Spec2Annot - Annotation of Mass Spectra

Provides a comprehensive suite of functions to efficiently annotate mass spectra data. Motivated by the need for rapid and accurate chemical identification in high-resolution mass spectrometry, it integrates built-in chemical databases and high-performance C++ algorithms. Users can perform mass-to-charge (m/Z) and retention time searches, determine elemental compositions of molecules using heuristic rules, including specific isotopes, and annotate MS2 spectra with structural metrics using configurable chemistry rules.