Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
SMILES NN=C(c1ccccc1)c1ccccc1
InChI Key QYCSNMDOZNUZIT-UHFFFAOYSA-N
Molecular Formula C13H12N2
Exact Mass 196.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QYCSNMDOZNUZIT-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/QYCSNMDOZNUZIT-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:47:34.394938
MetadataModified 2024-09-08T03:47:34.394946
MetadataPublished 2024-05-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
480159 eMolecules
CHEMBL1881268 ChEMBL
20208249 NMRShiftDB
J1.834A Nikkaji
MCULE-4131077826 Mcule
79304 PubChem
SCHEMBL1141828 SureChEMBL
5350-57-2 ACToR
15364743 PubChem: Thomson Pharma
ZINC000000270781 ZINC
DTXSID6063806 EPA CompTox Dashboard
ICOFAJ CCDC
CB0344340 ChemicalBook
S2WWI81YAL FDA SRS
The data in this table is sourced from UniChem at EBI.