Spectrum MoNA002296 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
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
169.073893212
OC=1C(=NC=C(C1CO)CO)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C8H11NO3
169.07389
169.07389
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.9394021516484625
0.7403491268778402
170.081128633939
[M+H]+
4.318986279746225 ppm
-7.345780610137354E-4 Da