Chemometrics-assisted analysis of chemical impurity profiles of tabun nerve agent using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry

Journal of Chromatography A(2022)

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摘要
•A model for attribution of tabun samples to a synthetic route was developed.•Identification of characteristic compounds that could be exploited for of source attribution.•The model had good classification performance and prediction performance.•We further investigated the stability of chemical attribution signatures.
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关键词
Tabun,Route-specific signatures,Chemical attribution
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