Interpreting Multiplexed Tandem Mass Spectra Using Local Spectral Libraries

摘要

A method of acquiring and interpreting data using (i) a mass spectrometer system operated according to a set of operating conditions and (ii) a mass spectral library having a plurality of library entries derived from data previously obtained using said mass spectrometer system operated according to said set of operating conditions comprising: (a) generating, using the mass spectrometer system, a multiplexed mass spectrum comprising a superposition of a plurality of product-ion mass spectra comprising a plurality of product-ion types, each product-ion mass spectrum corresponding to fragmentation of a respective precursor-ion type formed by ionization of the plurality of chemical compounds, each precursor-ion type having a respective precursor-ion mass-to-charge (m/z) ratio and each product ion type having a respective product-ion m/z ratio; and (b) decomposing the multiplexed product-ion mass spectrum, using the mass-spectral library, so as to calculate relative abundances of previously-observed product-ion mass spectra within the multiplexed product-ion mass spectrum.