Dataset

Carbamazepine10,11-epoxide; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+

This MassBank record with Accession MSBNK-KWR-KW107301 contains the MS2 mass spectrum of Carbamazepine10,11-epoxide 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 NC(=O)N1c2ccccc2C3OC3c4ccccc14
InChI Key ZRWWEEVEIOGMMT-UHFFFAOYSA-N
Molecular Formula C15H12N2O2
Exact Mass 252.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-KWR-KW107301
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Maintainer
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MetadataPublished 2017-03-12
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.