<?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="SOLXJHKVRWSNJX-ZAQZKMIBSA-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="_MMDBc0029899_TMS_1_2_peaks.tsv" name="MMDBc0029899_TMS_1_2_peaks.tsv" location="http://www.mimedb.cahttp://moldb.wishartlab.com/system/documents/files/005/593/918/original/MMDBc0029899_TMS_1_2_peaks.tsv?1660002920">
        <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="_MMDBc0029899_TMS_1_2_peaks.tsv">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_MMDBc0029899_TMS_1_2_peaks.tsv" 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>9RasxP5CUkAIjNxwq0JWQA4dMzf8PVhA0p9H1qvDWUDYMJ6c/L5bQLXtxWF6
SF9AH1H8cyyiYEDmnmRhPidqQD8s5cY+qG1AaGGq9O4gbkBry8pAr4FuQMHu
KlrvoW5AZLN+jgqUcED/8+rSNXRyQFIFSNmHOoFAKA6g35eigUD9Fvjlp6qB
QBN0xdatsoFAQjQEEZMKg0BEaRQ381qEQO96xEMTy4RAmox0UDM7hUBfWQ6Z
99uFQKk3/p/+44VANWJmnwfkhUAKa76lF0yGQJvBhHaTi4ZAWIv0Ry08h0Cd
9pSc8zuIQEk9Vc9z/IlAVvpkIHoEikA=
</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>sJwQfATV9z9rMPYm0qLrP81nq1gdcQJAx53IT4fG/T+250NhYYr2P2e+ohq4
hOw/ei6By8vw/T9NXQZX0ZPkP4nJi7SjJPQ/CBXXG+5Y6D94WTtliL/sP2NJ
zLreyeo/2i1Vq6cN+D9fzYy94dboP8XxLcD/Xew/djx6hBkB8z8YDgXlFsgB
QCPhS/1N4+k/Njz+SUMn7T/zAQdRkyHlPz1/HepF5eQ/05PwQ7Cp5D/j1mC+
Fbn7P6W26ZOJ+Og/qYjTSbY69j9CfJAAlp71P873s57x4+Y/UrXbupT06D8W
WUwb9w7yPyutayZyOPQ/XPIO5J+g5j8=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
