Spectrum CCMSLIB00000479732 for Pyridoxine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
8059-24-3
1054
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
LXNHXLLTXMVWPM-UHFFFAOYSA-N
C8H11NO3
169.07389321199997
OC=1C(=NC=C(C1CO)CO)C

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
169.074
1
Pyridoxine2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.8605228104463581
0.44222124585974265
170.081
[M+H]+
5.0752994160694875 ppm
-8.632119999845145E-4 Da