Processed databases
Atom-Mass pairs
Outputs for Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB003783
Synonyms: Caffeine , 1,3,7-trimethylpurine-2,6-dione
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS2
Instrument: TSQ 7000
Instrument type: LC-ESI-QQ
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 197.0,
Replicated queried mass peaks: 28.0, 29.0, 31.0, 35.0, 43.0, 44.0, 46.0, 49.0, 50.0, 54.0, 55.0, 57.0, 58.0, 63.0, 64.0, 68.0, 69.0, 71.0, 72.0, 74.0, 75.0, 77.0, 81.0, 82.0, 84.0, 85.0, 96.0, 97.0, 99.0, 103.0, 107.0, 109.0, 110.0, 122.0, 124.0, 125.0, 128.0, 136.0, 137.0, 139.0, 148.0, 153.0, 155.0, 156.0, 163.0, 173.0, 186.0, 194.0, 195.0,
Processing time: 0:00:03.831807
Results for the quried mass "151.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1N4 | 0.146 | 7 | 0 | C1,C2,C3,C4,C6,C8,N9,N10,N11,N12,O14 |
| C6O2N3 | 0.123 | 5 | 0 | C1,C2,C3,C5,C7,C8,N10,N11,N12,O13,O14 |
| C6O2N3 | 0.123 | 5 | 0 | C2,C3,C5,C6,C7,C8,N9,N11,N12,O13,O14 |
| C6O2N3 | 0.123 | 5 | 0 | C2,C3,C4,C6,C7,C8,N9,N11,N12,O13,O14 |
| C6O2N3 | 0.123 | 5 | 0 | C1,C3,C4,C5,C7,C8,N9,N10,N12,O13,O14 |