Automated Peak Detection and Matching Algorithm for Gas Chromatography-Differential Mobility Spectrometry

作者：Fong Sim S; Rearden Preshious; Kanchagar Chitra; Sassetti Christopher; Trevejo Jose; Brereton Richard G^*

来源：Analytical Chemistry, 2011, 83(5): 1537-1546.

DOI：10.1021/ac102110y

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.

• 出版日期2011-3-1