Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)
SMILES OCC1CCC(=O)N1
InChI Key HOBJEFOCIRXQKH-UHFFFAOYSA-N
Molecular Formula C5H9NO2
Exact Mass 115.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HOBJEFOCIRXQKH-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/HOBJEFOCIRXQKH-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-30
Related Molecule
  • 5-(hydroxymethyl)pyrrolidin-2-one
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    210598 surechembl
    558359 pubchem
    HMDB0246731 hmdb
    DTXSID10339752 comptox
    Molport-000-004-281 molport
    The data in this table is sourced from UniChem at EBI.