Spectrum CCMSLIB00000578147 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
1054
C8H11NO3
169.07389321199997
OC=1C(=NC=C(C1CO)CO)C
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

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
169.074
0
IROA_PLATE_ce_neg_1_G.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.8534721626488637
0.5562300143911065
168.066
[M-H]-
3.6724382086818697 ppm
-6.172119999803272E-4 Da