Журнал протеомики и биоинформатики
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BIOSPEAN: A Freeware Tool for Processing Spectra from MALDI Intact Cell/Spore Mass Spectrometry

Martin Raus and Marek Šebela

Here we introduce the software BIOSPEAN, which is applicable for processing of peptide/protein profiles obtained from MALDI intact cell/spore mass spectrometry. It has been developed as a web application using common technology. The BIOSPEAN automatically finds peaks in a mass spectrum. The peak detection principle involves a local scanning of intensity values around individual m/z positions. To cope with the level of noise, a threshold signalto- noise ratio is adjusted for filtering relevant results. Based on the detected peak pattern, a similarity search in a custom spectral database can subsequently be performed for sample identification. When a spectrum is analyzed by comparison with a database entry, a percentage score value is calculated from the number of identical peak positions found (they are assigned with an adjustable mass tolerance) divided by the number of all detected peaks in the analyzed spectrum. Each two spectra may also be compared in the opposite way and both score values averaged. The database search results are finally sorted in a table.