Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H12FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1F)C
InChI Key XPLIUIMHBPMEQW-UHFFFAOYSA-N
Molecular Formula C10H12FNO
Exact Mass 181.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XPLIUIMHBPMEQW-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/XPLIUIMHBPMEQW-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-06
Related Molecule
  • 2-fluoro-N-propan-2-ylbenzamide
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3377192 SureChEMBL
    ZINC000003164081 ZINC
    MCULE-2094048043 Mcule
    3468072 PubChem
    The data in this table is sourced from UniChem at EBI.