β-Ionone

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Systematic / IUPAC Name: (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-2-one

ID: Reference13966

Other Names: AA-4800

Formula: C13H20O

Class: Endogenous Metabolites

Spectral Data

β-Ionone 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 1650
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/1/2026 3:40:51 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChI Key PSQYTAPXSHCGMF-BQYQJAHWSA-N
Canonical SMILES CC(=O)/C=C/C1=C(C)CCCC1(C)C
CAS
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Other Names AA-4800

In Other Databases

ChEMBL CHEMBL3184146
PubChem 638014; 638014
HMDb HMDB0036565; HMDB0036565
KEGG C12287
ChEBI CHEBI:32325
ChemSpider 553581
Wikipedia beta-Ionone