MSPal 1.0

MSPal is a program for the storage, maintenance and analysis of both low- and high resolution MS spectra. This embedded SQLite application has powerful search- and filter capabilities and offers a nifty routine to compare MS spectra of structurally related compounds, thereby facilitating both the structure elucidation, and profiling of groups of compounds as is demonstrated with the illegal drugs of the amphetamine- and opiate- series. MS spectra can be tailored and saved to editable bitmaps, suitable for publication in papers or on posters. Likewise, numerical data of spectra can be imported from www databases or exported to contribute to those sites. The database harbours tables of well known charged and neutral fragments, which are constantly consulted in the analysis of spectra. MSPal also features utilities like a fragment finder, exact masses calculator and a possible metastable ion predictor.

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