Organic Molecular Features of Urban PM₂.₅ on Composition, Physicochemical Properties, and Toxicity Profiles

This dataset provides comprehensive molecular-level information on organic compounds in urban PM₂.₅, based on twelve months of high-resolution observation. It includes two CSV files: Molecular Formulas and Annual Abundance: A complete list of 11,843 identified molecular formulas and their monthly abundance across a full year of sampling. Structural and Toxicological Profiles: Detailed information on 2,221 structurally identified organic molecules, including their molecular structures, physicochemical properties, and predicted toxicity across seven biological endpoints (respiratory, genotoxic, neurotoxic, nephrotoxic, carcinogenic, hepatotoxic, and hematotoxic).本数据集基于为期12个月的高分辨率观测，提供了城市细颗粒物（PM₂.₅，particulate matter 2.5）中有机化合物的全面分子级信息。数据集包含两份CSV文件： 分子化学式与年度丰度：收录完整采样周期内11,843种已鉴定分子化学式及其月度丰度的完整列表。 结构与毒理学特征：包含2,221种经结构鉴定的有机分子的详细信息，涵盖其分子结构、理化性质，以及针对7类生物学终点（呼吸毒性、遗传毒性、神经毒性、肾毒性、致癌性、肝毒性与血液毒性）的预测毒性。