Homovanillic acid

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Systematic / IUPAC Name: (4-Hydroxy-3-methoxyphenyl)acetic acid

ID: Reference1296

Other Names: Benzeneacetic acid, 4-hydroxy-3-methoxy-;
3-Methoxy-4-hydroxyphenylacetic acid;
Acetic acid, (4-hydroxy-3-methoxyphenyl)-;
3-Methoxy-4-hydroxyphenylacetate;
Vanillacetic acid ; more

Formula: C9H10O4

Class: Endogenous Metabolites

Spectral Data

Homovanillic 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 3
No. of Spectra 247
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 10:24:16 AM
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Identificators

InChI InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChI Key QRMZSPFSDQBLIX-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)CC(=O)O)O
CAS 306081
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Other Names Benzeneacetic acid, 4-hydroxy-3-methoxy-;
3-Methoxy-4-hydroxyphenylacetic acid;
Acetic acid, (4-hydroxy-3-methoxyphenyl)-;
3-Methoxy-4-hydroxyphenylacetate;
Vanillacetic acid;
4-Hydroxy-3-methoxybenzeneacetate;
Homovanilic acid

In Other Databases

ChemIDPlus 000306081
Wikipedia Homovanillic acid
PubChem 1738
KEGG C05582; C06045
ChemSpider 1675
HMDb HMDB00118
ChEBI CHEBI:545959
ChEMBL CHEMBL1562