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- W1640811912 abstract "The program FRANZ (Fragmentation and Rearrangement ANalyZer) has been developed to gain insight into the reactions occurring in the mass spectrometer. First it generates the network of possible reactions. The calculated isotope patterns of the ions are used to determine the amount of each ion. The next step, the computation of mass flow, is based on the amounts and the proposed fragmentations. Finally for each fragmentation step a reaction probability is calculated from the mass flows and the amounts of the ions. Due to ambiguities in most fragmentation schemes (isomeric ions, ions formed by more than one reaction sequence) the reliability of each reaction probability is indicated by its lower and upper limit. Rearrangements are classified as reactive or not reactive depending on the mass flows of the succeeding fragmentations if such an assignment is possible." @default.
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- W1640811912 date "1995-01-01" @default.
- W1640811912 modified "2023-09-25" @default.
- W1640811912 title "Automatic elucidation of reactions in the mass spectrometer" @default.
- W1640811912 doi "https://doi.org/10.1063/1.47783" @default.
- W1640811912 hasPublicationYear "1995" @default.
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