Dataset

10,11-Dihydro-10,11-dihydroxycarbamazepine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM858102 contains the MS2 mass spectrum of 10,11-Dihydro-10,11-dihydroxycarbamazepine with the InChIkey PRGQOPPDPVELEG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)
SMILES NC(=O)N1c2ccccc2C(O)C(O)c2ccccc12
InChI Key PRGQOPPDPVELEG-UHFFFAOYSA-N
Molecular Formula C15H14N2O3
Exact Mass 270.100 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-CASMI_2016-SM858102
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MetadataPublished 2016-12-12
Related Molecule
  • 5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID30891504 EPA CompTox Dashboard
    SCHEMBL14317737 SureChEMBL
    83852 PubChem
    35079-97-1 ACToR
    PD165959 ProbesDrugs
    J372.992C Nikkaji
    4592 ChEBI
    C07495 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.