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Poster De Conférence Année : 2014

Metabolites identification in non-targeted metabolomics approaches : a multi-analytical mass spectrometry platform view

Résumé

Metabolomics is an area of increased interest in many scientific fields such as chemical food safety and toxicology in order to investigate and identify (bio)markers of exposure, effect and/or susceptibility. Biological samples contain hundreds or even thousands of metabolites with different physicochemical properties limiting the analysis of the entire metabolome using an unique analytical technique. Therefore, the use of a multi-analytical platform in combination with appropriated sample preparation is required to enlarge the number of metabolites detected. However, one of the most important and challenging steps of a metabolomics study is the unequivocal identification of the detected metabolites [1]. In general, different public databases are available but the most straightforward approach to obtain the unambiguous confirmation of the identity of metabolites is to analyse a commercially available standard compound using the same analytical system. As a result, an in house-database containing information about chromatographic retention time, elemental composition and fragmentation pattern has been developed to facilitate metabolite identification [2]. In addition, an automatic Excel© macro was developed to help filtering and allowing a fast and direct annotation of compounds. Criteria as retention time, accurate mass and isotopic pattern have established as a primary identification. Nevertheless, these criteria are not always sufficient for unequivocal identification and the use of tandem mass spectrometry and/or other analytical techniques are necessary. As a result a multi-analytical platform based on LC-HRMS using the complementarities of reversed phase and HILIC, and GC-MS has been developed for a comprehensive metabolomics characterization. [1] Creek, D.J., et al., Metabolomics, 2014, 350-353. [2] Courant, F., et al., Analyst, 2012, 4958–4967.

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Dates et versions

hal-04259393 , version 1 (26-10-2023)

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  • HAL Id : hal-04259393 , version 1

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Anne-Lise Royer, Hector Gallart-Ayala, Sylvain Chéreau, Fabrice Monteau, Gaud Dervilly, et al.. Metabolites identification in non-targeted metabolomics approaches : a multi-analytical mass spectrometry platform view. AISBM 2014, Oct 2014, Gif-sur Yvette, France. 2014. ⟨hal-04259393⟩
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