Dataset

Carbamazepine-10,11-epoxide

This MassBank record with Accession MSBNK-Athens_Univ-AU203801 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-AU203801
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:49:59.899477
MetadataModified 2025-02-08T19:08:53.682812
MetadataPublished 2015-12-05
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.