Cang-Song Liao

Feature-Based Analysis of MS2 Data Reveals a Skeleton-Level Chemical Space and Enables Discovery of Sesquiterpenes with Unprecedented Skeletons.

Natural products bearing novel skeletons expand accessible chemical space and may inspire future biological discovery, yet their identification still relies largely on chance. This limitation stems largely from prevailing strategies for representing and interpreting MS2 data and not simply from spectral quality or algo...