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            <gco:CharacterString>Cite this dataset as: Durham, B. (2020) Intracellular sulfonate metabolites measured in a variety of eukaryotic and prokaryotic phytoplankton and heterotrophic bacteria using liquid chromatography-mass spectrometry-based metabolomics. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2020-06-10 [if applicable, indicate subset used]. doi:10.26008/1912/bco-dmo.814713.1 [access date]</gco:CharacterString>
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        <gco:CharacterString>Dataset Description: &amp;lt;p&amp;gt;Intracellular sulfonate metabolites were measured in a variety of eukaryotic and prokaryotic phytoplankton and heterotrophic bacteria using liquid chromatography-mass spectrometry-based metabolomics. These data have been published in Durham et al. (2019).&amp;amp;nbsp;Raw data are available at Metabolomics Workbench under Project ID PR000797.&amp;lt;/p&amp;gt; Methods and Sampling: &amp;lt;p&amp;gt;Pure cultures of bacteria and phytoplankton were grown in artificial seawater medium, and cells were collected during mid-to-late exponential phase by gentle filtration onto 0.2 micron Durapore filters. All filters were flash frozen in liquid nitrogen and stored at -80 degrees Celsius until further processing. Frozen filters of cells and media blanks were extracted and analyzed using a targeted liquid chromatography-mass spectrometry-based metabolomics method according to the protocols in Boysen and Heal et al., 2018. Briefly, metabolites were extracted using a modified Bligh–Dyer extraction using 1:1 methanol/water (aqueous phase) and dichloromethane (organic phase). Targeted metabolomics data were generated using a Waters Xevo TQ-S triple quadrupole with both reverse-phase and hydrophilic interaction liquid chromatography (HILIC). Taurine, isethionate, sulfolactate, and cysteate were quantified using isotopically-labeled internal standards that were added prior to extraction. DHPS was quantified by generating standard addition curves.&amp;lt;/p&amp;gt;

&amp;lt;p&amp;gt;Instruments: Targeted metabolomics data were generated using a Waters Xevo TQ-S triple quadrupole (TQS) with electrospray ionization (ESI) in selected reaction monitoring mode (SRM) with polarity switching. SRM conditions for each compound (collision energy, cone voltage, precursor, and product ions) were optimized by infusion of each metabolite standard. For most metabolites, two SRM transitions were selected based on maximum peak areas. All chromatographic separations were carried out on a Waters Acquity I-Class UPLC (Waters Corporation, Milford, MA).&amp;lt;/p&amp;gt;</gco:CharacterString>
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        <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/award/718130.rdf" xlink:title="OCE-1521564" xlink:actuate="onRequest">Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1521564 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1521564</gmx:Anchor>
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              </gmd:code>
            </gmd:MD_Identifier>
          </gmi:identifier>
          <gmi:type>
            <gco:CharacterString>Waters Xevo TQ-S triple quadrupole</gco:CharacterString>
          </gmi:type>
          <gmi:description>
            <gco:CharacterString>PI Supplied Instrument Name: Waters Xevo TQ-S triple quadrupole PI Supplied Instrument Description:Targeted metabolomics data were generated using a Waters Xevo TQ-S triple quadrupole with both reverse-phase and hydrophilic interaction liquid chromatography (HILIC). 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>
          </gmi:description>
        </gmi:MI_Instrument>
      </gmi:instrument>
      </gmi:MI_AcquisitionInformation>
  </gmi:acquisitionInformation>
</gmi:MI_Metadata>
