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mwang87 committed Jan 22, 2025
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18 changes: 17 additions & 1 deletion batchuploadmzvault/index.html
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Exporting libraries in mzVault to the .msp format
</a>

</li>

<li class="md-nav__item">
<a href="#converting-to-gnps-compatible-formats" class="md-nav__link">
Converting to GNPS Compatible Formats
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Exporting libraries in mzVault to the .msp format
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</li>

<li class="md-nav__item">
<a href="#converting-to-gnps-compatible-formats" class="md-nav__link">
Converting to GNPS Compatible Formats
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NOTE: that you cannot choose which fields are exported. If you wish you can add information of your choice to the predefined fields. E.g. here we added information on ‘Adduct’ and ‘PubChemID’ to the ‘Precursor_type’ and ‘CompoundClass’ fields respectively. During inspection of the .msp file in a text editor program, you can manually replace the field names to ensure clarity in the final .msp file.</p>
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<h3 id="converting-to-gnps-compatible-formats">Converting to GNPS Compatible Formats<a class="headerlink" href="#converting-to-gnps-compatible-formats" title="Permanent link">&para;</a></h3>
<p>Use the GNPS workflow for this <a href="https://gnps.ucsd.edu/ProteoSAFe/index.jsp?params=%7B%22workflow%22:%22LIBRARY_CONVERSION%22,%22library_on_server%22:%22d.speclibs;%22%7D">here</a>. </p>
<h3 id="edit-libraries-through-sqlite-studio">Edit libraries through SQLite Studio<a class="headerlink" href="#edit-libraries-through-sqlite-studio" title="Permanent link">&para;</a></h3>
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<li>If you wish you can edit your .msp library in SQLite Studio (free, open-source software, downloadable here) and:<ul>
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Last update:
<span class="git-revision-date-localized-plugin git-revision-date-localized-plugin-datetime">April 15, 2021 17:03:52</span>
<span class="git-revision-date-localized-plugin git-revision-date-localized-plugin-datetime">January 22, 2025 00:40:30</span>


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<ul>

<li><a href="mailto:[email protected]">Ming Wang</a> (44.3%)</li>
<li><a href="mailto:[email protected]">Ming Wang</a> (44.33%)</li>

<li><a href="mailto:[email protected]">lfnothias</a> (16.5%)</li>
<li><a href="mailto:[email protected]">lfnothias</a> (16.49%)</li>

<li><a href="mailto:[email protected]">MelissaESPOSITO</a> (5.14%)</li>

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<li><a href="mailto:[email protected]">Ricardo Silva</a> (1.91%)</li>

<li><a href="mailto:[email protected]">Justin van der Hooft</a> (1.69%)</li>
<li><a href="mailto:[email protected]">Justin van der Hooft</a> (1.68%)</li>

<li><a href="mailto:[email protected]">Madeleine Ernst</a> (1.41%)</li>

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<li><a href="mailto:[email protected]">tamhdang</a> (0.64%)</li>

<li><a href="mailto:[email protected]">mpanitch</a> (0.63%)</li>
<li><a href="mailto:[email protected]">mpanitch</a> (0.62%)</li>

<li><a href="mailto:[email protected]">Ivan Protsyuk</a> (0.63%)</li>
<li><a href="mailto:[email protected]">Ivan Protsyuk</a> (0.62%)</li>

<li><a href="mailto:[email protected]">simonezuffa</a> (0.53%)</li>

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