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
    MCULE-8118768843 Mcule
    ZINC000001699444 ZINC
    3H2 PDBe
    176693 ChEBI
    HURNUD CCDC
    J6.376B Nikkaji
    DTXSID6022054 EPA CompTox Dashboard
    478867 eMolecules
    5409M6Z67M FDA SRS
    538-68-1 ACToR
    27458-20-4 ACToR
    16214218 PubChem: Thomson Pharma
    175818 Brenda
    20025123 NMRShiftDB
    HMDB0059834 Human Metabolome Database
    CB9339077 ChemicalBook
    SCHEMBL35869 SureChEMBL
    10864 PubChem
    The data in this table is sourced from UniChem at EBI.