Mass Spectrum Labeling: Theory and Practice

  • Authors:
  • Z. Huang;L. Chen;J-Y. Cai;D. Gross;D. Musicant;R. Ramakrishnan;J. Schauer;S. J. Wright

  • Affiliations:
  • University of Wisconsin-Madison;University of Wisconsin-Madison;University of Wisconsin-Madison;Carleton College;Carleton College;University of Wisconsin-Madison;University of Wisconsin-Madison;University of Wisconsin-Madison

  • Venue:
  • ICDM '04 Proceedings of the Fourth IEEE International Conference on Data Mining
  • Year:
  • 2004

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Abstract

We introduce the problem of labeling a particle's mass spectrum with the substances it contains, and develop several formal representations of the problem, taking into account practical complications such as unknown compounds and noise. This task is currently a bottle-neck in analyzing data from a new generation of instruments for real-time environmental monitoring.