Processed databases
Atom-Mass pairs
Outputs for Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO002539
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS2
Instrument: 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: 75.1, 97.4, 110.1, 121.8, 135.6,
Processing time: 0:00:03.114709
Results for the quried mass "56.9"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O1N1 | 0.151 | 3 | 0 | C2,C8,N11,O14 |
| C2O1N1 | 0.151 | 3 | 0 | C3,C7,N12,O13 |
| C2O1N1 | 0.151 | 3 | 0 | C3,C8,N12,O14 |
| C2N2 | 0.174 | 5 | 2 | C2,C8,N11,N12 |
| C1O1N2 | 0.131 | 1 | 1 | C8,N11,N12,O14 |