MassBank: database of metabolite exact mass spectra

Abstract

MassBank is a database of high-resolution mass spectra of metabolites. It focuses on ESI-(MS)n spectra, aiming at the rationalization of relationship between structure of precursor metabolites and their spectra.
This approach is indispensable for metabolome analysis, where the identification of metabolites is the prime prerequisite; The relationship between precursors and their spectra help predict structures of unidentified peaks.
Currently, MassBank provides 12,727 spectra of over 1,000 metabolites, and search methods not only by molecular name or specific mass value but also by difference of mass peaks or measurement conditions.
In this lecture, we introduce such useful functions of MassBank. Please have a look at http://massbank.jp/.