Rapid Visualization of Chemically Related Compounds Using Kendrick Mass Defect As a Filter in Mass Spectrometry Imaging

[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 :

Issue :

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

Commentary :

Working paper is available on ChemRxiv

Available on ORBi :

since 07 June 2019

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