Data analysis in applications of chromatography coupled with mass spectrometry and ion mobility spectrometry
This chapter explores the data processing methodologies essential for leveraging the synergy between chromatography, mass spectrometry (MS), and ion mobility spectrometry (IMS) in analytical applications. In this overview, we encompass the entire processing pipeline, starting from the acquisition an...
| Autores: | , , |
|---|---|
| Tipo de recurso: | otro |
| Estado: | Versión aceptada para publicación |
| 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:10261/418822 |
| Acceso en línea: | http://hdl.handle.net/10261/418822 https://api.elsevier.com/content/abstract/scopus_id/105029204514 |
| Access Level: | acceso embargado |
| Palabra clave: | Multivariate analysis Data processing Feature extraction Hyphenated techniques Ion mobility Mass spectrometry http://metadata.un.org/sdg/12 http://metadata.un.org/sdg/9 http://metadata.un.org/sdg/6 http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all Build resilient infrastructure, promote inclusive and sustainable industrialization and foster innovation Ensure sustainable consumption and production patterns |
| Sumario: | This chapter explores the data processing methodologies essential for leveraging the synergy between chromatography, mass spectrometry (MS), and ion mobility spectrometry (IMS) in analytical applications. In this overview, we encompass the entire processing pipeline, starting from the acquisition and management of raw data generated by these hyphenated techniques, through to the final stages of quantitation and annotation. We concentrate on delineating the challenges posed by complex datasets and the methodologies employed for feature extraction, followed by their multivariate analysis. Moreover, the chapter explores diverse approaches for annotating unknown compounds, exploiting the latest advancements in the field, and capitalizing on the complementary information offered by MS and IMS. Case studies exemplifying the application of these techniques in various analytical domains underscore their efficacy in enhancing sensitivity, selectivity, and overall analytical performance. This comprehensive overview serves as a valuable resource for researchers and practitioners seeking to harness the full potential of hyphenated chromatography with MS and IMS for data-driven insights in analytical chemistry. |
|---|