DGet! An open source deuteration calculator for mass spectrometry data.

ABSTRACT: DGet! is an open-source analysis package written in Python for calculating the degree of deuterium enrichment in isotopically labelled molecules using mass spectrometric data. The nuclear properties of deuterium make it a valuable tracer in metabolic studies and an excellent contrast agent in nuclear spectroscopies. Determination of molecular deuteration levels is typically performed using mass spectrometry, however software options to perform these calculations are scarce. The in-house scripts and spreadsheets currently used rarely account for isotopic interferences from ¹³C or multi-isotopic elements that impact deuteration calculations. DGet! removes isotopic interferences using de-convolution and both the isotopological makeup and overall deuteration level can be accurately

SUBMITTER: Lockwood TE 

PROVIDER: S-EPMC10976818 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature