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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