Processed databases
Atom-Mass pairs
Outputs for Nicotine; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ300805
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: 79.0542, 80.0494, 84.0807, 90.0463, 91.0541, 93.0571, 93.0697, 94.065, 96.0443, 104.0494, 105.0698, 117.0571, 119.0727, 120.0806, 131.0728, 132.0806,
Processing time: 0:00:01.863361
Results for the quried mass "103.0541"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7N1 | 0.067 | 5 | 0 | C1,C3,C4,C5,C7,C9,C10,N12 |
| C7N1 | 0.067 | 5 | 0 | C1,C3,C5,C7,C8,C9,C10,N12 |
| C7N1 | 0.067 | 5 | 0 | C2,C4,C5,C6,C8,C9,C10,N11 |