Research on Key Substances in the Rating of Strong Aroma Crude Spirits Based on Correlation Algorithms

Abstract

This experiment obtained the substance content of crude spirits at different distillation times using Gas Chromatography-Mass Spectrometry (GC-MS). The relationship between substance content and crude spirits rating was revealed using Spearman's rank correlation coefficient, the Maximal Information Coefficient (MIC), and Principal Component Analysis (PCA). There were 11 substances with a Spearman's coefficient greater than 0.70, 9 substances with a MIC greater than 0.6, and 6 substances in the PCA with an information extraction rate greater than 1.5×105. In combination with these three algorithms, a total of 17 substances were found to be related to the crude spirits grading. These substances are: 1,1-diethoxy-3-methylbutane, ethyl valerate, ethyl hexanoate, 2-methyl-1-butanol, ethyl caproate, ethyl lactate, ethyl nonanoate, butyl lactate, 2-hydroxy-4-methylpentanoic acid ethyl ester, isoamyl lactate, ethyl decanoate, butyric acid, (2,2-diethoxyethyl)-benzene, ethyl laurate, ethyl heptadecanoate, ethyl stearate, ethyl linolenate.