<?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="MKKYBZZTJQGVCD-XTCKQBCOSA-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="_CHEM022353-low.txt" name="CHEM022353-low.txt" location="http://hmdbhttp://moldb.wishartlab.com/system/documents/files/000/081/128/original/CHEM022353-low.txt?1464943270">
        <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="_CHEM022353-low.txt">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_CHEM022353-low.txt" index="0" defaultArrayLength="31">
        <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
        <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" 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>5bjPATSEUUB7hi6w4INSQF0LxPzmxVhAEVSNXo2DWUB7TQ8KSiNgQIbp1sZz
QmRAnL5D9qbEbkBQNLSmPmJwQBxOTw7V8nBA+10zVAATckAvRJjsaQJzQMZQ
TrRrU3ZAyKXg31ZTd0CWFA5z2GN3QKVgMvqWc3dAzB6ykgBjeEB1JPK4A4R4
QJvicVFtc3lAiBo7l5iTekB3eYTk7gN7QIfFqGutE3tAVTTW/i4ke0BkgPqF
7TN7QHnOFhDaA3xAVoloKhokfEA0RLpEWkR8QAoqT8VCMoBAGOTTCCI6gEDy
C68kebqAQADGM2hYwoBA6KeTx45KgUA=
</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>X5tQMoBa+T/jJQ92UDL4P2RNaZxNiOo/mX+mdQpP5j+711PvzEP2PyGERRoc
Avw/Ipo+EGAaAEBfw4fmPojnP83HgK+SdvI/RrKJxOsxGEDNx4CvknbyPzgP
Hb4pHf8/CvJY2HhN8T8N25XkIDUbQPbdQpHN+RdAmshxTLvd9j+katKlM5wi
QKF4aDTGngNA+iq5Btby7j+tQZrc6Ib2P8U56ui4NgxAuGdW6QA+5T8UMky4
W8PuP/eRgn82V+4/Oc4SCUt7LECZzJwhYb/8P3NMcbCSUgJAvquIFK9mE0Bc
vqfSTNATQOMh9oNmFSNAz65AySTkF0A=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
