Metabolomics with Multi-Block Modelling of Mass Spectrometry and Nuclear Magnetic Resonance in order to Discriminate Haplosclerida Marine Sponges

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Beniddir, Mehdi, A | Le Moyec, Laurence | Nawfal Triba, Mohamed | Longeon, Arlette | Deville, Alexandre | Blond, Alain | van Cuong, Pham | de Voogd, Nicole, Jane | Bourguet-Kondracki, Marie-Lise

Edité par CCSD ; Springer Verlag -

International audience. A comprehensive metabolomic strategy, integrating 1 H NMR and MS-based multi-block modelling in conjunction with multi-informational molecular networking, has been developed to discriminate sponges of the order Haplosclerida, well known for being taxonomically contentious. A in house collection of 33 marine sponge samples belonging to three families (Callyspongiidae, Chalinidae, Petrosiidae) and four different genera (Callyspongia, Haliclona, Petrosia, Xestospongia) was investigated using LC-MS/MS, molecular networking and the annotations processes combined with NMR data and multivariate statistical modelling. The combination of MS and NMR data into supervised multivariate models led to discriminate, out of the four genera, three groups based on the presence of metabolites, not necessarily previously described in the Haplosclerida order. Although these metabolomic methods have already been applied separately, it is the first time that a multi-block untargeted approach using MS and NMR is combined with molecular networking and statistically analyzed, pointing out the pros and cons of this strategy.

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