Dataset

ETHYL PHENYLACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006146 contains the MS mass spectrum of ETHYL PHENYLACETATE with the InChIkey DULCUDSUACXJJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
SMILES CCOC(=O)Cc(c1)cccc1
InChI Key DULCUDSUACXJJC-UHFFFAOYSA-N
Molecular Formula C10H12O2
Exact Mass 164.084 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-JP006146
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl 2-phenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3183476 ChEMBL
    J2.846K Nikkaji
    7590 PubChem
    10008700 NMRShiftDB
    478220 eMolecules
    PD158318 ProbesDrugs
    SCHEMBL112999 SureChEMBL
    15237826 PubChem: Thomson Pharma
    101-97-3 ACToR
    180411 ChEBI
    V6CNZ04D8O FDA SRS
    DTXSID6044353 EPA CompTox Dashboard
    MCULE-6999453149 Mcule
    CB6701512 ChemicalBook
    HMDB0032618 Human Metabolome Database
    ZINC000000388060 ZINC
    The data in this table is sourced from UniChem at EBI.