For each potential molecular mass, a hybrid search is executed with DeltaMass values approximated using the potential molecular mass of the analyte. Entries in the hitlist with hybrid match factors greater than a minimum expected match factor (𝑚𝐸𝑀𝐹) and with non-zero DeltaMass are designated potential cognates, and hits with match factors greater than a 𝑚𝐸𝑀𝐹 with DeltaMass of zero are designated potential isomers. If a hitlist contains at least one potential isomer or cognate, a score elevation, denoted Ω, is computed from the returned hybrid search hitlist The assumed molecular mass resulting in a hitlist with the largest score elevation is the predicted molecular mass of the analyte, 𝑚 " -. The normalized difference between the first and second largest score elevation, denoted Ω & and Ω ' , respectively, is used to compute a classification score, 𝐼 * + % , for the proposed molecular mass