OmniSpect: An Open MATLAB-Based Tool for Visualization and Analysis of Matrix-Assisted Laser Desorption/Ionization and Desorption Electrospray Ionization Mass Spectrometry Images

• Authors: R. Mitchell Parry, Emory University; Asiri S. Galhena, Georgia Institute of Technology; Chaminda M. Gamage, Georgia Institute of Technology; Rachel V. Bennett, Georgia Institute of Technology; Dongmei Wang, Emory University; Facundo M. Fernandez, Georgia Institute of Technology
• Journal Title: Journal of the American Society for Mass Spectrometry
• Volume: Volume 24, Number 4
• Publisher: Springer | 2013-04-01, Pages 646-649
• Type of Work: Article | Post-print: After Peer Review
• Publisher DOI: http://doi.org/10.1007/s13361-012-0572-y
• Subjects: Engineering, Biomedical
• Keywords: Science & Technology; Life Sciences & Biomedicine; Physical Sciences; Technology; Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy; Biochemistry & Molecular Biology; Chemistry; Mass spectrometry imaging; Desorption electrospray ionization (DESI); Matrix-assisted laser desorption ionization (MALDI); Data processing; Multivariate image analysis; Web-based tool; Software; MATLAB; MULTIVARIATE STATISTICAL-ANALYSIS; TOF-SIMS; CURVE RESOLUTION; SYSTEM

Abstract

We present omniSpect, an open source web- and MATLAB-based software tool for both desorption electrospray ionization (DESI) and matrix-assisted laser desorption ionization (MALDI) mass spectrometry imaging (MSI) that performs computationally intensive functions on a remote server. These functions include converting data from a variety of file formats into a common format easily manipulated in MATLAB, transforming time-series mass spectra into mass spectrometry images based on a probe spatial raster path, and multivariate analysis. OmniSpect provides an extensible suite of tools to meet the computational requirements needed for visualizing open and proprietary format MSI data.