About this role
2025-2030 Focus: Advance the scientific development, evaluation, and application of digital reference standards (dRS), including expansion into mass spectrometry (MS). Discuss and establish scientifically sound approaches for creating, curating, validating, and applying MS-based digital reference data for compendial identification and other pharmaceutical applications
2025-2030 Key Issues:
- Evaluating spectral matching and identification algorithms, including appropriate similarity criteria and performance expectations.
- Assessing the impact of instrument platforms, acquisition conditions, and inter-laboratory variability on digital reference data.
- Evaluating and developing approaches for curation, validation, and independent evaluation of reference spectral libraries.
- Expanding dRS applications beyond NMR, particularly to mass spectrometry, and identifying appropriate USP use cases.
- Exploring applications such as USP <467> residual solvents, pesticides associated with USP <561>, natural products, and extractables/leachables, which were specifically discussed with NIST.
Required Expertise
- Mass spectrometry, including GC-MS and LC-MS/MS.
- Development and curation of mass spectral reference libraries/databases.
- Reference data quality assurance, validation, and scientific review.
- Chemical identity verification, including molecular structures, stereochemistry, naming, and chemical metadata.
- Spectral library searching, similarity assessment, and compound identification.
- Scientific software and computational approaches used to evaluate analytical data.
- Understanding of standard reference data, data integrity, metrology, and reference materials.
- Experience translating high-quality scientific reference data into practical analytical applications.