MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14362/m_MTBLS14362_FIA-MS_positive__v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14362/s_MTBLS14362.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14362/a_MTBLS14362_FIA-MS_positive_.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14362/i_Investigation.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14362<p>We developed an in-house processing pipeline for the untargeted data processing of the converted mzML files.</p>MetaboLightsPublicFlow injection analysis MS - positiveMetaboFIMS: An automated workflow for fast and sensitive metabolic screening of large patient cohorts.Fabian Constantin SchmittUniversity Medical Center of the Johannes Gutenberg University Mainz<p>We used the Agilent 1290 Infinity II LC for FI-MS by bridging the column department using a connector.</p>blood plasmasolventmass spectrometry assay<p>In brief a standard methanol extraction was used.</p>blankSRM (human)https://www.ebi.ac.uk/metabolights/MTBLS14362Fabian Constantin Schmitt. schmittf@uni-mainz.de.Thierry Schmidlin. University Medical Center of the Johannes Gutenberg University Mainz. schmidlt@uni-mainz.de.<p>We used ProteoWizard MSConvert for conversion of Sciex vendor format .wiff2 to either mzML or mzXML.</p>Spray temperatureSpray voltageSolvent conditionschmittf@uni-mainz.de<p>NIST SRM 1950 was bought and used for method development of the FI-MS pipeline.</p>MetabolomicsMetabolomicsuntargeted analysisFlow Injection Analysissolvent blankZenoTOF 7600SRM (human)experimental sampleuntargeted metabolite profilingdata processing softwareblood plasmaexperimental blankSolventSCIEXMetabolomicsuntargeted analysisFlow Injection Analysissolvent blankZenoTOF 7600SRM (human)experimental sampleuntargeted metabolite profilingdata processing softwareblood plasmaexperimental blankSCIEXSolvent<p>A Sciex ZenoTOF 7600 was used for MS1 only acquisition of FI-MS data.</p>TaurineLysineglutamineSEE XLSXfalseMetaboFIMS: An automated workflow for fast and sensitive metabolic screening of large patient cohortsDevelopment of a fully untargeted FI-MS processing pipeline.2026-04-242026-04-24MTBLS14362MTBLC28300MTBLC25094MTBLC15891CHEBI:28300CHEBI:25094CHEBI:15891