HRMS: Current usage, future directions and the promise of integration with unified data streams suited to post-acquisition mining

摘要

Modern TOF and Orbitrap-based mass analyzers have made the acquisition of LC-high resolution MS (HRMS) datasets routine. These datasets are uniquely suited for combined qualitative-quantitative analysis. The potential for using this technology to foster tightly integrated workflows, data interpretation and a more holistic approach to absorption/distribu-tion/metabolism/excretion/toxicity (ADMET) science is presented. Consideration is given not only to the scientific and technological aspects, but also to the organizational barriers that will need to be navigated in order to achieve wider implementation.