Dataset

Estragole; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002502 contains the MS2 mass spectrum of Estragole with the InChIkey ZFMSMUAANRJZFM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
SMILES COC1C=CC(CC=C)=CC=1
InChI Key ZFMSMUAANRJZFM-UHFFFAOYSA-N
Molecular Formula C10H12O
Exact Mass 148.089 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-EPA-ENTACT_AGILENT002502
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MetadataPublished 2023-09-19
Related Molecule
  • 1-methoxy-4-prop-2-enylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:4867 chebi
    CHEMBL470671 chembl
    57204 surechembl
    8815 pubchem
    9NIW07V3ET fdasrs
    PD000619 probes_and_drugs
    VUXJOO CCDC
    183533 brenda
    183534 brenda
    192253 brenda
    32431 brenda
    77010 brenda
    HMDB0034121 hmdb
    Molport-000-156-967 molport
    The data in this table is sourced from UniChem at EBI.