<?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="NLDDIKRKFXEWBK-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="_CHEM023505-low.txt" name="CHEM023505-low.txt" location="http://foodb.cahttp://moldb.wishartlab.com/system/documents/files/000/194/970/original/CHEM023505-low.txt?1470263603">
        <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="_CHEM023505-low.txt">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_CHEM023505-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>hZPZxVmAREB47l5qW4RMQCBXE9mBRFFAeU8vQoLFUUCZBFargkZYQA8djvAu
xVhAEd+JWS9GWUAR34lZL0ZcQIjK0MIvx1xAEd+JWS9GX0AkmGpmbeFgQPtd
2JrtIWFARGVo4ZdjYUBxSR8E7qJhQEgPjThu42FAttN7z23iYkBID404bmNj
QAOFMG3uo2NAttN7z23iZUD+B/3xwyFmQLl9oCZEYmZAuX2gJkTiZ0B180Nb
xCJoQEu5sY9EY2hAeJ1ospqia0A0EwznGuNrQEw1s5ZiUnBAKvAEsaJycEAq
8ASxojJxQEBiYMJNUnFACQDp9s1SckA=
</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>5BmIqr7oyz/Sa9FQjB3QP2mXGlml+M0/D1Uc+jNDAkASiuYmzr/sPzHKcJKf
uvI/nsznryPk5T8F/G3ay5DYP2ibKv5AtAVAfl/B1bgJ4D/+dhFamhHNP0zi
PH38Ves/YtgW49mE6D/xJklcqs/nPyvKgSuU3eI/7glZsGk68T9GYJb4D7ne
P2D5qpcKMvk/g/pWZ9VAyz+0+qtG/e3/P95xio7k0vI/RWcsqfnz+D/VkafV
JfceQFP97eMGItQ/RhiKrXx81T+cIL91hP7SP1Hy4xn/KNA/nXPMhvDw0D98
TN7fJIApQLfrbcjCZeA/3bAzptx3TEA=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
