Annotating Fragmentation Patterns

@inproceedings{Bcker2009AnnotatingFP,
  title={Annotating Fragmentation Patterns},
  author={Sebastian B{\"o}cker and Florian Rasche and Tamara Steijger},
  booktitle={WABI},
  year={2009}
}
Mass spectrometry is one of the key technologies in metabolomics for the identification and quantification of molecules in small concentrations. For identification, these molecules are fragmented by, e.g., tandem mass spectrometry, and masses and abundances of the resulting fragments are measured. Recently, methods for de novo interpretation of tandem mass spectra and the automated inference of fragmentation patterns have been developed. If the correct structural formula is known, then peaks in… CONTINUE READING

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