolites which, in combination, not only identify the mass of the metabolite but also elucidate their structures through isotope-specific infrared spectroscopy.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/79382

Owning Collections