Related entries (identical compound): PR100045 JP005708 FIO00518 FIO00519 FIO00515 FIO00516 FIO00517 KO003591 KO003590 PR100505 KZ000065 PR010189 PR100046 KO003588 KO003589 KO003587 KZ000167 OUF00390 KO001504 KO001505 KO001506 KO001502 KO001503

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

Structure file (with ALATIS unique atom labels)

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
Queried mass list: ['44.900', '62.700', '72.100', '78.200', '86.700', '89.100', '96.100', '106.200', '124.100']

Queried mass	Num. matched formulas	Num. matched fragments
44.9 (link to fragments)	1	1
62.7 (link to fragments)	3	8
72.1 (link to fragments)	1	1
78.2 (link to fragments)	2	3
86.7	No match found!	No match found!
89.1	No match found!	No match found!
96.1 (link to fragments)	2	4
106.2 (link to fragments)	3	7
124.1 (link to fragments)	1	1