Dataset

10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA270112 contains the MS2 mass spectrum of 10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine with the InChIkey PRGQOPPDPVELEG-KBPBESRZSA-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)/t13-,14-/m0/s1
SMILES c12[C@@H]([C@@H](O)c3c(N(C(N)=O)c2cccc1)cccc3)O
InChI Key PRGQOPPDPVELEG-KBPBESRZSA-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-Eawag-EA270112
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • (5S,6S)-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
    CHEBI:83815 chebi
    114725 pubchem
    9WR2Y6JJ6A fdasrs
    HMDB0060568 hmdb
    Molport-046-689-518 molport
    The data in this table is sourced from UniChem at EBI.