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
Language
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
    29975-16-4 ACToR
    36S3EQV54C FDA SRS
    PD009958 ProbesDrugs
    SCHEMBL28766 SureChEMBL
    PA449502 PharmGKB
    15419098 PubChem: Thomson Pharma
    538014 eMolecules
    estazolam DailyMed
    34567 Brenda
    20180178 NMRShiftDB
    HMDB0015346 Human Metabolome Database
    3261 PubChem
    7550 Guide to Pharmacology
    ZINC000000001370 ZINC
    1056 DrugCentral
    DTXSID5020572 EPA CompTox Dashboard
    ESTAZOLAM clinicaltrials
    PROSOM clinicaltrials
    ESTAZOLAM rxnorm
    ESTAZOLAM DailyMed
    CPTZAP CCDC
    J9.280K Nikkaji
    CHEMBL285674 ChEMBL
    4858 ChEBI
    C06981 KEGG Ligand
    DB01215 DrugBank
    The data in this table is sourced from UniChem at EBI.