Processed databases
Atom-Mass pairs
Outputs for Caffeine; MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
Database: JEOL Ltd.
Entry ID: JEL00040
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4
Experimental information
MS type: MS2
Instrument: JMS-S3000
Instrument type: MALDI-TOFTOF
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 13.0624, 14.0669, 16.0759, 25.0731, 26.0809, 28.0875, 29.0858, 31.0893, 37.0746, 38.074, 40.0829, 41.085, 43.0741, 44.1026, 51.0858, 52.085, 54.0876, 56.0867, 57.102, 63.0733, 64.0716, 66.0857, 67.0915, 69.0936, 70.0659, 76.0755, 77.0798, 79.0845, 80.078, 82.1044, 84.0925, 93.0896, 94.0836, 96.085, 97.0901, 108.0849, 110.0988, 111.0853, 121.0863, 122.0689, 124.0801, 134.1214, 135.076, 137.0796, 138.0773, 150.0278, 151.0679, 164.0934, 166.0468, 180.0047,
Processing time: 0:00:03.445593
Results for the quried mass "109.0873"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N3 | 0.042 | 7 | 0 | C1,C2,C4,C5,C6,N9,N10,N11 |
| C4O1N3 | 0.001 | 3 | 0 | C2,C3,C6,C8,N9,N11,N12,O14 |
| C4O2N2 | 0.024 | 1 | 0 | C2,C3,C7,C8,N11,N12,O13,O14 |
| C5O1N2 | 0.018 | 5 | 0 | C1,C3,C4,C5,C7,N10,N12,O13 |
| C5O1N2 | 0.018 | 5 | 1 | C1,C4,C5,C6,C7,N9,N10,O13 |