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Toluene Fragmentation
In mass spectrometry, fragmentation is the dissociation of energetically unstable molecular ions formed from passing the molecules in the ionization chamber of a mass spectrometer. The fragments of a molecule cause a pattern in the mass spectrum used to determine structural information of the molecule. [1]
It can occur in the ion source (in-source fragmentation) where it is generally not a desired effect. Ion source conformation is an important criterium in the level of fragmentation observed.
Desired fragmentation is made in the collision zone (post-source fragmentation) of a tandem mass spectrometer. It is a part of gas phase ion chemistry and there are different types of mass fragmentation:
Sigma bond cleavage is most commonly observed in alkanes. This occurs when an alpha electron is removed. The C-C bond elongates and weakens causing fragmentation. Fragmentation at this site produces a charged and a neutral fragment.
^Tandem Mass Spectrometry for Sequencing Proanthocyanidins. Hui-Jing Li and Max L. Deinzer, Anal. Chem., 2007, volume 79, pages 1739-1748, doi:10.1021/ac061823v