<?xml version="1.0" encoding="UTF-8"?>
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  <notes>Predicted by CFM-ID</notes>
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  <sample-assessment nil="true"/>
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  <instrument-type nil="true"/>
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  <created-at>2017-09-01T10:30:11Z</created-at>
  <updated-at>2017-10-18T08:02:46Z</updated-at>
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  <ionization-mode>Negative</ionization-mode>
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  <sample-mass-units nil="true"/>
  <predicted>true</predicted>
  <structure-id>12843</structure-id>
  <splash-key>splash10-001i-0009000000-c16445787a057993951a</splash-key>
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  <references>
    <reference>
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      <spectra-id>370739</spectra-id>
      <spectra-type>MsMs</spectra-type>
      <pubmed-id nil="true"/>
      <ref-text>Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.</ref-text>
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