4-Hydroxy-3- methoxyphenylglycol sulfate

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Systematic / IUPAC Name: 4-(1,2-Dihydroxyethyl)-2-methoxyphenyl hydrogen sulfate

ID: Reference1686

Other Names: MOPEG sulfate;
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate;
1,2-Ethanediol, 1-[3-methoxy-4-(sulfooxy)phenyl]-;
3-Methoxy-4-hydroxyphenylglycol 4-sulfate;
(3-Methoxy-4-hydroxyphenyl)glycol O-sulfate ; more

Formula: C9H12O7S

Class: Endogenous Metabolites

Spectral Data

4-Hydroxy-3- methoxyphenylglycol sulfate 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
No. of Spectral Trees 1
No. of Spectra 216
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 2/12/2015 3:48:00 PM
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Identificators

InChI InChI=1S/C9H12O7S/c1-15-9-4-6(7(11)5-10)2-3-8(9)16-17(12,13)14/h2-4,7,10-11H,5H2,1H3,(H,12,13,14)
InChI Key WUFPNASKMLJSND-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)C(CO)O)OS(=O)(=O)O
CAS 3415676
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Other Names MOPEG sulfate;
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate;
1,2-Ethanediol, 1-[3-methoxy-4-(sulfooxy)phenyl]-;
3-Methoxy-4-hydroxyphenylglycol 4-sulfate;
(3-Methoxy-4-hydroxyphenyl)glycol O-sulfate;
(3-Methoxy-4-hydroxyphenyl)glycol sulfate ester;
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate;
3-Methoxy-4-hydroxyphenylethyleneglycol sulfic acid

In Other Databases

ChemIDPlus 003415676
ChemSpider 4039
PubChem 4183
ChEMBL CHEMBL1567131
HMDb HMDB00559