Blood Exposome Database Compounds with DDA spectra coverage

The last column in the CSV file has the DDA spectra (publicly available) count for blood exposome database compound list. First block on the InchiKey was used to query the spectral data that was downloaded from the MONA, GNPS, MSDIAL repositories. It can be useful for prioritizing compounds that need to be purchased for new DDA data collection, or they can be candidates for in-silico fragmentation analyses.该逗号分隔值（Comma-Separated Values，CSV）文件的最后一列，统计了血液暴露组数据库化合物列表对应的数据依赖性采集（Data-Dependent Acquisition，DDA）谱图（公开可用）的数量。研究人员以InChIKey的首个区块作为检索关键词，对从MONA、GNPS、MSDIAL数据库仓库下载的光谱数据进行了检索。该数据集可用于优先筛选需采购以开展新型DDA数据采集工作的化合物，这些化合物亦可作为计算机模拟碎裂分析的候选对象。