Dataset

Prallethrin; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00321603 contains the MS2 mass spectrum of Prallethrin with the InChIkey SMKRKQBMYOFFMU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3
SMILES CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C
InChI Key SMKRKQBMYOFFMU-UHFFFAOYSA-N
Molecular Formula C19H24O3
Exact Mass 300.173 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-EQ00321603
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MetadataPublished 2024-06-14
Related Molecule
  • (2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9839306 PubChem
    14800475 PubChem: Thomson Pharma
    SCHEMBL25223 SureChEMBL
    PD085433 ProbesDrugs
    6879963 eMolecules
    HMDB0256730 Human Metabolome Database
    DTXSID0032572 EPA CompTox Dashboard
    J23.765E Nikkaji
    CB4471390 ChemicalBook
    39391 ChEBI
    C18510 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.