(S)-Mandelic acid

enlarge

Systematic / IUPAC Name: (2S)-2-Hydroxy-2-phenylacetic acid

ID: Reference13837

Other Names: L-(+)-Mandelic acid;
AA-4253

Formula: C8H8O3

Class: Endogenous Metabolites

Spectral Data

(S)-Mandelic acid 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 1
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/27/2026 7:29:17 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChI Key IWYDHOAUDWTVEP-ZETCQYMHSA-N
Canonical SMILES O=C(O)[C@@H](O)c1ccccc1
CAS
Splash
Other Names L-(+)-Mandelic acid;
AA-4253

In Other Databases

ChemSpider 388690
HMDb HMDB0000703; HMDB0000703
KEGG C01984
ChEMBL CHEMBL58910
PubChem 439616; 439616
DrugBank DB02280; DB02280
ChEBI CHEBI:32800