Document Detail


Autophaser: an algorithm for automated generation of absorption mode spectra for FT-ICR MS.
MedLine Citation:
PMID:  23373960     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Phase correction of Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry data allows the spectra to be presented in absorption mode. Absorption mode spectra offer superior mass resolving power (up to a factor of 2), mass accuracy, and sensitivity over the conventional magnitude mode. Hitherto, the use of absorption mode in FT-ICR mass spectrometry has required either specially adapted instrumentation or a manually intensive process of phase correction or has ignored the potentially significant effects of image charge and the associated frequency shifts. Here we present an algorithm that allows spectra recorded on unadapted FT-ICR mass spectrometers to be phase corrected, their baseline deviations removed, and then an absorption mode spectrum presented in an automated manner that requires little user interaction.
Authors:
David P A Kilgour; Rebecca Wills; Yulin Qi; Peter B O'Connor
Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't     Date:  2013-03-26
Journal Detail:
Title:  Analytical chemistry     Volume:  85     ISSN:  1520-6882     ISO Abbreviation:  Anal. Chem.     Publication Date:  2013 Apr 
Date Detail:
Created Date:  2013-04-16     Completed Date:  2014-01-08     Revised Date:  2014-04-17    
Medline Journal Info:
Nlm Unique ID:  0370536     Medline TA:  Anal Chem     Country:  United States    
Other Details:
Languages:  eng     Pagination:  3903-11     Citation Subset:  IM    
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MeSH Terms
Descriptor/Qualifier:
Algorithms*
Cyclotrons
Molecular Weight
Sensitivity and Specificity
Spectroscopy, Fourier Transform Infrared / standards*,  statistics & numerical data
Grant Support
ID/Acronym/Agency:
P41 RR010888/RR/NCRR NIH HHS
Comments/Corrections

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