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Submission id: JP000558

Outputs for 1,3,7-TRIMETHYLXANTHINE; EI-B; MS


Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP000558
Synonyms: 1,3,7-TRIMETHYLXANTHINE, CAFFEINE ANHYDRATE
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information


MS type: MS
Instrument: HITACHI M-80
Instrument type: EI-B
Ionization: 20 eV
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 110.0, 137.0, 138.0, 194.0, 195.0,
Processing time: 0:00:02.196194

Results for the quried mass "82.0"

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