Processed databases
Atom-Mass pairs
Outputs for Caffeine; LC-ESI-QTOF; MS1; POSITIVE
Database: Institute of Biological Chemistry, Washington State University
Entry ID: BML80860
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS1
Instrument: Agilent 1200 RRLC; Agilent 6520 QTOF
Instrument type: LC-ESI-QTOF
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 217.069618,
Replicated queried mass peaks:
Processing time: 0:00:00.391836
Results for the quried mass "195.0876765"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8O2N4 | 0.110 | 11 | 1 | C1,C2,C3,C4,C5,C6,C7,C8,N9,N10,N11,N12,O13,O14 |