MassLib® – Software for Chromatography and Mass Spectrometry Analyses

MassLib® is a powerful software for elucidation, confirmation and archival of mass spectra. It provides searches for spectra, structures and data, for the analysis of chromatography/mass spectrometry analyses.

This library-oriented mass spec application combines a variety of powerful searches for spectra, structures and data. Its convenient and efficient user-interface makes MassLib® an ideal tool for the analysis of chromatography/ mass spectrometry data.

MassLib®’s unique search algorithm SISCOM makes more relevant spectra useful and available from large spectra libraries such as from the Wiley Registry, the National Institute of Standards and Technology (NIST) or company libraries. It is particularly useful for the structure elucidation of unknown compounds with no library reference.

The combination of nominal and accurate mass features enhance MassLib® to an advanced tool for Gas chromatography-mass spectrometry (GC/MS), liquid chromatography/mass spectrometry (LC/MS) and mass spectrometry/mass spectrometry (MS/MS) search and structure confirmation.

MassLib® is a front-end software for spectrum servers. Spectra registered into a MassLib® library may get automatically registered into a company database.

As MassLib® is designed by its users, their contributions drive the further development and product lifecycle. MassLib® is continuously expanded to serve mass spectroscopists needs. Originally developed at the Max-Planck-Institut für Kohlenforschung in Muelheim/Ruhr, Germany, MassLib® is now fully owned and developed by MSP Kofel.

Key features of MassLib® include:

• Direct import filters for all the common mass spectrometers
• Mass spectral searches for identity, structure similarity, neutral loss
• Structure search (identical, similar substructures)
• Data search
• Commercial and user libraries
• Structure editor
• Reverse search for finding a spectrum in an analysis
• Elemental composition analysis of accurate mass and isotopic patterns
• Full support for retention index and calibration
• Contour plot
• Analysis comparison
• Analysis annotation
• Reporting tools
• Automated analysis evaluation
• Data import and export tools
• Spectra arithmetics
• Quantitation