Nicotinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: PR100046

Outputs for Nicotinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+

Database: Plant Science Center, RIKEN
Entry ID: PR100046
Synonyms: Nicotinic acid, Vitamin B3, Niacin, Nicotinate, 3-Picolinic acid, Pyridine-3-carbonic acid, Pellagra preventive factor
Total mass: 123.1092
Formula: H5 C6 O2 N1

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: 124.0398,
Processing time: 0:00:00.363691

Results for the quried mass "123.9752"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2N1	0.142	6	1	C1,C2,C3,C4,C5,C6,N7,O8,O9