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.