Mass spectrometry data for molecular-level characterization of urban aerosol analogues in controlled atmospheric simulations.

This dataset contains processed mass spectrometry data supporting the characterization of urban aerosol analogues generated in controlled atmospheric simulations. The data include UPLC/ESI-IMS-QTOFMS measurements for particle-phase molecular characterization (32 distinct organic compounds reported in manuscript) and PTR-TOF-MS data for gas-phase volatile organic compounds analysis (23 distinct VOCs). Two atmospheric scenarios were investigated: standard urban (traffic + biogenic emissions) and biomass burning enhanced (additional residential heating). All data were collected using the PolluRisk platform (CESAM atmospheric simulation chamber, LISA laboratory, France) under reproducible photochemical aging conditions. The dataset contains 4 essential files: PTR-TOF-MS peak identification (168 entries), QTOF Series 1 and 2 identified compounds (563 and 1531 entries), and final curated compound list (58 compounds with detailed characterization).