Rapid analysis of complex samples using overlapping gas chromatography-mass spectrometry signals based on high-throughput approach

doi:10.3724/SP.J.1123.2016.06046

Abstract

Abstract:

Chemometric methods have been proved to be a powerful tool for the resolution of overlapping signals. However, a short elution region containing the signals of the target components must be determined prior to the calculation. It is difficult to achieve the high-throughput analysis for the gas chromatography-mass spectrometry (GC-MS) signals with long elution time. An approach based on moving window target transformation factor analysis (MWTTFA) and non-negative immune algorithm (NNIA) was developed for the resolution of multicomponent overlapping GC-MS signals. In the method, a rapid temperature program was used to make the analytes within a short retention time period, and then the chromatographic and mass spectral information of the components in the overlapping signals was calculated with the developed algorithm. In the calculation, MWTTFA was employed for testing the existence of a specific analyte in the signals, and the chromatographic information was extracted by NNIA. A mixture of 17 and 42 pesticide standard solutions were tested in full-scan mode within 10 min. The results showed that both the chromatographic and the mass spectra information of the components was extracted from the overlapping signals.

Key words: gas chromatography-mass spectrometry (GC-MS), moving window target transformation factor analysis (MWTTFA), non-negative immune algorithm (NNIA), pesticide mixed standard samples, resolution of overlapping peaks

CLC Number:

O658

LI Pao, CAI Wensheng, SHAO Xueguang. Rapid analysis of complex samples using overlapping gas chromatography-mass spectrometry signals based on high-throughput approach[J]. Chinese Journal of Chromatography, 2017, 35(1): 8-13.

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