Dataset

PHENYLETHYL NONANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007193 contains the MS mass spectrum of PHENYLETHYL NONANOATE with the InChIkey AFBMLGHBGGLHOF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26O2/c1-2-3-4-5-6-10-13-17(18)19-15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
SMILES CCCCCCCCC(=O)OCCc(c1)cccc1
InChI Key AFBMLGHBGGLHOF-UHFFFAOYSA-N
Molecular Formula C17H26O2
Exact Mass 262.193 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-JP007193
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MetadataPublished 2016-01-19
Related Molecule
  • 2-phenylethyl nonanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J155.074H Nikkaji
    DTXSID60206647 EPA CompTox Dashboard
    WZ9NFC5TZF FDA SRS
    93896 PubChem
    SCHEMBL873318 SureChEMBL
    57943-67-6 ACToR
    The data in this table is sourced from UniChem at EBI.