Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: BML00705

Outputs for Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

Database: Institute of Biological Chemistry, Washington State University
Entry ID: BML00705
Synonyms: Caffeine
Total mass: 194.1902
Formula: H10 C8 O2 N4

Experimental information

MS type: MS2
Instrument: Agilent 1200 RRLC; Agilent 6520 QTOF
Instrument type: LC-ESI-QTOF
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 109.0641, 110.0712, 110.105, 110.1684, 111.055, 138.0978, 138.1043, 138.1218, 138.1466, 138.1747,
Processing time: 0:00:01.176356

Results for the quried mass "195.0867"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C8O2N4	0.111	11	1	C1,C2,C3,C4,C5,C6,C7,C8,N9,N10,N11,N12,O13,O14