Differential analysis of volatiles in five types of mosquito-repellent products by chemometrics combined with headspace GC-Orbitrap HRMS nontargeted detection

Abstract

This paper reports a method for the differential analysis of volatile chemical components in five novel types of mosquito-repellent products based on chemometrics combined with headspace gas chromatography-Orbitrap high-resolution mass spectrometry (HS-GC-Orbitrap HRMS) nontargeted screening. A total of 358 unknown substances were detected in 30 samples under specific headspace conditions. Through principal component analysis and orthogonal partial least-squares discriminant analysis, 36 significantly different substances with variable importance in the projection values greater than 1 were further screened, and these substances were accurately identified by GC-Orbitrap HRMS. Most substances were found for the first time in mosquito-repellent products. The clustered heat map, Venn diagram and peak area histogram showed that the mosquito-repellent products had similar volatile composition, and the volatile species and content of different types of mosquito-repellent products significantly varied. Substances, such as eucalyptol, d-limonene, α-pinene, β-pinene, dl-menthol and methyl salicylate, may be the main sources of odour in mosquito-repellent products. This work explored the characteristic volatile components in mosquito-repellent products and comparatively analysed the chemical composition of different types of products. It can be generalised to consumer products as a case study and has positive implications for promoting product quality and safety and improving production processes.