<?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="KQKPFRSPSRPDEB-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="_CHEM002244-high.txt" name="CHEM002244-high.txt" location="http://hmdbhttp://moldb.wishartlab.com/system/documents/files/000/211/235/original/CHEM002244-high.txt?1470269086">
        <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="_CHEM002244-high.txt">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_CHEM002244-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>LVmZGcsEPEDYFhpfZgRFQIoHUjFnBkZAy3GfA2gITUBOMJT6Dz5QQG/lumMQ
v1BATjCU+g8+U0AUklAjwn1TQG/lumMQv1NAbYpsjML+U0BtimyMwv5WQI0/
k/XCf1dARuBZzJkBYEACVv0AGsJhQAJW/QAaQmNA2BtrNZqCY0B3o+qycyNk
QKHdfH7zYmVAod18fvPiZkB3o+qycyNnQDMZjufzY2dAyIBHr2EAaECD9urj
4UBoQDMZjufz42hAg/bq4+HAaUA/bI4YYoFrQBUy/EziwWtA3/MNljsib0C4
l4//nZFwQKN6xhnesXBAv73GiYphcUA=
</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>0anVniyx/T9nd3GwcXz5P/RYQl31HxBAO4rW/owwEEDLgmgxofk0QDb2un8L
DvI/o5X8AW/G8T96XVTFM+QqQH0c33RRiPc/sDSziSFH7T89vX0Wfi4QQCN0
I25G0C1A07QczEwn9j90LfdV+/T0P0kZJ3RNv+U/Y3RS9bEO6j+i520oEIjq
P4fthB0aNOk/Gq9LHXw68z9Ri/a1hJXwP4XolHC29wFAUL7Ove8e9z/yqNpp
yeX/P9MwzYtLge0/KWIbNYIsCUDvQdqPrFEEQAI9I/01VgJAur/Q3HA3CEA3
UXbzh9gJQDPvdzvJdec/JlkpMqpc6z8=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
