Processed databases
Atom-Mass pairs
Outputs for CAFFEINE; EI-B; MS
Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003511
Synonyms: CAFFEINE
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS
Instrument: HITACHI M-68
Instrument type: EI-B
Ionization: 70 eV
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 68.0, 83.0, 109.0, 110.0, 194.0, 195.0,
Processing time: 0:00:02.597468
Results for the quried mass "28.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C1O1 | 0.010 | 0 | 0 | C7,O13 |
| C1O1 | 0.010 | 0 | 0 | C8,O14 |
| C1N1 | 0.033 | 2 | 1 | C4,N9 |
| C1N1 | 0.033 | 2 | 1 | C4,N10 |
| C1N1 | 0.033 | 2 | 2 | C5,N10 |
| C1N1 | 0.033 | 2 | 2 | C6,N9 |
| C1N1 | 0.033 | 2 | 2 | C6,N11 |
| C1N1 | 0.033 | 2 | 2 | C7,N12 |
| C1N1 | 0.033 | 2 | 2 | C8,N11 |
| C1N1 | 0.033 | 2 | 2 | C8,N12 |
| C1N1 | 0.033 | 2 | 0 | C1,N10 |
| C1N1 | 0.033 | 2 | 0 | C2,N11 |
| C1N1 | 0.033 | 2 | 0 | C3,N12 |