An algorithm for interpretation of low‐energy collision‐induced dissociation product ion spectra for de novo sequencing of peptides
peer-reviewed · Rapid Communications in Mass Spectrometry · 2005
| Date | 2005-04-30 |
| Type | peer-reviewed |
| Venue | Rapid Communications in Mass Spectrometry |
| Publisher | Wiley |
| Contribution | algorithm |
| DOI | 10.1002/rcm.1892 |
| Citations (OpenAlex) | 9 |
| Venue 2-year citedness | 1.80 |
Abstract
An algorithm for interpretation of product ion spectra of peptides generated from ion trap mass spectrometry is developed for de novo amino acid sequencing of peptides for the purpose of protein identification. It is based on a multi-pass analysis of product ion data using a rigorous data extraction and sequence interpretation protocol in the initial pass. The extraction/interpretation algorithm becomes more relaxed in subsequent passes, considering more of the fragment ions, and potentially more sequence candidates. The possible peptide sequences generated by the algorithm are scored according to those sequences which best explain the fragment ion spectrum. These sequences are searched against a protein database using a BLAST search engine to find likely protein candidates. The method is also suitable for locating and determining protein modifications, and can be applied to de novo interpretation of peptide fragment ions in the tandem mass (MS/MS) spectrum produced from a mixture of two peptides having similar nominal mass, but different sequences. Using a known protein, bovine serum albumin, as an example, it is illustrated that this method is rapid and efficient for MS/MS spectral interpretation. This method combined with BLAST programs is then applied to search homologies and to generate information on post-translational modifications of an unknown protein isolated from shark cartilage that does not have a complete genome or proteome database.
Methods and tools
- Multi-pass CID spectrum interpretation: Interprets low-energy CID product ion spectra from an ion trap in several passes, extracting the data rigorously and then building the sequence, rather than scoring candidate paths in one sweep.
Cites (13)
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