Phenylglyoxal

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Systematic / IUPAC Name: 2-Oxo-2-phenylacetaldehyde

ID: Reference13913

Other Names: AA-4229

Formula: C8H6O2

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 775
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 9:47:17 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
InChI Key OJUGVDODNPJEEC-UHFFFAOYSA-N
Canonical SMILES O=CC(=O)c1ccccc1
CAS
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Other Names AA-4229

In Other Databases

PubChem 14090; 14090
HMDb HMDB0061916
ChEMBL CHEMBL233632
ChemSpider CDF-DXK-LDF-46; 13470
ChEBI CHEBI:88868
Wikipedia Phenylglyoxal