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Search Utilities

For retrieving spectra, trees, chromatograms and structures from libraries, several query and search features are available. Mass Frontier allows you to search every library simultaneously. The following search options are available:

    • Spectrum Search - searches for the library spectra most closely matching an unknown spectrum.

    • Tree Search - searches for the library spectral tree most closely matching an unknown spectral tree or subtree.
    • (Sub)Structure Search - searches for an exact match for the query structure (structure search) or searches for an exact match for the structure subset (substructure search).

    • Name Search - incremental name search.

    • Molecular Mass Search - searches for compounds with a given molecular mass.

    • Formula Search - searches for compounds with a given molecular formula.

    • ID Number Search - searches for library entries with a given ID number.

    • CAS Number Search - searches for compound(s) with a given Chemical Abstract Service registry number.

    • Retention Time Search - searches for library entries with a range of given retention times.

 

Every search dialog window contains a check box with the caption Merge results into Active Database Manager Window. If the check box is clicked the search results will be stored beyond the last record into the Spreadsheet in an active Database Manager window. If you uncheck this box a new Database Manager window will be opened and the search results will be put into it. If this check box is disabled there is no active Database Manager window and a new window will be opened.

To start a search, click the Search item in the main menu and choose the specific search you want to conduct. When the dialog windows appears, you can select the active library or libraries to be searched. If the search is successful the results (hit list) will be stored in the Spreadsheet in the Database Manager window.