Dataset

2-Hydroxycarbamazepine

This MassBank record with Accession MSBNK-Athens_Univ-AU234757 contains the MS2 mass spectrum of 2-Hydroxycarbamazepine with the InChIkey VPZIYMMSJFWLSP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)
SMILES NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=CC=C12
InChI Key VPZIYMMSJFWLSP-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU234757
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:52:01.339897
MetadataModified 2025-02-08T19:09:03.116971
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
129274 PubChem
15342846 PubChem: Thomson Pharma
SCHEMBL2738798 SureChEMBL
68011-66-5 ACToR
10488684 eMolecules
CHEMBL3103396 ChEMBL
HMDB0060651 Human Metabolome Database
ZINC000006117174 ZINC
J620.201B Nikkaji
1UT0PR32AJ FDA SRS
50446048 BindingDB
80596 ChEBI
DTXSID20218201 EPA CompTox Dashboard
C16601 KEGG Ligand
The data in this table is sourced from UniChem at EBI.