Dataset

Caffeyl alcohol; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308136 contains the MS2 mass spectrum of Caffeyl alcohol with the InChIkey ZCKDCRKBURQZPT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2
SMILES OCC=CC1=CC(O)=C(O)C=C1
InChI Key ZCKDCRKBURQZPT-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308136
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 4-(3-hydroxyprop-1-enyl)benzene-1,2-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    361171 PubChem
    MTBLC86071 Metabolights
    DTXSID20326956 EPA CompTox Dashboard
    86071 ChEBI
    CB62648640 ChemicalBook
    The data in this table is sourced from UniChem at EBI.