Spectrum CCMSLIB00005464122 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
65-23-6
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
C8H11NO3
169.07389321199997
OC=1C(=NC=C(C1CO)CO)C
LXNHXLLTXMVWPM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
169.074
-1
MSV000084479/peak/mzXML/GNPS00005_D3_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
2.058136343232377
0.513592518539978
168.067
[M-H]-
2.2775916748942246 ppm
3.827880000244477E-4 Da