3-Hydroxyphenylacetic acid
202
Reference
3-Hydroxyphenylacetic acid Structure
Systematic / IUPAC Name: 2-(3-Hydroxyphenyl)acetic acid
ID: Reference202
Other Names:
3-Hydroxyphenylacetate;
(3-Hydroxyphenyl)acetic acid;
3-Hydroxybenzeneacetic acid;
m-Hydroxyphenylacetic acid;
Benzeneacetic acid, 3-hydroxy-
; more
Formula: C8H8O3
Class: Endogenous Metabolites
Spectral Data
3-Hydroxyphenylacetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 148 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/10/2016 1:07:16 PM |
Identificators
| InChI | InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) |
| InChI Key | FVMDYYGIDFPZAX-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC(=C1)O)CC(=O)O |
| CAS | 621374 |
| Splash | |
| Other Names |
3-Hydroxyphenylacetate; (3-Hydroxyphenyl)acetic acid; 3-Hydroxybenzeneacetic acid; m-Hydroxyphenylacetic acid; Benzeneacetic acid, 3-hydroxy-; Acetic acid, (m-hydroxyphenyl)-; 3-Hydroxyphenylaceticacid; m-Hydroxyphenylacetate; Acetic acid, 3-hydroxyphenyl- |
In Other Databases
| ChemSpider | 11624 |
| ChemIDPlus | 000621374 |
| HMDb | HMDB00440 |
| PubChem | 12122 |
| KEGG | C05593 |
| ChEMBL | CHEMBL190035 |
| ChEBI | CHEBI:17445 |