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Submission id: EA030305

Outputs for Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+


Database: Department of Environmental Chemistry, Eawag
Entry ID: EA030305
Synonyms: Caffeine, 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-trimethylpurine-2,6-dione
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information


MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 83.0603, 110.0712,
Processing time: 0:00:01.784843

Results for the quried mass "82.0525"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C3O2N1 0.015 0 0 C5,C7,C8,N12,O13,O14
C3O2N1 0.015 0 0 C3,C7,C8,N12,O13,O14
C2O1N3 0.012 0 0 C6,C8,N9,N11,N12,O14
C3O1N2 0.008 2 1 C4,C6,C8,N9,N11,O14
C3O1N2 0.008 2 1 C4,C5,C7,N10,N12,O13
C3O1N2 0.008 2 1 C4,C5,C7,N9,N10,O13
C3O1N2 0.008 2 2 C5,C6,C8,N11,N12,O14
C3O1N2 0.008 2 2 C5,C6,C8,N9,N11,O14
C3O1N2 0.008 2 2 C5,C6,C8,N10,N11,O14
C3O1N2 0.008 2 2 C5,C7,C8,N11,N12,O14
C3O1N2 0.008 2 2 C5,C7,C8,N11,N12,O13
C3O1N2 0.008 2 2 C5,C7,C8,N10,N12,O14
C3O1N2 0.008 2 2 C5,C6,C7,N9,N10,O13
C3O1N2 0.008 2 2 C5,C6,C7,N9,N11,O13
C3O1N2 0.008 2 2 C5,C6,C7,N10,N11,O13
C3O1N2 0.008 2 2 C5,C7,C8,N10,N12,O13
C3O1N2 0.008 2 2 C5,C6,C7,N9,N12,O13
C3O1N2 0.008 2 2 C5,C6,C7,N11,N12,O13
C3O1N2 0.008 2 2 C6,C7,C8,N11,N12,O13
C3O1N2 0.008 2 2 C6,C7,C8,N11,N12,O14
C2O2N2 0.035 2 2 C7,C8,N11,N12,O13,O14
C3N3 0.031 4 0 C1,C4,C6,N9,N10,N11
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