Optimization of GC-IMS parameters and determination of volatile fingerprint of flavors and fragrances using GC-IMS

Abstract

To investigate the optimum parameters of gas chromatography ion mobility spectrometry (GC-IMS) in determination of flavors and fragrances in tobacco. The effects of reaction parameters such as chromatographic column temperature, incubation temperature, incubation time and injection volume are evaluated with the number of identified characteristic peaks, peak intensity and peak pacing as indexes by an orthogonal L9 (34) test. Furthermore, prediction of test results is conducted based on the PLS method. Particle Swarm Optimization (PSO) is used to optimize the parameters. The collection of 30 different flavors and fragrances are tested by GC – IMS which operation parameters are set according to optimal results. The results show that a total of 60 kinds of the volatile organic compounds (VOCs) are identified across all samples, including aldehydes, ketones, alcohols, esters, ethers and so on. Therefore, by means of fingerprints can infer the general composition of fragrance-base or distinguish flavors and fragrances.

Keywords

• Flavors and fragrances
• gas chromatography ion mobility spectrometry (GC-IMS)
• volatile organic compounds (VOCs)
• orthogonal experimental design
• particle swarm optimization (PSO)