Metabolomics is analytical technologies to quantitatively detect as many as small molecules (metabolites) in organisms. Komics (Kazusa Metabolomics Database) is a web portal to the databases, tools and other information that were developed and produced through the metabolomics studies of the Shibata's Laboratory in Kazusa DNA Research Institute.
Most of the products were developed in the research project named "Development of Fundamental Technologies for Controlling the Material Production Process of Plants" (PMPj) supported by New Energy and Industrial Technlogy Development Organization (NEDO, Japan).
FlavonoidSearch—a system for high-accuracy prediction of flavonoid aglycones using MS/MS spectra— is released.
MassChroViewer tool is released. This is a 2-Dimensional data viewer for quality checking of LC-MS data. Retention time, m/z, and intensity of the ions in raw data (mzXML format) are visualized as x-axis, y-axis and strength of color. Zooming in/out and moving of the view area can be changed as Google-Map like mouse operations. The functions for overlay the extracted peaks, checking mass differences, MS/MS data browsing, compound database searching, browsing chemical structure of candidate compounds, and mass calculation of selected substructure can be used to check the quality of raw data and processed data.
A new search tool UC2 (Unique Connectivity of UnCharged compound database) is released at MFSearcher database. A java based GUI tool is also available. UC2 database can search both neutral and charged compounds in a single query, and compounds with the same connectivity of atoms are compiled in a single result.