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Maltseva, Arina L; Varfolomeeva, Marina A; Ayanka, Roman V; Gafarova, Elizaveta R; Repkin, Egor A; Pavlova, Polina A; Shavarda, Alexei L; Mikhailova, Natalia A; Granovitch, Andrei I (2021): Metabolomes in sympatric populations of closely related species of the genus Littorina (Neritrema) in two sites in the Norwegian and Barents Sea [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.923721, In: Maltseva, AL et al. (2021): Microhabitat distribution, shell shape, and metabolomes in sympatric populations of closely related species of the genus Littorina (Neritrema) in two sites in the Norwegian and Barents Sea [dataset bundled publication]. PANGAEA, https://doi.org/10.1594/PANGAEA.923735

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Abstract:
This zip file contains metabolomic data from gas chromatography mass-spectrometry analysis. Metabolites identification was done using fragmented spectra NIST (National Institute of Standards and Technology) database and standard chromatograms of single amino acids, monosaccharides, fatty acids manually and their mixtures.
Keyword(s):
cryptic species; ecological niche; ecological speciation; geometric morphometrics; Littorina; metabolomics; microhabitat distribution; morphological disparity; niche differentiation; shell shape
Coverage:
Median Latitude: 68.518625 * Median Longitude: 21.975920 * South-bound Latitude: 66.969500 * West-bound Longitude: 13.974030 * North-bound Latitude: 70.067750 * East-bound Longitude: 29.977810
Date/Time Start: 2019-06-29T00:00:00 * Date/Time End: 2019-07-12T00:00:00
Event(s):
Saltstraumen * Latitude: 66.969500 * Longitude: 13.974030 * Date/Time Start: 2019-06-29T00:00:00 * Date/Time End: 2019-07-05T00:00:00 * Location: Norwegian Sea * Method/Device: Multiple investigations (MULT)
Varangerfjord * Latitude: 70.067750 * Longitude: 29.977810 * Date/Time Start: 2019-07-09T00:00:00 * Date/Time End: 2019-07-12T00:00:00 * Location: Barents Sea * Method/Device: Multiple investigations (MULT)
Comment:
- metabolome.csv [comma separated] - log2-transformed and normalized by sample weight detection intensities form GC-MS/MS analysis:
= "ID" [text] - metabolome sample id
= "Site" [text] - the name of the sampling site ("Saltstraumen", "Varangerfjord");
= "Level" [text] - level of the intertidal zone ("upper" or "lower");
= "Species" [text] - species of Littorina (L.arcana, L.saxatilis, L.compressa, L.obtusata, L.fabalis) ;
= "Cpd_1"-"Cpd_91" [relative units] - log-transformed and normalized by sample weight detection intensities of compounds form GC-MS/MS analysis.
- metabolites.csv [comma separated] - list of identified/unidentified chemical compounds and their characteristics:
= "Compound" [text] - compound identifiers numbered according to order of elution;
= "Identification" [text] - compound name according to identification results; unk[principal ion mass] code for compounds not identified based on available NIST database and standards, TMS code for trimethylsilyl groups number, P code for monosaccharide in pyranose form, F code for monosaccharide in furanose form, MAG code for monoacylglycerol;
= "Retention_time" [minutes] - retention time;
= "Retention_index" [dimensionless] - retention index.
Size:
24 kBytes

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