title: Investigation into the factors affecting accuracy of mass measurements on a time-of-flight mass spectrometer using Design of Experiment.
abstract: The results of an investigation of the parameters which have the most significant effect on the accuracy of mass measurements on a quadrupole orthogonal acceleration time-of-flight mass spectrometer (q-oaToF) are reported. The influence of eight factors is investigated: ion abundances of reference and analyte compounds, mass difference between analyte and reference compounds, quality of calibration, number of reference acquisitions averaged and TDC (time-to-digital converter) settings (resolution, Np multiplier (number of pushes correction factor), minimum number of points, i.e. minimum acquisition width which defines a peak). To extract the maximum information from as few experiments as possible, a Design of Experiment approach was used. The data will be used as a basis for developing guidance on accurate mass measurement on q-oaToF instruments.
authors.affiliation: Analytical Sciences, GlaxoSmithKline, Gunnels Wood Road, Stevenage SG1 2NY, UK. alice.2.laures@gsk.com
authors.forename: Alice M-F
authors.initials: AM
authors.lastname: Laures
authors.forename: Jean-Claude
authors.initials: JC
authors.lastname: Wolff
authors.forename: Christine
authors.initials: C
authors.lastname: Eckers
authors.forename: Phil J
authors.initials: PJ
authors.lastname: Borman
authors.forename: Marion J
authors.initials: MJ
authors.lastname: Chatfield
mesh_terms: D006635:Histamine H2 Antagonists / Q000737:chemistry*; D011899:Ranitidine / Q000737:chemistry*; D015203:Reproducibility of Results; D012107:Research Design; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D006635:Histamine H2 Antagonists; D011899:Ranitidine