Processed databases
Atom-Mass pairs
Outputs for 4-Pyridoxic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
Database: Plant Science Center, RIKEN
Entry ID: PR100418
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:
Processing time: 0:00:02.173615
Results for the quried mass "166.0498"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O4N1 | 0.061 | 4 | 0 | C1,C3,C4,C5,C6,C7,C8,N9,O10,O11,O12,O13 |
| C7O4N1 | 0.061 | 4 | 0 | C2,C3,C4,C5,C6,C7,C8,N9,O10,O11,O12,O13 |
| C8O4 | 0.081 | 6 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10,O11,O12,O13 |
| C8O3N1 | 0.104 | 8 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,N9,O11,O12,O13 |
| C8O3N1 | 0.104 | 8 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,N9,O10,O12,O13 |
| C8O3N1 | 0.104 | 8 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,N9,O10,O11,O13 |
| C8O3N1 | 0.104 | 8 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,N9,O10,O11,O12 |