Dataset

mass spectrometry (MS)

dataset for mass spectrometry (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/CHMO0000470.3
License URL
Source https://www.chemotion-repository.net/inchikey/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000470.3
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:18:59.950401
MetadataModified 2024-09-08T04:18:59.950406
MetadataPublished 2024-07-31
Related Molecule
  • 3-phenyl-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    919675 eMolecules
    2176538 eMolecules
    346902 PubChem
    1504-78-5 ACToR
    LSM-19490 LINCS
    SCHEMBL1901480 SureChEMBL
    MCULE-4361151617 Mcule
    20182089 NMRShiftDB
    ZINC000017945129 ZINC
    CHEMBL1392897 ChEMBL
    DTXSID60323944 EPA CompTox Dashboard
    108113 ChEBI
    MUYQUU CCDC
    J466.201F Nikkaji
    56750 BindingDB
    The data in this table is sourced from UniChem at EBI.