Marker‐based authentication and chemotypic classification of Chinese scented roses using organ‐specific volatile organic compound fingerprints from GC ‐ IMS and GC  ×  GC ‐ TOF MS

BACKGROUND: Reliable authentication and quality evaluation of scented rose raw materials require robust and reproducible chemical markers. However, most previous studies have treated rose flowers as uniform structures, and organ-level variation in volatile organic compounds (VOCs) has remained insufficiently characterized. In the present study, gas chromatography-ion mobility spectrometry (GC-IMS) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC × GC-TOF MS) were integrated to establish an organ-resolved VOC profiling framework for eight scented rose cultivars. RESULTS: Petals, stamens and calyces exhibited distinct VOC patterns, revealing organ-specific specialization in volatile emissions. GC-IMS fingerprinting showed distinct organ-dependent distribution features, while GC × GC-TOF MS identified 106 volatile compounds across the eight cultivars. Multivariate analyses separated floral organs based on GC-IMS data and classified cultivars based on GC × GC-TOF MS profiles. Variable-importance screening identified 37 VOCs as diagnostic chemomarkers. Based on these markers, the cultivars were consistently classified into three aroma chemotypes: an oriental type enriched in eugenol, methyl eugenol and α-farnesene; a classic European type dominated by citronellol, phenylethyl alcohol and geraniol; and a tea-like type characterized by 3,5-dimethoxytoluene and theaspirane. CONCLUSION: This VOC profiling strategy provides a chemical basis for authentication, chemotype classification and quality control of scented rose materials. The identified organ-specific markers and chemotype-related volatiles also provide useful guidance for cultivar selection, fragrance-oriented breeding and industrial evaluation of rose-derived ingredients.