A-SIMA (Advanced-Software for Interactive Metabolite Analysis) – an easy-to-use program designed to perform metabolite identification on multidimensional NMR data. 

• Users can perform NMR metabolite identification on

  • 1D 1H

  • 1D 13C

  • 1D data stack

  • 2D 1H,13C-HSQC

  • 2D 1H, 1H TOCSY 

  • 2D 1H, 1H COSY data

• HSQCcos incorporation for identifying origin of selected peak and extract signals likely from same compound

• Uses MetaLib for identification

• There are two modes offered:

  • “Computer Assisted”

    • Selected peaks queried against BMRB to produce a result list of potential candidates

  • “User Based”

    • Straightforward interface for easy navigation in MetaLib