Pyridoxal

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Systematic / IUPAC Name: 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde

ID: Reference567

Other Names: 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde;
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde

Formula: C8H9NO3

Class: Endogenous Metabolites

Spectral Data

Pyridoxal mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 185
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 2/6/2015 2:53:49 PM
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Identificators

InChI InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
InChI Key RADKZDMFGJYCBB-UHFFFAOYSA-N
Canonical SMILES CC1=NC=C(C(=C1O)C=O)CO
CAS 66728
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Other Names 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde;
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde

In Other Databases

Wikipedia Pyridoxal
HMDb HMDB01545
PubChem 1050
KEGG C00250
ChemSpider 1021
ChEMBL CHEMBL102970
ChemIDPlus 000066728
ChEBI CHEBI:17310