Dataset

METHYL LEVULINATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009021 contains the MS mass spectrum of METHYL LEVULINATE with the InChIkey UAGJVSRUFNSIHR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
SMILES COC(=O)CCC(C)=O
InChI Key UAGJVSRUFNSIHR-UHFFFAOYSA-N
Molecular Formula C6H10O3
Exact Mass 130.063 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-JP009021
Version
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Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-oxopentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:173521 chebi
    134985 surechembl
    69354 pubchem
    3Q95S830W6 fdasrs
    PD214414 probes_and_drugs
    HMDB0041602 hmdb
    DTXSID80211455 comptox
    Molport-003-937-755 molport
    The data in this table is sourced from UniChem at EBI.