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Chromatographic Libraries

A unique feature of Mass Frontier is the ability to create searchable libraries of data reduced chromatographic data. Retention times and TIC profiles, as well as selected scans or detected component spectra or trees can be exported to user libraries and searched using various criteria. This feature allows you to search a particular spectrum in a series of GC/LC/MSn library records (target analysis), or you can perform cross matching of all scans or components in a chromatogram against spectral data of other chromatographic records (dereplication). Chromatograms are organized in a similar manner to spectral libraries, with the difference that a single library entry represents a data reduced chromatogram rather than a simple spectrum or tree. A data reduced chromatogram can contain up to 999 individual scans (spectra), or 999 detected components (spectra or trees).