Automated peak detection and matching algorithm for gas chromatography-differential mobility spectrometry

Anal Chem. 2011 Mar 1;83(5):1537-46. doi: 10.1021/ac102110y. Epub 2011 Jan 4.

Abstract

A gas chromatography-differential mobility spectrometer (GC-DMS) involves a portable and selective mass analyzer that may be applied to chemical detection in the field. Existing approaches examine whole profiles and do not attempt to resolve peaks. A new approach for peak detection in the 2D GC-DMS chromatograms is reported. This method is demonstrated on three case studies: a simulated case study; a case study of headspace gas analysis of Mycobacterium tuberculosis (MTb) cultures consisting of three matching GC-DMS and GC-MS chromatograms; a case study consisting of 41 GC-DMS chromatograms of headspace gas analysis of MTb culture and media.

MeSH terms

  • Algorithms*
  • Automation*
  • Chromatography, Gas / methods*
  • Mycobacterium tuberculosis / chemistry