title: A library of atmospheric pressure ionization daughter ion mass spectra based on wideband excitation in an ion trap mass spectrometer.
abstract: A searchable library of MS/MS spectra obtained using a quadrupole ion trap mass spectrometer and electrospray or atmospheric pressure chemical ionization is presented. The application of wideband excitation (activation) and normalized collision energy leads to highly reproducible mass spectra which are searched using the NIST algorithm. Flow injection and LC/MS/MS applications of this powerful technique in the biomedical (diastereoisomeric steroids, morphine glucuronides, isovalerylcarnitine) and environmental (pirimicarb and desmethyl-pirimicarb) areas are described.
authors.affiliation: Bioanalytical Services Unit, Centre for Chemical Sciences, Royal Holloway University of London, Egham, Surrey TW20 0EX, UK.
authors.forename: C
authors.initials: C
authors.lastname: Baumann
authors.forename: M A
authors.initials: MA
authors.lastname: Cintora
authors.forename: M
authors.initials: M
authors.lastname: Eichler
authors.forename: E
authors.initials: E
authors.lastname: Lifante
authors.forename: M
authors.initials: M
authors.lastname: Cooke
authors.forename: A
authors.initials: A
authors.lastname: Przyborowska
authors.forename: J M
authors.initials: JM
authors.lastname: Halket
mesh_terms: D000465:Algorithms; D001274:Atmospheric Pressure; D002219:Carbamates / Q000032:analysis / Q000737:chemistry; D016208:Databases, Factual; D020719:Glucuronides / Q000032:analysis / Q000737:chemistry; D007306:Insecticides / Q000032:analysis / Q000737:chemistry; D013058:Mass Spectrometry; D015394:Molecular Structure; D009020:Morphine / Q000032:analysis / Q000737:chemistry; D011743:Pyrimidines; D013237:Stereoisomerism; D013256:Steroids / Q000032:analysis / Q000737:chemistry
chemical_list: D002219:Carbamates; D020719:Glucuronides; D007306:Insecticides; D011743:Pyrimidines; D013256:Steroids; C011994:pirimicarb; D009020:Morphine