Data Filtering; Mass Spectrometry Imaging; Kendrick Mass Defect
Abstract :
[en] Kendrick mass defect (KMD) analysis is widely used for helping the detection and identification of chemically related compounds based on exact mass measurements. We report here the use of KMD as a criterion for filtering complex mass spectrometry data set. The method allow automated, easy and efficient data processing, enabling the reconstruction of 2D distributions of families of homologous compounds from MSI images. We show that KMD filtering, based on in-house software, is suitable and robust for high resolution (full width at half-maximum, fwhm, at m/z 410 of 20 000) and very high-resolution (fwhm, at m/z 410 of 160 000) MSI data. This method has been successfully applied to two different types of samples, bacteria cocultures, and brain tissue sections.
Research Center/Unit :
MolSys - Molecular Systems - ULiège
Disciplines :
Chemistry
Author, co-author :
Kune, Christopher ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Mc Cann, Andréa ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
La Rocca, Raphaël ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Arguelles Arias, Anthony ; Université de Liège - ULiège > Département GxABT > Microbial, food and biobased technologies
Tiquet, Mathieu ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique inorganique
Van Kruining, Dann
Martinez Martinez, Pilar
Ongena, Marc ; Université de Liège - ULiège > Département GxABT > Microbial, food and biobased technologies
Eppe, Gauthier ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique inorganique
Quinton, Loïc ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie biologique
Far, Johann ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique inorganique
De Pauw, Edwin ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique inorganique
Language :
English
Title :
Rapid Visualization of Chemically Related Compounds Using Kendrick Mass Defect As a Filter in Mass Spectrometry Imaging
Publication date :
11 September 2019
Journal title :
Analytical Chemistry
ISSN :
0003-2700
eISSN :
1520-6882
Publisher :
American Chemical Society, United States - District of Columbia
Volume :
91
Issue :
20
Pages :
13112-13118
Peer reviewed :
Peer Reviewed verified by ORBi
European Projects :
H2020 - 731077 - EU_FT-ICR_MS - European Network of Fourier-Transform Ion-Cyclotron-Resonance Mass Spectrometry Centers
Name of the research project :
RHIZOCLIP
Funders :
F.R.S.-FNRS - Fonds de la Recherche Scientifique CE - Commission Européenne
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