Location: Jardines de la Reina reef system south of the island of Cuba; General location: 20.8333° N, 78.9167° W

Sampling and analytical procedure summary:

Reef seawater microbial biogeochemistry and extracellular metabolite compositions were surveyed at nine, shallow (6 – 14 m in depth) forereef sites during a cruise to Jardines de la Reina (JR), Cuba in November of 2017. Seawater was also collected from two surface ‘off reef’ sites (800 – 1600 m depth).

Methods and data access for the biogeochemistry data are available from Related Dataset "Extracellular reef seawater biogeochemistry from the Jardines de la Reina reef-system" (see "Related Datasets" section).

Surface and reef depth seawater samples were also collected to quantify concentrations of known metabolites using a targeted metabolomics method and survey trends in untargeted metabolite feature composition using an untargeted method. Exometabolite extracts were subjected to reverse-phase liquid chromatography mass spectrometry after filtering and solid-phase- extraction.
Note: term "benthic" and "reef depth" are used interchangeably in columns "reef" and "Depth"

Targeted metabolomics analysis was completed using a UPLC (Accela Open Autosampler and Accela 1250 Pump, Thermo ScientificTM) coupled to a heated electrospray ionization source (H-ESI) and a triple stage quadrupole mass spectrometer (TSQ Vantage, Thermo Fisher ScientificTM), operated in selective reaction monitoring (SRM) mode. For chromatography, a Waters Acquity HSS T3 column (2.1 mm × 100 mm, 1.8 μm), equipped with a Vanguard pre-column, was used for chromatographic separation at 40 °C.

Untargeted metabolomics analysis was completed using an ultra-high performance liquid chromatography system (Vanquish UHPLC, Thermo ScientificTM) coupled with an Orbitrap Fusion Lumos Tribid mass spectrometer (Thermo ScientificTM) using the same chromatographic conditions as used for targeted metabolomics.

Detailed methods are included on the MetaboLights project page (Project MTBLS1820) and within the open access paper, Weber et al. (2020).

843270_v1_mtbls1820_samples.csv