The review describes chemical space, i.e. the set of known and possible compounds, and presents the use of corresponding chemical data in non-target analysis. Its implementation is briefly considered. General and dedicated chemical databases are outlined. Citation and co-citation of chemical compounds in databases are considered. The data transfer from high resolution mass spectrometry to chemical databases is noted to be the key stage of modern non-target analysis. Searched structures are further filtered with the use of reference and computational data. Related issues are also addressed.

中文翻译：

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非目标分析的化学空间

该综述描述了化学空间，即一组已知和可能的化合物，并介绍了在非目标分析中相应化学数据的使用。简要考虑其实现。概述了常规和专用化学数据库。考虑数据库中化合物的引用和共同引用。从高分辨率质谱到化学数据库的数据传输被认为是现代非目标分析的关键阶段。使用参考和计算数据进一步过滤搜索到的结构。相关问题也得到解决。