4-Methoxymandelic acid

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Systematic / IUPAC Name: 2-Hydroxy-2-(4-methoxyphenyl)acetic acid

ID: Reference13846

Other Names: AA-4325

Formula: C9H10O4

Class: Endogenous Metabolites

Spectral Data

4-Methoxymandelic 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 335
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/27/2026 9:41:53 PM
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Identificators

InChI InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
InChI Key ITECRQOOEQWFPE-UHFFFAOYSA-N
Canonical SMILES COc1ccc(C(O)C(=O)O)cc1
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Other Names AA-4325

In Other Databases

ChemSpider 100467
ChEMBL CHEMBL58565
PubChem 112056; 112056
HMDb HMDB0140294