Dataset

Carbamazepine 10,11-epoxide

This MassBank record with Accession MSBNK-Waters-WA002901 contains the MS mass spectrum of Carbamazepine 10,11-epoxide with the InChIkey ZRWWEEVEIOGMMT-UHFFFAOYSA-N.

Chemical Info

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)N(c32)c(c4)c(ccc4)C(O1)C1c(cccc3)2
InChI Key	ZRWWEEVEIOGMMT-UHFFFAOYSA-N
Molecular Formula	C15H12N2O2
Exact Mass	252.090 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002901
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:39.933743
MetadataModified	2024-01-11T22:49:40.090446
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3388	ChEBI
MolPort-003-845-583	MolPort
SCHEMBL156675	SureChEMBL
50446047	BindingDB
J9.164B	Nikkaji
MolPort-047-544-025	MolPort
CHEMBL1258	ChEMBL
C07496	KEGG Ligand
536095	eMolecules
2555	PubChem
PD150976	ProbesDrugs
15221237	PubChem: Thomson Pharma
36507-30-9	ACToR
QC9505F279	FDA SRS
CB4364889	ChemicalBook
DTXSID60891456	EPA CompTox Dashboard
HMDB0060658	Human Metabolome Database
MTBLC3388	Metabolights
152719	Brenda
The data in this table is sourced from UniChem at EBI.