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Updated: Sep 18, 2025

Profiling Volatile Compounds in Blackcurrant Fruit using Headspace Solid-Phase Microextraction Coupled to Gas Chromatography-Mass Spectrometry
Published on: June 9, 2021
Comprehensive characterization of flavor compounds in goji berry by HS-SPME-GCMS combined with AntDAS-GCMS for
Lu Han1,2, Wan-Ting Zou1,2, Wen-Xin Wang1,2
1College of Pharmacy, Ningxia Medical University, Yinchuan 750004, China.
Abstract:
The accurate and comprehensive characterization of flavor compounds in Ningxia Goji berry (Lycii Fructus) to provide an accurate geographical discrimination model remains unrealized. Here, a novel strategy that integrates headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) with our newly developed GC-MS data analysis software, AntDAS-GCMS, was employed for the accurate tracing of samples from typical cultivated zones of China, including Ningxia, Gansu, Qinghai, and Xinjiang province. Parameters of HS-SPME were optimized using the resolved components from AntDAS-GCMS. Information on volatile compounds (VOCs) was collected with GC-MS under the optimized HS-SPME. Raw GC-MS data files were automatically analyzed via AntDAS-GCMS to perform component resolution, time-shift correction and registration, chemometric analysis, and compound identification. A total of 275 components were screened, based on which 30 VOCs were identified. Four chemometric models were evaluated through Monte-Carlo simulation, and the partial least squares-discrimination provided the best geographical discrimination performance with the identified compounds.
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