<?xml version="1.0"?>
<mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" id="XKHHKXCBFHUOHM-UHFFFAOYSA-N" version="0.1">
  <cvList count="2">
    <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="2.26.0" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
    <cv id="UO" fullName="Unit Ontology" version="14:07:2009" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/>
  </cvList>
  <fileDescription>
    <fileContent>
      <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
    </fileContent>
    <sourceFileList count="1">
      <sourceFile id="_msms-20513-mz-values.txt-20190109-20465-qhixot" name="msms-20513-mz-values.txt-20190109-20465-qhixot" location="http://contaminantdb.cahttp://moldb.wishartlab.com/system/documents/files/001/659/941/original/msms-20513-mz-values.txt-20190109-20465-qhixot?1547061753">
        <cvParam cvRef="MS" accession="MS:1001369" name="text file" value=""/>
      </sourceFile>
    </sourceFileList>
    <contact>
      <cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="David Wishart"/>
      <cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="University of Alberta"/>
      <cvParam cvRef="MS" accession="MS:1000587" name="contact address" value="University of Alberta, Edmonton, Alberta, Canada, T6G 2E8"/>
      <cvParam cvRef="MS" accession="MS:1000588" name="contact URL" value="http://wishartlab.com"/>
      <cvParam cvRef="MS" accession="MS:1000589" name="contact email" value="david.wishart@ualberta.ca"/>
    </contact>
  </fileDescription>
  <softwareList count="1">
    <software id="SpecDB" version="0.1">
      <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="SpecDB Spectra management database"/>
    </software>
  </softwareList>
  <instrumentConfigurationList count="1">
    <instrumentConfiguration id="instrument">
      <cvParam cvRef="MS" accession="MS:1000031" name="instrument model" value=""/>
    </instrumentConfiguration>
  </instrumentConfigurationList>
  <dataProcessingList count="1">
    <dataProcessing id="SpecDB_processing">
      <processingMethod order="1" softwareRef="SpecDB">
        <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
      </processingMethod>
    </dataProcessing>
  </dataProcessingList>
  <run id="run_1" defaultInstrumentConfigurationRef="instrument" defaultSourceFileRef="_msms-20513-mz-values.txt-20190109-20465-qhixot">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_msms-20513-mz-values.txt-20190109-20465-qhixot" index="0" defaultArrayLength="31">
        <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
        <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
        <cvParam cvRef="MS" accession="MS:1000130" name="positive scan" value=""/>
        <binaryDataArrayList count="2">
          <binaryDataArray encodedLength="338" dataProcessingRef="SpecDB_processing">
            <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
            <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
            <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
            <binary>xv0mmFqCRUCaYmk7AYNJQMb9JphagktAeO5ealuETEAq35Y8XIZNQJVvSx4u
w1RA0kSOY9pBVUA8dy+1LUJXQCs9qszawlhA0kSOY9pBW0DL8ES1LUJdQNJE
jmPaQV5AbMzriMMgYUD7Xdia7aFiQChCj71DYWRA/gf98cOhZED+B/3xwyFm
QChCj71DYWdA/gf98cMhaUAr7LMUGmFpQChCj71DYWpA/gf98cMhbEAr7LMU
GmFsQOdhV0maoWxA/gf98cOhbUDnYVdJmiFuQL0nxX0aYm5A52FXSZqhb0C9
J8V9GuJvQNPAj2r4MHBAvqPGhDjRcUA=
</binary>
          </binaryDataArray>
          <binaryDataArray encodedLength="338" dataProcessingRef="SpecDB_processing">
            <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
            <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
            <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts"/>
            <binary>n3/fIBFDpD/6EffDTLWFP+txUwrQ64E/6jeQCCYL3D/IYVm1lzCmPw/US8J8
77s/AInXUg9TxD+0goCn0pCQP5wrUDC/MY0/yI34WPXOlD9POw8+OtR7P8sH
3rsPgXQ/4Py+6kXn5T/lgPHVlGDIP8i++5EIJ48/HvN7R//eoT/E+JnMkmaW
PyQPeOMTYLg/aJK+6xiAkz/Ng7Bl/ZeSP1DW4J+IPKA/yH9wYqnlez/b1mzn
b0m2PyhKtsGfVrM/k1/tDsNssT9JHkIzTEi/P9fvGthQWNE/di/j5WpfE0Dj
hhyxz5nzP7XuBtzx+dY/inA4mHK9VkA=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
