Processed databases
Atom-Mass pairs
Outputs for CAFFEINE; CI-B; MS
Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003788
Synonyms: CAFFEINE
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS
Instrument: HITACHI M-60
Instrument type: CI-B
Ionization: 100 eV
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 67.0, 68.0, 82.0, 83.0, 110.0, 111.0, 137.0, 138.0, 166.0, 178.0, 194.0, 195.0, 197.0, 198.0,
Processing time: 0:00:02.121008
Results for the quried mass "154.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1N4 | 0.169 | 10 | 0 | C1,C2,C3,C4,C6,C8,N9,N10,N11,N12,O14 |
| C6O2N3 | 0.146 | 8 | 0 | C1,C2,C3,C5,C7,C8,N10,N11,N12,O13,O14 |
| C6O2N3 | 0.146 | 8 | 2 | C2,C3,C5,C6,C7,C8,N9,N11,N12,O13,O14 |
| C6O2N3 | 0.146 | 8 | 1 | C2,C3,C4,C6,C7,C8,N9,N11,N12,O13,O14 |
| C6O2N3 | 0.146 | 8 | 1 | C1,C3,C4,C5,C7,C8,N9,N10,N12,O13,O14 |