Technology

Select an Option

Technology Detail

Technology Description	A collection of algorithms referred to as liquid chromatography-based mass spectrometric warping and alignment of retention times of peptides (LCMSWARP), which use a dynamic elution time warping approach similar to traditional algorithms that correct for variations in LC elution times using piecewise linear functions.
Category	Software
PRC	Pacific Northwest National Laboratory
PubMed ID	17073405
Author	Navdeep Jaitly, Matthew E. Monroe, Vladislav A. Petyuk, Therese R. W. Clauss, Joshua N. Adkins, and Richard D. Smith
Publication Description	The authors describe new algorithms referred to collectively as liquid chromatography-based mass spectrometric warping and alignment of retention times of peptides (LCMSWARP), which use a dynamic elution time warping approach similar to traditional algorithms that correct for variations in LC elution times using piecewise linear functions. The authors also describe the alignment of LC-MS results and demonstrate their application to the alignment of analyses from different chromatographic systems.
Methodology	To effectively collate and use results from LC-MS and LC-MS/MS techniques, variations in mass and elution time measurements between related analyses need to be corrected using algorithms designed to align the various types of data: LC-MS/MS versus LC-MS/MS, LC-MS versus LC-MS/MS, and LC-MS versus LC-MS. The liquid chromatography-based mass spectrometric warping and alignment of retention times of peptides (LCMSWARP) algorithm uses a scoring method based on a statistical model to quantify the similarity between chromatographic subsections of the experiments and uses the scores to find a transformation function of mass and elution time to produce the best piecewise linear alignment between two experiments.

National Institute of Allergy and Infectious Disease