Abstract
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.
Highlights
Since the discovery of soft ionization techniques at the end of the 1980s, mass spectrometry (MS) has become an important tool in biological research [1]
The application BIOSPEAN is able to calculate a number of similarity values for a single analyzed spectrum resulting from its comparisons with all spectra in a user-made database
The BIOSPEAN can be regarded as a novel solution for IC/IS MS and to our knowledge there is no comparable equivalent available in the form of a web application
Summary
Since the discovery of soft ionization techniques at the end of the 1980s, mass spectrometry (MS) has become an important tool in biological research [1]. The instruments are provided by their vendors with a licensed software, which is utilized by users for the acquisition (including instrument calibration) and saving of mass spectra, processing of the acquired spectra (smoothing, baseline correction, peak picking, peaklist building etc.), spectra comparison and searches against spectral or sequence databases. The identification is done by comparison of the respective sample spectrum with a library of reference spectra.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
