<?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="JOSNYUDSMPILKL-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-85250-mz-values.txt-20190109-20465-jljovd" name="msms-85250-mz-values.txt-20190109-20465-jljovd" location="http://contaminantdb.cahttp://moldb.wishartlab.com/system/documents/files/001/724/102/original/msms-85250-mz-values.txt-20190109-20465-jljovd?1547062772">
        <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-85250-mz-values.txt-20190109-20465-jljovd">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_msms-85250-mz-values.txt-20190109-20465-jljovd" 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:1000130" name="positive 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>i/tNMLUEP0B47l5qW4RAQExToQ0ChURAxv0mmFqCRUD/Q9nfAodFQLAulyKz
f0ZAQK4msgOJRkDxmOT0s4FHQLAulyKzf0xAQK4msgOJTEDxmOT0s4FNQPKe
XoQEi01ApIkcx7SDTkBWelSZtYVPQP+h7G+Bw1BAPHcvtS1CUUAgVxPZgURR
QJVvSx4uw1FAlW9LHi7DVEC2JHKHLkRVQA8djvAuxVVAaBLtEYdBVkDBCgl7
h8JWQLYkcocuRFhAKz2qzNrCWEAPHY7wLsVYQGVTrvAuxVtA9buwNdtDXEBs
p/ee28RcQHFJHwTuImBAuX2gJkRiYEA=
</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>N0hIaZ093T/yiWAPMnjzP9BJZioBliJA74n+m9pT2z9XpNMEm3ASQL+lV1uV
yvc/Mo7cVTKJ4z/O9UAeT3HWPxPTxSqFB9Q/bPtogvL5P0DByWHwY57uP4OE
SW25/ytALwufDfaX/D980H1CAFzlPx0Z43derAFACj0LGB6I3D/V9gL1Xmsk
QN4+tT4IpAxA9gKAmgsp2j9zccML/Cr7P6D04wH1WgtAsY/sV2NM4j8c1qxg
iPbWPw9ZFN40DQFAfIA1oSU06D8dhelQjcQDQEX1m6eIDOQ/RQErm0PH5j/h
hC7XFbHuPxcEXDUrce0/KlYXNFCw1z8=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
