(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

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...

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Bibliographic Details
Main Authors: Rossel, Pamela E, Dittmar, Thorsten
Format: Dataset
Language:English
Published: PANGAEA - Data Publisher for Earth & Environmental Science 2019
Subjects:
Arctic Ocean
deep sea sediment
dissolved organic matter
Fourier-transform ion cyclotron mass spectrometry
Fram Strait
porewater
Event label
Date/Time of event
Latitude of event
Longitude of event
Elevation of event
DEPTH, sediment/rock
Depth, top/min
Depth, bottom/max
Station label
Sample ID
Number of molecular formulas
Molecular mass
Percentage of total formulae
Multicorer with television
MultiCorer
Light frame on-sight keyspecies investigation
Mass spectrometer Solarix FT-ICR
MSM29
PS85
Maria S. Merian
Polarstern
Assessment of bacterial life and matter cycling in deep-sea surface sediments ABYSS
Arctic
Rossel
Online Access:https://dx.doi.org/10.1594/pangaea.908707
https://doi.pangaea.de/10.1594/PANGAEA.908707
Description
Summary: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).

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