BUDDY: molecular formula discovery via bottom-up MS/MS interrogation

BUDDY is an open-source cheminformatic software platform developed for MS-based metabolomics research, capitalizing on bottom-up MS/MS interrogation and experiment-specific global peak annotation.

Bottom-up MS/MS interrogation aims to determine molecular formulae for all metabolic features with significance estimation. Experiment-specific global peak annotation is achieved to select the optimal molecular network considering both individual peak annotations and peak interrelationships.

Check out the GitHub here (https://github.com/Philipbear/BUDDY_Metabolomics).