Processed databases
Atom-Mass pairs
Outputs for 4-Pyridoxic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
Database: Plant Science Center, RIKEN
Entry ID: PR100419
Synonyms: 4-Pyridoxate, 4-PA, 4-Pyridoxic acid, 4-Pyridoxylic acid, 4-Pyridoxinic acid, 4-Pyridoxinsaeure, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid
Total mass: 183.161
Formula: H9 C8 O4 N1
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 122.0239,
Processing time: 0:00:01.932740
Results for the quried mass "92.0497"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O2N1 | 0.017 | 2 | 0 | C4,C6,C7,C8,N9,O11,O12 |
| C4O2N1 | 0.017 | 2 | 1 | C4,C6,C7,C8,N9,O11,O13 |
| C4O2N1 | 0.017 | 2 | 0 | C2,C5,C6,C8,N9,O12,O13 |
| C4O2N1 | 0.017 | 2 | 1 | C4,C6,C7,C8,N9,O12,O13 |
| C6O1 | 0.045 | 4 | 0 | C2,C3,C4,C5,C6,C7,O10 |
| C6O1 | 0.045 | 4 | 2 | C2,C4,C5,C6,C7,C8,O12 |
| C6O1 | 0.045 | 4 | 0 | C2,C3,C5,C6,C7,C8,O12 |
| C6O1 | 0.045 | 4 | 1 | C2,C3,C5,C6,C7,C8,O13 |
| C6O1 | 0.045 | 4 | 0 | C2,C3,C5,C6,C7,C8,O11 |
| C6O1 | 0.045 | 4 | 0 | C2,C3,C5,C6,C7,C8,O10 |
| C6O1 | 0.045 | 4 | 1 | C3,C4,C5,C6,C7,C8,O12 |
| C6O1 | 0.045 | 4 | 2 | C3,C4,C5,C6,C7,C8,O13 |
| C6O1 | 0.045 | 4 | 1 | C3,C4,C5,C6,C7,C8,O10 |
| C6O1 | 0.045 | 4 | 0 | C1,C3,C4,C5,C6,C7,O10 |
| C6O1 | 0.045 | 4 | 0 | C1,C4,C5,C6,C7,C8,O12 |
| C6O1 | 0.045 | 4 | 1 | C1,C4,C5,C6,C7,C8,O13 |
| C6N1 | 0.069 | 6 | 2 | C1,C2,C4,C5,C6,C7,N9 |
| C6N1 | 0.069 | 6 | 2 | C1,C2,C4,C5,C6,C8,N9 |
| C5O1N1 | 0.026 | 2 | 0 | C1,C2,C3,C4,C5,N9,O10 |
| C5O2 | 0.003 | 0 | 0 | C2,C3,C5,C6,C7,O10,O11 |
| C5O2 | 0.003 | 0 | 0 | C2,C3,C5,C6,C8,O10,O12 |
| C5O2 | 0.003 | 0 | 0 | C2,C3,C5,C6,C8,O10,O13 |
| C5O2 | 0.003 | 0 | 0 | C2,C5,C6,C7,C8,O11,O12 |
| C5O2 | 0.003 | 0 | 0 | C2,C5,C6,C7,C8,O11,O13 |
| C5O2 | 0.003 | 0 | 0 | C3,C5,C6,C7,C8,O11,O12 |
| C5O2 | 0.003 | 0 | 0 | C3,C5,C6,C7,C8,O11,O13 |
| C5O2 | 0.003 | 0 | 0 | C3,C5,C6,C7,C8,O10,O12 |
| C5O2 | 0.003 | 0 | 0 | C3,C5,C6,C7,C8,O10,O13 |
| C5O2 | 0.003 | 0 | 0 | C3,C5,C6,C7,C8,O10,O11 |
| C5O2 | 0.003 | 0 | 0 | C3,C4,C5,C6,C7,O10,O11 |
| C5O2 | 0.003 | 0 | 0 | C1,C4,C6,C7,C8,O11,O12 |
| C5O2 | 0.003 | 0 | 0 | C1,C4,C6,C7,C8,O11,O13 |
| C5O2 | 0.003 | 0 | 0 | C4,C5,C6,C7,C8,O11,O12 |
| C5O2 | 0.003 | 0 | 0 | C4,C5,C6,C7,C8,O11,O13 |