Revealing misannotated electrospray ionization artifacts: A systematic pipeline for heterodimer detection in untargeted metabolomics
Heterodimers are non-covalent adducts formed between two co-eluting molecules during electrospray ionization (ESI). Despite their frequent occurrence in MS-based untargeted metabolomics and lipidomics analysis, these artifacts are often misinterpreted as genuine metabolites or entirely overlooked, l...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2026 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/424956 |
| Acceso en línea: | http://hdl.handle.net/10261/424956 |
| Access Level: | acceso abierto |
| Palabra clave: | Electrospray ionization artifacts Untargeted datasets Heterodimers CE-MS and LC-MS Misannotation Dark metabolome Lipidomics |
| Sumario: | Heterodimers are non-covalent adducts formed between two co-eluting molecules during electrospray ionization (ESI). Despite their frequent occurrence in MS-based untargeted metabolomics and lipidomics analysis, these artifacts are often misinterpreted as genuine metabolites or entirely overlooked, leading to inflated feature counts, compromised annotation accuracy, and contributing to the so-called dark metabolome. |
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