Detector and column saturations are problematic in comprehensive two-dimensional gas chromatography (GC×GC) data analysis. This limits the application of GC×GC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data processing strategy that will incorporate a targeted data processing and cleaning approach upstream of the "standard" untargeted analysis. By using the retention time and mass spectrometry (MS) data stored in a library, the annotation and quantification of the targeted saturated peaks have been significantly improved. After subtracting the nonperfected signals caused by saturation, peaks of coelutes can be annotated more accurately. Our research shows that the target-guided method has broad application prospects in the data analysis of GC×GC chromatograms of complex samples.

Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis / Zhang, Penghan; Carlin, Silvia; Franceschi, Pietro; Mattivi, Fulvio; Vrhovsek, Urska. - In: ANALYTICAL CHEMISTRY. - ISSN 0003-2700. - 2022/94:4(2022), pp. 1941-1948. [10.1021/acs.analchem.1c02719]

Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis

Zhang, Penghan;Franceschi, Pietro;Mattivi, Fulvio;Vrhovsek, Urska
2022

Abstract

Detector and column saturations are problematic in comprehensive two-dimensional gas chromatography (GC×GC) data analysis. This limits the application of GC×GC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data processing strategy that will incorporate a targeted data processing and cleaning approach upstream of the "standard" untargeted analysis. By using the retention time and mass spectrometry (MS) data stored in a library, the annotation and quantification of the targeted saturated peaks have been significantly improved. After subtracting the nonperfected signals caused by saturation, peaks of coelutes can be annotated more accurately. Our research shows that the target-guided method has broad application prospects in the data analysis of GC×GC chromatograms of complex samples.
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Zhang, Penghan; Carlin, Silvia; Franceschi, Pietro; Mattivi, Fulvio; Vrhovsek, Urska
Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis / Zhang, Penghan; Carlin, Silvia; Franceschi, Pietro; Mattivi, Fulvio; Vrhovsek, Urska. - In: ANALYTICAL CHEMISTRY. - ISSN 0003-2700. - 2022/94:4(2022), pp. 1941-1948. [10.1021/acs.analchem.1c02719]
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11572/328880
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