/* DATA DESCRIPTION: Citation: Brünjes, Jonas; Schubotz, Florence (2022): Calculated intensity-weighted parameters and relative assignments to compound groups of FT-MS measurements of DOM for each sample from sediment core GeoB 19339-1 [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.946418, In: Brünjes, J; Schubotz, F (2022): Chapopote asphalt volcano (GOM): asphalt dissolved organic matter released in mesocosm experiments (M114/2, GeoB 19339-1) [dataset publication series]. PANGAEA, https://doi.org/10.1594/PANGAEA.946420 Keyword(s): black carbon; Deep sea; Dissolved Organic Matter; dissolved organic sulfur; FT-ICR MS; mesocosm; Oil seeps; PARAFAC Project(s): Center for Marine Environmental Sciences (MARUM) (URI: https://www.marum.de/en/) Funding: German Research Foundation (DFG) (URI: http://www.dfg.de/en/), grant/award no. 390741603: EXC 2077: The Ocean Floor – Earth's Uncharted Interface (URI: https://gepris.dfg.de/project/390741603) Coverage: LATITUDE: 21.899183 * LONGITUDE: -93.436833 DATE/TIME START: 2015-03-16T11:23:00 * DATE/TIME END: 2015-03-16T11:23:00 MINIMUM ELEVATION: -2905.0 m * MAXIMUM ELEVATION: -2905.0 m Event(s): GeoB19339-1 (M114/2_96-1) * LATITUDE: 21.899183 * LONGITUDE: -93.436833 * DATE/TIME: 2015-03-16T11:23:00 * ELEVATION: -2905.0 m * LOCATION: Gulf of Mexico * CAMPAIGN: M114/2 * BASIS: Meteor (1986) (URI: https://en.wikipedia.org/wiki/RV_Meteor_(1986)) * METHOD/DEVICE: Gravity corer (GC) * COMMENT: Recovery of piece of asphalt and sediment Comment: Based on molecular formulae assigned to ESI-FT-ICR-MS peaks (Electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry). Compound group assignments after Seidel et al. 2014; https://doi.org/10.1016/j.gca.2014.05.038 Parameter(s): Sample ID (Sample ID) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) Unified atomic mass [u] (UAM) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * COMMENT: FTMS peak intensity-weighted mean Polycondensed aromatics [%] (PCA) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: % relative to all molecular formulae, polycondensed aromatics, Aimod >0.66) Aromatics [%] (Aromatics) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: % relative to all molecular formulae, polycondensed aromatics, 0.5 < Aimod >0. 66 Aromatics [%] (Aromatics) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: Highly unsaturated (% relative to all molecular formulae, Aimod < 0.5, H/C < 1.5, O/C < 0.9) Aliphatic hydrocarbons [%] (AHC) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: Unsaturated aliphatics (% relative to all molecular formulae, 1.5 < H/C <2, P/C < 0.9, N = 0) Hydrogen/Carbon ratio (H/C) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: FTMS peak intensity-weighted mean H/C ratio Oxygen/Carbon ratio (O/C) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: FTMS peak intensity-weighted mean O/C ratio Peak intensity (Peak int) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment Peak intensity (Peak int) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment Carbohydrates [%] (CHO) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: % relative to all molecular formulae, molecular formulae containing only CHO Nitrogen [%] (N) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: % relative to all molecular formulae, molecular formulae containing Nitrogen Sulfur [%] (S) * PI: Brünjes, Jonas (https://orcid.org/0000-0001-7759-2583, jbruenjes@marum.de) * METHOD/DEVICE: Calculated, see Comment * COMMENT: % relative to all molecular formulae, molecular formulae containing Sulfur License: Creative Commons Attribution 4.0 International (CC-BY-4.0) (URI: https://creativecommons.org/licenses/by/4.0/) Status: Curation Level: Enhanced curation (URI: https://wiki.pangaea.de/wiki/Curation_levels) Size: 156 data points */ Sample ID UAM [u] (FTMS peak intensity-weighted ...) PCA [%] (% relative to all molecular f...) Aromatics [%] (% relative to all molecular f...) Aromatics [%] (Highly unsaturated (% relativ...) AHC [%] (Unsaturated aliphatics (% rel...) H/C (FTMS peak intensity-weighted ...) O/C (FTMS peak intensity-weighted ...) Peak int Peak int CHO [%] (% relative to all molecular f...) N [%] (% relative to all molecular f...) S [%] (% relative to all molecular f...) ns1t0 311.7610623 1.645787276 9.899287644 36.91967576 26.30803242 1.527369543 0.282083522 0 0 27.19233604 34.586096780 38.98305085 ns2t0 290.1516559 1.688009313 11.292200230 43.16065192 30.61699651 1.484541347 0.278894366 0 0 30.29685681 23.632130380 46.65308498 ns3t0 295.1622061 2.053752535 12.373225150 46.06997972 28.60040568 1.467974543 0.282802231 0 0 28.01724138 25.126774850 49.97464503 ns1t1 257.8745620 3.413746017 18.798361400 42.92216659 26.90031862 1.377335377 0.284095737 0 0 35.00227583 12.471552120 52.25307237 ns2t1 264.1689825 3.703703704 20.388007050 45.99647266 22.11640212 1.359867006 0.293155154 0 0 29.52380952 22.186948850 54.85008818 ns3t1 268.9641088 4.028776978 20.719424460 46.94244604 23.12949640 1.351378311 0.293111083 0 0 30.86330935 16.546762590 57.05035971 ns1t2 245.7242057 5.882352941 23.447141090 45.08432744 22.41875771 1.327802183 0.291068029 0 0 30.85150144 8.268202386 61.99095023 ns2t2 256.2233191 7.075173721 24.510423250 46.55716993 18.91977258 1.300695586 0.286267434 0 0 26.08970310 21.699305120 62.19204043 ns3t2 249.9463065 6.263982103 25.167785230 45.41387025 20.39522744 1.344131988 0.286819655 0 0 30.05219985 13.385533180 62.08053691 nsdeadt0 297.0994423 1.873305398 12.077890070 47.67069263 28.09958097 1.448929021 0.285639295 0 0 31.82154301 25.338920380 44.83608578 nsdeadt1 284.4543769 1.264591440 10.408560310 42.26653696 36.67315175 1.490099538 0.256650779 0 0 37.93774319 12.451361870 49.36770428 nsdeadt3 263.6167421 1.606186794 11.838191550 45.92504462 37.23973825 1.520640938 0.175549967 0 0 37.53718025 6.305770375 53.36109459