Feature Based Retention Time Alignment for Improved HDX MS Analysis |
| |
| Authors: | John D. Venable William Scuba Ansgar Brock |
| |
| Affiliation: | 1. Genomics Institute of the Novartis Research Foundation, 10675 John Jay Hopkins Dr., San Diego, CA, 92121, USA
2. OREI, P.O. Box 1735,, Rancho Santa Fe, CA, 92067, USA
|
| |
| Abstract: | An algorithm for retention time alignment of mass shifted hydrogen-deuterium exchange (HDX) data based on an iterative distance minimization procedure is described. The algorithm performs pairwise comparisons in an iterative fashion between a list of features from a reference file and a file to be time aligned to calculate a retention time mapping function. Features are characterized by their charge, retention time and mass of the monoisotopic peak. The algorithm is able to align datasets with mass shifted features, which is a prerequisite for aligning hydrogen-deuterium exchange mass spectrometry datasets. Confidence assignments from the fully automated processing of a commercial HDX software package are shown to benefit significantly from retention time alignment prior to extraction of deuterium incorporation values.  | |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
