Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification
出版年份 2014 全文链接
标题
Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification
作者
关键词
Tandem mass spectrometry, MS/MS, Metabolite identification, Machine learning
出版物
Metabolomics
Volume 11, Issue 1, Pages 98-110
出版商
Springer Nature
发表日期
2014-06-05
DOI
10.1007/s11306-014-0676-4
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- A predictive science approach to aid understanding of electrospray ionisation tandem mass spectrometric fragmentation pathways of small molecules using density functional calculations
- (2013) Angelika Galezowska et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- Computational mass spectrometry for small-molecule fragmentation
- (2013) Franziska Hufsky et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Computational mass spectrometry for small molecules
- (2013) Kerstin Scheubert et al. Journal of Cheminformatics
- Metabolite identification and molecular fingerprint prediction through machine learning
- (2012) M. Heinonen et al. BIOINFORMATICS
- In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids
- (2012) Lars J. Kangas et al. BIOINFORMATICS
- An accelerated workflow for untargeted metabolomics using the METLIN database
- (2012) Ralf Tautenhahn et al. NATURE BIOTECHNOLOGY
- The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013
- (2012) Janna Hastings et al. NUCLEIC ACIDS RESEARCH
- HMDB 3.0—The Human Metabolome Database in 2013
- (2012) David S. Wishart et al. NUCLEIC ACIDS RESEARCH
- Advances in metabolite identification
- (2011) David S Wishart Bioanalysis
- In silico fragmentation for computer assisted identification of metabolite mass spectra
- (2010) Sebastian Wolf et al. BMC BIOINFORMATICS
- MassBank: a public repository for sharing mass spectral data for life sciences
- (2010) Hisayuki Horai et al. JOURNAL OF MASS SPECTROMETRY
- X-Rank: A Robust Algorithm for Small Molecule Identification Using Tandem Mass Spectrometry
- (2009) Roman Mylonas et al. ANALYTICAL CHEMISTRY
- Towards de novo identification of metabolites by analyzing tandem mass spectra
- (2008) S. Bocker et al. BIOINFORMATICS
- HMDB: a knowledgebase for the human metabolome
- (2008) D. S. Wishart et al. NUCLEIC ACIDS RESEARCH
- FiD: a software forab initiostructural identification of product ions from tandem mass spectrometric data
- (2008) Markus Heinonen et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now