SOURCE IDENTIFICATION FOR UNKNOWN MOLECULES USING MASS SPECTRAL MATCHING

    公开(公告)号:WO2019079492A1

    公开(公告)日:2019-04-25

    申请号:PCT/US2018/056341

    申请日:2018-10-17

    摘要: Source identification for unknown molecules using mass spectral matching. In an embodiment, a representation of a query mass spectrum is received in a spectrum query. A repository is searched for the query mass spectrum by, for each of a plurality of reference mass spectra, generating a similarity score between the representation of the query mass spectrum and the representation of the reference mass spectrum, when the similarity score exceeds a predetermined threshold value, without utilizing a molecular identity of a molecule represented by the reference mass spectrum, retrieving metadata associated with the reference mass spectrum, and derive context information from the retrieved metadata, and adding the context information to consensus metadata associated with the query mass spectrum, wherein the context information indicates a source of the reference mass spectrum. The consensus metadata is then returned in response to the spectrum query.