The MLibrary software tool is a database search engine developed to assist the user in the detection and identification of small compounds, such as anabolic androgenic steroids (AAS), using the soft ionisation technique Matrix Assisted Laser Desorption/Ionisation (MALDI) coupled with mass spectrometry. The MLibrary compares the results of the experimental data with theoretic values included in the database. It simplifies the interpretation of the mass spectrometry data and reduces the amount of time required to analyse the results manually.
The developed MLibrary software takes as input several mass spectra coming from the MALDI-MS(/MS) analyses and aids the researcher to (i) identify the possible presence of AAS in the sample, in single MS mode, by comparison with the AAS theoretic values included in the MS database and (ii) to confirm their identification, in the MS/MS mode, by comparison of the fragmentation pattern against a MS/MS database.
2017 Sistemas Informáticos de Nueva Generación