Discrimination and Characterization of the Volatile Organic Compounds in Schizonepetae Spica from Six Regions of China Using HS-GC-IMS and HS-SPME-GC-MS

Molecules. 2022 Jul 8;27(14):4393. doi: 10.3390/molecules27144393.

Abstract

Volatile organic compounds (VOCs) are the main chemical components of Schizonepetae Spica (SS), which have positive effects on the quality evaluation of SS. In this study, HS-SPME-GC-MS (headspace solid-phase microextraction-gas chromatography-mass spectrometry) and HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) were performed to characterize the VOCs of SS from six different regions. A total of 82 VOCs were identified. In addition, this work compared the suitability of two instruments to distinguish SS from different habitats. The regional classification using orthogonal partial least squares discriminant analysis (OPLS-DA) shows that the HS-GC-IMS method can classify samples better than the HS-SPME-GC-MS. This study provided a reference method for identification of the SS from different origins.

Keywords: HS-GC-IMS; HS-SPME-GC-MS; OPLS-DA; Schizonepetae Spica; volatile organic compounds.

MeSH terms

  • Gas Chromatography-Mass Spectrometry / methods
  • Ion Mobility Spectrometry
  • Least-Squares Analysis
  • Solid Phase Microextraction* / methods
  • Volatile Organic Compounds* / analysis

Substances

  • Volatile Organic Compounds