Methods and Apparatus for Identifying Ion Species Formed during Gas-Phase Reactions
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United States of America Patent
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Issued Date -
Jun 26, 2014
app pub date -
Dec 20, 2012
filing date -
Dec 20, 2012
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Abandoned
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Abstract
A method for matching each of a plurality of progenitor ion types to respective product or fragment ion types, comprising: generating the plurality of progenitor ion types over a time range by ionizing compounds eluting during the time range using an atmospheric pressure ion source; generating the product or fragment ion types within a pressure range of 750 mTorr to atmospheric pressure in an ionization chamber or first vacuum chamber; detecting abundances of the plurality of progenitor ion types and the product or fragment ion types using a mass analyzer; calculating a plurality of extracted ion chromatograms (XICs) relating to the detected abundances; automatically detecting and characterizing chromatogram peaks within each XIC; automatically generating synthetic analytical fit peaks; performing cross-correlation score calculations between each pair of synthetic analytical fit peaks; and recognizing matches based on the cross correlation scores.
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