Method for ranking library hits in mass spectrometry

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United States of America Patent

PATENT NO 11994501
APP PUB NO 20210033577A1
SERIAL NO

16975526

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Abstract

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A method for ranking analytes includes the steps of analyzing an experimental analyte in a mass spectrometer. The method includes comparing the experimental analyte to a plurality of candidate analytes in a library hit list, and assigning a cumulative confidence score to each candidate analyte based on the steps of comparing the experimental analyte to the candidate analytes based on a library similarity score, comparing the experimental analyte to the candidate analytes based on of a presence of the most abundant isotope of a molecular ion and its mass, comparing the experimental analyte to the candidate analytes based on an abundance of fragment ions and a mass of the fragment ions, and, in some implementations, comparing the experimental analyte to the candidate analytes based on a retention index value. The method includes ranking the candidate analytes based on the cumulative confidence score of each candidate analyte.

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Patent Owner(s)

Patent OwnerAddress
LECO CORPORATION3000 LAKEVIEW AVENUE ST JOSEPH MI 49085

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Artaev, Viatcheslav St. Joseph, US 7 40
Fell, Lorne Stevensville, US 1 0
McNitt, Kevin Lee Saint Joseph, US 2 0
Richards, Todd Watervliet, US 7 137

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