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Molecules

Title:		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
Author(s):		Li C; Wan H; Wu X; Yin J; Zhu L; Chen H; Song X; Han L; Yang W; Yu H; Li Z;
Address:		"College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China. First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300193, China. Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China. State Key Laboratory of Component-Based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China"
Journal Title:		Molecules
Year:		2022
Volume:		20220708
Issue:		14
Page Number:		-
DOI:		10.3390/molecules27144393
ISSN/ISBN:		1420-3049 (Electronic) 1420-3049 (Linking)
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:		Gas Chromatography-Mass Spectrometry/methods Ion Mobility Spectrometry Least-Squares Analysis *Solid Phase Microextraction/methods *Volatile Organic Compounds/analysis Hs-gc-ims Hs-spme-gc-ms Opls-da Schizonepetae Spica volatile organic compounds;
Notes:		"MedlineLi, Chao Wan, Huiying Wu, Xinlong Yin, Jiaxin Zhu, Limin Chen, Hanjiang Song, Xinbo Han, Lifeng Yang, Wenzhi Yu, Heshui Li, Zheng eng Grant No. 81904251/National Natural Science Foundation of China/ Switzerland 2022/07/28 Molecules. 2022 Jul 8; 27(14):4393. doi: 10.3390/molecules27144393"