Grade discrimination of strong aroma typeliquor based on mass spectrometry and chemometrics

Grade discrimination of Chinese liquor was benefit for controlling liquor quality and safeguarding the interests of consumers.In the study,the abundance of ions mass-to-charge ratio(m/z) ranging from 55 to 191 of 120 Yanghe Daqu liquor samples were easily collected by the headspace(HS)-solid phase microextraction(SPME)-mass spectrometry(MS) technique,without pre-treatment or chromatographic separation.By combination of partial least squares discriminant analysis(PLS-DA) and stepwise linear discriminant analysis(SLDA) method,14 characteristic ions were finally picked out and the prediction accuracy of cross validation was up to 100%.And then an artificial neural network(ANN) recognition model using the 14 ions as inputs and different grades as outputs was built,whose prediction accuracy was up to 100% within the error range of ±0.3.