HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries

@inproceedings{Zhou2014HAMMERAO,
  title={HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries},
  author={Jiarui Zhou and Ralf J. M. Weber and James William Allwood and Robert Mistrik and Zexuan Zhu and Zhen Ji and Siping Chen and Warwick B. Dunn and Shan He and Mark R. Viant},
  booktitle={Bioinformatics},
  year={2014}
}
SUMMARY Experimental MS(n) mass spectral libraries currently do not adequately cover chemical space. This limits the robust annotation of metabolites in metabolomics studies of complex biological samples. In silico fragmentation libraries would improve the identification of compounds from experimental multistage fragmentation data when experimental reference data are unavailable. Here, we present a freely available software package to automatically control Mass Frontier software to construct in… CONTINUE READING

Citations

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

References

Publications referenced by this paper.
Showing 1-10 of 11 references

small molecules using mass spectrometry

  • H. Singer, J. Hollender
  • Bioanal Rev,
  • 2010

Similar Papers

Loading similar papers…