5-Methoxysalicylic acid

enlarge

Systematic / IUPAC Name: 2-Hydroxy-5-methoxybenzoic acid

ID: Reference261

Other Names: 6-Hydroxy-m-anisic acid;
5-Methoxy-2-hydroxybenzoic acid;
Benzoic acid, 2-hydroxy-5-methoxy-;
m-Anisic acid, 6-hydroxy-;
5-Methoxysalicylate ; more

Formula: C8H8O4

Class: Endogenous Metabolites

Spectral Data

5-Methoxysalicylic 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 Elite
No. of Spectral Trees 2
No. of Spectra 295
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 3:58:18 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key IZZIWIAOVZOBLF-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=C(C=C1)O)C(=O)O
CAS 2612024
Splash
Other Names 6-Hydroxy-m-anisic acid;
5-Methoxy-2-hydroxybenzoic acid;
Benzoic acid, 2-hydroxy-5-methoxy-;
m-Anisic acid, 6-hydroxy-;
5-Methoxysalicylate;
6-Hydroxy-m-anisate;
5-Methoxy-2-hydroxybenzoate

In Other Databases

ChemIDPlus 002612024; 025832717
HMDb HMDB01868; HMDB01868
ChEMBL CHEMBL452949
ChemSpider 68296
PubChem 75787