Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C6H6N4/c7-5-1-3-6(4-2-5)9-10-8/h1-4H,7H2
SMILES Nc1ccc(cc1)N=N#N
InChI Key SSMVDPYHLFEAJE-UHFFFAOYSA-N
Molecular Formula C6H6N4
Exact Mass 134.139 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SSMVDPYHLFEAJE-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/SSMVDPYHLFEAJE-UHFFFAOYSA-N/Mass/EI
Version
Author Katharina Peschko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:00:08.936857
MetadataModified 2024-09-07T13:26:19.570801
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16336803 PubChem: Thomson Pharma
SCHEMBL411432 SureChEMBL
14860-64-1 ACToR
ZINC000012956370 ZINC
DTXSID80164033 EPA CompTox Dashboard
J227.217B Nikkaji
CHEMBL3236180 ChEMBL
84674 PubChem
The data in this table is sourced from UniChem at EBI.