Processed databases
Atom-Mass pairs
Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003837
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: 40.9, 45.0, 52.0, 54.0, 55.2, 57.0, 58.0, 66.1, 67.0, 69.2, 77.1, 79.3, 81.0, 92.1, 94.1, 96.1, 103.1, 104.0, 106.2, 107.0, 108.9, 122.2, 148.0,
Processing time: 0:00:02.713476
Results for the quried mass "102.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.053 | 2 | 0 | C3,C4,C5,C6,C7,C8,O10,O12 |
| C6O2 | 0.053 | 2 | 0 | C3,C4,C5,C6,C7,C8,O10,O13 |
| C6O2 | 0.053 | 2 | 0 | C1,C3,C4,C5,C6,C7,O10,O11 |
| C7N1 | 0.013 | 4 | 1 | C2,C3,C4,C5,C6,C7,C8,N9 |
| C7N1 | 0.013 | 4 | 0 | C1,C2,C4,C5,C6,C7,C8,N9 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C3,C4,C5,C6,C7,N9,O10 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C3,C4,C5,C6,C7,N9,O11 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C4,C5,C6,C7,C8,N9,O12 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C4,C5,C6,C7,C8,N9,O13 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C4,C5,C6,C7,C8,N9,O11 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C3,C4,C5,C6,C8,N9,O12 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C3,C4,C5,C6,C8,N9,O13 |
| C6O1N1 | 0.030 | 0 | 0 | C3,C4,C5,C6,C7,C8,N9,O12 |
| C6O1N1 | 0.030 | 0 | 0 | C3,C4,C5,C6,C7,C8,N9,O13 |
| C6O1N1 | 0.030 | 0 | 0 | C1,C2,C4,C5,C6,C7,N9,O11 |
| C6O1N1 | 0.030 | 0 | 0 | C1,C2,C4,C5,C6,C8,N9,O12 |
| C6O1N1 | 0.030 | 0 | 0 | C1,C2,C4,C5,C6,C8,N9,O13 |
| C6O1N1 | 0.030 | 0 | 0 | C2,C3,C4,C5,C6,C8,N9,O10 |
| C6O1N1 | 0.030 | 0 | 0 | C1,C2,C3,C4,C5,C7,N9,O10 |
| C6O1N1 | 0.030 | 0 | 0 | C1,C3,C4,C5,C6,C7,N9,O10 |
| C6O1N1 | 0.030 | 0 | 0 | C3,C4,C5,C6,C7,C8,N9,O10 |