title: The rapid characterisation of poly(ethylene glycol) oligomers using desorption electrospray ionisation tandem mass spectrometry combined with novel product ion peak assignment software.
abstract: A rapid method for the characterisation of polyglycol esters and ethers is described which uses accurate mass desorption electrospray ionisation (DESI) quadrupole time-of-flight mass spectrometry (Q-ToFMS). The results are combined with newly developed software which aids the interpretation of product ions produced using collision-induced dissociation (CID) of selected precursor ions. The poly(ethylene glycol) (PEG) samples analysed were PEG dibenzoate, PEG monooleate, PEG butyl ether, PEG bis(2-ethyl hexanoate) and PEG diacrylate. Lithium metal was used for cationisation of the PEG oligomers since it yielded the most useful structural information compared with other group I metals. The full scan mass spectra and product ion mass spectra were all obtained in <5 s. Interpretation of the MS/MS product ion spectra, using the product ion interpretation software which incorporates previously developed fragmentation rules, was carried out in <1 s.
authors.affiliation: Department of Biological Sciences, University of Warwick, Gibbet Hill Rd., Coventry CV4 7AL, UK. j.p.williams@warwick.ac.uk
authors.forename: Jonathan P
authors.initials: JP
authors.lastname: Williams
authors.forename: Gillian R
authors.initials: GR
authors.lastname: Hilton
authors.forename: Konstantinos
authors.initials: K
authors.lastname: Thalassinos
authors.forename: Anthony T
authors.initials: AT
authors.lastname: Jackson
authors.forename: James H
authors.initials: JH
authors.lastname: Scrivens
mesh_terms: D007202:Indicators and Reagents; D007536:Isomerism; D008670:Metals / Q000737:chemistry; D011092:Polyethylene Glycols / Q000032:analysis*; D012984:Software; D012997:Solvents; D021241:Spectrometry, Mass, Electrospray Ionization; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization; D053719:Tandem Mass Spectrometry
chemical_list: D007202:Indicators and Reagents; D008670:Metals; D012997:Solvents; D011092:Polyethylene Glycols