Routine data-independent analysis using a novel ion mobility enabled mass spectrometric platform allows increased confidence in component detection, structural characterization, and better definition of component origin or metabolite hierarchy. By using the routine ion mobility (size-and-shape) separation and automatic generation of precise collision cross section (CCS) values, together with accurate-mass detection, this workflow-guided approach allows for more confident metabolite detection and characterization in complex matrices – especially at trace levels – while giving the biotransformation expert the flexibility to ask complex questions of the data.
What will you learn?
- How routine ion mobility provides cleaner data, enabling more confident structural characterization
- How routine measurement of the size-and-shape of an ion (collision cross section, CCS) enables RT-independent metabolite tracking across species
- How the use of data-independent scan routines allows legacy data to be reinterrogated across the development timescale, as the scientific question changes, while retaining the inherent benefits of CCS
- How these non-targeted mobility-aligned data can reduce both false-positive and false-negative reporting rates
- How mobility-aligned data and conservative fragmentation algorithms can assist skilled biotransformation scientists in reducing non-value added tasks, such as tracking in-source fragments, allowing a sustained focus on wider, more challenging problems
Who may this interest?
- Biotransformation scientists
- Metabolite profilling scientists
- DMPK mass spectrometrists
- DMPK project leaders
Unilabs York Bioanalytical Solutions
Jan Boerma studied Pharmaceutical Sciences and completed his PhD in Molecular Toxicology at the VU University in Amsterdam (the Netherlands). His doctoral work focused on the use of Glutathione-S-Transferases as tools and targets for the characterisation of chemically reactive drug metabolites. Continuing his interest in drug metabolism he then joined Unilabs York Bioanalytical Solutions, a contract research organisation, in Sandwich (UK) as a Biotransformation Scientist. He is currently performing metabolism studies in support of discovery (e.g. soft spot analysis) and development projects (e.g. radiolabelled ADME and MIST studies).
Principal Applications Chemist, Mass Spectrometry
Dan Weston has over 20 years experience in mass spectrometry, the majority of which has been gained using LC–MS/MS within the pharmaceutical industry, where he focused on metabolite characterisation for drug discovery (Schering-Plough, USA), drug development and human safety (AstraZeneca, UK). During this time, he also fostered successful collaborations and post-graduate research studentship for complex pharmaceutical analysis using high-resolution mass spectrometry with ion mobility and ambient ionisation techniques. Dan joined Waters in 2014 as a Principal Scientist in the European Applications Laboratory (Wilmslow, UK), where his main roles include driving scientific strategy and value-led collaborations, both across the Waters business and with key industrial peer-groups.
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