Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: PR100025

Outputs for Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Database: Plant Science Center, RIKEN
Entry ID: PR100025
Synonyms: Caffeine, 1,3,7-Trimethylxanthine, 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Guaranine
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information

MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
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: 0:00:00.730100

Results for the quried mass "195.0815"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C8O2N4	0.117	11	1	C1,C2,C3,C4,C5,C6,C7,C8,N9,N10,N11,N12,O13,O14