Dataset

N-1-(Hydroxyethyl)flurazepam; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002887 contains the MS mass spectrum of N-1-(Hydroxyethyl)flurazepam with the InChIkey FOCBRQQHNOKOJQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14ClFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)20-10-16(23)21(15)7-8-22/h1-6,9,22H,7-8,10H2
SMILES OCCN(C(=O)2)c(c3)c(cc(Cl)c3)C(=NC2)c(c1)c(F)ccc1
InChI Key FOCBRQQHNOKOJQ-UHFFFAOYSA-N
Molecular Formula C17H14ClFN2O2
Exact Mass 332.073 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-WA002887
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50408009 BindingDB
    2Z6WHH283E FDA SRS
    HMDB0245160 Human Metabolome Database
    ZINC000002016364 ZINC
    J41.259G Nikkaji
    DTXSID10175152 EPA CompTox Dashboard
    CHEMBL435684 ChEMBL
    20971-53-3 ACToR
    14951664 PubChem: Thomson Pharma
    SCHEMBL11679711 SureChEMBL
    36758420 eMolecules
    30401 PubChem
    The data in this table is sourced from UniChem at EBI.