A kind of peptide section de novo sequencing method and system based on HCD and ETD mass spectrogram
CN103852513B · Institute of Computing Technology · priority 2012
| Patent | CN103852513B ↗ |
| Status | Active |
| Priority date | 2012-11-29 |
| Filed | 2012-11-29 |
| Published (granted) | 2016-01-06 |
| Assignee | Institute of Computing Technology (printed Institute of Computing Technology; National Institute of Biological Sciences, Beijing) |
| Claims | pNovo+ |
| Also published as | CN103852513A |
Abstract
Translated from Chinese 本发明提供一种基于HCD与ETD质谱图的肽段从头测序方法及系统，该方法包括：步骤1，将HCD与ETD的质谱图对应起来形成一个新质谱图，对所述新质谱图进行预处理，检测出有效谱峰并删除干扰谱峰；步骤2，根据所述有效谱峰构建有向无环图；步骤3，在所述有向无环图中寻找符合权重规则的路径，并根据所述路径生成候选肽段；步骤4，将所述候选肽段与所述新质谱图进行匹配打分，按照打分结果将所述候选肽段进行排序并输出。本发明弥补了单种碎裂类型引起的谱峰不全的缺点，结合HCD与ETD谱图各自的优点，提高从头测序的准确度。同时在从头测序之前进行预处理，去除大量同位素谱峰与噪音谱峰，避免其对从头测序算法造成干扰。并利用更加有区分度的打分算法，提高了从头测序的性能。 The present invention provides a peptide de novo sequencing method and system based on HCD and ETD mass spectrograms. The method includes: step 1, corresponding HCD and ETD mass spectrograms to form a new mass spectrogram, and pre-processing the new mass spectrogram. Processing, detecting effective spectral peaks and deleting interference spectral peaks; step 2, constructing a directed acyclic graph according to the effective spectral peaks; step 3, searching for a path that meets the weight rule in the directed acyclic graph, and according to The path generates candidate peptides; step 4, matching and scoring the candidate peptides with the new mass spectrum, sorting and outputting the candidate peptides according to the scoring results. The invention makes up for the shortcoming of incomplete spectral peaks caused by a single fragmentation type, combines the respective advantages of HCD and ETD spectral diagrams, and improves the accuracy of de novo sequencing. At the same time, preprocessing is performed before de novo sequencing to remove a large number of isotopic peaks and noise peaks to avoid interference with the de novo sequencing algorithm. And use a more discriminative scoring algorithm to improve the performance of de novo sequencing.
Why it is here
Institute of Computing Technology: de novo sequencing from merged HCD and ETD spectra over a directed acyclic graph; the inventors are pNovo+’s authors.
Inventors (5)
Hao Chi, Haifeng Chen, Rui-Xiang Sun, Meng-Qiu Dong, Si-Min He
An inventor links to an author page only where the same person is evident, never on a name alone.
Catalogued patents it cites (1)
- US7371514B2 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry
Cited by catalogued patents (2)
- CN116248680B A de novo peptide sequencing method, device and related equipment
- CN116825198B Peptide sequence tag identification method based on graph annotation mechanism
Cited by (10 patent families, 6 organisations)
- Hunan University of Technology and Business academic: CN116486907B, CN116248680B, CN116825198B
- Institute of Computing Technology academic, its own earlier patent: CN104134015B, CN104182658B, CN106198706B
- Beihang University academic: CN115862742B
- 上海大学 academic: CN104951668A
- 中国科学院大连化学物理研究所 academic: CN106872554B
- 众安信息技术服务有限公司 company: CN109544344B
Every family, of any applicant, that cites this one, as Google Patents lists them; an assignee is given its English name.