Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C4H10N2O/c5-3-1-2-4(6)7/h1-3,5H2,(H2,6,7)
SMILES NCCCC(=O)N
InChI Key WCVPFJVXEXJFLB-UHFFFAOYSA-N
Molecular Formula C4H10N2O
Exact Mass 102.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WCVPFJVXEXJFLB-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/WCVPFJVXEXJFLB-UHFFFAOYSA-N/Mass/EI
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:38:16.012142
MetadataModified 2024-09-07T12:53:41.896885
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14747431 PubChem: Thomson Pharma
18615 PubChem
3251-08-9 ACToR
221668 Brenda
SCHEMBL24276313 SureChEMBL
MCULE-8262250872 Mcule
SCHEMBL3105 SureChEMBL
J65.812J Nikkaji
ZINC000002027378 ZINC
DTXSID80186235 EPA CompTox Dashboard
120672 Brenda
31745 Brenda
45538 Brenda
CHEMBL1199935 ChEMBL
29849938 eMolecules
The data in this table is sourced from UniChem at EBI.