<?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="ODQWQRRAPPTVAG-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-444691-mz-values.txt-20190109-20465-qo9ln0" name="msms-444691-mz-values.txt-20190109-20465-qo9ln0" location="http://hmdbhttp://moldb.wishartlab.com/system/documents/files/001/931/403/original/msms-444691-mz-values.txt-20190109-20465-qo9ln0?1547066059">
        <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-444691-mz-values.txt-20190109-20465-qo9ln0">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_msms-444691-mz-values.txt-20190109-20465-qo9ln0" index="0" defaultArrayLength="79">
        <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="859" 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>FNBE2PCESkDc14FzRoRMQBx8YTJVCE1AWDm0yHZCUEDu68A5I0JRQA6+MJkq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</binary>
          </binaryDataArray>
          <binaryDataArray encodedLength="859" 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>URGnk2x1xz+EtwchIF/IPyDsFKsGoTpAVpxqLcxCwz+/mZguxOrDP/jGEAAc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</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
