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-QQ; MS2; CE:50 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003606
Synonyms: Nicotine, (S)-3-(1-methylpyrrolidin-2-yl)pyridine, (-)-Nicotine
Total mass: 162.231
Formula: H14 C10 N2
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 41.1, 42.9, 52.3, 54.2, 57.2, 64.3, 65.1, 67.1, 69.3, 70.0, 78.1, 80.0, 81.3, 90.1, 91.1, 93.2, 95.0, 102.1, 104.1, 105.0, 116.5, 118.2, 119.2, 131.0, 131.9,
Processing time: 0:00:02.688994
Queried mass list: ['15.000', '39.300', '41.900', '44.200', '51.100', '53.300', '56.000', '58.300', '63.100', '66.000', '68.200', '74.900', '77.100', '79.300', '82.100', '84.200', '89.100', '91.900', '94.200', '96.300', '100.900', '103.000', '106.100', '110.300', '115.100', '117.200', '120.200', '128.000', '130.200', '146.400', '163.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 15.0 (link to fragments) | 2 | 11 |
| 39.3 (link to fragments) | 2 | 15 |
| 41.9 (link to fragments) | 2 | 7 |
| 44.2 | No match found! | No match found! |
| 51.1 (link to fragments) | 2 | 21 |
| 53.3 (link to fragments) | 2 | 17 |
| 56.0 (link to fragments) | 2 | 5 |
| 58.3 (link to fragments) | 1 | 8 |
| 63.1 (link to fragments) | 3 | 27 |
| 66.0 (link to fragments) | 3 | 27 |
| 68.2 (link to fragments) | 2 | 5 |
| 74.9 (link to fragments) | 3 | 13 |
| 77.1 (link to fragments) | 3 | 13 |
| 79.3 (link to fragments) | 1 | 2 |
| 82.1 (link to fragments) | 1 | 1 |
| 84.2 (link to fragments) | 2 | 3 |
| 89.1 (link to fragments) | 1 | 2 |
| 91.9 (link to fragments) | 1 | 2 |
| 94.2 (link to fragments) | 1 | 1 |
| 96.3 (link to fragments) | 2 | 4 |
| 100.9 (link to fragments) | 1 | 3 |
| 103.0 (link to fragments) | 1 | 3 |
| 106.1 (link to fragments) | 1 | 3 |
| 110.3 (link to fragments) | 3 | 7 |
| 115.1 (link to fragments) | 2 | 5 |
| 117.2 (link to fragments) | 2 | 5 |
| 120.2 (link to fragments) | 3 | 8 |
| 128.0 (link to fragments) | 2 | 7 |
| 130.2 (link to fragments) | 2 | 7 |
| 146.4 (link to fragments) | 3 | 10 |
| 163.0 (link to fragments) | 1 | 1 |