{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T20:59:15Z","timestamp":1789765155153,"version":"4.0.1"},"reference-count":41,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2025,11,16]],"date-time":"2025-11-16T00:00:00Z","timestamp":1763251200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["SFB 1076"],"award-info":[{"award-number":["SFB 1076"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["BO 1910\/20"],"award-info":[{"award-number":["BO 1910\/20"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Rapid Comm Mass Spectrometry"],"published-print":{"date-parts":[[2026,2,15]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:sec>\n                    <jats:title>Rationale<\/jats:title>\n                    <jats:p>\n                      Direct infusion mass spectrometry (DI\u2010MS) is a rapid analytical technique widely used in omics research and other fields. However, the complexity of DI\u2010MS spectra frequently leads to co\u2010fragmentation of analytes with similar\n                      <jats:italic>m\/z<\/jats:italic>\n                      , resulting in chimeric fragmentation spectra that complicate compound identification. A DI\u2010based tandem mass spectrometric method (DI\u2010MS2), which modulates the intensity of precursors and fragments by the stepwise movement of the quadrupole isolation window, has been shown to successfully deconvolute chimeric fragmentation spectra. Yet, its applicability to different instruments and optimisation has not been evaluated.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Method<\/jats:title>\n                    <jats:p>\n                      We evaluate the performance of DI\u2010MS2 on two high\u2010resolution instruments: a linear ion trap\u2010Orbitrap (LIT\u2010Orbitrap) and a quadrupole\u2010Orbitrap (Q\u2010Orbitrap). We examined the impact of six instrumental settings, including mass resolving power, isolation window width, step size between MS2 scans, number of microscans, collision energy and automatic gain control (AGC) target, on the analysis of isobaric mixtures with varying\n                      <jats:italic>m\/z<\/jats:italic>\n                      differences.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>\n                      The LIT\u2010Orbitrap consistently achieved high\u2010quality chimeric spectra deconvolution with an average similarity score of 0.98 despite unexpected intensity modulation patterns. The Q\u2010Orbitrap provided four times faster measurements but showed more variable results: It achieved a similarity score of 0.96 for isobars with a\n                      <jats:italic>m\/z<\/jats:italic>\n                      difference larger than 0.02, but only 0.56 for\n                      <jats:italic>m\/z<\/jats:italic>\n                      differences of 0.006.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusions<\/jats:title>\n                    <jats:p>These findings indicate that the DI\u2010MS2 is a robust and flexible method applicable across different MS platforms, though the Q\u2010Orbitrap may be less suited for highly complex samples with multiple peaks per nominal mass. This highlights the potential of the DI\u2010MS2 for structural elucidation of complex biological mixtures. Additionally, we provide initial setting optimisation guidelines to improve spectra deconvolution and measurement speed.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/rcm.10170","type":"journal-article","created":{"date-parts":[[2025,11,17]],"date-time":"2025-11-17T05:34:37Z","timestamp":1763357677000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Enhancing Chimeric Fragmentation Spectra Deconvolution Using Direct Infusion\u2013Tandem Mass Spectrometry Across High\u2010Resolution Mass Spectrometric Platforms"],"prefix":"10.1002","volume":"40","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0591-9334","authenticated-orcid":false,"given":"Arina","family":"Ivanova","sequence":"first","affiliation":[{"name":"Department of Biogeochemical Processes Max Planck Institute for Biogeochemistry  Jena Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Tang","sequence":"additional","affiliation":[{"name":"Chair for Bioinformatics Friedrich Schiller University Jena  Jena Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carsten","family":"Simon","sequence":"additional","affiliation":[{"name":"Department of Biogeochemical Processes Max Planck Institute for Biogeochemistry  Jena Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kai","family":"D\u00fchrkop","sequence":"additional","affiliation":[{"name":"Chair for Bioinformatics Friedrich Schiller University Jena  Jena Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sebastian","family":"B\u00f6cker","sequence":"additional","affiliation":[{"name":"Chair for Bioinformatics Friedrich Schiller University Jena  Jena Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4616-0953","authenticated-orcid":false,"given":"Gerd","family":"Gleixner","sequence":"additional","affiliation":[{"name":"Department of Biogeochemical Processes Max Planck Institute for Biogeochemistry  Jena 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