DYNAMIC LIBRARY SEARCHING

Systems and methods for mass spectrometry dynamic library searching are provided for use with mass spectrometer spectra. A composite spectrum is created from multiple spectra. The multiple spectra are collected at varying collision energies from a mass spectrometer. Dynamic searching algorithms are...

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Bibliographic Details
Main Authors MENG CHIN-KAI, ZAVITSANOS A. P, WYLIE PHILIP L
Format Patent
LanguageEnglish
Published 04.08.2005
Edition7
Subjects
INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES
MEASURING
PHYSICS
TESTING
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Summary:Systems and methods for mass spectrometry dynamic library searching are provided for use with mass spectrometer spectra. A composite spectrum is created from multiple spectra. The multiple spectra are collected at varying collision energies from a mass spectrometer. Dynamic searching algorithms are utilized for assigning a degree of importance to ions depending upon the identity of the ions, and for assigning a degree of importance to the ion ratios. A search is performed against a library of composite spectra that includes data for adduct, dimer, and oligomer ions. The systems and methods determine a match quality value that takes into account any or all ions in the spectrum along with the ions' ratios and degrees of importance.
Bibliography:Application Number: US20040768041