x-MSI

This study developed an open-source method, x-dimensional mass spectrometry imaging (MSI(x)), to explore high-order spatial metabolomics that cannot be presented by any single ion image. The MSI(x) can directly translate the mass spectrum into interpretable biological information including metabolic function, pathway, species, or biotransformation. These spatially resolved high-order metabolomics information enable the discovery of the region with therapeutic or side effects, evaluation of the physiological status, investigation on the tumor’s heterogeneous response, and even localization of possible drug target. We anticipate MSI(x) to be broadly used for not only evaluating a drug candidate’s therapeutic and adverse effect but also gaining insight into the molecular mechanism at the early stage of drug research and development.