Real-time traceability of sorghum origin by soldering iron-based rapid evaporative ionization mass spectrometry and chemometrics.

Abstract

Sorghum is an important grain with a high economic value for liquor production. Tracing the geographical origin of sorghum is vital to guarantee the liquor flavor. Soldering iron-based rapid evaporative ionization mass spectrometry (REIMS) combined with chemometrics was developed for the real-time discrimination of the sorghum's geographical origin. The working conditions of soldering iron-based ionization were optimized, and then the obtained MS profiling data were processed using chemometrics analysis methods, including principal component analysis-linear discriminant analysis and orthogonal projection to latent structures discriminant analysis (OPLS-DA). A recognition model was established, and discriminations of sorghum samples from 10 provinces in China were achieved with a correct rate higher than 90%. On the basis of OPLS-DA, the specific ions of m/z 279.2327, 281.2479, and 283.2639 had relatively strong discrimination power for the geographical origins of sorghum. The developed method was successfully applied in the discrimination of sorghum origins. The results indicated that the soldering iron-based REIMS technique combined with chemometrics is a useful tool for direct, fast, and real-time ionization of poor conductivity samples and acquisition of metabolic profiling data.