Dataset

Galaxolidone

This MassBank record with Accession MSBNK-Athens_Univ-AU205302 contains the MS2 mass spectrum of Galaxolidone with the InChIkey PGMHPYRIXBRRQD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H24O2/c1-10-9-20-16(19)13-8-15-14(7-12(10)13)17(3,4)11(2)18(15,5)6/h7-8,10-11H,9H2,1-6H3
SMILES CC1C(C)(C)c2cc3C(C)COC(=O)c3cc2C1(C)C
InChI Key PGMHPYRIXBRRQD-UHFFFAOYSA-N
Molecular Formula C18H24O2
Exact Mass 272.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU205302
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:41:50.607520
MetadataModified 2024-01-11T09:41:50.754120
MetadataPublished 2015-12-02
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL4657606 SureChEMBL
69131857 PubChem
J2.073.523F Nikkaji
MTBLC83519 Metabolights
DTXSID10881089 EPA CompTox Dashboard
83519 ChEBI
The data in this table is sourced from UniChem at EBI.