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            <gco:CharacterString>Cite this dataset as: Gonsior, M., Powers, L. (2026) Dissolved DOC and TDN data from water samples collected at various sites around Puerto Rico during a Sargassum inundation event from May to June 2018. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2026-10-22 [if applicable, indicate subset used]. http://lod.bco-dmo.org/id/dataset/1010596 [access date]</gco:CharacterString>
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        <gco:CharacterString>Dissolved compound (DOC and TDN) data from water samples collected at various sites around Puerto Rico May-June 2018 during a Sargassum inundation event Dataset Description:  Methods and Sampling: &amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;Sample collection&amp;lt;/strong&amp;gt;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Grab water samples (surface, ~0m) were collected dockside or by small boat in in 10-L low-density polyethylene cubitainers that had been pre-cleaned with 0.1 M NaOH for 24 h followed by several rinses of ultrapure Milli-Q water. Within 3 h of collection, samples for DOC and TDN analysis were 0.2-µm filtered through cellulose acetate filters into 40-mL combusted amber glass vials. Single samples for DOC/TDN were collected at each site, unless otherwise noted. The remaining samples were 0.7 µm-filtered through pre-combusted Whatman GF/F glass fiber filters into clean combusted 1-L bottles. SPE samples were collected in duplicate or triplicate. The 0.7 µm-filtered samples were then acidified to pH 2 using ultrapure concentrated HCl and underwent solid phase extraction (SPE). &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt; exudates were generated by placing fragments of &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt; in clear 500-mL Teflon bottles with seawater collected on the Atlantic shore with no visible &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt;. Bottles were placed in a cooler with running water to maintain ambient temperature for 5 h. Seawater in bottles without &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt; served as a control. After 5 h, exudates and the control were 0.7 µm-filtered as above and also underwent SPE.&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;Solid phase extraction (SPE)&amp;lt;/strong&amp;gt;&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;We utilized 1 g Agilent Bond Elut PPL cartridges for SPE. Cartridges were activated with 10 mL ultrapure methanol and rinsed with 10 mL ultrapure 0.1% formic acid water prior to extraction. Samples were then loaded onto cartridges through clean Teflon tubing and extracted by gravity (final extraction volumes ranged from 0.4 to 1.2 L). After extraction, cartridges were rinsed with 30 mL 0.1% formic acid water and dried. Cartridges were then eluted in 10 mL ultrapure MeOH and these methanolic extracts were stored at -20 °C until ICP-MS and FT-ICR MS analysis.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;ICP-MS&amp;lt;/strong&amp;gt;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Dissolved organic compound (DOS, DOP, DOBr, DOI) analysis followed the methods described in Gonsior et al. (2024) (doi:10.1039/D3VA00361B) for DOS and DOP and in Powers et al. (2024) (doi: 10.1016/j.scitotenv.2023.169292) and Powers et al. (2026) (doi: 10.1029/2025GL119062) for dissolved organic bromine (DOBr) and dissolved organic iodine (DOI). Briefly, methanolic extract aliquots were dried under a gentle stream of nitrogen gas and redissolved in ultrapure water. Samples for DOBr and DOI analysis were also passed through silver cartridges prior to analysis to remove residual halides. DOS and DOP were analyzed by ICP-MS/MS using oxygen as the reaction gas and DOBr and DOI were analyzed by ICP-MS/MS with no gas in the Octopole Reaction System. Final concentrations were corrected for both extraction and dilution volumes. Reported values are the average and standard deviation of three replicate injections per sample.&amp;amp;nbsp;&amp;lt;/p&amp;gt;</gco:CharacterString>
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        <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/award/814752.rdf" xlink:title="OCE-1536888" xlink:actuate="onRequest">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</gmx:Anchor>
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        <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/award/814757.rdf" xlink:title="OCE-1536927" xlink:actuate="onRequest">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</gmx:Anchor>
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&amp;lt;p&amp;gt;Grab water samples (surface, ~0m) were collected dockside or by small boat in in 10-L low-density polyethylene cubitainers that had been pre-cleaned with 0.1 M NaOH for 24 h followed by several rinses of ultrapure Milli-Q water. Within 3 h of collection, samples for DOC and TDN analysis were 0.2-µm filtered through cellulose acetate filters into 40-mL combusted amber glass vials. Single samples for DOC/TDN were collected at each site, unless otherwise noted. The remaining samples were 0.7 µm-filtered through pre-combusted Whatman GF/F glass fiber filters into clean combusted 1-L bottles. SPE samples were collected in duplicate or triplicate. The 0.7 µm-filtered samples were then acidified to pH 2 using ultrapure concentrated HCl and underwent solid phase extraction (SPE). &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt; exudates were generated by placing fragments of &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt; in clear 500-mL Teflon bottles with seawater collected on the Atlantic shore with no visible &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt;. Bottles were placed in a cooler with running water to maintain ambient temperature for 5 h. Seawater in bottles without &amp;lt;em&amp;gt;Sargassum&amp;lt;/em&amp;gt; served as a control. After 5 h, exudates and the control were 0.7 µm-filtered as above and also underwent SPE.&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;Solid phase extraction (SPE)&amp;lt;/strong&amp;gt;&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;We utilized 1 g Agilent Bond Elut PPL cartridges for SPE. Cartridges were activated with 10 mL ultrapure methanol and rinsed with 10 mL ultrapure 0.1% formic acid water prior to extraction. Samples were then loaded onto cartridges through clean Teflon tubing and extracted by gravity (final extraction volumes ranged from 0.4 to 1.2 L). After extraction, cartridges were rinsed with 30 mL 0.1% formic acid water and dried. Cartridges were then eluted in 10 mL ultrapure MeOH and these methanolic extracts were stored at -20 °C until ICP-MS and FT-ICR MS analysis.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;amp;nbsp;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;&amp;lt;strong&amp;gt;ICP-MS&amp;lt;/strong&amp;gt;&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Dissolved organic compound (DOS, DOP, DOBr, DOI) analysis followed the methods described in Gonsior et al. (2024) (doi:10.1039/D3VA00361B) for DOS and DOP and in Powers et al. (2024) (doi: 10.1016/j.scitotenv.2023.169292) and Powers et al. (2026) (doi: 10.1029/2025GL119062) for dissolved organic bromine (DOBr) and dissolved organic iodine (DOI). Briefly, methanolic extract aliquots were dried under a gentle stream of nitrogen gas and redissolved in ultrapure water. Samples for DOBr and DOI analysis were also passed through silver cartridges prior to analysis to remove residual halides. DOS and DOP were analyzed by ICP-MS/MS using oxygen as the reaction gas and DOBr and DOI were analyzed by ICP-MS/MS with no gas in the Octopole Reaction System. Final concentrations were corrected for both extraction and dilution volumes. Reported values are the average and standard deviation of three replicate injections per sample.&amp;amp;nbsp;&amp;lt;/p&amp;gt;</gco:CharacterString>
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                  <gco:CharacterString>Curation Actions Performed on Data File

- Loaded PuertoRico_Sargassum_DOC_TDN.xlsx (XLSX, sheet 1, header row 1, formatting preserved) as table 1010596_v1_sargassum_inundation_event_doc_and_tdn_data; empty strings and “NA” were treated as missing values.
- Set column types: DOC, TDN, sdev_DOC, sdev_TDN, lat_dec, and long_dec as numbers; depth and n as integers; Sample_ID, Site, and location as strings; and Date as a date formatted %Y-%m-%d.
- Updated column metadata, including BCO-DMO descriptions, standard names, and supplied units, for DOC, TDN, sdev_DOC, sdev_TDN, Date, Sample_ID, Site, location, n, depth, lat_dec, and long_dec. Depth, lat_dec, and long_dec were flagged as primary parameters.
- Saved the final table as 1010596_v1_sargassum_inundation_event_doc_and_tdn_data.csv.</gco:CharacterString>
                </gmd:description>
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                          <gco:CharacterString>Specified by BCO-DMO Data Managers</gco:CharacterString>
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    <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/affiliation/191.rdf" xlink:actuate="onRequest">Biological and Chemical Oceanography Data Management Office (BCO-DMO)</gmx:Anchor>
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				    <gco:CharacterString>508-289-2009</gco:CharacterString>
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				    <gco:CharacterString>WHOI MS#36</gco:CharacterString>
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				  <gmd:city>
				    <gco:CharacterString>Woods Hole</gco:CharacterString>
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				    <gco:CharacterString>MA</gco:CharacterString>
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				  <gmd:postalCode>
				    <gco:CharacterString>02543</gco:CharacterString>
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				  <gmd:country>
				    <gco:CharacterString>USA</gco:CharacterString>
				  </gmd:country>
				  <gmd:electronicMailAddress>
				    <gco:CharacterString>info@bco-dmo.org</gco:CharacterString>
				  </gmd:electronicMailAddress>
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      <gmd:onlineResource>
          <gmd:CI_OnlineResource>
            <gmd:linkage>
              <gmd:URL>http://www.bco-dmo.org</gmd:URL>
            </gmd:linkage>
          </gmd:CI_OnlineResource>
        </gmd:onlineResource>
		  <gmd:hoursOfService>
        <gco:CharacterString>Monday - Friday 8:00am - 5:00pm</gco:CharacterString>
      </gmd:hoursOfService>
		  <gmd:contactInstructions>
		    <gco:CharacterString>For questions regarding this resource, please contact BCO-DMO via the email address provided.</gco:CharacterString>
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  <gmi:acquisitionInformation>
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    <gmi:instrument>
        <gmi:MI_Instrument>
          <gmi:identifier>
            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/685.rdf" xlink:title="Mass Spectrometer" xlink:actuate="onRequest">Agilent 8900 ICP-QQQ triple-quadrupole inductively coupled plasma mass spectrometer</gmx:Anchor>
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      <gmi:instrument>
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            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/685.rdf" xlink:title="Mass Spectrometer" xlink:actuate="onRequest">Bruker Solarix 12 Tesla FT-ICR mass spectrometer</gmx:Anchor>
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            <gco:CharacterString>PI Supplied Instrument Name: Bruker Solarix 12 Tesla FT-ICR mass spectrometer PI Supplied Instrument Description: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 negative electrospray ionization at -3600 V. The flow rate was 120 µL/h, 500 spectra were averaged. Pre-calibration was performed with arginine clusters and spectra were post-calibrated in the Bruker Data Analysis software using known DOM m/z ions across the m/z range of 200-700, with signal-to-noise set to 10.  Instrument Name: Mass Spectrometer Instrument Short Name:Mass Spec   Instrument Description: General term for instruments used to measure the mass-to-charge ratio of ions; generally used to find the composition of a sample by generating a mass spectrum representing the masses of sample components. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/</gco:CharacterString>
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      <gmi:instrument>
        <gmi:MI_Instrument>
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            <gmd:MD_Identifier>
              <gmd:code>
                <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/instrument/652.rdf" xlink:title="Total Organic Carbon Analyzer" xlink:actuate="onRequest">Shimadzu Total Carbon Analyzer (TOC-Vcph)</gmx:Anchor>
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          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Shimadzu Total Carbon Analyzer (TOC-Vcph) PI Supplied Instrument Description:DOC and TDN concentrations were measured using a Shimadzu TOC-V. Instrument Name: Total Organic Carbon Analyzer Instrument Short Name:TOC analyzer   Instrument Description: A unit that accurately determines the carbon concentrations of organic compounds typically by detecting and measuring its combustion product (CO2). See description document at: http://bcodata.whoi.edu/LaurentianGreatLakes_Chemistry/bs116.pdf Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB04/</gco:CharacterString>
          </gmi:description>
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      </gmi:instrument>
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