Computational Annotation of MS Peaks (CAMP) | ||||||||||||||||||||||||||||
Home Processed databases Atom-Mass pairs |
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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 Structure file (with ALATIS unique atom labels) Experimental informationMS type: MS2Instrument: LTQ Orbitrap XL Thermo Scientific Instrument type: LC-ESI-ITFT Ionization: ESI Ionization mode: POSITIVE CAMP general report:Acceptable mass threshold: 2.0158Out of range queried mass peaks: Replicated queried mass peaks: 83.0603, 110.0712, Processing time: 0:00:01.784843 Queried mass list: ['56.049', '69.045', '82.052', '109.040', '111.055', '123.043', '138.066', '195.088']
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