Dataset

10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU203903 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 c1ccc2c(c1)[C@@H]([C@H](c3ccccc3N2C(=N)O)O)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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203903
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MetadataPublished 2015-12-11
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
    114725 PubChem
    83815 ChEBI
    J346.629I Nikkaji
    ZINC000000896945 ZINC
    9WR2Y6JJ6A FDA SRS
    DTXSID10891461 EPA CompTox Dashboard
    MTBLC83815 Metabolights
    HMDB0060568 Human Metabolome Database
    15417630 PubChem: Thomson Pharma
    58955-93-4 ACToR
    The data in this table is sourced from UniChem at EBI.