<?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="InChIKey=PGBHMTALBVVCIT-VCIWKGPPSA-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="_CHEM002314-high.txt" name="CHEM002314-high.txt" location="http://t3db.cahttp://moldb.wishartlab.com/system/documents/files/000/128/861/original/CHEM002314-high.txt?1470240971">
        <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="_CHEM002314-high.txt">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_CHEM002314-high.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>2BYaX2YERUCKB1IxZwZGQMtxnwNoCEdA2BYaX2YES0CKB1IxZwZMQORdgSrm
w1FAW9EHR+ACUkAEE6iT5kRSQHuGLrDgg1JAEVSNXo2DWUBJD0Ork8VcQPwP
+uOHQ11A52FXSZqhYEBkp2lhIKNgQKgxxiyg4mFAx8kOOx0CYkBkp2lhICNi
QDpt15WgY2JAZ1GOuPYiZEA9F/zsdmNkQJy+Q/amRG1AM8CqH4BScEAt7wXB
fkJxQD07Kkg9UnFAP5C8cyhSckAvRJjsaQJzQP2yxX/rEnNADf/pBqoic0Dd
wqnFFjN0QIgaO5eYU3tAelwK/k2CgEA=
</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>T02OqkLVEkAuoaaJg2cLQKbGGf1HQvk/MkZG9BuQ7z/h6o4y02/0P1S2kbBE
xwtA3XtLSIrZ+T+5VkMurWD8P2dqMBJ8Mfc/nhvDMQXK9D+/AwbArXwDQM0R
8nTAM/Q/sw7p5eceA0C3LbPQGgDzPwWusZ9TdfI/kfi3+bZY9T9ePbwhbNwl
QLq98L+fLv0/Pw1rbKf8K0DxDSoWZIABQMdMyCWTRQ5Aq3JGOT3c8j/2eH+O
H3L0P/1aLH+dywFA4C7aZ77g8T90HXB+P1T0PzzLDTXzLBhAG3mQBgbGFUCi
HT9tt4ksQKGd6shF4P8/zsxuW8vM8T8=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
