MSiReader v1.0: Evolving Open-Source Mass Spectrometry Imaging Software for Targeted and Untargeted Analyses

AbstractA major update to the mass spectrometry imaging (MSI) software MSiReader is presented, offering a multitude of newly added features critical to MSI analyses. MSiReader is a free, open-source, and vendor-neutral software written in the MATLAB platform and is capable of analyzing most common MSI data formats. A standalone version of the software, which does not require a MATLAB license, is also distributed. The newly incorporated data analysis features expand the utility of MSiReader beyond simple visualization of molecular distributions. The MSiQuantification tool allows researchers to calculate absolute concentrations from quantification MSI experiments exclusively through MSiReader software, significantly reducing data analysis time. An image overlay feature allows the incorporation of complementary imaging modalities to be displayed with the MSI data. A polarity filter has also been incorporated into the data loading step, allowing the facile analysis of polarity switching experiments without the need for data parsing prior to loading the data file into MSiReader. A quality assurance feature to generate a mass measurement accuracy (MMA) heatmap for an analyte of interest has also been added to allow for the investigation of MMA across the imaging experiment. Most importantly, as new features have been added performance has not degraded, in fact it has been dramatically improved. These new tools and the improvements to the performance in MSiReader v1.0 enable the MSI community to evaluate their data in greater depth and in less time. Graphical Abstractᅟ

[1]  Noelia Ramírez,et al.  Signal preprocessing, multivariate analysis and software tools for MA(LDI)-TOF mass spectrometry imaging for biological applications. , 2018, Mass spectrometry reviews.

[2]  S. Hansen,et al.  Displaced dual-mode imaging with desorption electrospray ionization for simultaneous mass spectrometry imaging in both polarities and with several scan modes. , 2013, Journal of mass spectrometry : JMS.

[3]  David C Muddiman,et al.  Infrared Matrix-Assisted Laser Desorption Electrospray Ionization (IR-MALDESI) Imaging Source Coupled to a FT-ICR Mass Spectrometer , 2012, Journal of The American Society for Mass Spectrometry.

[4]  D. Muddiman,et al.  Infrared matrix-assisted laser desorption electrospray ionization mass spectrometry imaging analysis of biospecimens. , 2016, The Analyst.

[5]  Per E Andrén,et al.  msIQuant--Quantitation Software for Mass Spectrometry Imaging Enabling Fast Access, Visualization, and Analysis of Large Data Sets. , 2016, Analytical chemistry.

[6]  Caroline H. Johnson,et al.  Metabolomics: beyond biomarkers and towards mechanisms , 2016, Nature Reviews Molecular Cell Biology.

[7]  Gérard Hopfgartner,et al.  Quantification in MALDI-MS imaging: what can we learn from MALDI-selected reaction monitoring and what can we expect for imaging? , 2015, Analytical and Bioanalytical Chemistry.

[8]  Manuel Liebeke,et al.  Unique metabolites protect earthworms against plant polyphenols , 2015, Nature Communications.

[9]  D. Muddiman,et al.  IR-MALDESI Mass Spectrometry Imaging of Biological Tissue Sections Using Ice as a Matrix , 2014, Journal of The American Society for Mass Spectrometry.

[10]  D. Muddiman,et al.  Polarity switching mass spectrometry imaging of healthy and cancerous hen ovarian tissue sections by infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI). , 2016, The Analyst.

[11]  David C Muddiman,et al.  MSiReader: An Open-Source Interface to View and Analyze High Resolving Power MS Imaging Files on Matlab Platform , 2013, Journal of The American Society for Mass Spectrometry.

[12]  Bernhard Spengler,et al.  High resolution mass spectrometry imaging of plant tissues: towards a plant metabolite atlas. , 2015, The Analyst.

[13]  P. Chaurand,et al.  Sublimation of new matrix candidates for high spatial resolution imaging mass spectrometry of lipids: enhanced information in both positive and negative polarities after 1,5-diaminonapthalene deposition. , 2012, Analytical chemistry.

[14]  T. P. Forbes,et al.  Chemical imaging of artificial fingerprints by desorption electro-flow focusing ionization mass spectrometry. , 2014, The Analyst.

[15]  H. T. Ghashghaei,et al.  Influence of Desorption Conditions on Analyte Sensitivity and Internal Energy in Discrete Tissue or Whole Body Imaging by IR-MALDESI , 2015, Journal of The American Society for Mass Spectrometry.

[16]  Markus Stoeckli,et al.  Molecular imaging of amyloid beta peptides in mouse brain sections using mass spectrometry. , 2002, Analytical biochemistry.

[17]  Josephine Bunch,et al.  SpectralAnalysis: Software for the Masses. , 2016, Analytical chemistry.

[18]  Josephine Bunch,et al.  Inclusive sharing of mass spectrometry imaging data requires a converter for all. , 2012, Journal of proteomics.

[19]  Andrew R. Korte,et al.  Multiplex Mass Spectrometric Imaging with Polarity Switching for Concurrent Acquisition of Positive and Negative Ion Images , 2013, Journal of The American Society for Mass Spectrometry.

[20]  Per E Andrén,et al.  Novel mass spectrometry imaging software assisting labeled normalization and quantitation of drugs and neuropeptides directly in tissue sections. , 2012, Journal of proteomics.

[21]  Olga Vitek,et al.  Cardinal: an R package for statistical analysis of mass spectrometry-based imaging experiments , 2015, Bioinform..

[22]  Marie-France Robbe,et al.  imzML--a common data format for the flexible exchange and processing of mass spectrometry imaging data. , 2012, Journal of proteomics.

[23]  D. Raftery,et al.  Metabolomics-based methods for early disease diagnostics , 2008, Expert review of molecular diagnostics.

[24]  Jean-Michel Ané,et al.  Multifaceted Investigation of Metabolites During Nitrogen Fixation in Medicago via High Resolution MALDI-MS Imaging and ESI-MS , 2014, Journal of The American Society for Mass Spectrometry.

[25]  Michael Becker,et al.  FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry , 2016, Nature Methods.

[26]  D. Muddiman,et al.  Quantitative mass spectrometry imaging of emtricitabine in cervical tissue model using infrared matrix-assisted laser desorption electrospray ionization , 2015, Analytical and Bioanalytical Chemistry.

[27]  M. Sussman,et al.  Examination of Endogenous Peptides in Medicago truncatula Using Mass Spectrometry Imaging. , 2016, Journal of proteome research.

[28]  R. Heeren,et al.  More from less: high-throughput dual polarity lipid imaging of biological tissues. , 2016, The Analyst.

[29]  Robert Burke,et al.  ProteoWizard: open source software for rapid proteomics tools development , 2008, Bioinform..

[30]  Dean Billheimer,et al.  Integrating histology and imaging mass spectrometry. , 2004, Analytical chemistry.