Dataset

Clonazepam; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002951 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-WA002951
Version
Author
Maintainer
Language
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
    DB01068 drugbank
    CHEBI:3756 chebi
    CHEMBL452 chembl
    29361251 surechembl
    29369721 surechembl
    29743048 surechembl
    38899 surechembl
    2802 pubchem
    5PE9FDE8GB fdasrs
    6963 gtopdb
    PD009568 probes_and_drugs
    CPHNZP CCDC
    260007 brenda
    HMDB0015201 hmdb
    DTXSID1022845 comptox
    NCT00025740 clinicaltrials
    NCT00118417 clinicaltrials
    NCT00282828 clinicaltrials
    NCT00552526 clinicaltrials
    NCT00594945 clinicaltrials
    NCT00652639 clinicaltrials
    NCT00652912 clinicaltrials
    NCT00810316 clinicaltrials
    NCT01011036 clinicaltrials
    NCT01083784 clinicaltrials
    NCT01150331 clinicaltrials
    NCT01150331 clinicaltrials
    NCT01291316 clinicaltrials
    NCT01870024 clinicaltrials
    NCT02134366 clinicaltrials
    NCT02205931 clinicaltrials
    NCT02312908 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02382029 clinicaltrials
    NCT02690844 clinicaltrials
    NCT02789592 clinicaltrials
    NCT02852577 clinicaltrials
    NCT02913924 clinicaltrials
    NCT03061136 clinicaltrials
    NCT03375034 clinicaltrials
    NCT04313907 clinicaltrials
    NCT04523935 clinicaltrials
    NCT04884503 clinicaltrials
    NCT06133114 clinicaltrials
    NCT06357104 clinicaltrials
    703 drugcentral
    50019213 bindingdb
    The data in this table is sourced from UniChem at EBI.