Automating data analysis for hydrogen/deuterium exchange mass spectrometry using data-independent acquisition methodology.

ABSTRACT: We present a hydrogen/deuterium exchange workflow coupled to tandem mass spectrometry (HX-MS²) that supports the acquisition of peptide fragment ions alongside their peptide precursors. The approach enables true auto-curation of HX data by mining a rich set of deuterated fragments, generated by collisional-induced dissociation (CID), to simultaneously confirm the peptide ID and authenticate MS¹-based deuteration calculations. The high redundancy provided by the fragments supports a confidence assessment of deuterium calculations using a combinatorial strategy. The approach requires data-independent acquisition (DIA) methods that are available on most MS platforms, making the switch to HX-MS² straightforward. Importantly, we find that HX-DIA enables a proteo

SUBMITTER: Filandr F 

PROVIDER: S-EPMC10928179 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature