植物学报2026，Vol.61Issue(1)：90-101,12.DOI:10.11983/CBB25153
基于PTR-ToF-MS实时高效检测植物特定香气挥发性化合物含量
Real-time and High-efficiency Quantification of Plant-specific Aromatic Volatile Organic Compounds by PTR-ToF-MS
摘要
Abstract
INTRODUCTION:Volatile organic compounds(VOCs)are important secondary metabolites in plants,with significant physiological,ecological,economic,and ornamental value.Gas chromatography-mass spectrometry(GC-MS)is a classical method for detecting and analyzing plant volatile aromas and is often regarded as the gold standard.However,its sample preparation is laborious and time-consuming,and real-time detection is difficult to achieve,which limits its application in large-scale sample analyses.Therefore,there is an urgent need to develop a method capable of accurate,real-time,and rapid detection of specific plant VOCs. RATIONALE:Proton transfer reaction-time of flight-mass spectrometry(PTR-ToF-MS)enables real-time quantitative analysis of complex VOC mixtures due to its high sensitivity,rapid response,and non-destructive soft ionization mechanism.Nevertheless,its inability to effectively distinguish between volatile isomers and the tendency for compound fragmentation prevent it from fully replacing the powerful qualitative capabilities of GC-MS.Integrating the strengths of both techniques could lead to an efficient and accurate VOC detection system.Using Hedychium plants as an example,this study systematically combines GC-MS and PTR-ToF-MS to establish a technical workflow aiming to identify marker ions that can rapidly predict the emission of specific VOCs,thereby improving the efficiency of aroma compound detection. RESULTS:Using Hedychium plants as the study subject,this method details a technical framework that integrates GC-MS and PTR-ToF-MS to establish a rapid detection system for specific aromatic compounds.Key steps-including sample collection,parameter optimization,and data acquisition-are outlined.Additionally,a cross-platform data integra-tion method based on partial least squares regression(PLSR)is introduced,along with detailed code execution steps.By constructing a robust and optimized prediction model,the PTR-ToF-MS spectral peak at m/z 155.144 was identified as a stable marker for predicting linalool emissions.This result was validated in two independent aroma datasets,demonstrating the successful application of PTR-ToF-MS for rapid quantification of target aromatic components. CONCLUSION:This study addresses the limitations of GC-MS in large-scale sample applications by incorporating PTR-ToF-MS and integrating the advantages of both techniques.Using Hedychium as a model,a rapid detection system for specific aroma compounds was established,with detailed descriptions of the technical workflow and a cross-platform data integration method,including code implementation.A predictive model identified a robust marker for linalool emissions,validated across independent datasets,enabling rapid quantification of target aroma components via PTR-ToF-MS.These findings provide a new strategy for plant VOCs detection,with potential to advance detection technologies and improve efficiency and accuracy.The approach shows broad application prospects in plant physiology and ecology re-search,quality evaluation of economic crops,and aroma regulation in ornamental plants.关键词
植物香气/GC-MS/PTR-ToF-MS/实时检测/挥发性化合物Key words
plant volatiles/GC-MS/PTR-ToF-MS/real-time monitoring/volatile organic compounds引用本文复制引用
周熠玮,范燕萍..基于PTR-ToF-MS实时高效检测植物特定香气挥发性化合物含量[J].植物学报,2026,61(1):90-101,12.基金项目
广东省乡村振兴战略专项资金种业振兴行动项目(No.2024-NPY-00-038)、广东省基础与应用基础研究基金(No.2022A1515-110757)、广东省重点领域研发计划"现代种业"专项(No.2020B020220007)和广东省农业科学院科技人才引进专项资金项目(No.R2022-YJ-YB3023) （No.2024-NPY-00-038）
