Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H10ClNO/c1-7-3-2-4-8(5-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
SMILES ClCC(=O)Nc1cccc(c1)C
InChI Key GYMACIQGUHXSLT-UHFFFAOYSA-N
Molecular Formula C9H10ClNO
Exact Mass 183.635 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYMACIQGUHXSLT-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/GYMACIQGUHXSLT-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-chloro-N-(3-methylphenyl)acetamide
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000001655665 ZINC
    GISGOF CCDC
    J1.395.865C Nikkaji
    DTXSID70304587 EPA CompTox Dashboard
    SCHEMBL4005968 SureChEMBL
    CHEMBL1998563 ChEMBL
    32428-61-8 ACToR
    440127 eMolecules
    16276019 PubChem: Thomson Pharma
    296325 PubChem
    MCULE-3949882094 Mcule
    The data in this table is sourced from UniChem at EBI.