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Submission id: KZ000017

Outputs for Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109


Database: Kazusa DNA Research Institute
Entry ID: KZ000017
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information


MS type: MS
Instrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 83.0, 84.0, 92.0, 93.0, 95.0, 96.0, 98.0, 107.0, 108.0, 110.0, 111.0, 121.0, 122.0, 124.0, 125.0, 133.0, 134.0, 136.0, 137.0, 139.0, 140.0, 148.0, 149.0, 151.0, 152.0, 164.0, 165.0, 167.0, 193.0, 194.0, 196.0,
Processing time: 0:00:02.213637

Results for the quried mass "82.0"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C2O1N3 0.041 0 0 C6,C8,N9,N11,N12,O14
C4O1N1 0.081 4 1 C2,C5,C6,C7,N11,O13
C3O2N1 0.038 0 0 C3,C7,C8,N12,O13,O14
C3O2N1 0.038 0 0 C5,C7,C8,N12,O13,O14
C3O1N2 0.061 2 2 C5,C6,C8,N10,N11,O14
C3O1N2 0.061 2 2 C5,C7,C8,N10,N12,O13
C3O1N2 0.061 2 2 C5,C7,C8,N10,N12,O14
C3O1N2 0.061 2 1 C4,C5,C7,N9,N10,O13
C3O1N2 0.061 2 2 C5,C6,C7,N9,N12,O13
C3O1N2 0.061 2 2 C5,C6,C7,N9,N10,O13
C3O1N2 0.061 2 2 C5,C6,C7,N9,N11,O13
C3O1N2 0.061 2 2 C5,C6,C7,N10,N11,O13
C3O1N2 0.061 2 0 C1,C5,C7,N10,N12,O13
C3O1N2 0.061 2 0 C2,C7,C8,N11,N12,O13
C3O1N2 0.061 2 2 C5,C6,C7,N11,N12,O13
C3O1N2 0.061 2 1 C4,C6,C8,N9,N11,O14
C3O1N2 0.061 2 1 C4,C5,C7,N10,N12,O13
C3O1N2 0.061 2 2 C5,C6,C8,N11,N12,O14
C3O1N2 0.061 2 2 C5,C6,C8,N9,N11,O14
C3O1N2 0.061 2 2 C5,C7,C8,N11,N12,O14
C3O1N2 0.061 2 2 C5,C7,C8,N11,N12,O13
C3O1N2 0.061 2 2 C5,C6,C7,N10,N12,O13
C3O1N2 0.061 2 2 C6,C7,C8,N11,N12,O13
C3O1N2 0.061 2 2 C6,C7,C8,N11,N12,O14
C3N3 0.084 4 0 C1,C4,C6,N9,N10,N11
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