Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003588

Outputs for Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003588
Synonyms: Nicotinate, Niacin, 3-Pyridinecarboxylic acid, Nicotinic acid
Total mass: 123.1092
Formula: H5 C6 O2 N1

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: 73.3, 80.0, 107.0,
Processing time: 0:00:01.487324

Results for the quried mass "96.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O2	0.016	4	0	C1,C2,C4,C5,C6,O8,O9
C5O2	0.016	4	0	C1,C2,C3,C5,C6,O8,O9
C4O2N1	0.036	2	0	C3,C4,C5,C6,N7,O8,O9
C4O2N1	0.036	2	0	C2,C4,C5,C6,N7,O8,O9