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LipidQuant 1.0: automated data processing in lipid class separation - mass spectrometry quantitative workflows

Wolrab, Denise; Cífková, Eva; Čáň, Pavel; Lísa, Miroslav; Peterka, Ondřej; Chocholoušková, Michaela; Jirásko, Robert; Holčapek, Michal


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  <identifier identifierType="DOI">10.5281/zenodo.4899685</identifier>
  <creators>
    <creator>
      <creatorName>Wolrab, Denise</creatorName>
      <givenName>Denise</givenName>
      <familyName>Wolrab</familyName>
      <affiliation>University of Pardubice</affiliation>
    </creator>
    <creator>
      <creatorName>Cífková, Eva</creatorName>
      <givenName>Eva</givenName>
      <familyName>Cífková</familyName>
      <affiliation>University of Pardubice</affiliation>
    </creator>
    <creator>
      <creatorName>Čáň, Pavel</creatorName>
      <givenName>Pavel</givenName>
      <familyName>Čáň</familyName>
      <affiliation>DEZA, a.s.</affiliation>
    </creator>
    <creator>
      <creatorName>Lísa, Miroslav</creatorName>
      <givenName>Miroslav</givenName>
      <familyName>Lísa</familyName>
      <affiliation>University of Pardubice</affiliation>
    </creator>
    <creator>
      <creatorName>Peterka, Ondřej</creatorName>
      <givenName>Ondřej</givenName>
      <familyName>Peterka</familyName>
      <affiliation>University of Pardubice</affiliation>
    </creator>
    <creator>
      <creatorName>Chocholoušková, Michaela</creatorName>
      <givenName>Michaela</givenName>
      <familyName>Chocholoušková</familyName>
      <affiliation>University of Pardubice</affiliation>
    </creator>
    <creator>
      <creatorName>Jirásko, Robert</creatorName>
      <givenName>Robert</givenName>
      <familyName>Jirásko</familyName>
      <affiliation>University of Pardubice</affiliation>
    </creator>
    <creator>
      <creatorName>Holčapek, Michal</creatorName>
      <givenName>Michal</givenName>
      <familyName>Holčapek</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-3978-1249</nameIdentifier>
      <affiliation>University of Pardubice</affiliation>
    </creator>
  </creators>
  <titles>
    <title>LipidQuant 1.0: automated data processing in lipid class separation - mass spectrometry quantitative workflows</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>Lipidomics</subject>
    <subject>Mass spectrometry</subject>
    <subject>Data processing</subject>
    <subject>Quantitation</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-06-04</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Preprint"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/4899685</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.4899684</relatedIdentifier>
  </relatedIdentifiers>
  <version>LipidQuant 1.0</version>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;We present the LipidQuant 1.0 tool for automated data processing workflows in lipidomic quantitation based on lipid class separation coupled with high-resolution mass spectrometry. Lipid class separation workflows, such as hydrophilic interaction liquid chromatography or supercritical fluid chromatography, should be preferred in lipidomic quantitation due to the coionization of lipid class internal standards with analytes from the same class. The individual steps in the LipidQuant workflow are explained, including lipid identification, quantitation, isotopic correction, and reporting results. We show the application of LipidQuant data processing to a small cohort of human serum samples.&lt;/p&gt;</description>
  </descriptions>
</resource>
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