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Rossel, Pamela E; Dittmar, Thorsten (2019): (Table S2) Contribution of formulas and elemental ratios of solid phase extracted dissolved organic matter from porewater and overlying bottom water collected during Maria S. Merian cruise MSM29 and Polarstern cruise PS85 to the Fram Strait [dataset]. Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven, PANGAEA, https://doi.org/10.1594/PANGAEA.908706

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Abstract:
Contribution of different molecular categories, H/Cwa and O/Cwa elemental ratios, aromaticity index (Aimodwa) and double bond equivalents (DBEwa) and indices of degradation (Ideg) and lability (MLBwl; Ibioprod). The contribution of each molecular category is expressed as a percentage of the total formulas in each sample obtained after normalization. Molecular formulas were additionally associated with different molecular categories because less than 6% of the DOM has been identified on a molecular level. Molecular categories are defined as follow: 1) condensed aromatics, with an AImod ≥ 0.67 (Koch and Dittmar, 2006, doi:10.1002/rcm.2386) was separated in 3 different subgroups, either <15 (condensed aromatics <15C), or ≥15 (condensed aromatics ≥15C) C atoms both without heteroatoms, or containing heteroelements (condensed aromatics-CHOx); 2) polyphenols, with an AImod >0.5 but <0.67; 3) highly unsaturated formulas, with an AImod <0.5, H/C <1.5; 4) formulas of unsaturated aliphatics, with an 1.5< H/C <2, O/C <0.9, N = 0; 5) saturated fatty acids, with an H/C >2, O/C <0.9 and with either no heteroatoms (sat. fatty acids) or with heteroatoms (sat. fatty acids-CHOx); 6) formulas of sugars, with an O/C >0.9 and with either no (sugars) or with heteroatoms (sugars-CHOx) and 7)unsaturated with N (unsaturated-N) molecular formulas, with 1.5 < H/C <2, O/C < 0.9 and N >0. Additionally, polyphenols, highly unsaturated and unsaturated aliphatics were further separated in oxygen rich (-O-rich) and oxygen poor (-O-poor) if the element ratio O/C was > 0.5 or < 0.5 respectively.
Keyword(s):
Arctic Ocean; deep sea sediment; Dissolved Organic Matter; Fourier-transform ion cyclotron mass spectrometry; Fram Strait; porewater
Supplement to:
Rossel, Pamela E; Bienhold, Christina; Hehemann, Laura; Dittmar, Thorsten; Boetius, Antje (2020): Molecular Composition of Dissolved Organic Matter in Sediment Porewater of the Arctic Deep-Sea Observatory HAUSGARTEN (Fram Strait). Frontiers in Marine Science, 7, 428, https://doi.org/10.3389/fmars.2020.00428
Funding:
Seventh Framework Programme (FP7), grant/award no. 294757: Assessment of bacterial life and matter cycling in deep-sea surface sediments
Coverage:
Median Latitude: 79.011596 * Median Longitude: 2.944263 * South-bound Latitude: 78.503830 * West-bound Longitude: -5.290500 * North-bound Latitude: 79.763000 * East-bound Longitude: 7.003500
Date/Time Start: 2013-06-26T01:11:00 * Date/Time End: 2014-06-25T12:51:00
Minimum DEPTH, sediment/rock: -0.010 m * Maximum DEPTH, sediment/rock: 0.075 m
Event(s):
MSM29_424-3 (HG_II)  * Latitude Start: 79.132330 * Longitude Start: 4.911500 * Latitude End: 79.132000 * Longitude End: 4.912000 * Date/Time Start: 2013-06-26T01:11:00 * Date/Time End: 2013-06-26T02:19:59 * Elevation Start: -1506.3 m * Elevation End: -1506.3 m * Location: North Greenland Sea * Campaign: MSM29 (HAUSGARTEN 2013) * Basis: Maria S. Merian * Method/Device: Multicorer with television (TVMUC) * Comment: rope length max. 1485m / FR2
MSM29_425-3 (HG_I)  * Latitude: 79.133330 * Longitude: 6.092500 * Date/Time: 2013-06-26T07:10:00 * Elevation: -1253.8 m * Location: North Greenland Sea * Campaign: MSM29 (HAUSGARTEN 2013) * Basis: Maria S. Merian * Method/Device: MultiCorer (MUC) * Comment: rope length max. 1240m / FR2/2
MSM29_427-2 (KH)  * Latitude Start: 79.030000 * Longitude Start: 7.003500 * Latitude End: 79.030170 * Longitude End: 7.002670 * Date/Time Start: 2013-06-27T01:02:00 * Date/Time End: 2013-06-27T01:58:59 * Elevation Start: -1280.8 m * Elevation End: -1279.4 m * Location: North Greenland Sea * Campaign: MSM29 (HAUSGARTEN 2013) * Basis: Maria S. Merian * Method/Device: Multicorer with television (TVMUC) * Comment: rope length max. 1265m / FR2
Parameter(s):
#NameShort NameUnitPrincipal InvestigatorMethod/DeviceComment
Event labelEventRossel, Pamela E
Date/Time of eventDate/TimeRossel, Pamela E
Latitude of eventLatitudeRossel, Pamela E
Longitude of eventLongitudeRossel, Pamela E
Elevation of eventElevationmRossel, Pamela E
DEPTH, sediment/rockDepth sedmRossel, Pamela EGeocode
Depth, top/minDepth topmRossel, Pamela E
Depth, bottom/maxDepth botmRossel, Pamela E
Station labelStationRossel, Pamela E
10 Sample IDSample IDRossel, Pamela Epseudoreplicates samples
11 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCondensed aromatics <15C
12 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCondensed aromatics ≥15C
13 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCondensed aromatics CHOx
14 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRPolyphenols O rich
15 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRPolyphenols O poor
16 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRHighly unsaturated O rich
17 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRHighly unsaturated O poor
18 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRUnsaturated aliphatic O rich
19 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRUnsaturated aliphatic O poor
20 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRSugars
21 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRSugars-CHOX
22 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRUnsaturated with N
23 Carboxyl-rich alicyclic formulasCRAM%Rossel, Pamela E
24 RatioRatioRossel, Pamela EH/Cwa
25 RatioRatioRossel, Pamela EO/Cwa
26 Aromaticity indexAIRossel, Pamela Emodwa
27 Double bond equivalentDBERossel, Pamela Ewa
28 Degradation indexDIRossel, Pamela E
29 Molecular lability boundaryMLBRossel, Pamela E
30 Biological production indexIbioprodRossel, Pamela E
Size:
1804 data points

Data

Download dataset as tab-delimited text — use the following character encoding:


Event

Date/Time

Latitude

Longitude

Elevation [m]

Depth sed [m]

Depth top [m]

Depth bot [m]

Station
10 
Sample ID
(pseudoreplicates samples)
11 
Perc total form [%]
(Condensed aromatics <15C)
12 
Perc total form [%]
(Condensed aromatics ≥15C)
13 
Perc total form [%]
(Condensed aromatics CHOx)
14 
Perc total form [%]
(Polyphenols O rich)
15 
Perc total form [%]
(Polyphenols O poor)
16 
Perc total form [%]
(Highly unsaturated O rich)
17 
Perc total form [%]
(Highly unsaturated O poor)
18 
Perc total form [%]
(Unsaturated aliphatic O rich)
19 
Perc total form [%]
(Unsaturated aliphatic O poor)
20 
Perc total form [%]
(Sugars)
21 
Perc total form [%]
(Sugars-CHOX)
22 
Perc total form [%]
(Unsaturated with N)
23 
CRAM [%]
24 
Ratio
(H/Cwa)
25 
Ratio
(O/Cwa)
26 
AI
(modwa)
27 
DBE
(wa)
28 
DI
29 
MLB
30 
Ibioprod
PS85/436-1 2014-06-17T14:3078.9733-5.2905-10560.0050.000.01EGI70.110.000.660.186.1521.8247.601.619.340.000.0012.5253.611.350.420.217.230.709.840.350
PS85/436-12014-06-17T14:3078.9733-5.2905-10560.0300.010.05EGI8;90.210.000.250.086.6519.7454.931.619.610.000.006.9058.071.300.430.247.790.773.770.320
PS85/436-12014-06-17T14:3078.9733-5.2905-1056-0.010EGI5;60.200.000.140.147.5620.3949.763.1310.520.000.008.1752.421.320.430.227.490.635.790.370
PS85/441-1 2014-06-18T03:1878.9335-4.6503-15000.0050.000.01EGII130.370.000.050.218.9110.0755.331.9014.720.000.268.1852.161.380.370.236.550.4811.550.700
PS85/441-12014-06-18T03:1878.9335-4.6503-15000.0300.010.05EGII14;150.000.003.430.002.8825.1255.251.038.030.000.004.2665.001.270.450.248.110.772.050.290
PS85/441-12014-06-18T03:1878.9335-4.6503-15000.0750.050.10EGII160.100.003.270.005.1917.3956.181.309.760.000.006.8057.221.290.410.257.880.784.370.310
PS85/441-12014-06-18T03:1878.9335-4.6503-1500-0.010EGII11;120.040.003.520.045.5922.3953.372.079.150.000.003.8357.551.270.440.248.030.662.330.330
PS85/445-1 2014-06-19T02:0278.8032-3.8753-19440.0050.000.01EGIII20;250.230.000.150.157.4313.6461.071.2312.490.000.003.6058.851.300.410.257.320.643.690.450
PS85/445-12014-06-19T02:0278.8032-3.8753-19440.0300.010.05EGIII21;26;270.120.000.000.086.6420.0954.701.5210.120.000.006.7257.141.300.430.237.780.763.860.310
PS85/445-12014-06-19T02:0278.8032-3.8753-19440.0750.050.10EGIII22;28;290.000.000.170.001.6520.9963.050.959.630.000.003.5671.291.290.440.247.760.782.520.340
PS85/445-12014-06-19T02:0278.8032-3.8753-1944-0.010EGIII19;23;240.100.000.000.196.9819.8857.721.829.320.000.004.0160.871.280.440.247.700.622.230.400
PS85/454-3 2014-06-20T17:5978.5057-2.8177-25580.0050.000.01EGIV320.170.040.380.295.7328.1247.452.649.410.000.005.7756.571.280.460.237.700.673.630.380
PS85/454-32014-06-20T17:5978.5057-2.8177-25580.0300.010.05EGIV33;340.280.000.370.378.5425.5151.221.838.300.000.003.5859.641.310.440.227.730.724.140.330
PS85/454-32014-06-20T17:5978.5057-2.8177-25580.0750.050.10EGIV35;360.050.001.150.058.2120.4156.531.158.840.000.003.6059.941.270.430.258.090.812.210.310
PS85/454-32014-06-20T17:5978.5057-2.8177-2558-0.010EGIV30;310.110.000.220.198.3524.9351.442.068.540.000.004.1656.801.270.450.247.960.672.030.350
PS85/454-4 2014-06-20T20:1678.5050-2.8422-2550-0.01037;38;39;400.000.000.040.097.0827.9053.091.947.820.000.002.0360.781.260.460.248.130.711.300.330
PS85/454-5 2014-06-20T22:2878.5038-2.8248-2561-0.01041;42;440.030.030.210.497.5824.4546.752.5210.000.000.037.9155.181.290.440.237.840.674.840.380
PS85/465-4 2014-06-24T02:4879.15832.8828-55250.0050.000.01HGIX113;1140.300.000.560.3010.3118.4350.092.159.660.000.008.2052.021.320.410.247.200.586.550.470
PS85/465-42014-06-24T02:4879.15832.8828-55250.0300.010.05HGIX115; 116;117;1180.510.342.230.4813.2017.6952.551.616.990.000.004.3954.471.260.410.277.880.612.580.440
PS85/465-42014-06-24T02:4879.15832.8828-55250.0750.050.10HGIX119;1200.660.692.430.8613.0616.5949.602.067.730.000.006.3351.581.250.410.277.990.533.400.590
PS85/465-42014-06-24T02:4879.15832.8828-5525-0.010HGIX109;110;111;1120.000.004.030.003.9521.2459.191.268.230.000.002.1064.991.270.450.257.970.671.380.340
PS85/464-1 2014-06-23T16:3179.05923.5728-35310.0050.000.01HGVI93;94;950.000.001.100.001.4031.2957.071.406.520.000.001.2071.511.270.470.247.760.650.960.390
PS85/464-12014-06-23T16:3179.05923.5728-35310.0300.010.05HGVI98;99;100;1010.000.002.750.006.1019.2662.680.746.540.000.001.9366.841.250.430.278.240.781.000.320
PS85/464-12014-06-23T16:3179.05923.5728-35310.0750.050.10HGVI102;103;104;1060.000.001.880.004.4820.7963.350.366.450.000.002.6969.981.250.440.268.180.821.170.320
PS85/464-12014-06-23T16:3179.05923.5728-3531-0.010HGVI90;91;920.000.000.920.136.7824.3453.242.178.410.000.043.9758.131.280.450.247.940.661.990.340
PS85/463-1 2014-06-23T13:5879.05233.6728-30340.0050.000.01HGV84;850.400.040.560.249.6921.7850.561.978.520.000.006.2355.671.290.430.247.670.683.710.380
PS85/463-12014-06-23T13:5879.05233.6728-30340.0300.010.05HGV86;870.500.442.130.6512.6920.2748.701.577.780.000.005.2752.781.260.430.268.030.732.820.330
PS85/463-12014-06-23T13:5879.05233.6728-30340.0750.050.10HGV88;890.350.351.980.6113.6724.5949.351.185.350.000.002.5857.151.220.450.278.660.800.930.300
PS85/463-12014-06-23T13:5879.05233.6728-3034-0.010HGV83;107;1080.000.003.430.005.9425.2554.351.177.530.000.002.3463.711.260.450.258.020.671.450.340
PS85/460-4 2014-06-22T18:4779.06524.1830-24030.0050.000.01HGIV51;580.370.000.100.218.0323.9853.043.258.550.000.002.4759.861.260.440.267.550.642.350.410
PS85/460-42014-06-22T18:4779.06524.1830-24030.0300.010.05HGIV52;53;590.610.101.910.8710.6923.2648.561.747.850.000.004.3953.761.260.440.267.950.732.410.350
PS85/460-42014-06-22T18:4779.06524.1830-24030.0750.050.10HGIV54;610.000.002.910.005.3814.1261.170.539.710.000.006.1862.141.280.410.267.760.764.150.360
PS85/460-42014-06-22T18:4779.06524.1830-2403-0.010HGIV49;50;56;570.000.000.000.197.0324.9355.251.788.250.000.002.5861.291.270.450.247.860.661.670.360
PS85/473-3 2014-06-25T12:5179.76304.3347-25400.0050.000.01N4169;1750.390.040.510.599.2724.9548.492.367.940.000.005.4655.801.270.450.247.730.662.910.400
PS85/473-32014-06-25T12:5179.76304.3347-25400.0300.010.05N5170;176;1770.000.000.690.258.9223.2853.051.398.170.000.004.2659.981.280.430.267.830.703.060.380
PS85/473-32014-06-25T12:5179.76304.3347-25400.0750.050.10N61780.160.062.780.3611.2921.7048.251.267.660.000.036.4453.101.270.430.268.150.793.330.310
PS85/473-32014-06-25T12:5179.76304.3347-2540-0.010N7173;1740.220.000.000.177.8623.4853.161.758.160.000.005.1958.751.310.430.237.420.583.530.450
PS85/468-1 2014-06-24T15:4379.10654.5850-19050.0050.000.01HGIII125;1260.140.001.101.0110.4724.9148.812.387.080.000.004.1158.231.260.440.267.660.632.460.440
PS85/468-12014-06-24T15:4379.10654.5850-19050.0300.010.05HGIII127;128;1290.000.001.280.104.5525.8956.921.286.720.000.003.2668.281.270.450.267.680.642.050.390
PS85/468-12014-06-24T15:4379.10654.5850-19050.0750.050.10HGIII131;132;133;1340.000.000.770.005.0329.6257.991.164.550.000.000.8771.641.250.470.257.990.700.510.370
PS85/468-12014-06-24T15:4379.10654.5850-1905-0.010HGIII121;1220.040.000.040.135.3029.9850.631.797.610.000.004.4660.661.270.460.237.930.681.870.350
PS85/469-2 2014-06-24T19:1879.13224.9062-14920.0050.000.01HGII137;1440.300.060.600.4810.6621.7352.022.058.070.000.004.0360.081.280.430.257.610.623.000.440
PS85/469-22014-06-24T19:1879.13224.9062-14920.0300.010.05HGII138;145;1460.000.000.900.008.7820.9561.710.685.860.000.001.1368.691.230.430.288.230.660.890.370
PS85/469-22014-06-24T19:1879.13224.9062-14920.0750.050.10HGII141;1470.000.053.000.308.5922.5150.411.427.720.000.006.0058.891.270.440.267.820.663.590.400
PS85/469-22014-06-24T19:1879.13224.9062-1492-0.010HGII135;1360.090.042.390.225.8629.2548.481.877.070.000.004.7357.991.270.470.248.030.681.830.340
PS85/470-3 2014-06-24T23:3479.13356.1065-12440.0050.000.01HGI1550.740.132.181.3010.1625.9040.423.808.940.000.006.4248.731.270.450.247.570.614.450.440
PS85/470-32014-06-24T23:3479.13356.1065-12440.0300.010.05HGI151;1570.000.093.400.005.3820.9654.391.519.350.000.004.9161.191.270.430.267.580.594.050.420
PS85/470-32014-06-24T23:3479.13356.1065-12440.0750.050.10HGI153;158;1590.090.053.240.9110.6322.0348.361.607.440.000.005.6655.431.260.430.277.790.613.620.460
PS85/470-32014-06-24T23:3479.13356.1065-1244-0.010HGI149;1540.190.040.420.237.8722.7250.941.999.130.000.006.4954.751.300.430.237.570.634.040.390
MSM29_432-2 2013-06-28T04:3579.71824.5643-27450.0050.000.01N4270.480.030.520.695.7127.8543.843.2511.000.000.006.6153.431.300.460.237.520.715.470.330
MSM29_432-22013-06-28T04:3579.71824.5643-27450.0300.010.05N428;290.460.121.010.707.7527.1246.282.279.350.000.064.8754.861.290.450.237.810.773.960.310
MSM29_432-22013-06-28T04:3579.71824.5643-27450.0750.050.10N430;310.560.110.410.487.9428.6448.881.428.500.000.003.0659.061.260.460.258.070.802.180.290
MSM29_432-22013-06-28T04:3579.71824.5643-2745-0.010N425;260.210.000.040.253.7327.4247.542.6711.860.000.006.2756.441.300.460.227.580.694.760.320
MSM29_450-2 2013-07-08T05:0578.91685.0050-25910.0050.000.01S150;510.410.060.610.767.4927.6142.382.518.620.030.009.5351.671.310.450.227.680.725.980.340
MSM29_450-22013-07-08T05:0578.91685.0050-25910.0300.010.05S152;530.520.392.231.3610.9628.8142.271.756.270.020.025.4052.001.250.460.258.480.812.140.280
MSM29_450-22013-07-08T05:0578.91685.0050-25910.0750.050.10S154;550.510.331.440.9811.1726.5846.551.346.430.000.004.6654.661.250.450.268.410.821.910.280
MSM29_450-22013-07-08T05:0578.91685.0050-2591-0.010S148;490.300.080.080.447.1328.1144.083.0410.110.000.036.6052.171.290.460.237.980.724.340.330
MSM29_443-2 2013-07-03T20:1078.77785.2597-24650.0050.000.01S242;430.500.100.530.736.9028.6844.972.268.030.000.007.3054.601.290.460.237.810.734.130.330
MSM29_443-22013-07-03T20:1078.77785.2597-24650.0300.010.05S244;450.520.332.091.3710.6128.6142.462.036.430.020.005.5352.241.250.460.258.430.802.350.290
MSM29_443-22013-07-03T20:1078.77785.2597-24650.0750.050.10S246;470.520.421.210.7411.3925.3846.781.366.980.000.055.1554.231.250.450.258.420.842.450.280
MSM29_443-22013-07-03T20:1078.77785.2597-2465-0.010S2400.260.090.140.407.3329.2345.402.989.430.000.004.7453.491.270.470.238.090.722.690.320
MSM29_439-3 2013-07-01T08:0978.62005.0168-23190.0050.000.01S334;350.570.100.941.017.9828.9944.273.658.750.030.003.7254.091.280.470.237.640.693.510.330
MSM29_439-32013-07-01T08:0978.62005.0168-23190.0300.010.05S336;370.530.282.741.579.9329.5641.082.156.760.020.005.3851.481.240.470.258.470.801.960.300
MSM29_439-32013-07-01T08:0978.62005.0168-23190.0750.050.10S338;390.220.070.550.448.9326.3450.701.077.750.000.073.8659.661.250.460.258.430.851.560.260
MSM29_439-32013-07-01T08:0978.62005.0168-2319-0.010S332;330.380.030.000.414.9927.0847.153.7311.730.000.004.5154.771.310.460.227.610.695.020.330
MSM29_424-3 2013-06-26T01:1179.13234.9115-15060.0050.000.01HGII3;40.380.101.320.986.1526.4538.014.4510.190.050.1711.7748.271.340.460.217.090.6610.660.410
MSM29_424-32013-06-26T01:1179.13234.9115-15060.0300.010.05HGII5;60.300.072.001.008.3922.9343.962.4310.150.000.108.6952.251.290.450.247.660.735.620.340
MSM29_424-32013-06-26T01:1179.13234.9115-15060.0750.050.10HGII7;80.310.032.620.698.2422.1944.212.2110.230.000.079.2052.651.330.420.237.270.708.630.410
MSM29_424-32013-06-26T01:1179.13234.9115-1506-0.010HGII1;20.120.030.030.253.6225.0640.744.4814.480.000.0911.1050.341.390.440.186.810.6615.390.390
MSM29_427-2 2013-06-27T01:0279.03007.0035-12810.0050.000.01KH19;200.430.080.790.836.2027.2440.113.8311.490.000.048.9653.411.340.460.216.960.679.220.380
MSM29_427-22013-06-27T01:0279.03007.0035-12810.0300.010.05KH21;220.530.112.501.758.1827.0539.552.789.470.020.008.0750.831.310.450.227.490.757.470.350
MSM29_427-22013-06-27T01:0279.03007.0035-12810.0750.050.10KH23;240.420.171.881.768.6727.3238.172.849.070.000.069.6449.731.310.460.227.540.737.720.400
MSM29_427-22013-06-27T01:0279.03007.0035-1281-0.010KH17;180.040.000.000.243.0927.3844.244.3112.230.000.288.1955.281.340.460.207.150.688.510.350
MSM29_425-3 2013-06-26T07:1079.13336.0925-12540.0050.000.01HGI11;120.450.081.231.146.5726.7538.514.548.680.020.1811.8550.181.360.480.207.010.6810.970.390
MSM29_425-32013-06-26T07:1079.13336.0925-12540.0300.010.05HGI13;140.570.142.762.089.0429.5937.263.756.680.050.147.9349.511.310.460.227.660.686.490.390
MSM29_425-32013-06-26T07:1079.13336.0925-12540.0750.050.10HGI15;160.540.242.401.778.9327.1339.523.247.260.010.118.8550.321.280.470.247.910.694.810.410
MSM29_425-32013-06-26T07:1079.13336.0925-1254-0.010HGI9;100.060.002.690.003.2317.9949.443.8616.160.000.386.1854.731.370.410.226.850.6012.340.430