Dataset

Carbamazepine; LC-ESI-QTOF; MS2; 30 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107617 contains the MS2 mass spectrum of Carbamazepine with the InChIkey FFGPTBGBLSHEPO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
SMILES NC(=O)N1c2ccccc2C=Cc3ccccc13
InChI Key FFGPTBGBLSHEPO-UHFFFAOYSA-N
Molecular Formula C15H12N2O
Exact Mass 236.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107617
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00564 drugbank
    CHEBI:3387 chebi
    N6W rcsb_pdb
    CHEMBL108 chembl
    21639 surechembl
    29360181 surechembl
    29433237 surechembl
    2554 pubchem
    33CM23913M fdasrs
    N6W pdbe
    5339 gtopdb
    PD002445 probes_and_drugs
    CBMZPN CCDC
    151031 brenda
    7452 brenda
    75637 brenda
    HMDB0014704 hmdb
    DTXSID4022731 comptox
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    489 drugcentral
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    The data in this table is sourced from UniChem at EBI.