DL-Mandelic acid

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Systematic / IUPAC Name: DL-2-Hydroxy-2-phenylacetic acid

ID: Reference1359

Other Names: 2-Phenylglycolic acid;
Phenylhydroxyacetic acid;
α-Hydroxy-α-toluic acid;
Glycolic acid, phenyl-;
Benzeneacetic acid, α-hydroxy- ; more

Formula: C8H8O3

Class: Endogenous Metabolites

Spectral Data

DL-Mandelic acid 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; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 174
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 8:30:40 AM
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Identificators

InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChI Key IWYDHOAUDWTVEP-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(C(=O)O)O
CAS 614755
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Other Names 2-Phenylglycolic acid;
Phenylhydroxyacetic acid;
α-Hydroxy-α-toluic acid;
Glycolic acid, phenyl-;
Benzeneacetic acid, α-hydroxy-;
2-Phenyl-2-hydroxyacetic acid;
DL-Hydroxy(phenyl)acetic acid;
α-Hydroxybenzeneacetic acid;
α-Toluic acid, α-hydroxy-;
DL-Mandelic acid;
Amygdalic acid;
Almond acid;
Uromaline;
(RS)-Mandelic acid;
Paramandelic acid;
Samma

In Other Databases

ChEBI CHEBI:35825
HMDb HMDB00669
ChemIDPlus 000114216; 000134952; 000090642; 000587235; 019944537; 069470377; 018937332; 006591599; 015731165; 019401639
Wikipedia Mandelic acid
ChemSpider 1253
KEGG D00856
PubChem 1292
ChEMBL CHEMBL1609