This computational tool predicts the masses of fragment ions generated during tandem mass spectrometry (MS/MS) experiments. These fragments arise from the controlled breakdown of a peptide molecule within the mass spectrometer. For example, given the amino acid sequence Ala-Gly-Ser, the tool would calculate the theoretical masses of possible b- and y-ions resulting from cleavage at each peptide bond.
Such predictive capabilities are essential for identifying and characterizing peptides, particularly in proteomics research. By comparing the theoretically generated fragment ion masses with the experimentally observed masses from MS/MS spectra, researchers can confidently deduce the amino acid sequence of unknown peptides. The development and refinement of these tools have significantly accelerated protein identification workflows and enabled large-scale proteomic studies.
