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. Author manuscript; available in PMC: 2020 Nov 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2019 Sep 9;30(11):2380–2391. doi: 10.1007/s13361-019-02323-2

Table 1.

Molecular (M+), fragmental (M+ - Py) m/z and critical energy (E0) of BP cations. E0 values using AM1 calculations were taken from literature [14].

Substituted BP Abbreviation m/z (M+) m/z (M+ - Py) E0 (eV)
para-methoxy- MeO 200.1069 121.0647 1.51
para-methyl- Me 184.1120 105.0698 1.77
para-chloro- Cl 204.0574 125.0152 1.90
para-cyano- CN 195.0916 116.0494 2.10
para-nitro- NO2 215.0815 136.0393 2.35