Spectrum MoNA032604 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
LXNHXLLTXMVWPM-UHFFFAOYSA-N
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C8H11NO3
positive
20 eV
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.3687566395811328
0.5054399061819578
170.0811692
[M+H]+
4.080475241513831 ppm
-6.940119999683247E-4 Da