Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H10N2/c1-3-13-5-9-15(10-6-13)17-18-16-11-7-14(4-2)8-12-16/h1-2,5-12H/b18-17+
SMILES C#Cc1ccc(cc1)/N=N/c1ccc(cc1)C#C
InChI Key UWRWLWRXCLCEAL-ISLYRVAYSA-N
Molecular Formula C16H10N2
Exact Mass 230.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWRWLWRXCLCEAL-ISLYRVAYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/UWRWLWRXCLCEAL-ISLYRVAYSA-N/Mass/EI
Version
Author Katharina Peschko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:08:37.407477
MetadataModified 2024-09-07T13:38:55.040797
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
XOVCAM CCDC
J1.714.592D Nikkaji
ZINC000113193792 ZINC
DTXSID00476468 EPA CompTox Dashboard
SCHEMBL137428 SureChEMBL
103774869 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.