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

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001503

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001503
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: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 78.0,
Processing time: 0:00:01.157125

Results for the quried mass "62.2"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4N1	0.151	0	0	C1,C2,C3,C4,N7
C5	0.131	2	0	C1,C2,C3,C4,C5
C5	0.131	2	0	C1,C2,C3,C5,C6
C5	0.131	2	0	C1,C2,C4,C5,C6
C4O1	0.174	2	0	C1,C2,C5,C6,O8
C4O1	0.174	2	0	C1,C2,C5,C6,O9
C4O1	0.174	2	0	C2,C4,C5,C6,O8
C4O1	0.174	2	0	C2,C4,C5,C6,O9