What type of study is this?

This is a Quantitative Study study.

September 28, 2025Open Access

Integrating Ion Mobility–Resolved Tandem Mass Spectrometry and Microcrystal Electron Diffraction for Structural Elucidation

Puntos clave

Ion mobility-resolved mass spectrometry can yield high-quality structural information at sub-µg quantities.
Experimental results indicate that structural insights from IMS-HRMS-MS/MS are comparable to those from MicroED.
The proposed integrated pipeline leverages strengths from both ion mobility and electron diffraction techniques.
This research highlights the effectiveness of combining analytical methods for better material characterization.

Resumen

We analyzed a synthetic mixture at the sub-µg scale using an integrated strategy that combined high-resolution mass spec-trometry (HRMS), ion mobility spectrometry (IMS), tandem mass spectrometry (MS/MS), collision cross-section (CCS) and fragmentation pathway modelling, together with microcrystal electron diffraction (MicroED). We demonstrate that ion mobility-resolved MS/MS (IMS-HRMS-MS/MS) experiments can generate detailed structural information, which, when pro-cessed with accurate fragmentation chemistry and CCS predictors applied to plausible reaction products, can be used for robust structural elucidation for material of sub-µg quantity. The structural insights obtained from IMS-HRMS-MS/MS are comparable in quality to those from MicroED performed also at the sub-µg scale, and the two techniques provide complementary information. A pipeline is proposed that integrates IMS-HRMS-MS/MS and MicroED, leveraging the strengths of each technique in a synergistic manner

Leer artículo completoexternamente

Preguntar a la IA

Me gusta

Guardar

Ver artículo completo