<?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=OROGSEYTTFOCAN-DNJOTXNNSA-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-442827-mz-values.txt-20190109-20465-1oaemju" name="msms-442827-mz-values.txt-20190109-20465-1oaemju" location="http://t3db.cahttp://moldb.wishartlab.com/system/documents/files/001/929/539/original/msms-442827-mz-values.txt-20190109-20465-1oaemju?1547066028">
        <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-442827-mz-values.txt-20190109-20465-1oaemju">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_msms-442827-mz-values.txt-20190109-20465-1oaemju" index="0" defaultArrayLength="96">
        <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="1042" 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>wTkjSnvDWUCV1AloIkReQOPHmLuWgmBAR3L5D+khYUCxv+yePKJhQM07TtGR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</binary>
          </binaryDataArray>
          <binaryDataArray encodedLength="1042" 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>qFZfXRWoxz+/C1uzlZfdPy9QUmABTNM/xCKGHcakAkB7MCk+PiHNPxoWo661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</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
