Fragmentation map

MS/MS spectra with those from known biologically active standards. Thus, previously identified components are rapidly eliminated and do not require time-consuming structure elucidation studies. The savings of effort allow researchers to focus efforts on novel chemistries. Samples of novel compounds can then be infused into an ion trap mass spectrometer, and a multiple stage mass analysis (MS ) fragmentation map is generated. 

The future holds the promise that GC/MS and LC/ MS experiments (with accurate mass measured MS/ MS fragmentation maps) in combination with LC/ NMR (in spite of its current limitations) will be in routine use for trace level impurity structure elucidation in the pharmaceutical industry. 

Gilli, G., Bertolasi, V., Bellucci, F., and Ferretti, V. Stereochemistry of the Ri(X=)C(sp )R2R3 fragment. Mapping of the cis-trans isomerization path by rotation around the C-N bond from crystallographic structural data. J. Amer. Chem. Soc. 108, 2420-2424 (1986). 

Control integration an external coordination system can directly influence the work at a technical workplace by directly requesting the enactment of a method fragment mapped to the actual task. 

Giintert P, Salzmann M, Braun D, Wiithrich K (2000) Sequence-specific NMR assignment of proteins by global fragment mapping with the program MAPPER. J Biomol NMR 18 129-137... 

CID spectra of the molecular ions and major fragment ions were recorded. Fragmentation maps of RDX and HMX were constructed and are shown in Figures 2 and 3 respectively. 

Fragmentation maps were constructed from CID results using the VG ZAB-4F instrument. The fragmentation maps of TPCD and DPCD-Acid are shown in Figures 9 and 10 respectively. 

Molecular ions were not detected. The dashed arrows in the fragmentation maps denote presumed pathways. 

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