Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:78

Outputs for Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:78

Database: Plant Science Center, RIKEN
Entry ID: PR010189
Synonyms: Nicotinic acid, Nicotinate, Niacin, 3-Pyridinecarboxylic acid
Total mass: 123.1092
Formula: H5 C6 O2 N1

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS
Instrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 132.0,135.0,138.0,150.0,153.0,162.0,165.0,179.0,182.0,194.0,197.0,
Replicated queried mass peaks: 61.0, 62.0, 64.0, 65.0, 67.0, 68.0, 70.0, 71.0, 73.0, 74.0, 76.0, 77.0, 79.0, 80.0, 82.0, 83.0, 85.0, 86.0, 90.0, 91.0, 93.0, 94.0, 96.0, 97.0, 99.0, 105.0, 106.0, 108.0, 109.0, 111.0, 120.0, 121.0, 123.0, 124.0, 134.0, 136.0, 137.0, 139.0, 151.0, 152.0, 163.0, 164.0, 166.0, 180.0, 181.0, 183.0, 184.0, 195.0, 196.0,
Processing time: 0:00:01.894067
Queried mass list: ['60.000', '63.000', '66.000', '69.000', '72.000', '75.000', '78.000', '81.000', '84.000', '89.000', '92.000', '95.000', '98.000', '104.000', '107.000', '110.000', '119.000', '122.000', '125.000']

Queried mass	Num. matched formulas	Num. matched fragments
60.0 (link to fragments)	1	3
63.0 (link to fragments)	3	8
66.0 (link to fragments)	4	8
69.0 (link to fragments)	1	2
72.0 (link to fragments)	1	2
75.0 (link to fragments)	1	1
78.0 (link to fragments)	1	1
81.0 (link to fragments)	2	3
84.0 (link to fragments)	2	3
89.0	No match found!	No match found!
92.0 (link to fragments)	1	2
95.0 (link to fragments)	2	4
98.0 (link to fragments)	2	4
104.0 (link to fragments)	2	3
107.0 (link to fragments)	3	7
110.0 (link to fragments)	2	5
119.0 (link to fragments)	1	1
122.0 (link to fragments)	1	1
125.0 (link to fragments)	1	1