Quantitative multiple fragment monitoring with enhanced in-source fragmentation/annotation mass spectrometry

Journal Article (2023)
Author(s)

Samuel Bernardo-Bermejo (Universidad de Alcalá)

Jingchuan Xue (Guangdong University of Technology)

Linh Hoang (Scripps Research Institute)

Elizabeth Billings (Scripps Research Institute)

Bill Webb (Scripps Research Institute)

M. Willy Honders (Leiden University Medical Center)

Sanne Venneker (Leiden University Medical Center)

Bram Heijs (Leiden University Medical Center)

EB Van Den Akker (Leiden University Medical Center, TU Delft - Pattern Recognition and Bioinformatics)

More authors (External organisation)

Research Group
Pattern Recognition and Bioinformatics
DOI related publication
https://doi.org/10.1038/s41596-023-00803-0
More Info
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Publication Year
2023
Language
English
Research Group
Pattern Recognition and Bioinformatics
Bibliographical Note
Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.@en
Issue number
4
Volume number
18
Pages (from-to)
1296-1315
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Abstract

Analytical techniques with high sensitivity and selectivity are essential to the quantitative analysis of clinical samples. Liquid chromatography coupled to tandem mass spectrometry is the gold standard in clinical chemistry. However, tandem mass spectrometers come at high capital expenditure and maintenance costs. We recently showed that it is possible to generate very similar results using a much simpler single mass spectrometry detector by performing enhanced in-source fragmentation/annotation (EISA) combined with correlated ion monitoring. Here we provide a step-by-step protocol for optimizing the analytical conditions for EISA, so anyone properly trained in liquid chromatography–mass spectrometry can follow and apply this technique for any given analyte. We exemplify the approach by using 2-hydroxyglutarate (2-HG) which is a clinically relevant metabolite whose d-enantiomer is considered an ‘oncometabolite’, characteristic of cancers associated with mutated isocitrate dehydrogenases 1 or 2 (IDH1/2). We include procedures for determining quantitative robustness, and show results of these relating to the analysis of dl-2-hydroxyglutarate in cells, as well as in serum samples from patients with acute myeloid leukemia that contain the IDH1/2 mutation. This EISA–mass spectrometry protocol is a broadly applicable and low-cost approach for the quantification of small molecules that has been developed to work well for both single-quadrupole and time-of-flight mass analyzers.

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