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Method for predicting peptide detection in mass spectrometry

United States Patent

July 13, 2010
View the Complete Patent at the US Patent & Trademark Office
Pacific Northwest National Laboratory - Visit the Technology Commercialization Program Website
A method of predicting whether a peptide present in a biological sample will be detected by analysis with a mass spectrometer. The method uses at least one mass spectrometer to perform repeated analysis of a sample containing peptides from proteins with known amino acids. The method then generates a data set of peptides identified as contained within the sample by the repeated analysis. The method then calculates the probability that a specific peptide in the data set was detected in the repeated analysis. The method then creates a plurality of vectors, where each vector has a plurality of dimensions, and each dimension represents a property of one or more of the amino acids present in each peptide and adjacent peptides in the data set. Using these vectors, the method then generates an algorithm from the plurality of vectors and the calculated probabilities that specific peptides in the data set were detected in the repeated analysis. The algorithm is thus capable of calculating the probability that a hypothetical peptide represented as a vector will be detected by a mass spectrometry based proteomic platform, given that the peptide is present in a sample introduced into a mass spectrometer.
Kangas; Lars (West Richland, WA), Smith; Richard D. (Richland, WA), Petritis; Konstantinos (Richland, WA)
Battelle Memorial Institute (Richland, WA)
11/ 394,839
March 31, 2006
The invention was made with Government support under Contract DE-AC0676RLO 1830, awarded by the U.S. Department of Energy. The Government has certain rights in the invention.