Methods for recalibration of mass spectrometry data

Tolmachev, Aleksey V; Smith, Richard D

Title: Methods for recalibration of mass spectrometry data

Abstract

Disclosed are methods for recalibrating mass spectrometry data that provide improvement in both mass accuracy and precision by adjusting for experimental variance in parameters that have a substantial impact on mass measurement accuracy. Optimal coefficients are determined using correlated pairs of mass values compiled by matching sets of measured and putative mass values that minimize overall effective mass error and mass error spread. Coefficients are subsequently used to correct mass values for peaks detected in the measured dataset, providing recalibration thereof. Sub-ppm mass measurement accuracy has been demonstrated on a complex fungal proteome after recalibration, providing improved confidence for peptide identifications.

Inventors:

Tolmachev, Aleksey V ^[1]; Smith, Richard D ^[1]

Richland, WA

Issue Date:: 2009-03-03

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 962741

Patent Number(s):: 7499807

Application Number:: 11/524,028

Assignee:: Battelle Memorial Institute (Richland, WA)

Patent Classifications (CPCs):: H - ELECTRICITY H01 - BASIC ELECTRIC ELEMENTS H01J - ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS

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H - ELECTRICITY H01 - BASIC ELECTRIC ELEMENTS H01J - ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
H01J49/0009 - {Calibration of the apparatus}

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DOE Contract Number:: AC05-76RL01830

Resource Type:: Patent

Country of Publication:: United States

Language:: English

Subject:: 47 OTHER INSTRUMENTATION

Citation Formats


                    Tolmachev, Aleksey V, and Smith, Richard D. Methods for recalibration of mass spectrometry data.  United States: N. p., 2009. 
        Web.

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                    Tolmachev, Aleksey V, & Smith, Richard D. Methods for recalibration of mass spectrometry data.  United States.

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                    Tolmachev, Aleksey V, and Smith, Richard D. Tue .  
        "Methods for recalibration of mass spectrometry data".  United States.  https://www.osti.gov/servlets/purl/962741.

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@article{osti_962741,

  title        = {Methods for recalibration of mass spectrometry data},

  author       = {Tolmachev, Aleksey V and Smith, Richard D},

  abstractNote = {Disclosed are methods for recalibrating mass spectrometry data that provide improvement in both mass accuracy and precision by adjusting for experimental variance in parameters that have a substantial impact on mass measurement accuracy. Optimal coefficients are determined using correlated pairs of mass values compiled by matching sets of measured and putative mass values that minimize overall effective mass error and mass error spread. Coefficients are subsequently used to correct mass values for peaks detected in the measured dataset, providing recalibration thereof. Sub-ppm mass measurement accuracy has been demonstrated on a complex fungal proteome after recalibration, providing improved confidence for peptide identifications.},

  doi          = {},

  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {2009},

  month        = {3}

}

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Works referenced in this record:

Multicomponent Internal Recalibration of an LC−FTICR-MS Analysis Employing a Partially Characterized Complex Peptide Mixture: Systematic and Random Errors
journal, November 2005

Yanofsky, Corey M.; Bell, Alexander W.; Lesimple, Souad
Analytical Chemistry, Vol. 77, Issue 22
https://doi.org/10.1021/ac050640q

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Title: Methods for recalibration of mass spectrometry data

Abstract

Citation Formats

Multicomponent Internal Recalibration of an LC−FTICR-MS Analysis Employing a Partially Characterized Complex Peptide Mixture: Systematic and Random Errors journal, November 2005

Multicomponent Internal Recalibration of an LC−FTICR-MS Analysis Employing a Partially Characterized Complex Peptide Mixture: Systematic and Random Errors
journal, November 2005