Contributor
Kanako Hirata

Implementing MS-FINDER Functions to MS-DIAL


Mentors
Yuki Matsuzawa, Hiroshi Tsugawa, Kozo Nishida
Organization
MZmine and MS-DIAL
Technologies
c#
Topics
mass spectrometry, in silico fragmentation
MS-DIAL is a data analysis tool for metabolomics and lipidomics that supports data processing from import of mass spectrometry raw data to statistical analysis and peak identification by means of MS/MS spectral matching. MS-FINDER, a partner program of MS-DIAL, can predict molecular formulas, metabolite classes and structures for unknown spectra using in silico fragmentation. The aim of this project is to implement these MS-FINDER functions in MS-DIAL and develop its GUI to run the functions and display prediction results. That will enable more comprehensive data analysis using MS-DIAL.