title: [A new software method for accurate mass measurements of drugs on unit mass resolution mass spectrometer].
abstract: Accurate mass measurements of 20 drugs were conducted using MassWorks software on a TSQ Quantum Ultra mass spectrometer. All Q1 scan mass spectral data were collected in profile mode with full width at half-maximum (FWHM) set at 0.7 Da. The mass errors of all 20 drugs (molecular weight between 135 and 810) were within the range from -22.4 x 10(-6) to 36. 1 x 10(-6), among them 90% of the drugs achieved a mass accuracy better than 10 x 10(-6). The new method can provide accurate mass measurements on unit mass resolution mass spectrometers.
authors.affiliation: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
authors.forename: Ke
authors.initials: K
authors.lastname: Liu
authors.forename: Bin
authors.initials: B
authors.lastname: Ma
authors.forename: Yong-dong
authors.initials: YD
authors.lastname: Wang
authors.forename: Xiao-yan
authors.initials: XY
authors.lastname: Chen
authors.forename: Da-fang
authors.initials: DF
authors.lastname: Zhong
mesh_terms: D008970:Molecular Weight; D004364:Pharmaceutical Preparations / Q000032:analysis*; D012984:Software; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D004364:Pharmaceutical Preparations