Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019
Copious amounts of organic carbon are stored for long periods of time in deep continental groundwaters. Little is known about its composition and cycling, mainly due to the difficulties in obtaining sample material. Cool fracture waters of different origins can be obtained under clean conditions at...
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ftpangaea:oai:pangaea.de:doi:10.1594/PANGAEA.939623 2023-05-15T16:12:56+02:00 Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 Osterholz, Helena Turner, Stephnie Alakangas, Linda Tullborg, Eva-Lena Kalinowski, Birgitta Dittmar, Thorsten Dopson, Mark MEDIAN LATITUDE: 57.398037 * MEDIAN LONGITUDE: 16.685330 * SOUTH-BOUND LATITUDE: 56.918333 * WEST-BOUND LONGITUDE: 16.651667 * NORTH-BOUND LATITUDE: 57.433440 * EAST-BOUND LONGITUDE: 17.051667 * DATE/TIME START: 2018-11-16T00:00:00 * DATE/TIME END: 2019-10-04T00:00:00 * MINIMUM ELEVATION: -507.0 m * MAXIMUM ELEVATION: 0.0 m 2021-12-16 text/tab-separated-values, 814592 data points https://doi.pangaea.de/10.1594/PANGAEA.939623 https://doi.org/10.1594/PANGAEA.939623 en eng PANGAEA Osterholz, Helena; Turner, Stephanie; Alakangas, Linda J; Tullborg, Eva-Lena; Dittmar, Thorsten; Kalinowski, Birgitta E; Dopson, Mark (2022): Terrigenous dissolved organic matter persists in the energy-limited deep groundwaters of the Fennoscandian Shield. Nature Communications, 13(1), 4837, https://doi.org/10.1038/s41467-022-32457-z Osterholz, Helena; Turner, Stephnie; Alakangas, Linda; Tullborg, Eva-Lena; Kalinowski, Birgitta; Dittmar, Thorsten; Dopson, Mark (2021): Water chemistry of unfiltered groundwater samples from the Fennoscandian Shield deep terrestrial biosphere in 2018 and 2019. PANGAEA, https://doi.org/10.1594/PANGAEA.939654 https://doi.pangaea.de/10.1594/PANGAEA.939623 https://doi.org/10.1594/PANGAEA.939623 CC-BY-4.0: Creative Commons Attribution 4.0 International Access constraints: unrestricted info:eu-repo/semantics/openAccess CC-BY aquifer Aromaticity index modified BalticSea_Äspö BalticSea_Kalmar Double bond equivalent Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS 15 T Bruker Solarix) FT-ICR-MS groundwater HA2780A_1 Hydrogen/Carbon ratio KA1755A_3 KA2051A01_5 KA2511A_5 KA2862A_1 KA2865A01_1 KA3105A_3 KA3385A_1 KA3510A_2 KA3600F_2 Mass of molecular formulas Molecular formula Nitrogen/Carbon ratio Oxygen/Carbon ratio Peak intensity Phosphorus/Carbon ratio Presence/absence SA1229A_1 SA1730A_1 SA2600A_1 Sulfur/Carbon ratio Sweden Dataset 2021 ftpangaea https://doi.org/10.1594/PANGAEA.939623 https://doi.org/10.1038/s41467-022-32457-z https://doi.org/10.1594/PANGAEA.939654 2023-01-20T09:15:37Z Copious amounts of organic carbon are stored for long periods of time in deep continental groundwaters. Little is known about its composition and cycling, mainly due to the difficulties in obtaining sample material. Cool fracture waters of different origins can be obtained under clean conditions at Äspö Hard Rock Laboratory (Äspö HRL, Sweden), operated by the Swedish Nuclear Fuel and Waste Management Company (SKB). We sampled groundwater from different depth (171 to 507 meter below sea level) in the bedrock fractures in November 2018 and March-April 2019. We assessed water chemistry and dissolved organic matter composition via stable carbon isotopic and molecular-formula level analysis in recent Baltic Sea-influenced to old saline fracture waters in the granitic Fennoscandian shield. Molecular-level dissolved organic matter composition via Fourier-transform ion cyclotron resonance mass spectrometry using electrospray ionization in negative mode (FT-ICR-MS, 15 T Bruker Solarix) was done on solid-phase extracted (PPL) DOM extracts. Relative peak intensities from FT-ICR-MS with molecular formula attributions, elemental ratios and compound group classification of the final dataset are given. ICBM-Ocean was used for processing of FT-ICR mass spectra and formula attribution (Merder et al., 2020; doi:10.1021/acs.analchem.9b05659). Dataset Fennoscandian PANGAEA - Data Publisher for Earth & Environmental Science ENVELOPE(16.651667,17.051667,57.433440,56.918333) |
institution |
Open Polar |
collection |
PANGAEA - Data Publisher for Earth & Environmental Science |
op_collection_id |
ftpangaea |
language |
English |
topic |
aquifer Aromaticity index modified BalticSea_Äspö BalticSea_Kalmar Double bond equivalent Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS 15 T Bruker Solarix) FT-ICR-MS groundwater HA2780A_1 Hydrogen/Carbon ratio KA1755A_3 KA2051A01_5 KA2511A_5 KA2862A_1 KA2865A01_1 KA3105A_3 KA3385A_1 KA3510A_2 KA3600F_2 Mass of molecular formulas Molecular formula Nitrogen/Carbon ratio Oxygen/Carbon ratio Peak intensity Phosphorus/Carbon ratio Presence/absence SA1229A_1 SA1730A_1 SA2600A_1 Sulfur/Carbon ratio Sweden |
spellingShingle |
aquifer Aromaticity index modified BalticSea_Äspö BalticSea_Kalmar Double bond equivalent Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS 15 T Bruker Solarix) FT-ICR-MS groundwater HA2780A_1 Hydrogen/Carbon ratio KA1755A_3 KA2051A01_5 KA2511A_5 KA2862A_1 KA2865A01_1 KA3105A_3 KA3385A_1 KA3510A_2 KA3600F_2 Mass of molecular formulas Molecular formula Nitrogen/Carbon ratio Oxygen/Carbon ratio Peak intensity Phosphorus/Carbon ratio Presence/absence SA1229A_1 SA1730A_1 SA2600A_1 Sulfur/Carbon ratio Sweden Osterholz, Helena Turner, Stephnie Alakangas, Linda Tullborg, Eva-Lena Kalinowski, Birgitta Dittmar, Thorsten Dopson, Mark Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 |
topic_facet |
aquifer Aromaticity index modified BalticSea_Äspö BalticSea_Kalmar Double bond equivalent Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS 15 T Bruker Solarix) FT-ICR-MS groundwater HA2780A_1 Hydrogen/Carbon ratio KA1755A_3 KA2051A01_5 KA2511A_5 KA2862A_1 KA2865A01_1 KA3105A_3 KA3385A_1 KA3510A_2 KA3600F_2 Mass of molecular formulas Molecular formula Nitrogen/Carbon ratio Oxygen/Carbon ratio Peak intensity Phosphorus/Carbon ratio Presence/absence SA1229A_1 SA1730A_1 SA2600A_1 Sulfur/Carbon ratio Sweden |
description |
Copious amounts of organic carbon are stored for long periods of time in deep continental groundwaters. Little is known about its composition and cycling, mainly due to the difficulties in obtaining sample material. Cool fracture waters of different origins can be obtained under clean conditions at Äspö Hard Rock Laboratory (Äspö HRL, Sweden), operated by the Swedish Nuclear Fuel and Waste Management Company (SKB). We sampled groundwater from different depth (171 to 507 meter below sea level) in the bedrock fractures in November 2018 and March-April 2019. We assessed water chemistry and dissolved organic matter composition via stable carbon isotopic and molecular-formula level analysis in recent Baltic Sea-influenced to old saline fracture waters in the granitic Fennoscandian shield. Molecular-level dissolved organic matter composition via Fourier-transform ion cyclotron resonance mass spectrometry using electrospray ionization in negative mode (FT-ICR-MS, 15 T Bruker Solarix) was done on solid-phase extracted (PPL) DOM extracts. Relative peak intensities from FT-ICR-MS with molecular formula attributions, elemental ratios and compound group classification of the final dataset are given. ICBM-Ocean was used for processing of FT-ICR mass spectra and formula attribution (Merder et al., 2020; doi:10.1021/acs.analchem.9b05659). |
format |
Dataset |
author |
Osterholz, Helena Turner, Stephnie Alakangas, Linda Tullborg, Eva-Lena Kalinowski, Birgitta Dittmar, Thorsten Dopson, Mark |
author_facet |
Osterholz, Helena Turner, Stephnie Alakangas, Linda Tullborg, Eva-Lena Kalinowski, Birgitta Dittmar, Thorsten Dopson, Mark |
author_sort |
Osterholz, Helena |
title |
Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 |
title_short |
Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 |
title_full |
Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 |
title_fullStr |
Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 |
title_full_unstemmed |
Dissolved organic matter composition in the Fennoscandian Shield deep terrestrial biosphere (FT-ICR-MS), 2018 and 2019 |
title_sort |
dissolved organic matter composition in the fennoscandian shield deep terrestrial biosphere (ft-icr-ms), 2018 and 2019 |
publisher |
PANGAEA |
publishDate |
2021 |
url |
https://doi.pangaea.de/10.1594/PANGAEA.939623 https://doi.org/10.1594/PANGAEA.939623 |
op_coverage |
MEDIAN LATITUDE: 57.398037 * MEDIAN LONGITUDE: 16.685330 * SOUTH-BOUND LATITUDE: 56.918333 * WEST-BOUND LONGITUDE: 16.651667 * NORTH-BOUND LATITUDE: 57.433440 * EAST-BOUND LONGITUDE: 17.051667 * DATE/TIME START: 2018-11-16T00:00:00 * DATE/TIME END: 2019-10-04T00:00:00 * MINIMUM ELEVATION: -507.0 m * MAXIMUM ELEVATION: 0.0 m |
long_lat |
ENVELOPE(16.651667,17.051667,57.433440,56.918333) |
genre |
Fennoscandian |
genre_facet |
Fennoscandian |
op_relation |
Osterholz, Helena; Turner, Stephanie; Alakangas, Linda J; Tullborg, Eva-Lena; Dittmar, Thorsten; Kalinowski, Birgitta E; Dopson, Mark (2022): Terrigenous dissolved organic matter persists in the energy-limited deep groundwaters of the Fennoscandian Shield. Nature Communications, 13(1), 4837, https://doi.org/10.1038/s41467-022-32457-z Osterholz, Helena; Turner, Stephnie; Alakangas, Linda; Tullborg, Eva-Lena; Kalinowski, Birgitta; Dittmar, Thorsten; Dopson, Mark (2021): Water chemistry of unfiltered groundwater samples from the Fennoscandian Shield deep terrestrial biosphere in 2018 and 2019. PANGAEA, https://doi.org/10.1594/PANGAEA.939654 https://doi.pangaea.de/10.1594/PANGAEA.939623 https://doi.org/10.1594/PANGAEA.939623 |
op_rights |
CC-BY-4.0: Creative Commons Attribution 4.0 International Access constraints: unrestricted info:eu-repo/semantics/openAccess |
op_rightsnorm |
CC-BY |
op_doi |
https://doi.org/10.1594/PANGAEA.939623 https://doi.org/10.1038/s41467-022-32457-z https://doi.org/10.1594/PANGAEA.939654 |
_version_ |
1765998546056642560 |