title: Prediction of isotope patterns for partially deuterated analytes in HPLC/MS.
abstract: A probability model is given which accurately predicts the electrospray mass patterns of substance P arising from full or incomplete deuterium exchange in solution. For accurate determination of the number of exchangeable protons the solvent should have a deuterium purity of at least 98%. At 25 degrees C several minutes are required before the degree of exchange reaches the equilibrium value.
authors.affiliation: Analytical Development, LG18 Laboratory Block, PAR&D, AstraZeneca, Silk Road Business Park, Macclesfield, Cheshire SK10 2NA, UK. stephen.wren@astrazeneca.com
authors.forename: S A C
authors.initials: SA
authors.lastname: Wren
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods; D003903:Deuterium / Q000032:analysis* / Q000737:chemistry*; D013058:Mass Spectrometry / Q000379:methods; D008956:Models, Chemical; D011237:Predictive Value of Tests; D011336:Probability; D013373:Substance P / Q000032:analysis
chemical_list: D013373:Substance P; D003903:Deuterium