Smith-Waterman Peak Alignment for Comprehensive Two-dimensional Gas Chromatography Mass Spectrometry

Background: Comprehensive two-dimensional gas chromatography coupled with mass spectrometry (GC × GCMS) is a powerful technique which has gained increasing attention over the last two decades. The GC × GC-MS provides much increased separation capacity, chemical selectivity and sensitivity for complex sample analysis and brings more accurate information about compound retention times and mass spectra. Despite these advantages, the retention times of the resolved peaks on the two-dimensional gas chromatographic columns are always shifted due to experimental variations, introducing difficulty in the data processing for metabolomics analysis. Therefore, the retention time variation must be adjusted in order to compare multiple metabolic profiles obtained from different conditions. Results: We developed novel peak alignment algorithms for both homogeneous (acquired under the identical experimental conditions) and heterogeneous (acquired under the different experimental conditions) GC × ...

• Type: Journal
• Year: 2011
• Where: BMCBI
• Authors: Seongho Kim, Imhoi Koo, Aiqin Fang, Xiang Zhang
• Keywords: Alignment Algorithms, Biometrics, BMCBI 2011, Chemical Selectivity, Gc Gc