Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
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. |