Dataset

10,11-Dihydro-10,11-epoxycarbamazepine; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111011713 contains the MS2 mass spectrum of 10,11-Dihydro-10,11-epoxycarbamazepine with the InChIkey ZRWWEEVEIOGMMT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
SMILES C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
InChI Key ZRWWEEVEIOGMMT-UHFFFAOYSA-N
Molecular Formula C15H12N2O2
Exact Mass 252.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111011713
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL156675 SureChEMBL
    HMDB0060658 Human Metabolome Database
    DTXSID60891456 EPA CompTox Dashboard
    CB4364889 ChemicalBook
    MTBLC3388 Metabolights
    152719 Brenda
    36507-30-9 ACToR
    QC9505F279 FDA SRS
    PD150976 ProbesDrugs
    2555 PubChem
    15221237 PubChem: Thomson Pharma
    536095 eMolecules
    C07496 KEGG Ligand
    CHEMBL1258 ChEMBL
    J9.164B Nikkaji
    50446047 BindingDB
    3388 ChEBI
    The data in this table is sourced from UniChem at EBI.