Dataset

VALERIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004291 contains the MS mass spectrum of VALERIC ACID METHYL ESTER with the InChIkey HNBDRPTVWVGKBR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
SMILES CCCCC(=O)OC
InChI Key HNBDRPTVWVGKBR-UHFFFAOYSA-N
Molecular Formula C6H12O2
Exact Mass 116.084 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-JP004291
Version
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Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl pentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL51016 SureChEMBL
    10016826 NMRShiftDB
    DTXSID9060784 EPA CompTox Dashboard
    LMFA07010966 LipidMaps
    ZINC000002034321 ZINC
    BIPJAO CCDC
    J43.509K Nikkaji
    HMDB0031207 Human Metabolome Database
    100924 Brenda
    CB5733134 ChemicalBook
    482446 eMolecules
    624-24-8 ACToR
    12206 PubChem
    14940488 PubChem: Thomson Pharma
    ZW21JJJ9VN FDA SRS
    The data in this table is sourced from UniChem at EBI.