Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H4N4/c6-9-8-5-3-1-2-4-7-5/h1-4H
SMILES N#[N+][N-]c1ccccn1
InChI Key DIABUJYZLNKYQJ-UHFFFAOYSA-N
Molecular Formula C5H4N4
Exact Mass 120.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIABUJYZLNKYQJ-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/DIABUJYZLNKYQJ-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:08:32.763166
MetadataModified 2024-09-07T13:38:47.771786
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10964472 PubChem
SCHEMBL247460 SureChEMBL
16019682 PubChem: Thomson Pharma
SCHEMBL16040152 SureChEMBL
ZINC000072230801 ZINC
J544.320B Nikkaji
DTXSID80449938 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.