Algorithm note: A new protocol of analyzing isotope-coded affinity tag data from high-resolution LC-MS spectrometry

  • Authors:

  • Weichuan Yu;Junfeng Liu;Chris Colangelo;Erol Gulcicek;Hongyu Zhao

  • Affiliations:

  • Department of Electronic and Computer Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China;Department of Statistics, West Virginia University, Morgantown, WV 26506, USA;Keck Biotechnology Laboratory, Yale University, New Haven, CT 06520, USA;Keck Biotechnology Laboratory, Yale University, New Haven, CT 06520, USA;Departments of Epidemiology and Public Health and Genetics, Yale University, USA

  • Venue:
  • Computational Biology and Chemistry
  • Year:
  • 2007

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Abstract

Isotope-coded affinity tags (ICAT) is a labeling technique that provides insights into quantitative molecular changes. In this paper, we propose a new protocol to identify and analyze ICAT labeled peak pairs in high-resolution LC-MS data. Our major contributions are: (1) we use isotope distance constraint, ICAT distance constraint, and LC-span constraint to identify ICAT labeled peak pairs and (2) we propose to trigger tandem MS/MS scanning based on the ratio estimation value of identified ICAT peak pairs instead of the peak intensity values. Compared with current approaches that choose peaks with high intensity values for tandem MS/MS scanning, the new protocol can improve the scanning efficiency and accuracy.