Automatic Reconstruction of MS-2 Spectra from all Ions Fragmentation to Recognize Previously Detected Compounds
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United States of America Patent
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Issued Date -
May 22, 2014
app pub date -
Nov 20, 2012
filing date -
Nov 20, 2012
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Abstract
A method of acquiring and interpreting data using a mass spectrometer system and a local mass spectral library comprises: (a) generating a multiplexed mass spectrum, the 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; (b) recognizing a respective set of two or more product-ion types corresponding to each of one or more of the product-ion mass spectra by recognizing correlations between the elution profiles of said two or more product-ion types corresponding to each said respective set; and (c) determining if each recognized set of two or more product-ion types corresponds to a product-ion mass spectrum previously observed using said mass spectrometer system by comparing the m/z ratios of the product ion types to information in at least one entry of the local mass spectral library.
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