Dataset

Rotenone; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

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

Chemical Information

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
MetadataPublished 2023-04-27
Related Molecule
  • 16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL418710 chembl
    29351552 surechembl
    9815546 surechembl
    5102 pubchem
    PD046091 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.