Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: FIO00568

Outputs for Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00568
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information

MS type: MS2
Instrument: maXis (Bruker Daltonics)
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: 196.0903,
Processing time: 0:00:00.750917

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