Dataset

TERT-PENTYLBENZENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009117 contains the MS mass spectrum of TERT-PENTYLBENZENE with the InChIkey QHTJSSMHBLGUHV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
SMILES CCC(C)(C)c(c1)cccc1
InChI Key QHTJSSMHBLGUHV-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-JP009117
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-methylbutan-2-ylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20199645 NMRShiftDB
    SCHEMBL131593 SureChEMBL
    CB0706287 ChemicalBook
    16295 PubChem
    2049-95-8 ACToR
    14843006 PubChem: Thomson Pharma
    888940 eMolecules
    CHEMBL1797417 ChEMBL
    J47.201H Nikkaji
    DTXSID7051848 EPA CompTox Dashboard
    MCULE-5316481588 Mcule
    ZINC000001672956 ZINC
    ER8C1TON3X FDA SRS
    The data in this table is sourced from UniChem at EBI.