Dataset

ALPHA-ACETYL DELTA-VALEROLACTONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002955 contains the MS mass spectrum of ALPHA-ACETYL DELTA-VALEROLACTONE with the InChIkey DRBJCTHMAXSQQA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10O3/c1-5(8)6-3-2-4-10-7(6)9/h6H,2-4H2,1H3
SMILES CC(=O)C(C1)C(=O)OCC1
InChI Key DRBJCTHMAXSQQA-UHFFFAOYSA-N
Molecular Formula C7H10O3
Exact Mass 142.063 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-JP002955
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-acetyloxan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID30466039 EPA CompTox Dashboard
    J46.554B Nikkaji
    11446390 PubChem
    16544801 PubChem: Thomson Pharma
    SCHEMBL535757 SureChEMBL
    The data in this table is sourced from UniChem at EBI.