Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA030310

Outputs for Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA030310
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: 111.0555,
Processing time: 0:00:01.874978

Results for the quried mass "195.0877"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C8O2N4	0.110	11	1	C1,C2,C3,C4,C5,C6,C7,C8,N9,N10,N11,N12,O13,O14