Processed databases
Atom-Mass pairs
Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003836
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: 55.0, 56.3, 57.1, 58.4, 65.9, 67.2, 68.9, 73.1, 76.6, 77.1, 79.2, 81.2, 82.1, 84.1, 90.8, 93.0, 94.1, 96.0, 96.8, 102.9, 104.0, 105.9, 107.1, 109.2, 111.1, 121.3, 122.2, 137.3, 138.0, 148.3,
Processing time: 0:00:02.827544
Results for the quried mass "83.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.012 | 5 | 0 | C1,C2,C4,C7,N9,O11 |
| C3O3 | 0.078 | 1 | 0 | C6,C7,C8,O11,O12,O13 |
| C4O2 | 0.035 | 3 | 1 | C2,C5,C6,C8,O12,O13 |
| C4O2 | 0.035 | 3 | 0 | C3,C5,C6,C7,O10,O11 |
| C4O2 | 0.035 | 3 | 0 | C3,C5,C6,C8,O12,O13 |
| C4O2 | 0.035 | 3 | 0 | C3,C5,C6,C8,O10,O12 |
| C4O2 | 0.035 | 3 | 0 | C3,C5,C6,C8,O10,O13 |
| C4O2 | 0.035 | 3 | 1 | C4,C6,C7,C8,O11,O12 |
| C4O2 | 0.035 | 3 | 1 | C5,C6,C7,C8,O11,O12 |