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US 5,635,713 AGranted
Method for eliminating noise and artifact the deconvolution of multiply charged mass spectra
OwnerMichael J. Labowskyinventor
Life of this patent
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Abstract
A method for analyzing chemical species and determining the molecular weight of a parent molecule. Multiply charged ions are produced from the parent molecule by adding adduct ions thereto. A mass analysis is conducted of the multiply charged ions to generate mass/charge data. The molecular weight is calculated by using a deconvolution procedure in which the adduct ion mass and the molecular weight of the parent molecule are both treated as unknowns. Alternatively, a modified deconvolution procedure in which the adduct ion mass is treated as a known value is used.
Claims51
A method for analyzing chemical species, comprising:
- producing multiply charged ions from a parent molecule by adding adduct ions to said parent molecule;
- generating mass/charge data from said multiply charged ions by conducting a mass analysis of said multiply charged ions;
- determining the molecular weight of said parent molecule by using said mass/charge data obtained from said mass analysis to generate solutions to a deconvolution equation, said deconvolution equation having at least two variables of unknown and non-constant value, one of said variables being said molecular weight of said parent molecule of said multiply charged ions and a second of said variables being the adduct ion mass, said adduct ion mass being the mass of an adduct ion, said series of solutions being the solutions to said deconvolution equation for a combination of predetermined possible values for said molecular weight of said parent molecule and for said adduct ion mass.
A method for analyzing chemical species, comprising:
- producing multiply charged ions from a parent molecule by adding adduct ions to said parent molecule;
- generating mass/charge data from said multiply charged ions by conducting a mass analysis of said multiply charged ions using a mass spectrometer;
- determining the molecular weight of said parent molecule by using said mass/charge data obtained in said mass analysis to generate a series of solutions to a deconvolution equation, said deconvolution equation being the equation:
- ##EQU20## where h (Mr/i+ma) is the value of a measured signal, said measured signal being mass/charge data measured in said mass analysis, i is the charge on the multiply charged ion producing said measured signal and ranges from a minimum value i.sub.min to a maximum value i.sub.max M.sub.r is the molecular weight of said parent molecule, m.sub.a is the addict ion mass, said adduct ion mass being the mass of an adduct ion, and H(m.sub.r, m.sub.a) is each calculated signal for each combination of possible values for said molecular weight of said parent molecule and said adduct ion mass in predetermined ranges of values for said molecular weight of said parent molecule and said adduct ion mass.
1 more element
A method comprising:
- producing multiply charged ions from a parent molecule by adding adduct ions to said parent molecule;
- generating mass/charge data from said multiply charged ions by conducting a mass analysis of said multiply charged ions;
- calculating the molecular weight of said parent molecule using said mass/charge data obtained from said mass analysis of said multiply charged ions by generating a series of solutions to a deconvolution equation, wherein said deconvolution equation comprises a function for noise reduction in the calculated signals of said deconvolution algorithm and provides a calculated spectrum without an iterative calculation.
A method for analyzing chemical species, comprising:
- producing multiply charged ions from a parent molecule by adding adduct ions to said parent molecule;
- generating mass/charge data from said multiply charged ions by conducting a mass analysis of said multiply charged ions using a mass spectrometer;
- determining the molecular weight of said multiply charged ion by using said mass/charge data obtained in said mass analysis to generate a series of solutions to a deconvolution equation, said deconvolution equation being the equation:
- ##EQU38## where h (Mr/i+ma) is the value of a measured signal, said measured signal being mass/charge data measured in said mass analysis, i is the charge on the multiply charged ion producing said measured signal and ranges from a minimum value i.sub.min to a maximum value i.sub.max, M.sub.r is the molecular weight of said parent molecule, m.sub.a is the constant mass of said adduct ions, and H(M.sub.r) is each calculated signal for each combination predetermined of possible values for said molecular weight of said parent molecule with said constant adduct ion mass and F is a predetermined filter function for modifying the contribution of particular measured signals to said solution, said particular measured signals being those of said measured signals which fall within predetermined parameters.
1 more element
Dependencies are inferred from the claim text.