Spectrum FiehnHILIC002284 for Pyridoxine

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  • Originally submitted to the Fiehn Lab HILIC Library

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
169.07389321199997
OC=1C(=NC=C(C1CO)CO)C
LXNHXLLTXMVWPM-UHFFFAOYSA-N
C8H11NO3
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
M + 0
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5891074410286283
0.39304657194707077
170.0816
[M+H]+
-2.6321199996459654E-4 Da
15 eV
331
positive
3.313133
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
1.5475630518797832 ppm