Dataset

METHYL HEPTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006540 contains the MS mass spectrum of METHYL HEPTANOATE with the InChIkey XNCNNDVCAUWAIT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
SMILES CCCCCCC(=O)OC
InChI Key XNCNNDVCAUWAIT-UHFFFAOYSA-N
Molecular Formula C8H16O2
Exact Mass 144.115 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-JP006540
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl heptanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:88620 chebi
    LMFA07010961 lipidmaps
    124702 surechembl
    7826 pubchem
    1J543V5703 fdasrs
    PD143530 probes_and_drugs
    BIPJIW CCDC
    215086 brenda
    HMDB0031478 hmdb
    Molport-003-926-591 molport
    The data in this table is sourced from UniChem at EBI.