Dataset

Carbamazepine

This MassBank record with Accession MSBNK-LCSB-LU126605 contains the MS2 mass spectrum of Carbamazepine with the InChIkey FFGPTBGBLSHEPO-UHFFFAOYSA-N.

Chemical Info

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)N1C2=CC=CC=C2C=CC2=C1C=CC=C2
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU126605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:04.620280
MetadataModified 2025-02-09T14:37:24.163458
MetadataPublished 2020-08-19
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.