Heavily Fragmented Molecular Emissions

Assignment of peaks thus becomes increasingly difficult particularly when analyzing unknown organics. Until recently, molecular identification from such complex spectra was almost exclusively carried out using pattern recognition procedures. In such cases, preexisting spectral libraries prove useful. 

The introduction of the G-SIMS approach, applied by itself or in combination with Fragmentation Pathway Mapping (FPM) and Simplified Molecular Input Line Entry Specification (SMILES), has, however, opened up the possibility of understanding the various fragment pathways and matching SIMS spectra collected under different analytical conditions. 

As the degree of fragmentation is primarily a function of the primary ion momenta (all other parameters are kept constant), a methodology was developed by which mass spectra from primary ions of different momenta are acquired in 

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Use of algorithms that relay molecular fragmentation pathways (this applies to heavily fragmented molecular secondary ion emissions)... 

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