Dataset

METHYL HEXANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003222 contains the MS mass spectrum of METHYL HEXANOATE with the InChIkey NUKZAGXMHTUAFE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
SMILES CCCCCC(=O)OC
InChI Key NUKZAGXMHTUAFE-UHFFFAOYSA-N
Molecular Formula C7H14O2
Exact Mass 130.099 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-JP003222
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl hexanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:77322 chebi
    LMFA07010433 lipidmaps
    124681 surechembl
    7824 pubchem
    246364VPJS fdasrs
    PD143367 probes_and_drugs
    BIPJES CCDC
    144888 brenda
    34409 brenda
    47975 brenda
    HMDB0035238 hmdb
    DTXSID0047616 comptox
    Molport-003-927-919 molport
    The data in this table is sourced from UniChem at EBI.