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 "65.0396"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5 | 0.053 | 5 | 2 | C2,C3,C5,C6,C7 |
| C5 | 0.053 | 5 | 2 | C2,C3,C5,C6,C8 |
| C5 | 0.053 | 5 | 2 | C1,C4,C5,C6,C7 |
| C5 | 0.053 | 5 | 2 | C1,C4,C6,C7,C8 |
| C4O1 | 0.011 | 1 | 0 | C2,C5,C6,C7,O11 |
| C4O1 | 0.011 | 1 | 0 | C2,C5,C6,C8,O12 |
| C4O1 | 0.011 | 1 | 0 | C2,C5,C6,C8,O13 |
| C4O1 | 0.011 | 1 | 0 | C2,C3,C5,C6,O10 |
| C4O1 | 0.011 | 1 | 0 | C3,C5,C6,C7,O11 |
| C4O1 | 0.011 | 1 | 0 | C3,C5,C6,C8,O12 |
| C4O1 | 0.011 | 1 | 0 | C3,C5,C6,C8,O13 |
| C4O1 | 0.011 | 1 | 0 | C3,C5,C6,C7,O10 |
| C4O1 | 0.011 | 1 | 0 | C3,C5,C6,C8,O10 |
| C4O1 | 0.011 | 1 | 0 | C4,C6,C7,C8,O12 |
| C4O1 | 0.011 | 1 | 1 | C4,C6,C7,C8,O13 |
| C4O1 | 0.011 | 1 | 0 | C4,C5,C6,C7,O11 |
| C4O1 | 0.011 | 1 | 0 | C4,C6,C7,C8,O11 |
| C4O1 | 0.011 | 1 | 0 | C5,C6,C7,C8,O12 |
| C4O1 | 0.011 | 1 | 1 | C5,C6,C7,C8,O13 |
| C4O1 | 0.011 | 1 | 0 | C5,C6,C7,C8,O11 |
| C4N1 | 0.034 | 3 | 2 | C2,C4,C6,C7,N9 |
| C4N1 | 0.034 | 3 | 0 | C2,C3,C4,C5,N9 |
| C4N1 | 0.034 | 3 | 2 | C2,C4,C5,C7,N9 |
| C4N1 | 0.034 | 3 | 2 | C2,C4,C5,C6,N9 |
| C4N1 | 0.034 | 3 | 2 | C2,C5,C6,C7,N9 |
| C4N1 | 0.034 | 3 | 2 | C2,C5,C6,C8,N9 |
| C4N1 | 0.034 | 3 | 0 | C2,C3,C5,C6,N9 |
| C4N1 | 0.034 | 3 | 0 | C1,C2,C4,C5,N9 |
| C4N1 | 0.034 | 3 | 0 | C1,C4,C6,C7,N9 |
| C3O1N1 | 0.009 | 1 | 0 | C2,C4,C7,N9,O11 |
| C3O1N1 | 0.009 | 1 | 0 | C2,C3,C5,N9,O10 |
| C3O1N1 | 0.009 | 1 | 0 | C1,C4,C7,N9,O11 |
| C3O1N1 | 0.009 | 1 | 0 | C4,C6,C7,N9,O11 |