Dataset

Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ01519 contains the MS2 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 C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ01519
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Maintainer
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MetadataPublished 2023-03-24
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.