Dataset

PENTYL BENZENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008572 contains the MS mass spectrum of PENTYL BENZENE with the InChIkey PWATWSYOIIXYMA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
SMILES CCCCCc(c1)cccc1
InChI Key PWATWSYOIIXYMA-UHFFFAOYSA-N
Molecular Formula C11H16
Exact Mass 148.125 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-JP008572
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MetadataPublished 2016-01-19
Related Molecule
  • pentylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:176693 chebi
    3H2 rcsb_pdb
    35869 surechembl
    10864 pubchem
    5409M6Z67M fdasrs
    HURNUD CCDC
    175818 brenda
    266248 brenda
    3H2 pdbe
    HMDB0059834 hmdb
    Molport-001-762-349 molport
    The data in this table is sourced from UniChem at EBI.