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: KO003587

Outputs for Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003587
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: 130.0,146.7,
Replicated queried mass peaks: 55.9, 89.1, 107.2,
Processing time: 0:00:01.601058
Queried mass list: ['55.100', '58.900', '64.100', '75.000', '83.300', '88.700', '92.100', '100.500', '106.200', '113.100', '115.300', '118.800', '124.300']

Queried mass	Num. matched formulas	Num. matched fragments
55.1 (link to fragments)	2	3
58.9 (link to fragments)	2	4
64.1 (link to fragments)	4	10
75.0 (link to fragments)	1	1
83.3 (link to fragments)	2	3
88.7	No match found!	No match found!
92.1 (link to fragments)	2	4
100.5 (link to fragments)	1	2
106.2 (link to fragments)	3	7
113.1	No match found!	No match found!
115.3	No match found!	No match found!
118.8 (link to fragments)	1	1
124.3 (link to fragments)	1	1