Cross-correlation algorithm for calculation of peptide molecular weight from tandem mass spectra.

摘要: We have developed an approach to identify the molecular weight of a peptide ion directly from its corresponding tandem mass spectrum using cross-correlation function. shown that monoisotopic can be calculated for ∼90% spectra identified tryptic digests complex protein mixtures. The accuracy masses was dependent on resolution and analyzed, but typically <0.25 amu linear trap spectra. ability calculate accurate weights low-resolution data should significantly improve both speed performance database searches which typical accuracies ∼3 are employed. In addition, this strategy also used precursor acquired large selection windows in data-independent collision-activated dissociation has potential multiplexed