Exploring Gas-Phase MS Methodologies for Structural Elucidation of Branched N -Glycan Isomers.
Irina OganesyanJoanna HajdukJulian A HarrisonAdrien MarchandMartin F CzarRenato ZenobiPublished in: Analytical chemistry (2022)
Structural isomers of N -glycans that are identical in mass and atomic composition provide a great challenge to conventional mass spectrometry (MS). This study employs additional dimensions of structural elucidation including ion mobility (IM) spectroscopy coupled to hydrogen/deuterium exchange (HDX) and electron capture dissociation (ECD) to characterize three main A2 N -glycans and their conformers. A series of IM-MS experiments were able to separate the low abundance N -glycans and their linkage-based isomers (α1-3 and α1-6 for A2G1). HDX-IM-MS data indicated the presence of multiple gas-phase structures for each N -glycan including the isomers of A2G1. Identification of A2G1 isomers by their collision cross section was complicated due to the preferential collapse of sugars in the gas phase, but it was possible by further ECD fragmentation. The cyclic IM-ECD approach was capable of assigning and identifying each isomer to its IM peak. Two unique cross-ring fragments were identified for each isomer: m / z = 624.21 for α1-6 and m / z = 462.16 for α1-3. Based on these key fragments, the first IM peak, indicating a more compact conformation, was assigned to α1-3 and the second IM peak, a more extended conformer, was assigned to α1-6.
Keyphrases
- mass spectrometry
- cell surface
- multiple sclerosis
- high resolution
- liquid chromatography
- ms ms
- high performance liquid chromatography
- gas chromatography
- capillary electrophoresis
- electronic health record
- machine learning
- genome wide
- hepatitis c virus
- wastewater treatment
- microbial community
- antibiotic resistance genes
- data analysis
- crystal structure
- human immunodeficiency virus
- electron microscopy