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
    HMDB0031549 Human Metabolome Database
    CB7397123 ChemicalBook
    175415 Brenda
    128282 Brenda
    6O4A4A5F28 FDA SRS
    SCHEMBL35996 SureChEMBL
    20097620 NMRShiftDB
    8034 PubChem
    244311 Brenda
    16056143 PubChem: Thomson Pharma
    110-12-3 ACToR
    518663 eMolecules
    LMFA12000037 LipidMaps
    ZINC000002041073 ZINC
    88432 ChEBI
    DTXSID5021914 EPA CompTox Dashboard
    J36.968C Nikkaji
    CHEMBL45354 ChEMBL
    The data in this table is sourced from UniChem at EBI.