Dataset

GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002625 contains the MS mass spectrum of GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER with the InChIkey ZZUYIRISBMWFMV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
SMILES COC(=O)CCCCl
InChI Key ZZUYIRISBMWFMV-UHFFFAOYSA-N
Molecular Formula C5H9ClO2
Exact Mass 136.029 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-JP002625
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-chlorobutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    83390 surechembl
    76612 pubchem
    RKL29JT5L9 fdasrs
    DTXSID7062873 comptox
    Molport-001-791-984 molport
    The data in this table is sourced from UniChem at EBI.