Dataset

Methyl 5-chloro-5-oxovalerate; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR100853 contains the MS2 mass spectrum of Methyl 5-chloro-5-oxovalerate with the InChIkey JCAZSWWHFJVFPP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H9ClO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3
SMILES COC(=O)CCCC(=O)Cl
InChI Key JCAZSWWHFJVFPP-UHFFFAOYSA-N
Molecular Formula C6H9ClO3
Exact Mass 164.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR100853
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 5-chloro-5-oxopentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    48697 surechembl
    73916 pubchem
    U7H8283W54 fdasrs
    DTXSID60164470 comptox
    Molport-001-791-498 molport
    The data in this table is sourced from UniChem at EBI.