Knoke, Melina; Böning, Philipp; Dittmar, Thorsten; Friebe, Matthias; Gründken, Eleonore; Günther, Jana; Klaproth, Katrin; Ulber, Ina; Simon, Heike; Seidel, Michael: Molecular dissolved organic matter composition of porewater and water-extractable hot-water Soxhlet extracts [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.974049 (dataset in review), In: Knoke, M et al.: 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 (dataset in review)
Abstract:
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 with a Electropray ionisation Fourier-transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS), solariX XR, Bruker Daltonik GmbH, Bremen, Germany connected to a 15 Tesla superconducting magnet (Bruker Biospin, Wissembourg, France)/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 | Aromatic Index | AI | Knoke, Melina | see abstract | mod | |
| 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) (License comes into effect after moratorium ends)
Status:
Curation Level: Enhanced curation (CurationLevelC)
Size:
2828518 data points
Download Data (login required; moratorium until 2026-12-09)
View dataset as HTML (shows only first 2000 rows)