Processed databases
Atom-Mass pairs
Outputs for CAFFEINE; EI-B; MS
Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003477
Synonyms: CAFFEINE
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS
Instrument: HITACHI M-60
Instrument type: EI-B
Ionization: 20 eV
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 42.0, 54.0, 56.0, 57.0, 68.0, 69.0, 71.0, 72.0, 81.0, 82.0, 84.0, 95.0, 96.0, 98.0, 108.0, 109.0, 111.0, 122.0, 123.0, 125.0, 126.0, 136.0, 137.0, 139.0, 150.0, 151.0, 154.0, 155.0, 165.0, 166.0, 193.0, 194.0, 196.0,
Processing time: 0:00:03.147275
Results for the quried mass "97.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N2 | 0.095 | 5 | 0 | C2,C3,C6,C8,N11,N12,O14 |
| C4O1N2 | 0.095 | 5 | 1 | C2,C4,C6,C8,N9,N11,O14 |
| C3O2N2 | 0.052 | 1 | 1 | C6,C7,C8,N11,N12,O13,O14 |
| C4N3 | 0.118 | 7 | 0 | C1,C2,C4,C6,N9,N10,N11 |
| C3O1N3 | 0.075 | 3 | 2 | C4,C6,C8,N9,N11,N12,O14 |
| C3O1N3 | 0.075 | 3 | 2 | C4,C6,C8,N9,N10,N11,O14 |
| C3O1N3 | 0.075 | 3 | 2 | C4,C5,C7,N9,N10,N12,O13 |