4-Hydroxy-6-methyl-2-pyrone

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Systematic / IUPAC Name: 4-Hydroxy-6-methyl-2H-pyran-2-one

ID: Reference1754

Other Names: Triacetic acid lactone;
2H-Pyran-2-one, 4-hydroxy-6-methyl-;
6-Methyl-4-hydroxypyron-(2);
3,5-Dihydroxysorbic acid δ-lactone;
4-Hydroxy-6-methyl-2-oxo-2H-pyran

Formula: C6H6O3

Class: Endogenous Metabolites

Spectral Data

4-Hydroxy-6-methyl-2-pyrone 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 2
No. of Spectra 146
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 4:37:22 PM
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Identificators

InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChI Key NSYSSMYQPLSPOD-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=CC(=O)O1)O
CAS 675105
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Other Names Triacetic acid lactone;
2H-Pyran-2-one, 4-hydroxy-6-methyl-;
6-Methyl-4-hydroxypyron-(2);
3,5-Dihydroxysorbic acid δ-lactone;
4-Hydroxy-6-methyl-2-oxo-2H-pyran;
Triacetate lactone

In Other Databases

ChEBI CHEBI:16458
KEGG C02752
ChEMBL CHEMBL54907
Wikipedia Triacetic acid lactone
ChemSpider 10229807
PubChem 54675757