Processed databases
Atom-Mass pairs
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
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out 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
Results for the quried mass "64.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1 | 0.058 | 0 | 0 | C1,C2,C5,C6,O8 |
| C4O1 | 0.058 | 0 | 0 | C1,C2,C5,C6,O9 |
| C4O1 | 0.058 | 0 | 0 | C2,C4,C5,C6,O8 |
| C4O1 | 0.058 | 0 | 0 | C2,C4,C5,C6,O9 |
| C4N1 | 0.035 | 2 | 0 | C1,C2,C3,C4,N7 |
| C5 | 0.015 | 4 | 0 | C1,C2,C3,C4,C5 |
| C5 | 0.015 | 4 | 1 | C1,C2,C3,C5,C6 |
| C5 | 0.015 | 4 | 1 | C1,C2,C4,C5,C6 |
| C3O1N1 | 0.078 | 2 | 1 | C4,C5,C6,N7,O8 |
| C3O1N1 | 0.078 | 2 | 0 | C4,C5,C6,N7,O9 |