| Comparing Fragments |
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The Fragments Comparator module allows you to process and compare fragments generated in Fragments & Mechanisms windows. The fragments can originate from different structures. This module support fragments generated using any ionization method. Using fragment marks in the Fragments & Mechanism window, it is possible to export only a selected set of fragments into the Fragments Comparator module. The fragments are organized in columns. Each column represents a set of fragments provided by an associated Fragments & Mechanisms window. The Fragments Comparator module can hold an almost unlimited number of fragment sets, limited only by system resources. The Fragments Comparator was designed as an integral part of the Fragments & Mechanisms module. If you double-click any fragment in the Fragments Comparator module, the associated mechanisms will appear in the Fragments & Mechanisms window.
The comparison feature is especially useful when analyzing the fragmentation products of structurally related compounds. Common fragments point toward a common substructure in terms of fragmentation. The most interesting are however the fragment differences. They can indicate fragments along with corresponding peaks in a spectrum that are characteristic for the distinction of structural details. Predicted m/z values of fragments that are different for structurally related compounds should attract your attention when examining spectral differences in Database Manager in the Compare Tab. |
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