Processed databases
Atom-Mass pairs
Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003835
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: 67.2, 69.1, 70.0, 73.1, 74.7, 78.9, 80.2, 81.2, 83.1, 83.9, 91.1, 93.1, 95.0, 97.0, 104.0, 105.8, 107.0, 109.3, 111.5, 120.1, 121.2, 122.9, 123.5, 137.4, 139.3, 148.9, 166.1,
Processing time: 0:00:03.080427
Results for the quried mass "89.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7 | 0.014 | 5 | 2 | C2,C3,C4,C5,C6,C7,C8 |
| C6O1 | 0.029 | 1 | 0 | C2,C3,C4,C5,C6,C7,O10 |
| C6O1 | 0.029 | 1 | 0 | C2,C4,C5,C6,C7,C8,O12 |
| C6O1 | 0.029 | 1 | 0 | C2,C4,C5,C6,C7,C8,O13 |
| C6O1 | 0.029 | 1 | 0 | C2,C3,C5,C6,C7,C8,O12 |
| C6O1 | 0.029 | 1 | 0 | C2,C3,C5,C6,C7,C8,O13 |
| C6O1 | 0.029 | 1 | 0 | C2,C3,C5,C6,C7,C8,O11 |
| C6O1 | 0.029 | 1 | 0 | C2,C3,C5,C6,C7,C8,O10 |
| C6O1 | 0.029 | 1 | 0 | C3,C4,C5,C6,C7,C8,O12 |
| C6O1 | 0.029 | 1 | 0 | C3,C4,C5,C6,C7,C8,O13 |
| C6O1 | 0.029 | 1 | 0 | C3,C4,C5,C6,C7,C8,O10 |
| C6O1 | 0.029 | 1 | 0 | C1,C3,C4,C5,C6,C7,O10 |
| C6O1 | 0.029 | 1 | 0 | C1,C4,C5,C6,C7,C8,O12 |
| C6O1 | 0.029 | 1 | 0 | C1,C4,C5,C6,C7,C8,O13 |
| C6N1 | 0.005 | 3 | 0 | C2,C3,C4,C5,C6,C7,N9 |
| C6N1 | 0.005 | 3 | 0 | C2,C3,C4,C5,C6,C8,N9 |
| C6N1 | 0.005 | 3 | 1 | C3,C4,C5,C6,C7,C8,N9 |
| C6N1 | 0.005 | 3 | 0 | C2,C3,C5,C6,C7,C8,N9 |
| C6N1 | 0.005 | 3 | 0 | C1,C2,C4,C5,C6,C7,N9 |
| C6N1 | 0.005 | 3 | 0 | C1,C2,C4,C5,C6,C8,N9 |
| C5O1N1 | 0.048 | 1 | 0 | C1,C2,C3,C4,C5,N9,O10 |