Theoretical Mass Spectrum Viewer

MassSpec aims to help in the process of identifying chemical compounds. It allows a theoretical mass spectrum, generated for a given chemical formula, to be compared against experimental data from a mass spectrometer. By comparing against known spectra, the user can identify the composition of the experimental sample.

A plug-in system is used to allow experimental data to be loaded in a variety of formats. Once loaded up to two spectra can be compared by overlaying one onto the other. Additionally theoretical spectra can be generated for a given chemical formula.

Requirements

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