Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO/c1-8(2)12-11(13)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1C)C
InChI Key QEMAILGKGBKPKQ-UHFFFAOYSA-N
Molecular Formula C11H15NO
Exact Mass 177.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QEMAILGKGBKPKQ-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/QEMAILGKGBKPKQ-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-06
Related Molecule
  • 2-methyl-N-propan-2-ylbenzamide
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    850972 PubChem
    MCULE-2293116536 Mcule
    5362607 eMolecules
    SCHEMBL394511 SureChEMBL
    ZINC000000385665 ZINC
    The data in this table is sourced from UniChem at EBI.