Knoke, Melina; Böning, Philipp; Dittmar, Thorsten; Friebe, Matthias; Gründken, Eleonore; Günther, Jana; Klaproth, Katrin; Ulber, Ina; Simon, Heike; Seidel, Michael (2025): Molecular dissolved organic matter composition of porewater and water-extractable hot-water Soxhlet extracts [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.974049 (DOI registration in progress), In: Knoke, M et al. (2025): Molecular composition of dissolved organic matter and biogeochemical parameters in porewater of Guaymas Basin (Gulf of California) deep subsurface sediments [dataset bundled publication]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.974052 (DOI registration in progress)
Always quote citation above when using data! You can download the citation in several formats below.
Published: 2025-05-22
Abstract:
Molecular dissolved organic matter composition of porewater and water-extractable hot-water Soxhlet extracts. The dataset contains all molecular formulae found with Fourier-transform ion cyclotron resonance mass spectrometry including the respective isotope-free molecular formula, the hydrogen-to-carbon ratio (HC), oxygen-to-carbon ratio (OC), the aromatization index (AImod) and Double bond equivalent (DBE) and the relative intensity in each sample normalized to the total sum of intensities per sample. Samples were analysed with a Electrospray ionisation Fourier-transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS), Bruker Daltonik GmbH, Bremen, Germany connected to a 15 Tesla superconducting magnet (Bruker Biospin, Wissembourg, France), solariX XR, ICBM-OCEAN (https://rhea.icbm.uni-oldenburg.de/geomol/).
Funding:
Deutsche Forschungsgemeinschaft, Bonn (DFG), grant/award no. 447583997: IODP GUAYMAS BASIN - The biogeochemistry of dissolved organic matter in hydrothermal Guaymas Basin sediments
Coverage:
Median Latitude: 27.432567 * Median Longitude: -111.603883 * South-bound Latitude: 27.200000 * West-bound Longitude: -111.880000 * North-bound Latitude: 27.630000 * East-bound Longitude: -111.210000
Date/Time Start: 2016-12-15T15:46:29 * Date/Time End: 2016-12-16T19:20:48
Minimum Elevation: -1726.0 m * Maximum Elevation: -1725.0 m
Event(s):
385-U1545 * Latitude: 27.630000 * Longitude: -111.880000 * Campaign: Exp385 * Basis: Joides Resolution * Method/Device: Composite Core (COMPCORE)
385-U1547 * Latitude: 27.500000 * Longitude: -111.670000 * Campaign: Exp385 * Basis: Joides Resolution * Method/Device: Composite Core (COMPCORE)
385-U1550 * Latitude: 27.250000 * Longitude: -111.500000 * Campaign: Exp385 * Basis: Joides Resolution * Method/Device: Composite Core (COMPCORE)
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Mass of molecular formulas | m/z | Knoke, Melina | see abstract | [DA] | |
| 2 | Molecular formula | Formula | Knoke, Melina | see abstract | Isotope free | |
| 3 | Hydrogen/Carbon ratio | H/C | Knoke, Melina | see abstract | ||
| 4 | Oxygen/Carbon ratio | O/C | Knoke, Melina | see abstract | ||
| 5 | Aromaticity index, modified | AI mod | Knoke, Melina | see abstract | ||
| 6 | Double bond equivalent | DBE | Knoke, Melina | see abstract | ||
| 7 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-10H-5 (ultrapure water Soxhlet extract) | |
| 8 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-11H-5 (ultrapure water Soxhlet extract) | |
| 9 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-12H-5 (ultrapure water Soxhlet extract) | |
| 10 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-13H-5 (ultrapure water Soxhlet extract) | |
| 11 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-14H-5 (ultrapure water Soxhlet extract) | |
| 12 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-15H-5 (ultrapure water Soxhlet extract) | |
| 13 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-19F-3 (ultrapure water Soxhlet extract) | |
| 14 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-21F-2 (ultrapure water Soxhlet extract) | |
| 15 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-23F-3 (ultrapure water Soxhlet extract) | |
| 16 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-23F-3 (ultrapure water Soxhlet extract) | |
| 17 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-23F-3 (ultrapure water Soxhlet extract) | |
| 18 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-25F-2 (ultrapure water Soxhlet extract) | |
| 19 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-27F-2 (ultrapure water Soxhlet extract) | |
| 20 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-2H-4 (ultrapure water Soxhlet extract) | |
| 21 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-2H-4 (ultrapure water Soxhlet extract) | |
| 22 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-30F-2 (ultrapure water Soxhlet extract) | |
| 23 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-31F-3 (ultrapure water Soxhlet extract) | |
| 24 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-33F-3 (ultrapure water Soxhlet extract) | |
| 25 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-35F-3 (ultrapure water Soxhlet extract) | |
| 26 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-37F-3 (ultrapure water Soxhlet extract) | |
| 27 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-39F-2 (ultrapure water Soxhlet extract) | |
| 28 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-39F-2 (ultrapure water Soxhlet extract) | |
| 29 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-39F-2 (ultrapure water Soxhlet extract) | |
| 30 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-3H-4 (ultrapure water Soxhlet extract) | |
| 31 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-41F-3 (ultrapure water Soxhlet extract) | |
| 32 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-43F-3 (ultrapure water Soxhlet extract) | |
| 33 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-45F-3 (ultrapure water Soxhlet extract) | |
| 34 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-45F-3 (ultrapure water Soxhlet extract) | |
| 35 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-47F-2 (ultrapure water Soxhlet extract) | |
| 36 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-49F-2 (ultrapure water Soxhlet extract) | |
| 37 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-4H-4 (ultrapure water Soxhlet extract) | |
| 38 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-51F-3 (ultrapure water Soxhlet extract) | |
| 39 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-55F-2 (ultrapure water Soxhlet extract) | |
| 40 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-56F-3 (ultrapure water Soxhlet extract) | |
| 41 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-58F-2 (ultrapure water Soxhlet extract) | |
| 42 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-59F-2 (ultrapure water Soxhlet extract) | |
| 43 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-5H-4 (ultrapure water Soxhlet extract) | |
| 44 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-60F-2 (ultrapure water Soxhlet extract) | |
| 45 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-65X-2 (ultrapure water Soxhlet extract) | |
| 46 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-6H-4 (ultrapure water Soxhlet extract) | |
| 47 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-72X-2 (ultrapure water Soxhlet extract) | |
| 48 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-7H-4 (ultrapure water Soxhlet extract) | |
| 49 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-8H-4 (ultrapure water Soxhlet extract) | |
| 50 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-8H-4 (ultrapure water Soxhlet extract) | |
| 51 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-9H-4 (ultrapure water Soxhlet extract) | |
| 52 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-11H-3 (porewater) | |
| 53 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-12H-3 (porewater) | |
| 54 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-13H-3 (porewater) | |
| 55 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-14H-3 (porewater) | |
| 56 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-15H-3 (porewater) | |
| 57 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-19F-4 (porewater) | |
| 58 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-1H-2 (porewater) | |
| 59 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-20F-3 (porewater) | |
| 60 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-22F-3 (porewater) | |
| 61 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-25F-2 (porewater) | |
| 62 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-27F-2 (porewater) | |
| 63 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-27F-2 (porewater) | |
| 64 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-28F-3 (porewater) | |
| 65 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-2H-2 (porewater) | |
| 66 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-30F-2 (porewater) | |
| 67 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-32F-2 (porewater) | |
| 68 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-34F-3 (porewater) | |
| 69 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-36F-3 (porewater) | |
| 70 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-38F-2 (porewater) | |
| 71 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-3H-2 (porewater) | |
| 72 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-40F-3 (porewater) | |
| 73 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-42F-2 (porewater) | |
| 74 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-44F-2 (porewater) | |
| 75 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-46F-2 (porewater) | |
| 76 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-49F-2 (porewater) | |
| 77 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-4H-2 (porewater) | |
| 78 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-51F-3 (porewater) | |
| 79 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-55F-2 (porewater) | |
| 80 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-58F-2 (porewater) | |
| 81 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-5H-2 (porewater) | |
| 82 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-60F-2 (porewater) | |
| 83 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-6H-2 (porewater) | |
| 84 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-8H-2 (porewater) | |
| 85 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1545-9H-2 (porewater) | |
| 86 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-18F-3 (ultrapure water Soxhlet extract) | |
| 87 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-21F-2 (ultrapure water Soxhlet extract) | |
| 88 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-28F-2 (ultrapure water Soxhlet extract) | |
| 89 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-2H-3 (ultrapure water Soxhlet extract) | |
| 90 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-2H-3 (ultrapure water Soxhlet extract) | |
| 91 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-2H-3 (ultrapure water Soxhlet extract) | |
| 92 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-3H-3 (ultrapure water Soxhlet extract) | |
| 93 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-5H-3 (ultrapure water Soxhlet extract) | |
| 94 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-7H-3 (ultrapure water Soxhlet extract) | |
| 95 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-8H-3 (ultrapure water Soxhlet extract) | |
| 96 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-9H-3 (ultrapure water Soxhlet extract) | |
| 97 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-10H-2 (porewater) | |
| 98 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-12F-2 (porewater) | |
| 99 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-16F-2 (porewater) | |
| 100 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-18F-3 (porewater) | |
| 101 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-19F-3 (porewater) | |
| 102 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-1H-3 (porewater) | |
| 103 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-21F-2 (porewater) | |
| 104 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-24F-2 (porewater) | |
| 105 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-25F-2 (porewater) | |
| 106 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-28F-2 (porewater) | |
| 107 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-29F-2 (porewater) | |
| 108 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-2H-3 (porewater) | |
| 109 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-3H-3 (porewater) | |
| 110 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-4H-3 (porewater) | |
| 111 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-5H-3 (porewater) | |
| 112 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-6H-3 (porewater) | |
| 113 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-7H-3 (porewater) | |
| 114 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-8H-3 (porewater) | |
| 115 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1547-9H-2 (porewater) | |
| 116 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-11H-3 (ultrapure water Soxhlet extract) | |
| 117 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-13F-3 (ultrapure water Soxhlet extract) | |
| 118 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-17F-3 (ultrapure water Soxhlet extract) | |
| 119 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-19X-3 (ultrapure water Soxhlet extract) | |
| 120 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-1H-3 (ultrapure water Soxhlet extract) | |
| 121 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-2H-5 (ultrapure water Soxhlet extract) | |
| 122 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-3H-5 (ultrapure water Soxhlet extract) | |
| 123 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-5H-3 (ultrapure water Soxhlet extract) | |
| 124 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-7H-3 (ultrapure water Soxhlet extract) | |
| 125 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-9H-3 (ultrapure water Soxhlet extract) | |
| 126 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-10H-2 (porewater) | |
| 127 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-11H-2 (porewater) | |
| 128 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-12H-3 (porewater) | |
| 129 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-13F-3 (porewater) | |
| 130 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-14F-2 (porewater) | |
| 131 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-15F-2 (porewater) | |
| 132 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-16F-3 (porewater) | |
| 133 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-16F-3 (porewater) | |
| 134 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-1H-3 (porewater) | |
| 135 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-2H-3 (porewater) | |
| 136 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-3H-3 (porewater) | |
| 137 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-4H-3 (porewater) | |
| 138 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-5H-3 (porewater) | |
| 139 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-6H-3 (porewater) | |
| 140 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-7H-3 (porewater) | |
| 141 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-8H-2 (porewater) | |
| 142 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1550-9H-2 (porewater) | |
| 143 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-1H-3 (ultrapure water Soxhlet extract) | |
| 144 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-1H-3 (ultrapure water Soxhlet extract) | |
| 145 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-1H-4 (ultrapure water Soxhlet extract) | |
| 146 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-2H-1 (ultrapure water Soxhlet extract) | |
| 147 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-3H-1 (ultrapure water Soxhlet extract) | |
| 148 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-4H-3 (ultrapure water Soxhlet extract) | |
| 149 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-5H-3 (ultrapure water Soxhlet extract) | |
| 150 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-2H-6 (porewater) | |
| 151 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-3H-6 (porewater) | |
| 152 | Peak intensity | Peak int | Knoke, Melina | see abstract | 385-U1551-5H-3 (porewater) | |
| 153 | Peak intensity | Peak int | Knoke, Melina | see abstract | AT37-06-4864 (overlying seawater) | |
| 154 | Peak intensity | Peak int | Knoke, Melina | see abstract | AT37-06-4865 (overlying seawater) |
License:
Creative Commons Attribution 4.0 International (CC-BY-4.0)
Status:
Curation Level: Enhanced curation (CurationLevelC)
Size:
2828518 data points
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