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Rossel, Pamela E; Dittmar, Thorsten (2019): (Table S1) General information 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.908707

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Abstract:
Molecular analysis of dissolved organic matter in overlying bottom water and porewater was performed on a Solarix FT-ICR-MS equipped with a 15 Tesla superconducting magnet (Bruker Daltonic) using an electrospray ionization source (Bruker Apollo II) in negative ion mode. Molecular formula calculation for all samples was performed using a Matlab (2010) routine that searches, with an error of < 0.5 ppm, for all potential combinations of elements including the elements C∞, O∞, H∞, N ≤ 4; S ≤ 2 and P ≤ 1. Combination of elements NSP, N2S, N3S, N4S, N2P, N3P, N4P, NS2, N2S2, N3S2, N4S2, S2P was not allowed. Mass peak intensities are normalized relative to the total molecular formulas in each sample according to previously published rules (Rossel et al., 2015; doi:10.1016/j.marchem.2015.07.002). Additionally, the contribution of molecular formulas with different elemental composition (carbon = C; hydrogen = H; oxygen = O; nitrogen = N; sulfur = S; phosphorus = P) is expressed as a percentage of the total intensity in each sample. Furthermore, in this table,Molecular weight~wa~ was calculated considering the intensity of the mass peak in each sample (i.e. wa stands for intensity weighted-average).
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: 0.750 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 – -0.01 = bottom water
Depth, top/minDepth topmRossel, Pamela E
Depth, bottom/maxDepth botmRossel, Pamela E
Station labelStationRossel, Pamela E
10 Sample IDSample IDRossel, Pamela Epseudoreplicates samples
11 Number of molecular formulasFormulas#Rossel, Pamela ETotal numbers of molecular formulars
12 Molecular massMuRossel, Pamela EMass spectrometer Solarix FT-ICRcalculated considering the intensity of the mass peak in each sample
13 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHO
14 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHON
15 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHOS
16 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHOP
17 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHONS
18 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHOSP
19 Percentage of total formulaePerc total form%Rossel, Pamela EMass spectrometer Solarix FT-ICRCHONP
Size:
957 data points

Data

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


Event

Date/Time

Latitude

Longitude

Elevation [m]

Depth sed [m]
(-0.01 = bottom water)

Depth top [m]

Depth bot [m]

Station
10 
Sample ID
(pseudoreplicates samples)
11 
Formulas [#]
(Total numbers of molecular fo...)
12 
M [u]
(calculated considering the in...)
13 
Perc total form [%]
(CHO)
14 
Perc total form [%]
(CHON)
15 
Perc total form [%]
(CHOS)
16 
Perc total form [%]
(CHOP)
17 
Perc total form [%]
(CHONS)
18 
Perc total form [%]
(CHOSP)
19 
Perc total form [%]
(CHONP)
PS85/436-1 2014-06-17T14:3078.9733-5.2905-10560.0050.000.01EGI72731374.442.1047.707.202.300.300.300.10
PS85/436-12014-06-17T14:3078.9733-5.2905-10560.0300.010.05EGI8;92361383.847.3044.505.701.900.300.200.10
PS85/436-12014-06-17T14:3078.9733-5.2905-1056-0.010EGI5;62938378.542.2043.0011.702.300.500.200.10
PS85/441-1 2014-06-18T03:1878.9335-4.6503-15000.0050.000.01EGII131896333.953.2039.506.400.400.500.000.10
PS85/441-12014-06-18T03:1878.9335-4.6503-15000.0300.010.05EGII14;151457391.251.6042.203.901.900.000.300.10
PS85/441-12014-06-18T03:1878.9335-4.6503-15000.7500.050.10EGII161926381.348.3042.606.202.200.300.200.10
PS85/441-12014-06-18T03:1878.9335-4.6503-1500-0.010EGII11;122273389.146.5042.207.602.800.200.700.00
PS85/445-1 2014-06-19T02:0278.8032-3.8753-19440.0050.000.01EGIII20;251305355.360.6035.503.400.500.000.000.00
PS85/445-12014-06-19T02:0278.8032-3.8753-19440.0300.010.05EGIII21;26;272499385.147.0043.506.802.300.300.100.10
PS85/445-12014-06-19T02:0278.8032-3.8753-19440.7500.050.10EGIII22;28;291153381.059.2036.901.302.300.000.100.20
PS85/445-12014-06-19T02:0278.8032-3.8753-1944-0.010EGIII19;23;242093375.351.3042.903.701.900.100.100.00
PS85/454-3 2014-06-20T17:5978.5057-2.8177-25580.0050.000.01EGIV322390379.945.9040.5010.102.800.200.300.20
PS85/454-32014-06-20T17:5978.5057-2.8177-25580.0300.010.05EGIV33;342458387.845.9043.507.902.400.100.100.00
PS85/454-32014-06-20T17:5978.5057-2.8177-25580.7500.050.10EGIV35;362082387.549.3041.107.202.100.000.300.00
PS85/454-32014-06-20T17:5978.5057-2.8177-2558-0.010EGIV30;312671387.845.5041.609.402.800.100.400.10
PS85/454-4 2014-06-20T20:1678.5050-2.8422-2550-0.01037;38;39;402315396.347.0039.0010.203.000.200.600.00
PS85/454-5 2014-06-20T22:2878.5038-2.8248-2561-0.01041;42;443260380.840.6046.0010.402.300.300.000.40
PS85/465-4 2014-06-24T02:4879.15832.8828-55250.0050.000.01HGIX113;1142328355.146.4044.007.801.500.200.000.10
PS85/465-42014-06-24T02:4879.15832.8828-55250.0300.010.05HGIX115; 116;117;1182917365.541.7046.509.602.000.200.000.10
PS85/465-42014-06-24T02:4879.15832.8828-55250.7500.050.10HGIX119;1204075366.138.8048.709.901.700.700.000.00
PS85/465-42014-06-24T02:4879.15832.8828-5525-0.010HGIX109;110;111;1121191384.656.8036.404.502.100.100.100.00
PS85/464-1 2014-06-23T16:3179.05923.5728-35310.0050.000.01HGVI93;94;95997380.663.9032.702.201.200.000.000.00
PS85/464-12014-06-23T16:3179.05923.5728-35310.0300.010.05HGVI98;99;100;1011345384.053.6040.104.002.100.000.100.10
PS85/464-12014-06-23T16:3179.05923.5728-35310.7500.050.10HGVI102;103;104;1061116385.158.2038.501.701.300.000.100.20
PS85/464-12014-06-23T16:3179.05923.5728-3531-0.010HGVI90;91;922391387.746.0040.709.203.300.100.600.10
PS85/463-1 2014-06-23T13:5879.05233.6728-30340.0050.000.01HGV84;852488373.545.8043.808.501.600.100.100.10
PS85/463-12014-06-23T13:5879.05233.6728-30340.0300.010.05HGV86;873380379.442.8048.206.002.400.100.400.10
PS85/463-12014-06-23T13:5879.05233.6728-30340.7500.050.10HGV88;893139396.042.2046.208.902.000.000.500.10
PS85/463-12014-06-23T13:5879.05233.6728-3034-0.010HGV83;107;1081196384.755.2035.007.901.600.100.300.00
PS85/460-4 2014-06-22T18:4779.06524.1830-24030.0050.000.01HGIV51;581906361.250.2039.309.201.400.000.000.00
PS85/460-42014-06-22T18:4779.06524.1830-24030.0300.010.05HGIV52;53;593095378.643.1048.206.402.000.000.200.10
PS85/460-42014-06-22T18:4779.06524.1830-24030.7500.050.10HGIV54;611133369.357.2038.601.901.700.400.000.20
PS85/460-42014-06-22T18:4779.06524.1830-2403-0.010HGIV49;50;56;572134382.450.0041.206.102.400.000.200.00
PS85/473-3 2014-06-25T12:5179.76304.3347-25400.0050.000.01N4169;1752545373.844.7045.407.502.000.100.200.10
PS85/473-32014-06-25T12:5179.76304.3347-25400.0300.010.05N5170;176;1772019373.648.0043.306.402.100.000.000.00
PS85/473-32014-06-25T12:5179.76304.3347-25400.7500.050.10N61783092387.541.2048.507.402.300.100.400.10
PS85/473-32014-06-25T12:5179.76304.3347-2540-0.010N7173;1742291367.947.9043.906.401.700.100.000.00
PS85/468-1 2014-06-24T15:4379.10654.5850-19050.0050.000.01HGIII125;1262188363.144.9045.508.001.500.000.000.10
PS85/468-12014-06-24T15:4379.10654.5850-19050.0300.010.05HGIII127;128;1291012367.757.7038.802.600.700.000.000.20
PS85/468-12014-06-24T15:4379.10654.5850-19050.7500.050.10HGIII131;132;133;1341033381.858.5038.202.900.300.000.000.10
PS85/468-12014-06-24T15:4379.10654.5850-1905-0.010HGIII121;1222285388.847.4041.707.802.400.100.500.10
PS85/469-2 2014-06-24T19:1879.13224.9062-14920.0050.000.01HGII137;1441661361.749.9040.307.601.900.200.000.10
PS85/469-22014-06-24T19:1879.13224.9062-14920.0300.010.05HGII138;145;146444372.569.8020.309.900.000.000.000.00
PS85/469-22014-06-24T19:1879.13224.9062-14920.7500.050.10HGII141;1471968371.345.8047.204.402.000.200.300.20
PS85/469-22014-06-24T19:1879.13224.9062-1492-0.010HGII135;1362304390.646.1042.706.903.200.300.700.10
PS85/470-3 2014-06-24T23:3479.13356.1065-12440.0050.000.01HGI1553768365.738.9048.2010.102.200.500.100.00
PS85/470-32014-06-24T23:3479.13356.1065-12440.0300.010.05HGI151;1571059360.057.7039.901.400.800.000.000.10
PS85/470-32014-06-24T23:3479.13356.1065-12440.7500.050.10HGI153;158;1592192364.244.8049.204.201.600.000.100.10
PS85/470-32014-06-24T23:3479.13356.1065-1244-0.010HGI149;1542619375.645.9042.808.402.300.300.200.00
MSM29_432-2 2013-06-28T04:3579.71824.5643-27450.0050.000.01N4272890376.745.8043.509.001.200.400.000.10
MSM29_432-22013-06-28T04:3579.71824.5643-27450.0300.010.05N428;293263385.344.6045.508.601.000.300.000.00
MSM29_432-22013-06-28T04:3579.71824.5643-27450.7500.050.10N430;312682389.648.3043.906.900.600.200.000.00
MSM29_432-22013-06-28T04:3579.71824.5643-2745-0.010N425;262360381.250.0039.408.901.200.400.000.10
MSM29_450-2 2013-07-08T05:0578.91685.0050-25910.0050.000.01S150;513433386.440.8047.708.701.700.600.400.10
MSM29_450-22013-07-08T05:0578.91685.0050-25910.0300.010.05S152;534852405.237.6051.108.101.601.200.400.00
MSM29_450-22013-07-08T05:0578.91685.0050-25910.7500.050.10S154;553886398.540.8049.907.801.000.500.000.00
MSM29_450-22013-07-08T05:0578.91685.0050-2591-0.010S148;493621398.642.5042.8010.902.500.800.600.10
MSM29_443-2 2013-07-03T20:1078.77785.2597-24650.0050.000.01S242;433013389.843.2047.307.601.500.200.200.10
MSM29_443-22013-07-03T20:1078.77785.2597-24650.0300.010.05S244;454590404.338.3050.408.101.701.000.400.10
MSM29_443-22013-07-03T20:1078.77785.2597-24650.7500.050.10S246;474038400.440.2049.607.501.700.600.400.00
MSM29_443-22013-07-03T20:1078.77785.2597-2465-0.010S2403520397.342.7041.8011.402.500.900.500.10
MSM29_439-3 2013-07-01T08:0978.62005.0168-23190.0050.000.01S334;352984377.444.6044.0010.101.000.200.000.00
MSM29_439-32013-07-01T08:0978.62005.0168-23190.0300.010.05S336;374705401.737.4051.607.901.800.900.200.10
MSM29_439-32013-07-01T08:0978.62005.0168-23190.7500.050.10S338;392722401.845.9046.105.502.200.200.100.10
MSM29_439-32013-07-01T08:0978.62005.0168-2319-0.010S332;332925386.947.6040.0010.202.000.200.000.00
MSM29_424-3 2013-06-26T01:1179.13234.9115-15060.0050.000.01HGII3;44181367.437.0050.3010.401.400.500.000.40
MSM29_424-32013-06-26T01:1179.13234.9115-15060.0300.010.05HGII5;63005374.742.7048.506.701.900.200.100.10
MSM29_424-32013-06-26T01:1179.13234.9115-15060.7500.050.10HGII7;82902363.143.5049.105.601.700.100.000.10
MSM29_424-32013-06-26T01:1179.13234.9115-1506-0.010HGII1;23260374.742.2042.8012.901.500.500.000.10
MSM29_427-2 2013-06-27T01:0279.03007.0035-12810.0050.000.01KH19;202533359.145.2046.407.900.400.100.000.00
MSM29_427-22013-06-27T01:0279.03007.0035-12810.0300.010.05KH21;224352377.638.0051.309.400.600.700.000.00
MSM29_427-22013-06-27T01:0279.03007.0035-12810.7500.050.10KH23;244784378.736.2051.7010.500.401.100.000.00
MSM29_427-22013-06-27T01:0279.03007.0035-1281-0.010KH17;182527375.147.6040.0011.000.700.600.000.00
MSM29_425-3 2013-06-26T07:1079.13336.0925-12540.0050.000.01HGI11;123995371.437.1050.8010.201.300.300.000.20
MSM29_425-32013-06-26T07:1079.13336.0925-12540.0300.010.05HGI13;145084387.934.9053.609.101.301.100.000.00
MSM29_425-32013-06-26T07:1079.13336.0925-12540.7500.050.10HGI15;165738385.534.6053.908.701.401.300.000.10
MSM29_425-32013-06-26T07:1079.13336.0925-1254-0.010HGI9;101676356.056.9034.606.801.400.200.000.00