nicotinamide; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: ML005101

Outputs for nicotinamide; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+

Database: European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Hinxton, UK.
Entry ID: ML005101
Synonyms: nicotinamide, pyridine-3-carboxamide
Total mass: 122.1244
Formula: H6 C6 O1 N2

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap Velos Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 80.0498,
Processing time: 0:00:00.724418

Results for the quried mass "96.0447"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O1N2	0.042	4	0	C3,C4,C5,C6,N7,N8,O9
C4O1N2	0.042	4	0	C2,C4,C5,C6,N7,N8,O9
C5O1N1	0.062	6	1	C1,C2,C4,C5,C6,N7,O9
C5O1N1	0.062	6	1	C1,C2,C3,C5,C6,N7,O9