Fragmentation libraries are fully searchable by various criteria. Search criteria can be combined to narrow your search. All searchable items can be found in the Fragmentation Library window in the Search tab. To conduct a search, simply type the desired query in relevant search box or select one of the predefined options and click on the Search button. The search results will be listed in the grid box in the lower part of the window.

(Sub)Structure search allows you to select all the reactions in a library that match all the reaction precursor or product structures with your query (sub)structure. The search results display the query substructure in red in the library structure, in the same manner as for the Substructure Search procedure in Database Manager.

Since fragmentation libraries largely contain ionic structures that can undergo resonance reactions, Mass Frontier offers a unique resonance substructure search. This feature ensures the correct retrieval of all resonance structures, even if the query structure is in a different resonance form than the library structure. This feature works fully automatically, so the user need not worry about the particular resonance state of the ionic structures. However, be aware of this functionality when reviewing search results, as the query and library structures in positive search results may appear to be different if the resonance reaction are possible. In this case, do not consider this difference as an error, but rather be aware that there may be complex resonance variations.

It is possible to ignore charges and radicals in (sub)structure searches if their location is ambiguous. When searching structures with an unspecified charge location or substituents, be sure to review the search rules that apply.

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