<?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="IQQGHQDLZFLSGU-YZQOHXRLSA-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="_MMDBc0018113_TMS_2_2_peaks.tsv" name="MMDBc0018113_TMS_2_2_peaks.tsv" location="http://www.mimedb.cahttp://moldb.wishartlab.com/system/documents/files/005/593/279/original/MMDBc0018113_TMS_2_2_peaks.tsv?1660002910">
        <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="_MMDBc0018113_TMS_2_2_peaks.tsv">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_MMDBc0018113_TMS_2_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>XC6wAfCEREAzMxIlSoZNQHm9h40qA1FAJgRIwKpDUUD1FqzE/kJSQAiM3HCr
QlZAYRld1qvDVkDf6/cGV8JXQIwyuDnXAlhAOHl4bFdDWEDlvzif14NYQLx0
kxgEQ19AemqaHONRcEAlfEopAyJxQH3Uumij8nJAwybXue6idUBuOIfGDrN1
QJvJN9u8UnhAfFi5YcVieEDg5kMGqBJ6QHfWbruwInpA4lBkUmjze0A5dMRr
qNN8QH2R0JaTk35AdZ5not4jf0DeYF42IGKBQIpyDkNAcoFAX3tmSVB6gUCi
9UsfVYKBQIFv5MsV4oFAa156oBrqgUA=
</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>YnV09KnbCkBV5B+coHgAQCBeapOpE/M/8o41Hspa+D8bBdyBp60CQMa2yBpO
+fg/vSz1RaWd5z/Kx+Cz/XzvP7KCIaPqnPs/D081zjRiB0ARUkxhy7LlP4er
8TwyavI/xUdTG2Z56D9ghy/oxM8EQGFufz/YqOo/qp3TvzPA7j87HqgUceLt
PxFDa3iMsAJA/+MN+wBu6D/YlA1mcckEQJanNQYLIuw/JSvn1JPG9z9OKISS
qbHtP4k9gMJqbuU/tf3IAJJR9z8IqBoE8IPzPy5F7ZNnQ+g//4VQa7vF+D8A
abdSGoXlP6KcIYKV3glAQtkDyRV49j8=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
