Journal
ANALYTICA CHIMICA ACTA
Volume 1022, Issue -, Pages 61-69Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.aca.2018.03.031
Keywords
Mass spectrometry imaging (MSI); label-free mass alignment; Measurement mass accuracy (MMA); MSI data pre-processing; MS peak matrix
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Funding
- Spanish Ministry of Economy and Competitivity [TEC2012-31074, TEC2015-69076-P, BES-2013-065572]
- Catalan Government's General Directorate for Research [2014 SGR 01267]
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Mass spectrometry imaging (MSI) is a technique that can map analyte spatial distribution directly onto a tissue section. This enables the spatial correlation of molecular entities with a tissue morphology to be investigated. Analyte annotation in MSI is intrinsically linked to the mass accuracy of the data. Mass accuracy and analyte identification are determined by such factors as the experimental set up and the data processing workflow. We present an MSI data processing workflow that uses a label-free approach to compensate for mass shifts. The algorithms developed were designed to perform efficiently even for datasets much larger than computer's memory. Herein, we present the application of the developed processing workflow to a dataset with more than 13.000 pixels and similar to 50.000 mass channels. We assessed the overall mass accuracy in the range m/z 400 to 1200 using silver and gold sputtered nanolayers. With our novel processing workflow we were able to obtain mass errors as low as 5 ppm using a TOF instrument. (C) 2018 Elsevier B.V. All rights reserved.
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