title: Evaluation of the uncertainty of molecular mass measurement by electrospray ionization mass spectrometry.
abstract: Electrospray ionization (ES) is a novel method used in mass spectrometry (MS) for producing gas-phase ions from substances in solutions. Common practices for molecular mass estimation from ES spectra summarize the spectrum as a single peak giving no estimate of uncertainty or treat each peak as an independent molecular mass measurement. ES-MS data analysis showed that each peak in an ES spectrum does not always provide an independent measure of molecular mass. Underestimation of measurement uncertainty is a possible result. An elementary time series method, the Yule-Walker equations, was applied to molecular mass estimation from ES data.
authors.affiliation: Department of Biometrics, Parke-Davis Pharmaceutical Research, Division of Warner-Lambert Company, Ann Arbor, Michigan 48105, USA.
authors.forename: P L
authors.initials: PL
authors.lastname: Juneau
authors.forename: A B
authors.initials: AB
authors.lastname: Giordani
authors.forename: D A
authors.initials: DA
authors.lastname: Pyne
mesh_terms: D000818:Animals; D002627:Chemistry, Physical / Q000379:methods*; D006736:Horses; D016014:Linear Models; D013058:Mass Spectrometry / Q000379:methods*; D008970:Molecular Weight; D009206:Myocardium / Q000737:chemistry; D009211:Myoglobin / Q000737:chemistry; D013223:Statistics as Topic / Q000379:methods*
chemical_list: D009211:Myoglobin