All Stories

  1. Advances in LC: bioanalytical method transfer
  2. Predicting collision-induced dissociation mass spectra: understanding the role of the mobile proton in small molecule fragmentation
  3. Can computational chemistry be used to predict CID fragmentation of anions?
  4. How useful is molecular modelling in combination with ion mobility mass spectrometry for ‘small molecule’ ion mobility collision cross-sections?
  5. Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation
  6. 3D thinking: computational aids for the bioanalyst
  7. Understanding collision-induced dissociation of dofetilide: a case study in the application of density functional theory as an aid to mass spectral interpretation
  8. The low-energy collision-induced dissociation product ion spectra of protonated beta-blockers reveal an analogy to fragmentation behaviour under electron ionisation conditions
  9. Metabolite identification by mass spectrometry: forty years of evolution
  10. Looking back through the MIST: a perspective of evolving strategies and key focus areas for metabolite safety analysis
  11. Using density functional theory to rationalise the mass spectral fragmentation of maraviroc and its metabolites
  12. A Rapid Methodology for the Characterization of Dialkyl Tertiary Amine- N -Oxide Metabolites Using Structurally Dependent Dissociation Pathways and Reconstructed Ion Current Chromatograms
  13. Evidence for site-specific intra-ionic hydrogen/deuterium exchange in the low-energy collision-induced dissociation product ion spectra of protonated small molecules generated by electrospray ionisation
  14. Chapter 4. Primary, Secondary and Tertiary Amines and their Isosteres
  15. A Holistic Strategy for Characterizing the Safety of Metabolites through Drug Discovery and Development
  16. Can density functional theory (DFT) be used as an aid to a deeper understanding of tandem mass spectrometric fragmentation pathways?
  17. SAR of a series of inhaled A2A agonists and comparison of inhaled pharmacokinetics in a preclinical model with clinical pharmacokinetic data
  18. High‐throughput approaches towards the definitive identification of pharmaceutical drug metabolites. 2. An example of how unexpected dissociation behaviour could preclude correct assignment of sites of metabolism
  19. Metabolite quantitation: detector technology and MIST implications
  20. High‐throughput approaches towards the definitive identification of pharmaceutical drug metabolites. 1. Evidence for anorthoeffect on the fragmentation of 4‐benzenesulfinyl‐3‐methylphenylamine using electrospray ionisation mass spectrometry
  21. Evolution of an open-access quantitative bioanalytical mass spectrometry service in a drug discovery environment
  22. Characterisation of sulphoxides by atmospheric pressure ionisation mass spectrometry
  23. Pharmacokinetics and metabolism of a selective PDE5 inhibitor (UK-343,664) in rat and dog
  24. Direct analysis of crude plasma samples by turbulent flow chromatography/tandem mass spectrometry
  25. Pharmacokinetics and metabolism of sildenafil in mouse, rat, rabbit, dog and man
  26. Chlorpromazine inhibition of melatonin metabolism by normal and induced rat liver microsomes