Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H10N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,16,17)
SMILES O=c1[nH]c2ccccc2nc1c1ccccc1
InChI Key ZBBQSGVRBQKLLE-UHFFFAOYSA-N
Molecular Formula C14H10N2O
Exact Mass 222.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/Mass/EI.1
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:19:39.739759
MetadataModified 2024-09-07T14:13:10.535982
MetadataPublished 2016-04-05
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1392897 ChEMBL
108113 ChEBI
DTXSID60323944 EPA CompTox Dashboard
56750 BindingDB
J466.201F Nikkaji
MUYQUU CCDC
919675 eMolecules
2176538 eMolecules
MCULE-4361151617 Mcule
346902 PubChem
20182089 NMRShiftDB
SCHEMBL1901480 SureChEMBL
ZINC000017945129 ZINC
LSM-19490 LINCS
1504-78-5 ACToR
The data in this table is sourced from UniChem at EBI.