Dataset

3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002898 contains the MS mass spectrum of 3-Hydroxybromazepam with the InChIkey URRUSNGCYBXNLO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H10BrN3O2/c15-8-4-5-10-9(7-8)12(11-3-1-2-6-16-11)18-14(20)13(19)17-10/h1-7,14,20H,(H,17,19)
SMILES O=C(N1)C(O)N=C(c(c3)nccc3)c(c2)c(ccc(Br)2)1
InChI Key URRUSNGCYBXNLO-UHFFFAOYSA-N
Molecular Formula C14H10BrN3O2
Exact Mass 330.996 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002898
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MetadataPublished 2016-01-19
Related Molecule
  • 7-bromo-3-hydroxy-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31230587 eMolecules
    166774 PubChem
    13132-73-5 ACToR
    SCHEMBL13585027 SureChEMBL
    J435.245I Nikkaji
    56D3142V5Y FDA SRS
    The data in this table is sourced from UniChem at EBI.