NMRFAM Logo Computational Annotation of MS Peaks (CAMP)
Home
Processed databases
Atom-Mass pairs

Search:
(Search for compound name or MassBank ID)

Submission id: JP003788

Outputs for CAFFEINE; CI-B; MS


Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003788
Synonyms: CAFFEINE
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information


MS type: MS
Instrument: HITACHI M-60
Instrument type: CI-B
Ionization: 100 eV
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 67.0, 68.0, 82.0, 83.0, 110.0, 111.0, 137.0, 138.0, 166.0, 178.0, 194.0, 195.0, 197.0, 198.0,
Processing time: 0:00:02.121008

Results for the quried mass "94.0"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C3N4 0.075 2 1 C4,C6,C8,N9,N10,N11,N12
C3N4 0.075 2 2 C5,C6,C8,N9,N10,N11,N12
C3N4 0.075 2 2 C5,C6,C7,N9,N10,N11,N12
C4O1N2 0.071 2 0 C1,C3,C5,C7,N10,N12,O13
C4O1N2 0.071 2 0 C2,C3,C6,C8,N11,N12,O14
C4O1N2 0.071 2 0 C2,C4,C6,C8,N9,N11,O14
C4O1N2 0.071 2 0 C1,C4,C5,C7,N9,N10,O13
C4N3 0.094 4 0 C1,C2,C4,C6,N9,N10,N11
C3O1N3 0.052 0 0 C4,C6,C8,N9,N11,N12,O14
C3O1N3 0.052 0 0 C4,C6,C8,N9,N10,N11,O14
C3O1N3 0.052 0 0 C5,C6,C8,N9,N10,N11,O14
C3O1N3 0.052 0 0 C5,C7,C8,N10,N11,N12,O13
C3O1N3 0.052 0 0 C4,C5,C7,N9,N10,N12,O13
C3O1N3 0.052 0 0 C5,C6,C7,N9,N10,N11,O13
C3O1N3 0.052 0 0 C6,C7,C8,N9,N11,N12,O13
C3O1N3 0.052 0 0 C6,C7,C8,N9,N11,N12,O14
C3O1N3 0.052 0 0 C5,C7,C8,N10,N11,N12,O14
C3O1N3 0.052 0 0 C5,C6,C8,N10,N11,N12,O14
C4O2N1 0.048 0 0 C3,C5,C7,C8,N12,O13,O14
Flag Counter