Dataset

Butyl lactate

This MassBank record with Accession MSBNK-Athens_Univ-AU501910 contains the MS2 mass spectrum of Butyl lactate with the InChIkey MRABAEUHTLLEML-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
SMILES CCCCOC(=O)C(C)O
InChI Key MRABAEUHTLLEML-UHFFFAOYSA-N
Molecular Formula C7H14O3
Exact Mass 146.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU501910
Version
Author
Maintainer
Language
MetadataPublished 2021-04-20
Related Molecule
  • butyl 2-hydroxypropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:169137 chebi
    CHEMBL3183988 chembl
    26742 surechembl
    8738 pubchem
    0UI63W814U fdasrs
    HMDB0040254 hmdb
    DTXSID7042196 comptox
    FDB019971 foodb
    Molport-001-788-413 molport
    The data in this table is sourced from UniChem at EBI.