Processed databases
Atom-Mass pairs
Outputs for CAFFEINE; CI-B; MS
Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003158
Synonyms: CAFFEINE
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS
Instrument: Unknown
Instrument type: CI-B
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 195.0, 196.0,
Processing time: 0:00:00.740362
Results for the quried mass "110.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N3 | 0.137 | 8 | 1 | C1,C2,C4,C5,C6,N9,N10,N11 |
| C4O1N3 | 0.094 | 4 | 0 | C2,C3,C6,C8,N9,N11,N12,O14 |
| C4O2N2 | 0.071 | 2 | 0 | C2,C3,C7,C8,N11,N12,O13,O14 |
| C5O1N2 | 0.114 | 6 | 0 | C1,C3,C4,C5,C7,N10,N12,O13 |
| C5O1N2 | 0.114 | 6 | 2 | C1,C4,C5,C6,C7,N9,N10,O13 |