Dataset

Piperonyl butoxide; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU229660 contains the MS2 mass spectrum of Piperonyl butoxide with the InChIkey FIPWRIJSWJWJAI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
SMILES CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
InChI Key FIPWRIJSWJWJAI-UHFFFAOYSA-N
Molecular Formula C19H30O5
Exact Mass 338.209 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-AU229660
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MetadataPublished 2019-03-28
Related Molecule
  • 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09350 drugbank
    CHEBI:32687 chebi
    CHEMBL1201131 chembl
    29386186 surechembl
    5490 surechembl
    5794 pubchem
    LWK91TU9AH fdasrs
    PD001237 probes_and_drugs
    35797 brenda
    44715 brenda
    HMDB0256579 hmdb
    Molport-003-849-944 molport
    4276 drugcentral
    181115 bindingdb
    The data in this table is sourced from UniChem at EBI.