Dataset

Carbamazepine-10,11-epoxide

This MassBank record with Accession MSBNK-Athens_Univ-AU203805 contains the MS2 mass spectrum of Carbamazepine-10,11-epoxide with the InChIkey ZRWWEEVEIOGMMT-UHFFFAOYSA-N.

Chemical Info

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)N1C2=C(C=CC=C2)C2OC2C2=C1C=CC=C2
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:43:59.492185
MetadataModified 2024-01-11T09:43:59.653032
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J9.164B Nikkaji
3388 ChEBI
SCHEMBL156675 SureChEMBL
2555 PubChem
15221237 PubChem: Thomson Pharma
36507-30-9 ACToR
QC9505F279 FDA SRS
PD150976 ProbesDrugs
50446047 BindingDB
HMDB0060658 Human Metabolome Database
DTXSID60891456 EPA CompTox Dashboard
CB4364889 ChemicalBook
152719 Brenda
MTBLC3388 Metabolights
C07496 KEGG Ligand
CHEMBL1258 ChEMBL
536095 eMolecules
The data in this table is sourced from UniChem at EBI.