Processed databases
Atom-Mass pairs
Outputs for Nicotine; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ300804
Synonyms: Nicotine, 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine
Total mass: 162.231
Formula: H14 C10 N2
Experimental information
MS type: MS2
Instrument: Q Exactive Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 82.065, 92.0494, 93.0571, 105.0698, 117.0571, 119.0726, 120.0806, 131.073, 132.0806,
Processing time: 0:00:01.945187
Results for the quried mass "78.0334"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.058 | 4 | 0 | C1,C3,C5,C7,C10,N12 |
| C5N1 | 0.058 | 4 | 0 | C2,C4,C6,C8,C9,N11 |
| C6 | 0.078 | 6 | 0 | C2,C3,C4,C5,C9,C10 |
| C6 | 0.078 | 6 | 0 | C2,C4,C5,C8,C9,C10 |
| C6 | 0.078 | 6 | 0 | C2,C4,C5,C6,C9,C10 |
| C6 | 0.078 | 6 | 0 | C3,C4,C5,C8,C9,C10 |
| C6 | 0.078 | 6 | 0 | C3,C4,C5,C7,C9,C10 |
| C6 | 0.078 | 6 | 0 | C3,C5,C7,C8,C9,C10 |
| C6 | 0.078 | 6 | 1 | C2,C4,C6,C8,C9,C10 |
| C4N2 | 0.039 | 2 | 0 | C4,C8,C9,C10,N11,N12 |
| C4N2 | 0.039 | 2 | 0 | C5,C8,C9,C10,N11,N12 |
| C4N2 | 0.039 | 2 | 0 | C6,C8,C9,C10,N11,N12 |
| C4N2 | 0.039 | 2 | 0 | C7,C8,C9,C10,N11,N12 |