Identification of related peptides for mass spectrometry processing

摘要

A method of identifying a related peak set from MS1 spectra data is provided. An intensity peak is selected from MS1 spectra data generated for a sample by a tandem mass spectrometer. A peak location is identified for the selected intensity peak. An intensity score is calculated from the MS1 spectra data for each of a plurality of possible related peak locations based on an intensity value associated with each of the plurality of possible related peak locations. Whether or not any of the plurality of possible related peak locations forms a related peak set is determined based on the calculated intensity score for each of the plurality of possible related peak locations.

主权项

1. A device comprising:
a processor; and a computer-readable medium operably coupled to the processor, the computer-readable medium having computer-readable instructions stored thereon that, when executed by the processor, cause the device to
select an intensity peak from MS1 spectra data generated for a sample by a tandem mass spectrometer;identify a peak location for the selected intensity peak;calculate an intensity score, from the MS1 spectra data, for each of a plurality of possible related peak locations based on an intensity value associated with each of the plurality of possible related peak locations;determine if any of the plurality of possible related peak locations forms a related peak set based on the calculated intensity score for each of the plurality of possible related peak locations, wherein the related peak set includes the identified peak location; andwhen a related peak set is formed, perform an MS2 scan for at least one peak location selected from the related peak set using the tandem mass spectrometer.