De novo prediction of the elemental composition of peptides and proteins based on a single mass

Claesen Jurgen; Valkenborg Dirk; Burzykowski Tomasz

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De novo prediction of the elemental composition of peptides and proteins based on a single mass

机译：基于单块质量的肽和蛋白质元素组成的DE Novo预测

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摘要

Identification of peptides and proteins is a common task in mass spectrometry-based proteomics but often fails to deliver a comprehensive list of identifications. Downstream analysis, quantitative or qualitative, depends on the outcome of this process. Despite continuous improvement of computational methods, a large fraction of the screened peptides and/or proteins remains unidentified. We introduce here pacMASS, a method that de novo predicts the elemental composition of peptides and small proteins based on a single accurate mass, ie, the observed monoisotopic or average mass. This novel approach returns in a fast and memory efficient manner a limited number of elemental compositions per queried peptide or protein.

机译：肽和蛋白质的鉴定是基于质谱的蛋白质组学的常见任务，但通常不能提供全面的识别清单。下游分析，定量或定性取决于该过程的结果。尽管持续改善了计算方法，但大部分筛选的肽和/或蛋白质仍未识别。我们在此介绍Pacmass，该方法是De Novo基于单一精确的质量来预测肽和小蛋白质的元素组成，即观察到的单同步体或平均质量。该新颖方法以快速和记忆有效的方式返回每种肽或蛋白质的有限数量的元素组合物。

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来源
《Journal of mass spectrometry: JMS》 |2020年第8期|共10页
作者
Claesen Jurgen; Valkenborg Dirk; Burzykowski Tomasz;
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作者单位

Hasselt Univ I BioStat Hasselt Belgium;

Hasselt Univ I BioStat Hasselt Belgium;

Hasselt Univ I BioStat Hasselt Belgium;

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原文格式 PDF
正文语种 eng
中图分类分析化学;
关键词
bioinformatics; identification; mass spectrometry; MS1; proteomics;

机译：生物信息学;识别;质谱;MS1;蛋白质组学;

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1. De novo prediction of the elemental composition of peptides and proteins based on a single mass [J] . Claesen Jurgen, Valkenborg Dirk, Burzykowski Tomasz Journal of mass spectrometry: JMS . 2020,第8期

机译：基于单块质量的肽和蛋白质元素组成的DE Novo预测
2. De novo sequencing, peptide composition analysis, and composition-based sequencing: A new strategy employing accurate mass determination by Fourier transform ion cyclotron resonance mass spectrometry [J] . Spengler B Journal of the American Society for Mass Spectrometry . 2004,第5期

机译：从头测序，肽成分分析和基于成分的测序：采用傅立叶变换离子回旋共振质谱进行精确质量测定的新策略
3. Paired single residue-transposed Lys-N and Lys-C digestions for label-free identification of N-terminal and C-terminal MS/MS peptide product ions: ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry and tandem mass spectrometry for peptide de novo sequencing [J] . Brownstein Naomi C., Guan Xiaoyan, Mao Yuan, Rapid Communications in Mass Spectrometry: RCM . 2015,第7期

机译：成对的单残基转座的Lys-N和Lys-C消化可无标记地鉴定N末端和C末端MS / MS肽产物离子：超高分辨率傅里叶变换离子回旋共振质谱和串联质谱从头开始排序
4. Automated de novo sequencing of protein/peptides using capillary LC and ion trap mass spectrometry [C] . Hua LIN Beijing conference and exhibition on instrumental analysis;BCEIA . 2001

机译：使用毛细管液相色谱和离子阱质谱对蛋白质/多肽进行自动从头测序
5. De novo peptide sequencing of spider silk proteins by mass spectrometry and discovery of novel fibroin genes [D] . Hu, Xiaoyi 2004

机译：质谱从头对蜘蛛丝蛋白进行从头测序并发现新的丝蛋白基因
6. DeNovoID: a web-based tool for identifying peptides from sequence and mass tags deduced from de novo peptide sequencing by mass spectroscopy [O] . Brian D. Halligan, Victor Ruotti, Simon N. Twigger, 2005

机译：DeNovoID：一种基于网络的工具可通过质谱从从新肽测序推导的序列和质量标签中识别肽
7. De novo prediction of the elemental composition of peptides and proteins based on a single mass [O] . Jürgen Claesen, Dirk Valkenborg, Tomasz Burzykowski 2019

机译：基于单块质量的肽和蛋白质元素组成的DE Novo预测

De novo prediction of the elemental composition of peptides and proteins based on a single mass

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