title: LC-IMS-MS Feature Finder: detecting multidimensional liquid chromatography, ion mobility and mass spectrometry features in complex datasets.
abstract: BACKGROUND
  The addition of ion mobility spectrometry to liquid chromatography-mass spectrometry experiments requires new, or updated, software tools to facilitate data processing.
  
  
  RESULTS
  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.
  
  
  BACKGROUND
  LC-IMS-MS Feature Finder is available as a command-line tool for download at http://omics.pnl.gov/software/LC-IMS-MS_Feature_Finder.php. The Microsoft.NET Framework 4.0 is required to run the software. All other dependencies are included with the software package. Usage of this software is limited to non-profit research to use (see README).
  
  
  BACKGROUND
  rds@pnnl.gov.
  
  
  BACKGROUND
  Supplementary data are available at Bioinformatics online.
authors.affiliation: Biological Sciences Division, Pacific Northwest National Laboratory, 999 Battelle Boulevard, Richland, WA 99352, USA and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, 999 Battelle Boulevard, Richland, WA 99352, USA.
authors.forename: Kevin L
authors.initials: KL
authors.lastname: Crowell
authors.forename: Gordon W
authors.initials: GW
authors.lastname: Slysz
authors.forename: Erin S
authors.initials: ES
authors.lastname: Baker
authors.forename: Brian L
authors.initials: BL
authors.lastname: LaMarche
authors.forename: Matthew E
authors.initials: ME
authors.lastname: Monroe
authors.forename: Yehia M
authors.initials: YM
authors.lastname: Ibrahim
authors.forename: Samuel H
authors.initials: SH
authors.lastname: Payne
authors.forename: Gordon A
authors.initials: GA
authors.lastname: Anderson
authors.forename: Richard D
authors.initials: RD
authors.lastname: Smith
mesh_terms: D000465:Algorithms; D002853:Chromatography, Liquid / Q000379:methods*; D016000:Cluster Analysis; D007477:Ions; D013058:Mass Spectrometry / Q000379:methods*; D012984:Software; D013057:Spectrum Analysis / Q000379:methods
chemical_list: D007477:Ions