Dataset

2-Hydroxycarbamazepine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF411103 contains the MS2 mass spectrum of 2-Hydroxycarbamazepine with the InChIkey VPZIYMMSJFWLSP-UHFFFAOYSA-N.

Chemical Information

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-UFZ-UF411103
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MetadataPublished 2017-01-05
Related Molecule
  • 3-hydroxybenzo[b][1]benzazepine-11-carboxamide
    • 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.