Dataset

ISOPENTYL METHYL KETONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001807 contains the MS mass spectrum of ISOPENTYL METHYL KETONE with the InChIkey FFWSICBKRCICMR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
SMILES CC(C)CCC(C)=O
InChI Key FFWSICBKRCICMR-UHFFFAOYSA-N
Molecular Formula C7H14O
Exact Mass 114.104 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-JP001807
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-methylhexan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:88432 chebi
    LMFA12000037 lipidmaps
    CHEMBL45354 chembl
    35996 surechembl
    7541851 surechembl
    8034 pubchem
    6O4A4A5F28 fdasrs
    128282 brenda
    175415 brenda
    244311 brenda
    HMDB0031549 hmdb
    Molport-001-759-248 molport
    The data in this table is sourced from UniChem at EBI.