Figure 4.
mslookup creates a database from MS spectra by encoding peaks, charge and precursor mass into a 32-D vector. Additionally, the tool creates a key-value database that contains the 32-D representation and the Universal Spectrum Identifier (USI). When a user queries a spectra file against the database using the mslookup search tool, the query spectra is encoded and compare against the vector database (faiss) and a list of USIs are returned with the corresponding similarity score.