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Retro Diels–Alder reactions in electron ionization fragmentation. Top: QCEIMS, bottom: experimental spectra. (a) Mechanistic example of a retro Diels–Alder fragmentation. (b) Analysis of QCEIMS trajectories for 6-methyluracil marking the neutral loss of isocyanic acid (43 u, pink circle, yielding m/z 83). (c) Analysis of QCEIMS trajectories for 1,3-dimethyluracil marking the neutral loss of methyl-isocyanic acid (57 u, pink circle, yielding m/z 83).
