Using power spectrum analysis to evaluate (18)O-water labeling data acquired from low resolution mass spectrometers

J Proteome Res. 2010 Aug 6;9(8):4306-12. doi: 10.1021/pr100642q.

Abstract

We describe a method for ratio estimations in (18)O-water labeling experiments acquired from low resolution isotopically resolved data. The method is implemented in a software package specifically designed for use in experiments making use of zoom-scan mode data acquisition. Zoom-scan mode data allow commonly used ion trap mass spectrometers to attain isotopic resolution, which makes them amenable to use in labeling schemes such as (18)O-water labeling, but algorithms and software developed for high resolution instruments may not be appropriate for the lower resolution data acquired in zoom-scan mode. The use of power spectrum analysis is proposed as a general approach that may be uniquely suited to these data types. The software implementation uses a power spectrum to remove high-frequency noise and band-filter contributions from coeluting species of differing charge states. From the elemental composition of a peptide sequence, we generate theoretical isotope envelopes of heavy-light peptide pairs in five different ratios; these theoretical envelopes are correlated with the filtered experimental zoom scans. To automate peptide quantification in high-throughput experiments, we have implemented our approach in a computer program, MassXplorer. We demonstrate the application of MassXplorer to two model mixtures of known proteins and to a complex mixture of mouse kidney cortical extract. Comparison with another algorithm for ratio estimations demonstrates the increased precision and automation of MassXplorer.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms*
  • Animals
  • Cattle
  • Chromatography, Liquid
  • Computational Biology / methods
  • Cytochromes c / analysis
  • Horses
  • Isotope Labeling / methods*
  • Kidney Cortex / chemistry
  • Mice
  • Oxygen Isotopes / analysis
  • Proteins / analysis*
  • Proteins / metabolism
  • Proteomics / methods*
  • Serum Albumin, Bovine / analysis
  • Software*
  • Spectrum Analysis / methods*
  • Tandem Mass Spectrometry / methods*

Substances

  • Oxygen Isotopes
  • Proteins
  • Serum Albumin, Bovine
  • Cytochromes c