pNovo+: de novo peptide sequencing using complementary HCD and ETD tandem mass spectra.
作者： Hao Chi , Haifeng Chen , Kun He , Long Wu , Bing Yang
DOI: 10.1021/PR3006843
关键词: Electron-transfer dissociation 、 Analytical chemistry 、 Tandem mass spectrometry 、 Peptide 、 Personal computer 、 Database search engine 、 De novo peptide sequencing 、 Tandem mass spectrum 、 Chemistry 、 Fragmentation (mass spectrometry)
摘要: De novo peptide sequencing is the only tool for extracting sequences directly from tandem mass spectrometry (MS) data without any protein database. However, neither accuracy nor efficiency of de has been satisfactory, mainly due to incomplete fragmentation information in experimental spectra. Recent advancement MS technology enabled acquisition higher energy collisional dissociation (HCD) and electron transfer (ETD) spectra same precursor. These contain complementary can be collected with high resolution accuracy. Taking these advantages, we have developed a new algorithm called pNovo+, which greatly improves speed sequencing. On tryptic peptides, 86% topmost candidate deduced by pNovo+ HCD + ETD spectral pairs matched database search results, success rate reached 95% if top three candidates were included, was much than using (87%) or (57%). Asp-N, Glu-C, Elastase digested 69−87% correctly identified among candidates, 84−95% three. average, it takes 0.018 s extract sequence spectrum pair on common personal computer. This more times as fast other programs. The increase pDAG, component pNovo+. pDAG finds k longest paths directed acyclic graph antisymmetry restriction. We verified that restriction unnecessary resolution, data. extensive use make an excellent tool.
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