MassIVE MSV000094172

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GNPS - Targeted and non-targeted mass spectrometry to explore the chemical diversity of the genus Gambierdiscus in the Atlantic Ocean

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Description

The 15 strains of Gambierdiscus were cultivated in four separate laboratories. Each laboratory grew their available strains (see sample metadata) in addition to the G. australes strain AUS S080911_1 isolated from Pacific Ocean. Irradiance (70-100 umol photons m-2 s-1) and light/dark cycle (12h:12h) were standardized between the different laboratories, the other cultivation parameters were defined by each laboratory considering optimal growth parameters and technical requirements. Samples were extracted twice in methanol 90% from freeze-dried cell pellets (2mL per million of cells). The extraction cycle was as follows: vortex 30 s, ultrasonic bath (25 kHz on ice, 15 min), vortex 30 s and centrifugation (4 000 g, 2 min). The extracts resulting from the two extraction cycles were pooled into an amber glass vial and stored at -80 C (final concentration : 250,000 cells mL-1). Metabolomic profiles were acquired by Ultra-high-performance Liquid Chromatography-High Resolution Mass Spectrometry (UHPLC-HRMS). The instrumentation consisted of a UHPLC system (1290 Infinity II, Agilent) coupled to a quadrupole-time of flight mass spectrometer (QTOF 6550, Agilent) equipped with a Dual Jet Stream electrospray ionization (ESI) interface. The analytical column was a core-shell Kinetex C18 (100 x 2.1 mm, 1.7 um, Phenomenex) with a suited guard column. Mobile phases consisted of water (A) and acetonitrile/water (95:5, V:V) (B), both containing 2 mM ammonium formate and 50 mM formic acid The flow rate was 0.4 mL min-1 and the injection volume was 5 uL. The following elution gradient was used: 5% B (0-1 min), 5-100% B (1-11 min), 100% B (11-13 min), 5% B (13-18 min). Mass spectra were recorded in both positive and negative full-scan modes from m/z 100 to 1700 at a mass resolving power of 25 000 full-width at half-maximum (fwhm, m/z = 922.0099) and an acquisition rate of 2 spectra/s. Auto-MS/MS was performed iteratively: each sample was injected 5 times in ESI+ mode and the ions fragmented were manually excluded from the following analyses [doi:10.25345/C55T3G985] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: marine toxins, ciguatera, gambierones, maitotoxins

Contact

Principal Investigators:
(in alphabetical order) 		Thomas Yon, Laboratoire METALG, Ifremer, France
Submitting User: tyon

Publications

Thomas Yon, Damien Réveillon, Manoëlla Sibat, Chris Holland, R. Wayne Litaker, Silvia M. Nascimento, Araceli E. Rossignoli, Pilar Riobó, Philipp Hess, Samuel Bertrand,.
Targeted and non-targeted mass spectrometry to explore the chemical diversity of the genus Gambierdiscus in the Atlantic Ocean.
https://doi.org/10.1016/j.phytochem.2024.114095.

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