Processed databases
Atom-Mass pairs
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
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: 2.0158Out 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
Results for the quried mass "81.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O2N1 | 0.030 | 1 | 0 | C4,C5,C6,N7,O8,O9 |
| C4O2 | 0.049 | 1 | 0 | C2,C4,C5,C6,O8,O9 |
| C4O2 | 0.049 | 1 | 0 | C1,C2,C5,C6,O8,O9 |