Chaos entropy index combined with linear discriminant analysis for identification of hogwash oil

ZHENG Wenjun; CHEN Lin; WANG Xin; FANG Xiaowei; CHEN Huanwen

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Chaos entropy index combined with linear discriminant analysis for identification of hogwash oil

ZHENG Wenjun 1 *,CHEN Lin 1 #,WANG Xin 1,FANG Xiaowei 2,CHEN Huanwen 3

1.Department of Applied Chemistry, Hebei University of Technology, Tianjin 300130

2.Jiangxi Key Laboratory for Mass Spectrometry and Instrumentation, East China Institute of Technology,

3.Jiangxi Key Laboratory for Mass Spectrometry and Instrumentation, East China Institute of Technology,

*Correspondence author

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Funding: none

Opened online:11 June 2012

Accepted by: none

Citation: ZHENG Wenjun,CHEN Lin,WANG Xin.Chaos entropy index combined with linear discriminant analysis for identification of hogwash oil[OL]. [11 June 2012] http://en.paper.edu.cn/en_releasepaper/content/4481056

Based on surface desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS), a new method for identifying mixtures without pronounced characteristic markers was proposed and applied to hogwash oil's recognition. The chaos level of MS spectrograms for 33 oil samples was calculated using the new proposed concept: chaos entropy index (CEI) and the results were subjected to stepwise linear discriminant analysis (LDA). For the first time, total peaks' chaos level was treated as a criterion for identification of mixtures, which effectively avoided high misjudgment-rate problems commonly existed in traditional physical and chemical inspections. Discrimination model built by stepwise LDA based on the 5 selected parameters (101-200 m/z, 201-300 m/z, 301-400 m/z, 401-500 m/z, 501-600 m/z) achieved 100% classification in leave-1/10-out cross-validation. The oil study presented here demonstrated that CEI combined with LDA is an effective way for the identification of hogwash oils and this new method is of great significance for analyzing other complex mixtures without characteristic markers.

Keywords:Surface desorption atmospheric pressure chemical ionization mass spectrometry; Mass spectrometry; Chaos entropy index; Stepwise linear discriminant analysis; Hogwash oil; Cooking oil

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