Dataset

Rotenone

This MassBank record with Accession MSBNK-Eawag-EQ01130707 contains the MS2 mass spectrum of Rotenone with the InChIkey JUVIOZPCNVVQFO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
SMILES CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC
InChI Key JUVIOZPCNVVQFO-UHFFFAOYSA-N
Molecular Formula C23H22O6
Exact Mass 394.142 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-Eawag-EQ01130707
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:25:52.939700
MetadataModified 2025-02-09T09:43:15.373876
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5102 PubChem
60015805 NMRShiftDB
PD046091 ProbesDrugs
SCHEMBL9815546 SureChEMBL
163475592 PubChem: Thomson Pharma
730748 eMolecules
MCULE-9222232228 Mcule
CHEMBL418710 ChEMBL
The data in this table is sourced from UniChem at EBI.