SALSA: A Pattern Recognition Algorithm To Detect Electrophile-Adducted Peptides by Automated Evaluation of CID Spectra in LC−MS−MS Analyses
| Autor: | Daniel E. Mason, Juliet A. Jones, Beau T. Hansen, Daniel C. Liebler |
|---|---|
| Rok vydání: | 2001 |
| Předmět: |
Iodoacetic acid
Peptide Mass Spectrometry Pattern Recognition Automated Analytical Chemistry Adduct chemistry.chemical_compound computer.programming_language chemistry.chemical_classification Chromatography Tandem business.industry Proteins Pattern recognition Benzoquinone chemistry Pattern recognition (psychology) Electrophile Artificial intelligence Peptides business Algorithm computer Algorithms SALSA Chromatography Liquid |
| Zdroj: | Analytical Chemistry. 73:1676-1683 |
| ISSN: | 1520-6882 0003-2700 |
| DOI: | 10.1021/ac001172h |
| Popis: | A pattern recognition algorithm called SALSA (scoring algorithm for spectral analysis) has been developed to rapidly screen large numbers of peptide MS-MS spectra for fragmentation characteristics indicative of specific peptide modifications. The algorithm facilitates sensitive and specific detection of modified peptides at low abundance in an enzymatic protein digest. SALSA can simultaneously score multiple user-specified search criteria, including product ions, neutral losses, charged losses, and ion pairs that are diagnostic of specific peptide modifications. Application of SALSA to the detection of peptide adducts of the electrophiles dehydromonocrotaline, benzoquinone, and iodoacetic acid permitted their detection in a complex tryptic peptide digest mixture. SALSA provides superior detection of adducted peptides compared to conventional tandem MS precursor ion or neutral loss scans. |
| Databáze: | OpenAIRE |
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