Dataset

ALLYL PHENYLACETATE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005216 contains the MS mass spectrum of ALLYL PHENYLACETATE with the InChIkey ZCDYAMJXVAUTIM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
SMILES C=CCOC(=O)Cc(c1)cccc1
InChI Key ZCDYAMJXVAUTIM-UHFFFAOYSA-N
Molecular Formula C11H12O2
Exact Mass 176.084 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-Fac_Eng_Univ_Tokyo-JP005216
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • prop-2-enyl 2-phenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    595503 eMolecules
    SCHEMBL203679 SureChEMBL
    3D2NBC7K7Q FDA SRS
    85259817 PubChem: Thomson Pharma
    1797-74-6 ACToR
    HMDB0036905 Human Metabolome Database
    CB6293280 ChemicalBook
    168585 ChEBI
    J33.470G Nikkaji
    DTXSID8061977 EPA CompTox Dashboard
    ZINC000001693643 ZINC
    15717 PubChem
    The data in this table is sourced from UniChem at EBI.