Semi-automated data processing of hydrogen exchange mass spectra using HX-Express.
A Microsoft Excel utility, HX-Express, that significantly accelerates the analysis of hydrogen exchange mass spectrometry data is described. HX-Express generates deuterium uptake and peak width plots from peaks in mass spectral data. Data analysis is intentionally semi-automated, requiring that the user find the peaks to be analyzed. The peaks are entered in the form of x, y lists of m/z versus intensity or can be directly imported from Waters MassLynx software. Analysis of data with HX-Express provides the same results as manual data processing but is substantially faster. In addition to speed, HX-Express provides and preserves visual and numeric displays of the analysis process for quality control.
Weis
David D
DD
Department of Chemistry, University of New Mexico, Albuquerque, New Mexico, USA.
Engen
John R
JR
Kass
Ignatius J
IJ
D000465:Algorithms; D003198:Computer Simulation; D041961:Deuterium Exchange Measurement / Q000379:methods*; D006859:Hydrogen / Q000032:analysis / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D012984:Software; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D014584:User-Computer Interface
D006859:Hydrogen