September 13, 2013
Journal Article

LC-IMS-MS Feature Finder: Detecting Multidimensional Liquid Chromatography, Ion Mobility, and Mass Spectrometry Features in Complex Datasets

Abstract

We introduce a command line software application LC-IMS-MS Feature Finder that searches for molecular ion signatures in multidimensional liquid chromatography-ion mobility spectrometry-mass spectrometry (LC-IMS-MS) data by clustering deisotoped peaks with similar monoisotopic mass, charge state, LC elution time, and ion mobility drift time values. The software application includes an algorithm for detecting and quantifying co-eluting chemical species, including species that exist in multiple conformations that may have been separated in the IMS dimension.

Revised: August 8, 2014 | Published: September 13, 2013

Citation

Crowell K.L., G.W. Slysz, E.S. Baker, B.L. Lamarche, M.E. Monroe, Y.M. Ibrahim, and S.H. Payne, et al. 2013. LC-IMS-MS Feature Finder: Detecting Multidimensional Liquid Chromatography, Ion Mobility, and Mass Spectrometry Features in Complex Datasets. Bioinformatics 29, no. 21:2804-2805. PNNL-SA-95214. doi:10.1093/bioinformatics/btt465