biostudies-literatureSong CNational Key R&D Program of Chinathe Basic Agricultural Research Project of Wenzhou3781https://www.ebi.ac.uk/biostudies/studies/S-EPMC12472610biostudies-literatureUnknown30(18)Volatile organic compounds (VOCs) play critical roles in broccoli's sensory attributes, defense mechanisms, and ecological interactions, yet comprehensive profiling of its volatilome remains limited. This study aimed to construct a robust and inclusive volatile metabolite database for broccoli using advanced analytical techniques. A pooled sample comprising florets from 191 cultivars was prepared to capture broad chemical diversity and analyzed using solid-phase microextraction-gas chromatography-high-resolution mass spectrometry (SPME-GC-HRMS) under dual ionization modes: electron ionization (EI) and chemical ionization (CI). A total of 206 VOCs spanning nine chemical classes were detected, with 37 compounds further confirmed through synchronized CI analysis. To validate the database, broMolecules (Basel, Switzerland)Dual-Ionization SPME-GC-HRMS Metabolomic Profiling of Broccoli Volatiles for the Construction of a Broccoli Metabolic Database.PMC124726102022YFE0108300N20220013Yan MZou HLi JLin SHu ZSong CYan XfalseDual-Ionization SPME-GC-HRMS Metabolomic Profiling of Broccoli Volatiles for the Construction of a Broccoli Metabolic Database.Volatile organic compounds (VOCs) play critical roles in broccoli's sensory attributes, defense mechanisms, and ecological interactions, yet comprehensive profiling of its volatilome remains limited. This study aimed to construct a robust and inclusive volatile metabolite database for broccoli using advanced analytical techniques. A pooled sample comprising florets from 191 cultivars was prepared to capture broad chemical diversity and analyzed using solid-phase microextraction-gas chromatography-high-resolution mass spectrometry (SPME-GC-HRMS) under dual ionization modes: electron ionization (EI) and chemical ionization (CI). A total of 206 VOCs spanning nine chemical classes were detected, with 37 compounds further confirmed through synchronized CI analysis. To validate the database, bro2025-01-01T00:00:00Z2025 Sep2026-05-01T03:20:13.547Z2026-05-01T03:11:20.391ZS-EPMC124726104101167210.3390/molecules30183781