Molecular Characterization of Dissolved Organic Matter Across Diverse Aquatic Environments Using FT-ICR MS and MS/MS

This dataset provides ultrahigh-resolution FT-ICR MS and MS/MS data of dissolved organic matter (DOM) from diverse aquatic environments, including riverine, coastal, deep ocean, mangrove porewater, wastewater effluent, and photochemically altered systems. The dataset includes raw MS/MS spectra, calibrated mass spectra, and molecular formula assignments generated using TRFuFTMSDC. A total of eight representative DOM samples are characterized. These data enable molecular-level investigation of DOM composition and environmental variability across natural and engineered aquatic systems. The dataset supports applications in environmental chemistry, biogeochemistry, aquatic science, and high-resolution mass spectrometry analysis.