Mass spectrometry software for biochemical analysis in electrospray and fast atom bombardment modes

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Abstract
New mass spectrometry techniques, such as electrospray ionization (ESI), allow the study of large biomolecules and peptide mixtures. The data produced are complex and interpretation can be a long and tedious process. A new suite of data-processing software is described which allows many of these operations to be carried out in a rapid, automated way. Software is described for the deconvolution of the spectra of multiply charged ions, for both pure compounds and mixtures. The rapid peptide mapping of protein digests from h.p.l.c.-m.s. data and peptide sequence confirmation from multiple-stage (MS)-m.s. data using tandem quadrupole m.s. are also described. In addition preliminary results are presented on first principle sequencing of unknown peptides from MS-m.s. experiments.

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