Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

@article{Allen2014CompetitiveFM,
  title={Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification},
  author={Felicity Allen and Russ Greiner and D. Wishart},
  journal={Metabolomics},
  year={2014},
  volume={11},
  pages={98-110}
}
Electrospray tandem mass spectrometry (ESI-MS/MS) is commonly used in high throughput metabolomics. One of the key obstacles to the effective use of this technology is the difficulty in interpreting measured spectra to accurately and efficiently identify metabolites. Traditional methods for automated metabolite identification compare the target MS or MS/MS spectrum to the spectra in a reference database, ranking candidates based on the closeness of the match. However the limited coverage of… CONTINUE READING
Related Discussions
This paper has been referenced on Twitter 5 times. VIEW TWEETS

Citations

Publications citing this paper.
Showing 1-10 of 48 extracted citations

Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

Proceedings of the National Academy of Sciences of the United States of America • 2015
View 4 Excerpts
Highly Influenced

References

Publications referenced by this paper.
Showing 1-10 of 49 references

MassBank: a public repository for sharing mass spectral data for life sciences.

Journal of mass spectrometry : JMS • 2010
View 9 Excerpts
Highly Influenced

FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data.

Rapid communications in mass spectrometry : RCM • 2008
View 6 Excerpts
Highly Influenced

From genomics to chemical genomics: new developments in KEGG

Nucleic Acids Research • 2006
View 1 Excerpt
Highly Influenced

Similar Papers

Loading similar papers…