Dataset

Estazolam; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000823 contains the MS mass spectrum of Estazolam with the InChIkey CDCHDCWJMGXXRH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
SMILES Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c2)c(nn2)CN1
InChI Key CDCHDCWJMGXXRH-UHFFFAOYSA-N
Molecular Formula C16H11ClN4
Exact Mass 294.067 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-WA000823
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01215 drugbank
    CHEBI:4858 chebi
    CHEMBL285674 chembl
    28766 surechembl
    29357458 surechembl
    3261 pubchem
    36S3EQV54C fdasrs
    7550 gtopdb
    PD009958 probes_and_drugs
    CPTZAP CCDC
    34567 brenda
    HMDB0015346 hmdb
    1056 drugcentral
    The data in this table is sourced from UniChem at EBI.