Processed databases
Atom-Mass pairs
Related entries (identical compound):
JP009715
JP003799
PR100077
JP010826
KO003605
KO003604
KO003606
KO003603
KO003602
EQ300803
EQ300802
EQ300801
EQ300806
EQ300805
EQ300804
JP003492
BML81800
BML81802
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
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: 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
Queried mass list: ['70.065', '78.034', '82.065', '89.038', '92.049', '95.049', '103.054', '106.065', '110.060', '115.054', '118.065', '130.065', '134.096', '163.123']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 70.0651 (link to fragments) | 2 | 8 |
| 78.0336 (link to fragments) | 3 | 13 |
| 82.0651 (link to fragments) | 1 | 1 |
| 89.0385 (link to fragments) | 1 | 2 |
| 92.0494 (link to fragments) | 1 | 2 |
| 95.0491 (link to fragments) | 1 | 1 |
| 103.0541 (link to fragments) | 1 | 3 |
| 106.065 (link to fragments) | 1 | 3 |
| 110.06 (link to fragments) | 2 | 5 |
| 115.0541 (link to fragments) | 2 | 5 |
| 118.065 (link to fragments) | 2 | 5 |
| 130.065 (link to fragments) | 2 | 7 |
| 134.0962 (link to fragments) | 4 | 16 |
| 163.1227 (link to fragments) | 1 | 1 |