Open Access

Table C.2

Prompt ions detected from multi-photon ionized benzonitrile: m/z range 1 to 60. Gaussian fits were applied to determine the center m/z values of the peaks that could be assigned to different combinations of atoms.

MPI m/z (nearest integer or center value) Present assignments@ (with m/z to compare with center value) Alternative ion (m/z) that was not identified& Previous assignments Relevant ion observations in the ISM
60 C5•+ - # -
53.042 C4H5+ (53.039) C3H3N•+ (53.027) - -
52.035 C4H4•+ (52.031) C3H2N+ (52.019) C4H4•+ (1, 2) C3NH2+ (3)
51.022 C4H3+ (51.024) and 5% 13CC3H2•+ (51.019) C3HN•+ (51.011) C4H3+ (1, 2) -
50.017 C4H2•+ (50.016) C3N+ (50.003) C4H2•+ (1, 2) -
49 C4H+ - # -
48 C4•+ - # -
40.031 C3H4•+ (40.031) C2H2N+ (40.019) - -
39.026 C3H3+ (39.024) C2HN•+ (39.011) C3H3+ (2) -
38.012 C3H2•+ (38.016) C2N+ (38.003) - -
37 C3H+ - # C3H+ (4)
36 C3•+ - # -
28* C2H4•+ or CH2N+ - First observed here$ H2CN+ (5), HCNH+ (6)
27.020 C2H3+ (27.024) HCN•+ (27.011) - -
26.013 C2H2•+ (26.016) CN••+ (26.003) C2H2•+ (2) CN••+ (7)
25 C2H+ - # -
24 C2•+ - # -
15.024 CH3+ (15.024) HN•+ (15.011) - CH3+ (8), /-CH3+ (9)
14.016 CH2•+ (14.016) N+ (14.003) - N+ (10)
13 CH+ - # CH+ (5)
12 C•+ - # C•+ (11)
1 H+ - First observed here$,# H+ (12)

Notes. (@)The assignments in bold were identified using Gaussian fits, or they represent the only possible assignment considering the atomic composition of benzonitrile. (&)However, a possible weak contribution cannot be ruled out. (#)Only one possible assignment. (†)center value ±0.005. (*)Not possible to obtain a good Gaussian fit due to low signal-to-noise ratios or an asymmetric peak shape. ($)These peaks were not visible in the NIST mass spectrum (Wallace 2024) or in Martin & O’Malley (1984)’s mass spectra. References. (1) Kamer et al. (2023); (2) Martin & O’Malley (1984); (3) Agúndez et al. (2022); (4) Cernicharo et al. (2022); (5) Smith (1988); (6) Kawaguchi et al. (1993); (7) Dopita & Sutherland (2013); (8) Berné et al. (2023); (9) Pety et al. (2012); (10) Langer et al. (2017); (11) Schneider et al. (2023); (12) Mouschovias et al. (1974).

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