Dataset

Galaxolide

This MassBank record with Accession MSBNK-Athens_Univ-AU244903 contains the MS2 mass spectrum of Galaxolide with the InChIkey ONKNPOPIGWHAQC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
SMILES CC1C(C)(C)C2=CC3=C(C=C2C1(C)C)C(C)COC3
InChI Key ONKNPOPIGWHAQC-UHFFFAOYSA-N
Molecular Formula C18H26O
Exact Mass 258.198 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU244903
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:14:43.688674
MetadataModified 2025-02-08T19:04:24.555785
MetadataPublished 2019-04-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91497 PubChem
1222-05-5 ACToR
14798910 PubChem: Thomson Pharma
SCHEMBL115118 SureChEMBL
60994 Brenda
196809 Brenda
CHEMBL1883305 ChEMBL
83784 ChEBI
HMDB0244470 Human Metabolome Database
14170060AT FDA SRS
J13.040K Nikkaji
HEXAMETHYLINDANOPYRAN rxnorm
DTXSID8027373 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.