http://lod.bco-dmo.org/id/dataset/938799
eng; USA
utf8
dataset
Highest level of data collection, from a common set of sensors or instrumentation, usually within the same research project
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
2024-09-25
ISO 19115-2 Geographic Information - Metadata - Part 2: Extensions for Imagery and Gridded Data
ISO 19115-2:2009(E)
FT-ICR MS data from exudation experiments in outdoor tanks with Sargassum samples collected off the coast of Bermuda and in the Sargasso Sea in 2016
2024-09-25
publication
2024-09-25
revision
BCO-DMO Linked Data URI
2024-09-25
creation
http://lod.bco-dmo.org/id/dataset/938799
Michael Gonsior
University of Maryland Center for Environmental Science
principalInvestigator
Neil V. Blough
University of Maryland - College Park
principalInvestigator
Rossana Del Vecchio
University of Maryland - College Park
principalInvestigator
Leanne Powers
University of Maryland Center for Environmental Science
principalInvestigator
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
publisher
Cite this dataset as: Gonsior, M., Blough, N. V., Del Vecchio, R., Powers, L. (2024) FT-ICR MS data from exudation experiments in outdoor tanks with Sargassum samples collected off the coast of Bermuda and in the Sargasso Sea in 2016. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2024-09-25 [if applicable, indicate subset used]. http://lod.bco-dmo.org/id/dataset/938799 [access date]
Dataset Description: <p>See "Related Datasets" section for other datasets from these Sargassum exudation experiments.<em>&nbsp;</em><br />
<br />
SPE-DOM = Solid-Phase Extracted Dissolved Organic Matter&nbsp;<br />
FT-ICR MS = Fourier transform ion cyclotron resonance mass spectrometry</p> Methods and Sampling: <p><em>Sargassum </em>(urn:lsid:marinespecies.org:taxname:144132)&nbsp;was collected during two sampling events in July and in late September/early October 2016, described in detail in a previous study (Powers et al., 2019, Global Biogeochemical Sciences (GBC), <em>33</em>(11), 1423-1439). Briefly, samples were collected in July 2016 aboard the R/V <em>Hugh R. Sharp in</em> the Sargasso Sea, and were housed onboard in a tank (&lt; 3 days) with continuously flowing seawater before it was transported to the Chesapeake Biological Laboratory (CBL) for exudation experiments. <strong>These are exudation experiments are referred to as CBL exudation experiments.</strong> <em>Sargassum</em> samples collected in early fall 2016 aboard the R/V <em>Henry Stommel</em>, 9 km off the coast of Bermuda, were used in outdoor exudation experiments. <strong>These exudation experiments are referred to as BDA exudation experiments.&nbsp;</strong></p>
<p><strong>Solid phase extraction (SPE).</strong> At the end of all incubation experiments that typically lasted 24 to 48 h, tank water housing <em>Sargassum</em> was filtered through pre-combusted Whatman 0.7 µm GF/F glass fiber filters, acidified to pH 2 using concentrated HCl and solid-phase extracted using Agilent Bond Elut PPL cartridges. Our solid phase extraction (SPE) technique utilized 10 g custom-packed cartridges that were activated with ultrapure methanol and rinsed with ultrapure 0.1% formic acid water prior to extraction. After extraction, cartridges were rinsed with 0.1% formic acid water and dried. SPE-DOM was eluted in 30 mL ultrapure MeOH and these methanolic extracts were stored at -20 °C until FT-ICR MS analysis.</p>
<p><strong>FT-ICR MS.</strong> Mass spectrometric analyses were undertaken at the Helmholtz Zentrum, Munich, Germany using a Bruker Solarix 12 Tesla Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) using both negative and positive electrospray ionization at 3600 V. The flow rate was 120 µL/h, 500 spectra were averaged resulting in a resolution &gt;500,000 at <em>m/z</em> 400 and mass error &lt;0.2 ppm. Calibration was performed with arginine clusters and spectra were post-calibrated using known DOM <em>m/z</em> ions across the <em>m/z</em> range of 200-700. The following chemical elements were used to compute exact molecular formulae using proprietary software: <sup>12</sup>C<sub>1-∞</sub>, <sup>1</sup>H<sub>1-∞</sub>, <sup>16</sup>O<sub>1-∞</sub>, <sup>14</sup>N<sub>0-5</sub> and <sup>32</sup>S<sub>0-2</sub>, and <sup>79/81</sup>Br<sub>0-2</sub>. All formula assignments containing Br were confirmed manually using isotope simulation in the Bruker Data Analysis software, to confirm the presence of the <sup>81</sup>Br isotope at ~50% natural abundance.&nbsp;</p>
Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1536888 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1536888
Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1536927 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1536927
onGoing
Michael Gonsior
University of Maryland Center for Environmental Science
410-326-7245
146 Williams Street
Solomons
MD
20688-3204
USA
gonsior.michael@gmail.com
pointOfContact
Neil V. Blough
University of Maryland - College Park
301-405-0051
Chemistry Bldg 8051 Regents Dr
College Park
MD
20742
USA
neilb@umd.edu
pointOfContact
Rossana Del Vecchio
University of Maryland - College Park
240-502-5381
5825 University Research Ct
College Park
MD
20740
USA
rossdv@umd.edu
pointOfContact
Leanne Powers
University of Maryland Center for Environmental Science
315-470-6854
lcpowers@esf.edu
pointOfContact
asNeeded
Dataset Version: 1
Unknown
Ion_Mode
ExpMass
Intensity
HIon
Hneutral
C
O
N
S
Br
Neutral_Mass
Actual_Mass
Mass_Error
Bruker Solarix 12 Tesla Fourier transform (FT) ion cyclotron resonance (ICR) mass spectrometer located at the Helmholtz Zentrum, Munich, Germany.
theme
None, User defined
sample description
mass
Intensity (relative ion abundance)
hydrogen
Elemental carbon (C)
Monoatomic oxygen (O)
Nitrogen
Sulfur (S)
bromides
No BCO-DMO term
featureType
BCO-DMO Standard Parameters
Fourier Transform Ion Cyclotron Resonance Mass Spectrometer
instrument
BCO-DMO Standard Instruments
HRS1608
service
Deployment Activity
MidAtlantic
place
Locations
otherRestrictions
otherRestrictions
Access Constraints: none. Use Constraints: Please follow guidelines at: http://www.bco-dmo.org/terms-use Distribution liability: Under no circumstances shall BCO-DMO be liable for any direct, incidental, special, consequential, indirect, or punitive damages that result from the use of, or the inability to use, the materials in this data submission. If you are dissatisfied with any materials in this data submission your sole and exclusive remedy is to discontinue use.
Collaborative Research: Phlorotannins - An Important Source of Marine Chromophoric Dissolved Organic Matter?
https://osprey.bco-dmo.org/project/814753
Collaborative Research: Phlorotannins - An Important Source of Marine Chromophoric Dissolved Organic Matter?
<p>NSF Award Abstract:</p>
<p>Chromophoric dissolved organic matter (CDOM), the sunlight absorbing components in filtered water, is important in the study of marine and freshwater ecosystems as it can be used to trace the mixing of surface waters, as a proxy for carbon cycles, and other biogeochemical processes. Although its importance in ocean studies has been firmly established over the last several decades, sources and structural composition of CDOM within the oceans remains unclear and continues to be a subject of debate. Sargassum, a brown alga, is widely distributed in temperate and subtropical marine waters and may be important source of CDOM to the Sargasso Sea and Gulf of Mexico where Sargassum is abundant. This project will investigate the contribution of macro brown algae-derived compounds to the marine CDOM pool. Results from this study will have implications for the marine carbon cycle and satellite remote sensing of ocean color to assess mixing of surface water masses and biogeochemical processes. The project will provide educational opportunities for a postdoctoral scholar, summertime undergraduate internships (through a local NSF-sponsored Research Experiences for Undergraduates (REU) program), and workshop and research opportunities for local high schools students.</p>
<p>Sources of marine CDOM remain debatable and a comprehensive understanding of its origins, distribution and fate have been difficult. Marine CDOM, and in particular the "humic-like" component, have been suggested to originate from terrestrial sources, primarily lignins. However, recent evidence indicates that the exudation of phlorotannins produced by macro brown algae may contribute significantly to the marine CDOM pool. Phlorotannins, a class of polyphenols that are only found in, and continuously exuded by macro brown algae such as Sargassum, strongly absorb ultraviolet light and may have been underestimated in their contribution to the marine CDOM pool within certain geographic locales. Upon partial oxidation, light absorption by these specific compounds extends into longer wavelengths in the visible creating an absorption spectrum similar to that of lignin. These phlorotannins and their transformation products absorb light that might explain in part the "humic-like" signatures observed in open ocean environments. This study aims to characterize the optical properties and molecular composition of Sargassum-derived CDOM including its aerobic oxidation and photochemical behavior, as well as quantify Sargassum-derived CDOM to better estimate its possible contribution to the CDOM pool in the Sargasso Sea and Gulf of Mexico.</p>
Sargassum DOM
largerWorkCitation
project
eng; USA
oceans
MidAtlantic
2016-06-01
2016-09-01
Mid-Atlantic Bight (July 2016), Sargasso Sea (July and September 2016), Coastal Bermuda (September/October 2016) and Coastal Puerto Rico (Laguna Grande, Fajardo; Las Croabas, Fajardo; Salinas; May/June 2018)
0
BCO-DMO catalogue of parameters from FT-ICR MS data from exudation experiments in outdoor tanks with Sargassum samples collected off the coast of Bermuda and in the Sargasso Sea in 2016
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
http://lod.bco-dmo.org/id/dataset-parameter/939559.rdf
Name: Ion_Mode
Units: unitless
Description: <p>Ion mode (NegMode or PosMode). See methodology negative and positive electrospray ionization details.</p>
http://lod.bco-dmo.org/id/dataset-parameter/939560.rdf
Name: ExpMass
Units: parts per million (ppm)
Description: <p>experimental mass</p>
http://lod.bco-dmo.org/id/dataset-parameter/939561.rdf
Name: Intensity
Units: ions
Description: <p>average peak intensity q. total ion count.</p>
http://lod.bco-dmo.org/id/dataset-parameter/939562.rdf
Name: HIon
Units: atoms
Description: <p>number of hydrogen atoms (ionic mass)</p>
http://lod.bco-dmo.org/id/dataset-parameter/939563.rdf
Name: Hneutral
Units: atoms
Description: <p>number of hydrogen atoms (neutral mass)</p>
http://lod.bco-dmo.org/id/dataset-parameter/939564.rdf
Name: C
Units: atoms
Description: <p>number of carbon atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/939565.rdf
Name: O
Units: atoms
Description: <p>number of oxygen atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/939566.rdf
Name: N
Units: atoms
Description: <p>number of nitrogen atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/939567.rdf
Name: S
Units: atoms
Description: <p>number of sulfur atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/939568.rdf
Name: Br
Units: atoms
Description: <p>number of bromine atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/939569.rdf
Name: Neutral_Mass
Units: parts per million (ppm)
Description: <p>Neutral Mass. experimental mass + H</p>
http://lod.bco-dmo.org/id/dataset-parameter/939570.rdf
Name: Actual_Mass
Units: parts per million (ppm)
Description: <p>Actual Mass. calculated mass from formula assignment (C,Hneut,O,etc)</p>
http://lod.bco-dmo.org/id/dataset-parameter/939571.rdf
Name: Mass_Error
Units: parts per million (ppm)
Description: <p>Mass error. ABS(Neutral Mass – Actual Mass)/(Neutral mass)*1E6</p>
GB/NERC/BODC > British Oceanographic Data Centre, Natural Environment Research Council, United Kingdom
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
https://osprey.bco-dmo.org/dataset/938799/data/download
download
onLine
dataset
<p><em>Sargassum </em>(urn:lsid:marinespecies.org:taxname:144132)&nbsp;was collected during two sampling events in July and in late September/early October 2016, described in detail in a previous study (Powers et al., 2019, Global Biogeochemical Sciences (GBC), <em>33</em>(11), 1423-1439). Briefly, samples were collected in July 2016 aboard the R/V <em>Hugh R. Sharp in</em> the Sargasso Sea, and were housed onboard in a tank (&lt; 3 days) with continuously flowing seawater before it was transported to the Chesapeake Biological Laboratory (CBL) for exudation experiments. <strong>These are exudation experiments are referred to as CBL exudation experiments.</strong> <em>Sargassum</em> samples collected in early fall 2016 aboard the R/V <em>Henry Stommel</em>, 9 km off the coast of Bermuda, were used in outdoor exudation experiments. <strong>These exudation experiments are referred to as BDA exudation experiments.&nbsp;</strong></p>
<p><strong>Solid phase extraction (SPE).</strong> At the end of all incubation experiments that typically lasted 24 to 48 h, tank water housing <em>Sargassum</em> was filtered through pre-combusted Whatman 0.7 µm GF/F glass fiber filters, acidified to pH 2 using concentrated HCl and solid-phase extracted using Agilent Bond Elut PPL cartridges. Our solid phase extraction (SPE) technique utilized 10 g custom-packed cartridges that were activated with ultrapure methanol and rinsed with ultrapure 0.1% formic acid water prior to extraction. After extraction, cartridges were rinsed with 0.1% formic acid water and dried. SPE-DOM was eluted in 30 mL ultrapure MeOH and these methanolic extracts were stored at -20 °C until FT-ICR MS analysis.</p>
<p><strong>FT-ICR MS.</strong> Mass spectrometric analyses were undertaken at the Helmholtz Zentrum, Munich, Germany using a Bruker Solarix 12 Tesla Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) using both negative and positive electrospray ionization at 3600 V. The flow rate was 120 µL/h, 500 spectra were averaged resulting in a resolution &gt;500,000 at <em>m/z</em> 400 and mass error &lt;0.2 ppm. Calibration was performed with arginine clusters and spectra were post-calibrated using known DOM <em>m/z</em> ions across the <em>m/z</em> range of 200-700. The following chemical elements were used to compute exact molecular formulae using proprietary software: <sup>12</sup>C<sub>1-∞</sub>, <sup>1</sup>H<sub>1-∞</sub>, <sup>16</sup>O<sub>1-∞</sub>, <sup>14</sup>N<sub>0-5</sub> and <sup>32</sup>S<sub>0-2</sub>, and <sup>79/81</sup>Br<sub>0-2</sub>. All formula assignments containing Br were confirmed manually using isotope simulation in the Bruker Data Analysis software, to confirm the presence of the <sup>81</sup>Br isotope at ~50% natural abundance.&nbsp;</p>
Specified by the Principal Investigator(s)
<p>This dataset includes formula assignments for outdoor (BDA) exudation experiments under natural (sunlight) conditions (n = 4). These data were published in Powers et al. 2019 (GBC).</p>
Specified by the Principal Investigator(s)
* Sheet "NegMode" and "PosMode" of submitted file "Sargassum_Exudation_FTMS_neg_pos_mode.xls" was imported into the BCO-DMO data system for this dataset. Sheets were combined into one table with an additional column indicating the ion mode. Values "NA" were imported as missing data values.
** Missing data values are displayed differently based on the file format you download. They are blank in csv files, "NaN" in MatLab files, etc.
* Column name varied between the positive and negative mode tables, Hneutral was assumed to be the same column Hneut(described parameter by data submitter).
* Metadata for this dataset was extracted from file DATASET_Sargassum_FTMS.rtf
Specified by BCO-DMO Data Managers
asNeeded
7.x-1.1
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
Bruker Solarix 12 Tesla Fourier transform (FT) ion cyclotron resonance (ICR) mass spectrometer located at the Helmholtz Zentrum, Munich, Germany.
Bruker Solarix 12 Tesla Fourier transform (FT) ion cyclotron resonance (ICR) mass spectrometer located at the Helmholtz Zentrum, Munich, Germany.
PI Supplied Instrument Name: Bruker Solarix 12 Tesla Fourier transform (FT) ion cyclotron resonance (ICR) mass spectrometer located at the Helmholtz Zentrum, Munich, Germany. Instrument Name: Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Instrument Short Name:FTICR MS Instrument Description: In Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, the mass-to-charge ratio (m/z) of an ion is experimentally determined by measuring the frequency at which the ion processes in a magnetic field. These frequencies, which are typically in the 100 KHz to MHz regime, can be measured with modern electronics making it possible to determine the mass of an ion to within +/- 0.000005 amu or 5 ppm.
Cruise: HRS1608
HRS1608
R/V Hugh R. Sharp
Community Standard Description
International Council for the Exploration of the Sea
R/V Hugh R. Sharp
vessel
HRS1608
Michael Gonsior
University of Maryland Center for Environmental Science
R/V Hugh R. Sharp
Community Standard Description
International Council for the Exploration of the Sea
R/V Hugh R. Sharp
vessel