Marker-based authentication and chemotypic classification of Chinese scented roses using organ-specific volatile...

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.

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.

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. © 2026 Society of Chemical Industry.