Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H10N2O/c13-11-4-2-1-3-10(11)12(15)9-5-7-14-8-6-9/h1-8H,13H2
SMILES Nc1ccccc1C(=O)c1ccncc1
InChI Key MOPYXHGIWARXCY-UHFFFAOYSA-N
Molecular Formula C12H10N2O
Exact Mass 198.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MOPYXHGIWARXCY-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/MOPYXHGIWARXCY-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:04:36.929236
MetadataModified 2024-09-07T17:50:41.296686
MetadataPublished 2020-04-30
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL669460 SureChEMBL
24762441 PubChem: Thomson Pharma
14005182 PubChem
J3.082.716C Nikkaji
ZINC000034204402 ZINC
The data in this table is sourced from UniChem at EBI.