Dataset

Carbamazepine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001148 contains the MS 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)N(c21)c(c3)c(ccc3)C=Cc(cccc2)1
InChI Key FFGPTBGBLSHEPO-UHFFFAOYSA-N
Molecular Formula C15H12N2O
Exact Mass 236.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001148
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • benzo[b][1]benzazepine-11-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB1143564 ChemicalBook
    151031 Brenda
    7452 Brenda
    HMDB0014704 Human Metabolome Database
    SCHEMBL19838283 SureChEMBL
    carbamazepine DailyMed
    2554 PubChem
    3387 ChEBI
    MCULE-9121567287 Mcule
    PD002445 ProbesDrugs
    carbamazepine Atlas
    33CM23913M FDA SRS
    LSM-3610 LINCS
    14847331 PubChem: Thomson Pharma
    SCHEMBL21639 SureChEMBL
    PA448785 PharmGKB
    Carbamazepine(Carbatrol) Selleck
    298-46-4 ACToR
    27677745 eMolecules
    535714 eMolecules
    75637 Brenda
    CARBAMAZEPINE DailyMed
    50003659 BindingDB
    CARBAMAZEPINE rxnorm
    CARNEXIV rxnorm
    EPITOL rxnorm
    EQUETRO rxnorm
    TEGRETOL rxnorm
    TERIL clinicaltrials
    N6W PDBe
    CARNEXIV clinicaltrials
    CARBAMAZEPINE clinicaltrials
    CARBATROL clinicaltrials
    TEGRETOL clinicaltrials
    EPITOL clinicaltrials
    HY-B0246 MedChemExpress
    FINLEPSIN clinicaltrials
    EQUETRO clinicaltrials
    DTXSID4022731 EPA CompTox Dashboard
    489 DrugCentral
    ZINC000000004785 ZINC
    5339 Guide to Pharmacology
    J8.590A Nikkaji
    CBMZPN CCDC
    CARBATROL rxnorm
    DB00564 DrugBank
    C06868 KEGG Ligand
    CHEMBL108 ChEMBL
    SAM002264603 NIH Clinical Collection
    57304372 PubChem: Drugs of the Future
    The data in this table is sourced from UniChem at EBI.