Dataset

Clonazepam; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA002950 contains the MS mass spectrum of Clonazepam with the InChIkey DGBIGWXXNGSACT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
SMILES [O-1][N+1](=O)c(c3)cc(c(c3)2)C(=NCC(=O)N2)c(c1)c(Cl)ccc1
InChI Key DGBIGWXXNGSACT-UHFFFAOYSA-N
Molecular Formula C15H10ClN3O3
Exact Mass 315.041 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-WA002950
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2802 PubChem
    PD009568 ProbesDrugs
    260007 Brenda
    5PE9FDE8GB FDA SRS
    14874486 PubChem: Thomson Pharma
    1622-61-3 ACToR
    SCHEMBL38899 SureChEMBL
    PA449050 PharmGKB
    106955-87-7 ACToR
    535779 eMolecules
    clonazepam DailyMed
    ZINC000003813003 ZINC
    HMDB0015201 Human Metabolome Database
    LSM-45776 LINCS
    CHEMBL452 ChEMBL
    DB01068 DrugBank
    3756 ChEBI
    DTXSID1022845 EPA CompTox Dashboard
    703 DrugCentral
    6963 Guide to Pharmacology
    20237370 NMRShiftDB
    RO-54023 clinicaltrials
    CLONAZEPAM clinicaltrials
    RO 5-4023 clinicaltrials
    RIVOTRIL clinicaltrials
    RO-5-4023 clinicaltrials
    KLONOPIN clinicaltrials
    CLONAZEPAM rxnorm
    KLONOPIN rxnorm
    CLONAZEPAM DailyMed
    50019213 BindingDB
    CPHNZP CCDC
    The data in this table is sourced from UniChem at EBI.