Related entries (identical compound): BML80860 KZ000017 MT000087 KO002537 PR010011 UF408904 UF408901 UF408902 UF408903 KZ000113 OUF00133 EA030311 EA030310 EA030313 EA030312 EA030314 BML00714 BML00696 KO002541 KO002540 JEL00040 SM866601 PR100026 PR100025 EA030308 EA030309 EA030306 EA030307 EA030304 EA030305 EA030302 EA030303 EA030301 JP003477 JP003788 JP003158 FIO00569 FIO00568 BML00705 KO002538 KO002539 BML80862 JP003511 PB003781 PB003782 PB003783 JP000558 FIO00572 FIO00570 FIO00571

Submission id: EA030309

Outputs for Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA030309
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

Structure file (with ALATIS unique atom labels)

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:
Processing time: 0:00:00.718699
Queried mass list: ['138.066', '195.088']

Queried mass	Num. matched formulas	Num. matched fragments
138.0661 (link to fragments)	3	6
195.0877 (link to fragments)	1	1