<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-02046275</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-03T01:37:40+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry</title>
            <author role="aut">
              <persName>
                <forename type="first">Mathilde</forename>
                <surname>Farenc</surname>
              </persName>
              <idno type="halauthorid">1173472-0</idno>
              <affiliation ref="#struct-141329"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">B.</forename>
                <surname>Paupy</surname>
              </persName>
              <idno type="halauthorid">1530905-0</idno>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">S.</forename>
                <surname>Marceau</surname>
              </persName>
              <idno type="halauthorid">612918-0</idno>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">E.</forename>
                <surname>Riches</surname>
              </persName>
              <idno type="halauthorid">1530870-0</idno>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Carlos</forename>
                <surname>Afonso</surname>
              </persName>
              <email type="md5">6ca44af7dce37dd31f2fa5877aec6fbd</email>
              <email type="domain">univ-rouen.fr</email>
              <idno type="idhal" notation="string">carlos-afonso</idno>
              <idno type="idhal" notation="numeric">2264</idno>
              <idno type="halauthorid" notation="string">15362-2264</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/E-9736-2011</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-2406-5664</idno>
              <idno type="IDREF">https://www.idref.fr/089578961</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/E-9736-2011</idno>
              <affiliation ref="#struct-141329"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">P.</forename>
                <surname>Giusti</surname>
              </persName>
              <idno type="halauthorid">74587-0</idno>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Madeleine</forename>
                <surname>ROUX-MERLIN</surname>
              </persName>
              <email type="md5">f86e5badd714b96f2b918bacc4fba369</email>
              <email type="domain">univ-rouen.fr</email>
            </editor>
            <funder ref="#projanr-25520"/>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2019-02-22 15:39:43</date>
              <date type="whenModified">2025-05-15 03:09:36</date>
              <date type="whenReleased">2019-02-22 15:39:43</date>
              <date type="whenProduced">2017</date>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="663208">
                <persName>
                  <forename>Madeleine</forename>
                  <surname>ROUX-MERLIN</surname>
                </persName>
                <email type="md5">f86e5badd714b96f2b918bacc4fba369</email>
                <email type="domain">univ-rouen.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-02046275</idno>
            <idno type="halUri">https://normandie-univ.hal.science/hal-02046275</idno>
            <idno type="halBibtex">farenc:hal-02046275</idno>
            <idno type="halRefHtml">&lt;i&gt;Journal of The American Society for Mass Spectrometry&lt;/i&gt;, 2017, 28 (11), pp.2476-2482. &lt;a target="_blank" href="https://dx.doi.org/10.1007/s13361-017-1749-1"&gt;&amp;#x27E8;10.1007/s13361-017-1749-1&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Journal of The American Society for Mass Spectrometry, 2017, 28 (11), pp.2476-2482. &amp;#x27E8;10.1007/s13361-017-1749-1&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="INSA-ROUEN">Institut National des Sciences Appliquées de Rouen</idno>
            <idno type="stamp" n="ENSI-CAEN">Ecole Nationale Supérieure d'Ingénieurs de Caen</idno>
            <idno type="stamp" n="COMUE-NORMANDIE">Normandie Université</idno>
            <idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno>
            <idno type="stamp" n="UNIROUEN">Université de Rouen Normandie</idno>
            <idno type="stamp" n="ENSICAEN">École Nationale Supérieure d’Ingénieurs de Caen</idno>
            <idno type="stamp" n="UNILEHAVRE">Université Le Havre Normandie</idno>
            <idno type="stamp" n="UNICAEN">Université de Caen Normandie</idno>
            <idno type="stamp" n="COBRA" corresp="CNRS">Chimie Organique et Bioorganique : Reactivité et Analyse </idno>
            <idno type="stamp" n="INSA-GROUPE">Groupe INSA</idno>
            <idno type="stamp" n="TEST-HALCNRS">Collection test HAL CNRS</idno>
            <idno type="stamp" n="ANR">ANR</idno>
            <idno type="stamp" n="TEST2-HALCNRS">TEST2-HALCNRS</idno>
            <idno type="stamp" n="LABOS-SYNORG">Labex SYNORG</idno>
            <idno type="stamp" n="PUBLIS-SYNORG">Publications financées par le Labex SYNORG</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Mathilde</forename>
                    <surname>Farenc</surname>
                  </persName>
                  <idno type="halauthorid">1173472-0</idno>
                  <affiliation ref="#struct-141329"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">B.</forename>
                    <surname>Paupy</surname>
                  </persName>
                  <idno type="halauthorid">1530905-0</idno>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">S.</forename>
                    <surname>Marceau</surname>
                  </persName>
                  <idno type="halauthorid">612918-0</idno>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">E.</forename>
                    <surname>Riches</surname>
                  </persName>
                  <idno type="halauthorid">1530870-0</idno>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Carlos</forename>
                    <surname>Afonso</surname>
                  </persName>
                  <email type="md5">6ca44af7dce37dd31f2fa5877aec6fbd</email>
                  <email type="domain">univ-rouen.fr</email>
                  <idno type="idhal" notation="string">carlos-afonso</idno>
                  <idno type="idhal" notation="numeric">2264</idno>
                  <idno type="halauthorid" notation="string">15362-2264</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/E-9736-2011</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-2406-5664</idno>
                  <idno type="IDREF">https://www.idref.fr/089578961</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/E-9736-2011</idno>
                  <affiliation ref="#struct-141329"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">P.</forename>
                    <surname>Giusti</surname>
                  </persName>
                  <idno type="halauthorid">74587-0</idno>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">16319</idno>
                <idno type="issn">1044-0305</idno>
                <idno type="eissn">1879-1123</idno>
                <title level="j">Journal of The American Society for Mass Spectrometry</title>
                <imprint>
                  <publisher> American Chemical Society </publisher>
                  <biblScope unit="volume">28</biblScope>
                  <biblScope unit="issue">11</biblScope>
                  <biblScope unit="pp">2476-2482</biblScope>
                  <date type="datePub">2017</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1007/s13361-017-1749-1</idno>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">Isomer</term>
                <term xml:lang="en">Mass spectrometry</term>
                <term xml:lang="en">Ion mobility</term>
                <term xml:lang="en">Complex mixture</term>
                <term xml:lang="en">Petroleum</term>
              </keywords>
              <classCode scheme="halDomain" n="chim">Chemical Sciences</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>Ion mobility coupled with mass spectrometry was proven to be an efficient way to characterize complex mixtures such as petroleum samples. However, the identification of isomeric species is difficult owing to the molecular complexity of petroleum and no availability of standard molecules. This paper proposes a new simple indicator to estimate the isomeric content of highly complex mixtures. This indicator is based on the full width at half maximum (FWHM) of the extracted ion mobility peak measured in millisecond or square angstrom that is corrected for instrumental factors such as ion diffusion. This value can be easily obtained without precisely identifying the number of isomeric species under the ion mobility peaks. Considering the Boduszynski model, the ion mobility profile for a particular elemental composition is expected to be a continuum of various isomeric species. The drift time-dependent fragmentation profile was studied and confirmed this hypothesis, a continuous evolution of the fragmentation profile showing that the larger alkyl chain species were detected at higher drift time values. This new indicator was proven to be a fast and efficient method to compare vacuum gas oils for which no difference was found using other analytical techniques.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-141329" status="OLD">
          <idno type="IdRef">147289319</idno>
          <idno type="RNSR">200012115Y</idno>
          <idno type="ROR">https://ror.org/04e8pda19</idno>
          <orgName>Chimie Organique et Bioorganique : Réactivité et Analyse</orgName>
          <orgName type="acronym">COBRA</orgName>
          <date type="start">2000-01-01</date>
          <date type="end">2024-12-31</date>
          <desc>
            <address>
              <addrLine>1 Rue Tesniere 76821 Mont St Aignan Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.lab-cobra.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-106625" type="direct"/>
            <relation active="#struct-300318" type="direct"/>
            <relation active="#struct-455934" type="indirect"/>
            <relation active="#struct-301288" type="direct"/>
            <relation active="#struct-301232" type="indirect"/>
            <relation active="#struct-441569" type="direct"/>
            <relation active="#struct-302261" type="direct"/>
            <relation active="#struct-7127" type="indirect"/>
            <relation active="#struct-246955" type="indirect"/>
            <relation active="#struct-300317" type="indirect"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="FR3038" active="#struct-441569" type="direct"/>
            <relation name="UMR6014" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="regrouplaboratory" xml:id="struct-106625" status="VALID">
          <idno type="IdRef">140056521</idno>
          <orgName>Institut de Chimie Organique Fine</orgName>
          <orgName type="acronym">IRCOF</orgName>
          <desc>
            <address>
              <addrLine>Rue Tesniére 76131 Mont Saint Aignan Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.lab-cobra.fr/laboratoire/batiment</ref>
          </desc>
          <listRelation>
            <relation active="#struct-300318" type="direct"/>
            <relation active="#struct-455934" type="indirect"/>
            <relation active="#struct-301288" type="direct"/>
            <relation active="#struct-301232" type="indirect"/>
            <relation active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-300318" status="VALID">
          <idno type="IdRef">026403919</idno>
          <idno type="ISNI">0000000121083034</idno>
          <idno type="ROR">https://ror.org/03nhjew95</idno>
          <orgName>Université de Rouen Normandie</orgName>
          <orgName type="acronym">UNIROUEN</orgName>
          <date type="start">1966-01-01</date>
          <desc>
            <address>
              <addrLine>1, rue Thomas Becket 76821 Mont-Saint-Aignan Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-rouen.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-455934" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-455934" status="VALID">
          <idno type="IdRef">190906332</idno>
          <idno type="ISNI">0000000417859671 </idno>
          <idno type="ROR">https://ror.org/01k40cz91</idno>
          <orgName>Normandie Université</orgName>
          <orgName type="acronym">NU</orgName>
          <date type="start">2015-01-01</date>
          <desc>
            <address>
              <addrLine>Esplanade de la Paix - CS 14032 - 14032 Caen Cedex 5</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.normandie-univ.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-301288" status="VALID">
          <idno type="IdRef">033364346</idno>
          <idno type="ISNI">0000000121908462</idno>
          <idno type="ROR">https://ror.org/020ws7586</idno>
          <orgName>Institut national des sciences appliquées Rouen Normandie</orgName>
          <orgName type="acronym">INSA Rouen Normandie</orgName>
          <date type="start">1985-01-01</date>
          <desc>
            <address>
              <addrLine>Avenue de l’Université 76801 Saint-Étienne-du-Rouvray Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.insa-rouen.fr</ref>
          </desc>
          <listRelation>
            <relation active="#struct-301232" type="direct"/>
            <relation active="#struct-455934" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-301232" status="VALID">
          <idno type="IdRef">162105150</idno>
          <orgName>Institut National des Sciences Appliquées</orgName>
          <orgName type="acronym">INSA</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
        <org type="regrouplaboratory" xml:id="struct-302261" status="VALID">
          <idno type="RNSR">200810697X</idno>
          <orgName>Institut Normand de Chimie Moléculaire Médicinale et Macromoléculaire</orgName>
          <orgName type="acronym">INC3M</orgName>
          <date type="start">2008-01-01</date>
          <desc>
            <address>
              <addrLine>Rue Tesnière76821 MONT ST AIGNAN CEDEX</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.lcmt.ensicaen.fr/federation-inc3m/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-7127" type="direct"/>
            <relation active="#struct-455934" type="indirect"/>
            <relation active="#struct-246955" type="direct"/>
            <relation active="#struct-300317" type="direct"/>
            <relation active="#struct-300318" type="direct"/>
            <relation active="#struct-301288" type="direct"/>
            <relation active="#struct-301232" type="indirect"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="FR3038" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-7127" status="VALID">
          <idno type="IdRef">026403064</idno>
          <idno type="ISNI">0000000121864076</idno>
          <idno type="ROR">https://ror.org/051kpcy16</idno>
          <orgName>Université de Caen Normandie</orgName>
          <orgName type="acronym">UNICAEN</orgName>
          <date type="start">1432-01-01</date>
          <desc>
            <address>
              <addrLine>Esplanade de la Paix - CS 14032 - 14032 CAEN Cedex 5</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.unicaen.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-455934" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-246955" status="VALID">
          <idno type="IdRef">190907991</idno>
          <idno type="ROR">https://ror.org/01fpqqe90</idno>
          <orgName>École Nationale Supérieure d'Ingénieurs de Caen</orgName>
          <orgName type="acronym">ENSICAEN</orgName>
          <desc>
            <address>
              <addrLine>6, Boulevard du Maréchal Juin CS 45053 14050 CAEN cedex 04</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.ensicaen.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-455934" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-300317" status="VALID">
          <idno type="IdRef">031308570</idno>
          <idno type="ISNI">0000000121731046</idno>
          <idno type="ROR">https://ror.org/05v509s40</idno>
          <orgName>Université Le Havre Normandie</orgName>
          <orgName type="acronym">ULH</orgName>
          <date type="start">1984-08-27</date>
          <desc>
            <address>
              <addrLine>25 rue Philippe Lebon - BP 1123 - 76063 Le Havre Cedex France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.univ-lehavre.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-455934" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-341038" status="VALID">
          <idno type="IdRef">232435103</idno>
          <idno type="ISNI">000000010626358X</idno>
          <idno type="ROR">https://ror.org/02cte4b68</idno>
          <orgName>Institut de Chimie - CNRS Chimie</orgName>
          <orgName type="acronym">INC-CNRS</orgName>
          <date type="start">2009-10-01</date>
          <desc>
            <address>
              <addrLine>CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE3 rue Michel-Ange75794 PARIS CEDEX 16 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cnrs.fr/inc</ref>
          </desc>
        </org>
      </listOrg>
      <listOrg type="projects">
        <org type="anrProject" xml:id="projanr-25520" status="VALID">
          <idno type="anr">ANR-11-LABX-0029</idno>
          <orgName>SYNORG</orgName>
          <desc>Synthèse Organique : des molécules au vivant</desc>
          <date type="start">2011</date>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>