Fisher, Ben J; Seidel, Michael; Waite, Nicole; Manning, Miah Lynne; Cappola, Michael; Dittmar, Thorsten; Schofield, Oscar; Poulton, Alex J; Henley, Sian Frances (2026): Molecular indices, phytoplankton community composition and associated environmental parameters along the West Antarctic Peninsula in summer 2023 [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.997204 (DOI registration in progress), In: Fisher, BJ et al. (2026): Biogeochemistry of dissolved organic matter and phytoplankton communities along the West Antarctic Peninsula in summer 2023 [dataset bundled publication]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.997313 (DOI registration in progress)
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Published: 2026-09-18
Abstract:
As part of the Palmer LTER research program during a 24 day period across January 2023, we conducted oceanographic CTD sampling at 10 sites across the West Antarctic Peninsula (4 on the shelf, 6 on the coast), with a view to link different marine phytoplankton communities to distinct molecular signatures of solid phase extracted (SPE) dissolved organic matter. We include ultrahigh resolution mass spectrometry (Fourier-transform ion cyclotron resonance mass spectrometer, FT-ICR-MS) data, molecular indicies calculated from these data (IPhoto, IDeg, IBio), isotopic (SPE-DOM-d13c) and stoichiometric (SPE-DOC,SPE-DON,SPE-DOS,SPE-DOP) values. These parameters were then compared against the biovolume abundance of different phytoplankton groups, determined through Imaging Flow Cytobot (IFCB) analysis. Additionally, we include basic environmental data (DOC, TDN, Fluorescence, Temperature, Salinity).
Keyword(s):
References:
Bercovici, Sarah; Wiemers, Maren; Dittmar, Thorsten; Niggemann, Jutta (2023): Disentangling Biological Transformations and Photodegradation Processes from Marine Dissolved Organic Matter Composition in the Global Ocean. Environmental Science & Technology, 57(50), 21145-21155, https://doi.org/10.1021/acs.est.3c05929
Dittmar, Thorsten; Koch, Boris P; Hertkorn, Norbert; Kattner, Gerhard (2008): A simple and efficient method for the solid-phase extraction of dissolved organic matter (SPE-DOM) from seawater. Limnology and Oceanography-Methods, 6(6), 230-235, https://doi.org/10.4319/lom.2008.6.230
Flerus, Ruth; Lechtenfeld, Oliver Jens; Koch, Boris P; McCallister, S Leigh; Schmitt-Kopplin, Philippe; Benner, Ronald H; Kaiser, Karl; Kattner, Gerhard (2012): A molecular perspective on the ageing of marine dissolved organic matter. Biogeosciences, 9(6), 1935-1955, https://doi.org/10.5194/bg-9-1935-2012
Koch, Boris P; Dittmar, Thorsten (2006): From mass to structure: an aromaticity index for high-resolution mass data of natural organic matter. Rapid Communications in Mass Spectrometry, 20(5), 926-932, https://doi.org/10.1002/rcm.2386
Related code / software:
Sosik, Heidi (2016): IFCB-Analysis Software System, Version 2.0 [software]. zenodo, https://zenodo.org/records/153978
Project(s):
Palmer Long-Term Ecological Research (Palmer-LTER)
Funding:
German Research Foundation (DFG), grant/award no. 390741603: EXC 2077: The Ocean Floor – Earth's Uncharted Interface
Natural Environment Research Council (NERC), grant/award no. NE/S007407/1: E4: Edinburgh Earth, Ecology and Environment Doctoral Training Partnership
Coverage:
Median Latitude: -67.306592 * Median Longitude: -72.321999 * South-bound Latitude: -69.829350 * West-bound Longitude: -78.485540 * North-bound Latitude: -64.608130 * East-bound Longitude: -64.399540
Date/Time Start: 2023-01-04T10:11:30 * Date/Time End: 2023-01-28T12:04:28
Minimum DEPTH, water: 2.41 m * Maximum DEPTH, water: 3050.24 m
Event(s):
LMG2301_C1 * Latitude: -64.932620 * Longitude: -64.399540 * Date/Time: 2023-01-04T10:11:30 * Elevation: -1300.0 m * Location: Southern Ocean * Campaign: LMG2301 (LMG23-01) * Basis: Laurence M. Gould * Method/Device: CTD/Rosette (CTD-RO)
LMG2301_C2 * Latitude: -65.877580 * Longitude: -68.285540 * Date/Time: 2023-01-11T14:11:30 * Elevation: -340.0 m * Location: Southern Ocean * Campaign: LMG2301 (LMG23-01) * Basis: Laurence M. Gould * Method/Device: CTD/Rosette (CTD-RO)
LMG2301_C3 * Latitude: -68.301890 * Longitude: -69.826050 * Date/Time: 2023-01-22T03:15:00 * Elevation: -200.0 m * Location: Southern Ocean * Campaign: LMG2301 (LMG23-01) * Basis: Laurence M. Gould * Method/Device: CTD/Rosette (CTD-RO)
Comment:
Supported by the Antarctic Science International Bursary, "Is Southern Ocean dissolved organic matter export influenced by phytoplankton community composition?" https://www.antarcticsciencebursary.org.uk
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Event label | Event | Fisher, Ben J | |||
| 2 | LATITUDE | Latitude | Fisher, Ben J | Geocode | ||
| 3 | LONGITUDE | Longitude | Fisher, Ben J | Geocode | ||
| 4 | DEPTH, water | Depth water | m | Fisher, Ben J | CTD, Sea-Bird, SBE 911plus | Geocode |
| 5 | DATE/TIME | Date/Time | Fisher, Ben J | Geocode | ||
| 6 | Salinity | Sal | Fisher, Ben J | CTD, Sea-Bird, SBE 911plus | ||
| 7 | Temperature, water | Temp | °C | Fisher, Ben J | CTD, Sea-Bird, SBE 911plus | |
| 8 | Fluorescence | Fluorescence | arbitrary units | Fisher, Ben J | Fluorometer, WET Labs Inc., ECO FLRTD (Fluoro) | Raw flourescence |
| 9 | Carbon, organic, dissolved | DOC | µmol/l | Fisher, Ben J | High-temperature catalytic combustion, Shimadzu, Shimadzu TOC-VCPH equipped with TDN unit | |
| 10 | Nitrogen, total dissolved | TDN | µmol/l | Fisher, Ben J | High-temperature catalytic combustion, Shimadzu, Shimadzu TOC-VCPH equipped with TDN unit | |
| 11 | Carbon, organic, dissolved, solid phase extractable | DOC SPE | µmol/l | Fisher, Ben J | High-temperature catalytic combustion, Shimadzu, Shimadzu TOC-VCPH equipped with TDN unit | |
| 12 | Nitrogen, organic, dissolved, solid phase extractable | DON SPE | µmol/l | Fisher, Ben J | High-temperature catalytic combustion, Shimadzu, Shimadzu TOC-VCPH equipped with TDN unit | |
| 13 | Sulfur, organic, dissolved, solid phase extractable | DOS SPE | µmol/l | Fisher, Ben J | Inductively coupled plasma-quadrupole-mass spectrometry (ICP-Q-MS), Agilent 7500c | |
| 14 | Phosphorus, organic, dissolved, solid phase extractable | DOP SPE | µmol/l | Fisher, Ben J | Inductively coupled plasma-quadrupole-mass spectrometry (ICP-Q-MS), Agilent 7500c | |
| 15 | δ13C, organic matter, dissolved, solid phase extractable | δ13C DOM SPE | ‰ | Fisher, Ben J | Isotope ratio mass spectrometer, Thermo Fisher Scientific, Delta V Advantage [ConFlo III interface]; coupled to elemental analyzer, Carlo Erba, NA 2500 | |
| 16 | Mass of molecular formulas | m/z | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity weighted average mass derived from the mass-to-charge ratio in Dalton (Da) | |
| 17 | Oxygen/Carbon ratio | O/C | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity weighted Oxygen-to-Carbon ratio | |
| 18 | Hydrogen/Carbon ratio | H/C | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity weighted Hydrogen-to-Carbon ratio | |
| 19 | Aromaticity index, modified | AI mod | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity weighted average of modified Aromaticity index after Koch and Dittmar (2016) | |
| 20 | Carbon | C | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of molecular formulae containing Carbon derived by FT-ICR-MS |
| 21 | Hydrogen | H | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of molecular formulae containing Hydrogen derived by FT-ICR-MS |
| 22 | Oxygen | O | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of molecular formulae containing Oxygen derived by FT-ICR-MS |
| 23 | Nitrogen | N | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of molecular formulae containing Nitrogen (0 < N > 5) derived by FT-ICR-MS |
| 24 | Sulfur | S | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of molecular formulae containing Sulfur (0 < S > 3) derived by FT-ICR-MS |
| 25 | Phosphorus | P | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of molecular formulae containing Phosphorous (0 < P > 2) derived by FT-ICR-MS |
| 26 | Double bond equivalent | DBE | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | ||
| 27 | Highly unsaturated compounds | Highly unsat comp | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of highly unsaturated molecular formulae derived by FT-ICR-MS |
| 28 | Unsaturated compounds | Unsat comp | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of unsaturated molecular formulae derived by FT-ICR-MS |
| 29 | Saturated compounds | Sat comp | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | intensity-weighted average of saturated molecular formulae derived by FT-ICR-MS |
| 30 | Unsaturated compounds | Unsat comp | % | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | Unsaturated with nitrogen compounds, intensity-weighted average of unsaturated molecular formulae additionally containing nitrogen derived by FT-ICR-MS |
| 31 | Degradation index | DI | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | calculated following Flerus et al., (2012) | |
| 32 | Index of photodegradation | Iphoto | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | calculated following Bercovici et al., (2023) | |
| 33 | Index of biological formation and transformation | IBIO | Fisher, Ben J | Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) | calculated following Bercovici et al., (2023) | |
| 34 | Diatomaceae pennales, biovolume | Diatoma pennales biovol | µm3/ml | Fisher, Ben J | Imaging Flow Cytobot (IFCB), McLane Research Laboratories Inc. | processing following Sosik (2016) |
| 35 | Diatomaceae centrales, biovolume | Diatoma cen biovol | µm3/ml | Fisher, Ben J | Imaging Flow Cytobot (IFCB), McLane Research Laboratories Inc. | processing following Sosik (2016) |
| 36 | Cryptophyta, biovolume | Crypto biovol | µm3/ml | Fisher, Ben J | Imaging Flow Cytobot (IFCB), McLane Research Laboratories Inc. | processing following Sosik (2016) |
| 37 | Dinoflagellates, biovolume | Dinofl biovol | µm3/ml | Fisher, Ben J | Imaging Flow Cytobot (IFCB), McLane Research Laboratories Inc. | processing following Sosik (2016) |
| 38 | Flagellates indeterminata, biovolume | Flag indet biovol | µm3/ml | Fisher, Ben J | Imaging Flow Cytobot (IFCB), McLane Research Laboratories Inc. | processing following Sosik (2016) |
| 39 | Phytoplankton, non diatoms, biovolume | Phytopl non diatoms biovol | µm3/ml | Fisher, Ben J | Imaging Flow Cytobot (IFCB), McLane Research Laboratories Inc. | processing following Sosik (2016) |
License:
Creative Commons Attribution 4.0 International (CC-BY-4.0)
Status:
Curation Level: Enhanced curation (CurationLevelC)
Size:
1810 data points