Processed databases
Atom-Mass pairs
Outputs for Pyridoxal 5-phosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100723
Synonyms: Pyridoxal 5'-phosphate, PLP, Pyridoxal-5P, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Pyromijin, Hairoxal, Pidopidon, Pyridoxal 5-phosphate
Total mass: 247.1415
Formula: P1 C8 H10 O6 N1
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:01.085920
Results for the quried mass "96.9697"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| P1C1O3 | 0.060 | 6 | 2 | C4,O12,O13,O15,P16 |
| C5O2 | 0.122 | 5 | 2 | C3,C4,C6,C7,C8,O10,O15 |
| C5O2 | 0.122 | 5 | 1 | C2,C3,C4,C6,C7,O10,O15 |
| C5O2 | 0.122 | 5 | 2 | C2,C3,C6,C7,C8,O10,O11 |
| C5O2 | 0.122 | 5 | 1 | C2,C4,C6,C7,C8,O11,O15 |
| C5O2 | 0.122 | 5 | 1 | C3,C4,C6,C7,C8,O11,O15 |
| C5O2 | 0.122 | 5 | 1 | C3,C4,C6,C7,C8,O10,O11 |
| C5O2 | 0.122 | 5 | 2 | C4,C5,C6,C7,C8,O11,O15 |
| C5O2 | 0.122 | 5 | 0 | C1,C3,C5,C7,C8,O10,O11 |
| C7N1 | 0.104 | 1 | 0 | C2,C3,C4,C5,C6,C7,C8,N9 |
| P1C4O1 | 0.062 | 2 | 0 | C4,C6,C7,C8,O15,P16 |
| P1C4O1 | 0.062 | 2 | 0 | C2,C4,C6,C7,O15,P16 |
| P1C4O1 | 0.062 | 2 | 0 | C3,C4,C6,C7,O15,P16 |
| C4O2N1 | 0.102 | 3 | 1 | C3,C5,C7,C8,N9,O10,O11 |
| P1C3O1N1 | 0.042 | 0 | 0 | C2,C4,C6,N9,O15,P16 |
| C5O1N1 | 0.145 | 7 | 1 | C1,C2,C4,C5,C6,N9,O15 |
| C5O1N1 | 0.145 | 7 | 2 | C1,C2,C5,C6,C8,N9,O11 |