Use of mass spectral difference networks for determining charge state, adduction, neutral loss and polymerization

A mass spectrometric analysis method comprises: (1) processing a mass spectrum to reduce the signals to monoisotopic values; (2) creating a list of differences between the monoisotopic values; (3) creating one or more lists of theoretical mass-to-charge differences among known adducts, charge states...

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Bibliographic Details
Main Authors MCCLURE THOMAS, ATHANAS MICHAEL J, KUMP MATTHEW
Format Patent
LanguageEnglish
Published 13.10.2015
Subjects
BASIC ELECTRIC ELEMENTS
ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
ELECTRICITY
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Summary:A mass spectrometric analysis method comprises: (1) processing a mass spectrum to reduce the signals to monoisotopic values; (2) creating a list of differences between the monoisotopic values; (3) creating one or more lists of theoretical mass-to-charge differences among known adducts, charge states and polymerization states whose formation may be expected from various analyte molecules; (4) comparing the theoretical differences (line or edge in the network) to the list of differences from the mass spectrum and, where applicable, make and tabulate tentative species assignments; and (5) assigning the mass spectral peaks to respective ion species in accordance with the redundancy of each assignment based on multiple independent calculated mass-to-charge differences pertaining to each peak.
Bibliography:Application Number: US201414302304