Processed databases
Atom-Mass pairs
Related entries (identical compound):
PR100196
PR100602
KO001639
KO001640
KO003753
KO003757
KO003756
KO003755
KO003754
KO001638
KO001636
KO001637
JP006258
OUF00436
KZ000070
PR010229
Outputs for Pyridoxine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100602
Synonyms: Pyridoxine, Vitamin B6, Pyridoxol, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyroxin, Naturetime B6, Adermine, Gravidox, Hydoxin, -Hydroxy-4,5-dimethylol-alpha-picoline, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pridoxine
Total mass: 169.1774
Formula: H11 C8 O3 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: 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: 108.0459, 122.0613,
Processing time: 0:00:01.103482
Queried mass list: ['92.051', '107.038', '121.054', '138.056', '150.056', '162.841', '166.050', '168.066']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 92.0508 (link to fragments) | 2 | 3 |
| 107.0385 (link to fragments) | 2 | 3 |
| 121.0541 (link to fragments) | 2 | 3 |
| 138.0564 (link to fragments) | 3 | 5 |
| 150.0563 (link to fragments) | 3 | 6 |
| 162.8412 (link to fragments) | 1 | 1 |
| 166.0502 (link to fragments) | 1 | 1 |
| 168.0661 (link to fragments) | 1 | 1 |