Dataset

Ethyl 3-(N-butylacetamido)propanoate; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01142106 contains the MS2 mass spectrum of Ethyl 3-(N-butylacetamido)propanoate with the InChIkey VZRKEAFHFMSHCD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
SMILES CCCCN(CCC(=O)OCC)C(=O)C
InChI Key VZRKEAFHFMSHCD-UHFFFAOYSA-N
Molecular Formula C11H21NO3
Exact Mass 215.152 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-Eawag-EQ01142106
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MetadataPublished 2023-08-10
Related Molecule
  • ethyl 3-[acetyl(butyl)amino]propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81991 chebi
    CHEMBL2230259 chembl
    16475 surechembl
    104150 pubchem
    65GQA237EH fdasrs
    PD220106 probes_and_drugs
    HMDB0246904 hmdb
    Molport-005-932-296 molport
    The data in this table is sourced from UniChem at EBI.