Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: KO002539

Outputs for Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO002539
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 75.1, 97.4, 110.1, 121.8, 135.6,
Processing time: 0:00:03.114709

Results for the quried mass "87.8"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N2	0.267	0	0	C4,C5,C6,C7,C8,N9,N12
C5N2	0.267	0	0	C4,C5,C6,C7,C8,N9,N11
C5N2	0.267	0	0	C4,C5,C6,C7,C8,N10,N11
C5N2	0.267	0	0	C4,C5,C6,C7,C8,N10,N12
C5N2	0.267	0	0	C2,C5,C6,C7,C8,N11,N12