Environmental parameters and molcecular indices derived from ultra-high resolution mass spectrometry (FT-ICR-MS)
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PANGAEA
2025
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| author | Seidel, Michael Knoke, Melina Klaproth, Katrin Friebe, Matthias Ulber, Ina Ida Lehners, Carola Schnetger, Bernhard Zielinski, Oliver Dittmar, Thorsten |
| author_facet | Seidel, Michael Knoke, Melina Klaproth, Katrin Friebe, Matthias Ulber, Ina Ida Lehners, Carola Schnetger, Bernhard Zielinski, Oliver Dittmar, Thorsten |
| collection | Datos científicos de ciencias marinas y ambientales |
| contents | We studied dissolved organic matter (DOM) dynamics in a mangrove-fringed estuary in North Brazil, linking DOM composition to redox conditions at its formation sites. By combining molecular analyses with nutrient and trace metal data, we highlight the outwelling of recalcitrant DOM as a significant contributor to coastal carbon storage and present a novel molecular index (ISuP) for distinguishing DOM sources in complex coastal ecosystems. This dataset contains dissolved organic matter (DOM) molecular data from ultrahigh-resolution mass spectrometry (Fourier-transform ion cyclotron resonance mass spectrometer, FT-ICR-MS), molecular indices calculated from the FT-ICR-MS data (ISuP and ITerr) and environmental data, including dissolved organic carbon (DOC), nutrient (NOx and phosphate), and trace metal (Fe,Mn, Ba) data. Water samples were collected along a mangrove-fringed estuary near Bragança in Pará State (Brazil). Furthermore, it contains porewater samples from eight locations in the mangrove forest and tidal water samples from a mangrove creek, as described in Knoke et al. (2024). |
| format | Dataset Open Access |
| id | pangaea_https___doi_org_10_1594_PANGAEA_974787 |
| institution | PANGAEA |
| language | en |
| publishDate | 2025 |
| publisher | PANGAEA |
| record_format | pangaea |
| spellingShingle | Environmental parameters and molcecular indices derived from ultra-high resolution mass spectrometry (FT-ICR-MS) Seidel, Michael Knoke, Melina Klaproth, Katrin Friebe, Matthias Ulber, Ina Ida Lehners, Carola Schnetger, Bernhard Zielinski, Oliver Dittmar, Thorsten Aromaticity index, modified; Barium; Biological index; BUCKET; Bucket water sampling; Carbon, organic, dissolved; Conductivity meter, Hach Lange, HQ40D hand device; CDC40101 conductivity sensor; Conductivity meter, Hach Lange, HQ40D hand device; LDO101 Oxygen sensor; DATE/TIME; DEPTH, water; DOM; Event label; FDOM; Fluorescence, dissolved organic matter; Fluorescence spectrometer, Horiba, AquaLog; followed by parallel factor analysis in Matlab; Fluorometer/Turbiditymeter, Turner Designs, Aqualog handheld 8000-101 [wavelengths 350 nm excitation, 420 nm detection]; Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS); FT-ICR-MS; Highly aromatic compounds; Highly unsaturated compounds; High-temperature catalytic combustion, Shimadzu, Shimadzu TOC-VCPH equipped with TDN unit; Humification index; Hydrogen/Carbon ratio; Inductively coupled plasma optical emission spectrometer (ICP-OES), Thermo, iCAP 6000; Iron; Isotope-ratio-monitoring mass spectrometer (IR MS), Finnigan, MAT 252; via Conflo II split interface; LATITUDE; LONGITUDE; Manganese; mangroves; MARDOS_2017; MARDOS_Estuary_S1; MARDOS_Estuary_S10; MARDOS_Estuary_S11; MARDOS_Estuary_S12; MARDOS_Estuary_S13; MARDOS_Estuary_S14; MARDOS_Estuary_S15; MARDOS_Estuary_S16; MARDOS_Estuary_S17; MARDOS_Estuary_S18; MARDOS_Estuary_S19; MARDOS_Estuary_S2; MARDOS_Estuary_S20; MARDOS_Estuary_S21; MARDOS_Estuary_S22; MARDOS_Estuary_S23; MARDOS_Estuary_S3; MARDOS_Estuary_S4; MARDOS_Estuary_S5; MARDOS_Estuary_S6; MARDOS_Estuary_S7; MARDOS_Estuary_S8; MARDOS_Estuary_S9; MARDOS_Porewater_1; MARDOS_Porewater_2; MARDOS_Porewater_3; MARDOS_Porewater_4; MARDOS_Porewater_5; MARDOS_Porewater_6; MARDOS_Porewater_7; MARDOS_Porewater_8; MARDOS_Tidalcycle_HT1; MARDOS_Tidalcycle_HT2; MARDOS_Tidalcycle_HT3; MARDOS_Tidalcycle_HT4; MARDOS_Tidalcycle_HT5; MARDOS_Tidalcycle_HT6; MARDOS_Tidalcycle_HT7; MARDOS_Tidalcycle_LT1; MARDOS_Tidalcycle_LT2; MARDOS_Tidalcycle_LT3; MARDOS_Tidalcycle_LT4; MARDOS_Tidalcycle_LT5; MARDOS_Tidalcycle_LT6; MARDOS_Tidalcycle_LT7; Mass of molecular formulas; Nitrate and Nitrite; Nitrogen; Nitrogen, total dissolved; nutrients; Oxygen; Oxygen/Carbon ratio; Percentage; Phosphate; Phosphorus; Polycyclic aromatic compounds; Porewater_1; Porewater_2; Porewater_3; Porewater_4; Porewater_5; Porewater_6; Porewater_7; Porewater_8; Salinity; Sampling on land; Scooped porewater from dug holes; Spectrophotometer, Thermo Fisher Scientific, Multiscan GO Microplate; Station 01; Station 02; Station 03; Station 04; Station 05; Station 06; Station 07; Station 08; Station 09; Station 10; Station 11; Station 12; Station 13; Station 14; Station 15; Station 16; Station 17; Station 18; Station 19; Station 20; Station 21; Station 22; Station 23; Sulfur; Sulfurized porewater index; Terrestrial index; Tidal_02-Oct-HT_B; Tidal_02-Oct-LT_B; Tidal_04-Oct-HT_B; Tidal_04-Oct-LT_B; Tidal_06-Oct-HT_B; Tidal_06-Oct-LT_B; Tidal_07-Oct-HT_B; Tidal_07-Oct-LT_B; Tidal_27-Sep-HT_B; Tidal_27-Sep-LT_B; Tidal_28-Sep-HT_B; Tidal_28-Sep-LT_B; Tidal_30-Sep-HT_B; Tidal_30-Sep-LT_B; trace metals Fe/Mn/Ba; Unsaturated compounds; δ13C, organic matter, dissolved, solid phase extractable We studied dissolved organic matter (DOM) dynamics in a mangrove-fringed estuary in North Brazil, linking DOM composition to redox conditions at its formation sites. By combining molecular analyses with nutrient and trace metal data, we highlight the outwelling of recalcitrant DOM as a significant contributor to coastal carbon storage and present a novel molecular index (ISuP) for distinguishing DOM sources in complex coastal ecosystems. This dataset contains dissolved organic matter (DOM) molecular data from ultrahigh-resolution mass spectrometry (Fourier-transform ion cyclotron resonance mass spectrometer, FT-ICR-MS), molecular indices calculated from the FT-ICR-MS data (ISuP and ITerr) and environmental data, including dissolved organic carbon (DOC), nutrient (NOx and phosphate), and trace metal (Fe,Mn, Ba) data. Water samples were collected along a mangrove-fringed estuary near Bragança in Pará State (Brazil). Furthermore, it contains porewater samples from eight locations in the mangrove forest and tidal water samples from a mangrove creek, as described in Knoke et al. (2024). |
| title | Environmental parameters and molcecular indices derived from ultra-high resolution mass spectrometry (FT-ICR-MS) |
| topic | Aromaticity index, modified; Barium; Biological index; BUCKET; Bucket water sampling; Carbon, organic, dissolved; Conductivity meter, Hach Lange, HQ40D hand device; CDC40101 conductivity sensor; Conductivity meter, Hach Lange, HQ40D hand device; LDO101 Oxygen sensor; DATE/TIME; DEPTH, water; DOM; Event label; FDOM; Fluorescence, dissolved organic matter; Fluorescence spectrometer, Horiba, AquaLog; followed by parallel factor analysis in Matlab; Fluorometer/Turbiditymeter, Turner Designs, Aqualog handheld 8000-101 [wavelengths 350 nm excitation, 420 nm detection]; Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS); FT-ICR-MS; Highly aromatic compounds; Highly unsaturated compounds; High-temperature catalytic combustion, Shimadzu, Shimadzu TOC-VCPH equipped with TDN unit; Humification index; Hydrogen/Carbon ratio; Inductively coupled plasma optical emission spectrometer (ICP-OES), Thermo, iCAP 6000; Iron; Isotope-ratio-monitoring mass spectrometer (IR MS), Finnigan, MAT 252; via Conflo II split interface; LATITUDE; LONGITUDE; Manganese; mangroves; MARDOS_2017; MARDOS_Estuary_S1; MARDOS_Estuary_S10; MARDOS_Estuary_S11; MARDOS_Estuary_S12; MARDOS_Estuary_S13; MARDOS_Estuary_S14; MARDOS_Estuary_S15; MARDOS_Estuary_S16; MARDOS_Estuary_S17; MARDOS_Estuary_S18; MARDOS_Estuary_S19; MARDOS_Estuary_S2; MARDOS_Estuary_S20; MARDOS_Estuary_S21; MARDOS_Estuary_S22; MARDOS_Estuary_S23; MARDOS_Estuary_S3; MARDOS_Estuary_S4; MARDOS_Estuary_S5; MARDOS_Estuary_S6; MARDOS_Estuary_S7; MARDOS_Estuary_S8; MARDOS_Estuary_S9; MARDOS_Porewater_1; MARDOS_Porewater_2; MARDOS_Porewater_3; MARDOS_Porewater_4; MARDOS_Porewater_5; MARDOS_Porewater_6; MARDOS_Porewater_7; MARDOS_Porewater_8; MARDOS_Tidalcycle_HT1; MARDOS_Tidalcycle_HT2; MARDOS_Tidalcycle_HT3; MARDOS_Tidalcycle_HT4; MARDOS_Tidalcycle_HT5; MARDOS_Tidalcycle_HT6; MARDOS_Tidalcycle_HT7; MARDOS_Tidalcycle_LT1; MARDOS_Tidalcycle_LT2; MARDOS_Tidalcycle_LT3; MARDOS_Tidalcycle_LT4; MARDOS_Tidalcycle_LT5; MARDOS_Tidalcycle_LT6; MARDOS_Tidalcycle_LT7; Mass of molecular formulas; Nitrate and Nitrite; Nitrogen; Nitrogen, total dissolved; nutrients; Oxygen; Oxygen/Carbon ratio; Percentage; Phosphate; Phosphorus; Polycyclic aromatic compounds; Porewater_1; Porewater_2; Porewater_3; Porewater_4; Porewater_5; Porewater_6; Porewater_7; Porewater_8; Salinity; Sampling on land; Scooped porewater from dug holes; Spectrophotometer, Thermo Fisher Scientific, Multiscan GO Microplate; Station 01; Station 02; Station 03; Station 04; Station 05; Station 06; Station 07; Station 08; Station 09; Station 10; Station 11; Station 12; Station 13; Station 14; Station 15; Station 16; Station 17; Station 18; Station 19; Station 20; Station 21; Station 22; Station 23; Sulfur; Sulfurized porewater index; Terrestrial index; Tidal_02-Oct-HT_B; Tidal_02-Oct-LT_B; Tidal_04-Oct-HT_B; Tidal_04-Oct-LT_B; Tidal_06-Oct-HT_B; Tidal_06-Oct-LT_B; Tidal_07-Oct-HT_B; Tidal_07-Oct-LT_B; Tidal_27-Sep-HT_B; Tidal_27-Sep-LT_B; Tidal_28-Sep-HT_B; Tidal_28-Sep-LT_B; Tidal_30-Sep-HT_B; Tidal_30-Sep-LT_B; trace metals Fe/Mn/Ba; Unsaturated compounds; δ13C, organic matter, dissolved, solid phase extractable |
| url | https://doi.org/10.1594/PANGAEA.974787 |