Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H14N2O2S/c1-2-16-11(15)7-8-14-10-6-4-3-5-9(10)13-12(14)17/h3-6H,2,7-8H2,1H3,(H,13,17)
SMILES CCOC(=O)CCn1c(S)nc2c1cccc2
InChI Key PFXAQSNGKXYCJD-UHFFFAOYSA-N
Molecular Formula C12H14N2O2S
Exact Mass 250.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PFXAQSNGKXYCJD-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/PFXAQSNGKXYCJD-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-30
Related Molecule
  • ethyl 3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanoate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    61959294 PubChem
    The data in this table is sourced from UniChem at EBI.