<?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="WSORODGWGUUOBO-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-160004-mz-values.txt-20190109-20465-1ljkvy7" name="msms-160004-mz-values.txt-20190109-20465-1ljkvy7" location="http://www.contaminantdb.cahttp://moldb.wishartlab.com/system/documents/files/001/798/667/original/msms-160004-mz-values.txt-20190109-20465-1ljkvy7?1547063946">
        <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-160004-mz-values.txt-20190109-20465-1ljkvy7">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_msms-160004-mz-values.txt-20190109-20465-1ljkvy7" 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:1000129" name="negative 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>NMXSdgIGO0CFk9nFWYBEQHjuXmpbhEZA8Zjk9LOBTUDSRI5j2kFVQCs9qsza
wlVA67JOS+I8W0BinpW04r1bQNmJ3B3jPlxAUIQee4fCX0Dw7hLmR59hQL0n
xX0aYmVArw7bcZ5faECvDttxnt9pQIXUSKYeIGpAQUrs2p5gakBuLqP99J9q
QLK4/8h0X21AiX5t/fSfbUBE9BAydeBtQG4uo/30H29ARPQQMnVgb0Bx2MdU
y59vQEeeNYlL4G9AInoImTpwcEA57GOq5Y9wQAA1WrN6kHBAOkH21dDPcEAB
iuzeZdBwQAGK7N5lkHFAGPxH8BCwcUA=
</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>G34taz8C7z+bshJ0LfLxP36VmkKJPhVAzHOTBCAH8j+x5xeXPTD1P+BLLdD4
PgVAbQETS9m+IEBfSnuI6IUQQJycQUa3a+c/zGzZH/1G6j9hk3ROZbEUQIDK
ryFjpvM/j2UP5s4a6T9FKD90BF4PQOI+nesuRB1Abo1/1GM7HkD2aS+/ZyXm
P0UDcVE/yQBAS9q/eCeaIEDM0b0wlMH/PzmtbAOdlRRAxDKqysYiKkBTO+Ti
f6sRQMTQ00iXKRBAPrBssZ4c+j/8h5yR1ADoP25+iZn57fk/y6p31HIJ7D+c
GytemZHrP4ATYBEpQfM/lQEhwhFe6D8=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
