DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data
Sean Colby, Christine Chang, Jessica Bade, Jamie Nuñez, Madison Blumer, Daniel J. Orton, Kent Bloodsworth, Ernesto Nakayasu, Richard Smith, Yehia Ibrahim, Ryan Renslow, Thomas Metz
Abstract
-dimensional data, largely agnostic to acquisition instrumentation; algorithm implementations simultaneously utilize all dimensions to (i) offer greater separation between features, thus improving detection sensitivity, (ii) increase alignment/feature matching confidence among data sets, and (iii) mitigate convolution artifacts in tandem mass spectra. We demonstrate DEIMoS with LC-IMS-MS/MS metabolomics data to illustrate the advantages of a multidimensional approach in each data processing step.
Topics & Concepts
DeconvolutionComputer scienceMass spectrometryChemistryData processingAlgorithmDatabaseChromatographyMetabolomics and Mass Spectrometry StudiesIsotope Analysis in EcologyAdvanced Chemical Sensor Technologies