Processed databases
Atom-Mass pairs
Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003834
Synonyms: 4-Pyridoxate, 4-Pyridoxic acid
Total mass: 183.161
Formula: H9 C8 O4 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:
Replicated queried mass peaks: 83.0, 85.0, 92.3, 94.9, 103.7, 105.8, 106.7, 110.1, 111.0, 120.8, 123.4, 124.0, 136.0, 149.1, 166.3, 184.2,
Processing time: 0:00:03.084151
Results for the quried mass "113.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O3 | 0.209 | 5 | 0 | C1,C4,C6,C7,C8,O11,O12,O13 |
| C5O3 | 0.209 | 5 | 0 | C2,C3,C5,C6,C8,O10,O12,O13 |