Methylparaben

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Systematic / IUPAC Name: Methyl 4-hydroxybenzoate

ID: Reference800

Other Names: Methyl paraben;
Benzoic acid, 4-hydroxy, methyl ester;
p-Hydroxybenzoic acid methyl ester;
4-Hydroxybenzoic acid methyl ester;
Methyl-p-hydroxybenzoate ; more

Formula: C8H8O3

Class: Endogenous Metabolites

Spectral Data

Methylparaben 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 122
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2015 2:56:05 PM
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Identificators

InChI InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChI Key LXCFILQKKLGQFO-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CC=C(C=C1)O
CAS 99763
Splash
Other Names Methyl paraben;
Benzoic acid, 4-hydroxy, methyl ester;
p-Hydroxybenzoic acid methyl ester;
4-Hydroxybenzoic acid methyl ester;
Methyl-p-hydroxybenzoate;
p-Hydroxybenzoic methyl ester;
Nipagin;
Aseptoform;
Maseptol;
Metaben;
Methaben;
Metoxyde;
Paridol;
Preserval;
Solbrol;
Moldex;
Septos;
Abiol;
Preserval M;
Tegosept M;
Nipagin M;
Solbrol M;
Tegosept

In Other Databases

PubChem 7456
Wikipedia Methylparaben
ChEMBL CHEMBL325372
ChEBI CHEBI:31835
ChemSpider 7176
ChemIDPlus 000099763; 005026620; 026112072
HMDb HMDB32572
KEGG D01400; D02458