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.LIBRARY OF API-MS/MS SPECTRA FROM WIDEBAND EXCITATION Figure 7. (a) Electrospray MS/MS spectrum (m/z 260→) obtained from a single 2.5 pg (5 mL of a 0.5 pg/mL solution) flow injection of propranolol (50% collision energy, wideband on), (b) library spectrum, and (c) partial report obtained after matching this spectrum against a mixed library of over 3000 EI-and API-MS/MS spectra.
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.
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