Dataset

N-Acetylcaprolactam; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01142209 contains the MS2 mass spectrum of N-Acetylcaprolactam with the InChIkey QISSLHPKTCLLDL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
SMILES CC(=O)N1CCCCCC1=O
InChI Key QISSLHPKTCLLDL-UHFFFAOYSA-N
Molecular Formula C8H13NO2
Exact Mass 155.095 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-EQ01142209
Version
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Maintainer
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MetadataPublished 2023-08-10
Related Molecule
  • 1-acetylazepan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:182373 chebi
    CHEMBL12355 chembl
    18566 surechembl
    15904 pubchem
    171CCE77J8 fdasrs
    Molport-002-501-764 molport
    The data in this table is sourced from UniChem at EBI.