Dataset

7-Aminoclonazepam; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002849 contains the MS mass spectrum of 7-Aminoclonazepam with the InChIkey HEFRPWRJTGLSSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
SMILES O=C(C2)Nc(c3)c(cc(N)c3)C(=N2)c(c1)c(Cl)ccc1
InChI Key HEFRPWRJTGLSSV-UHFFFAOYSA-N
Molecular Formula C15H12ClN3O
Exact Mass 285.067 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-WA002849
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 7-amino-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    188298 PubChem
    ZINC000002569743 ZINC
    HMDB0041817 Human Metabolome Database
    15071951 PubChem: Thomson Pharma
    4959-17-5 ACToR
    SCHEMBL11453747 SureChEMBL
    17D6640Q7Y FDA SRS
    PD076258 ProbesDrugs
    6227616 eMolecules
    143344 ChEBI
    J2.225J Nikkaji
    DTXSID90197913 EPA CompTox Dashboard
    50408036 BindingDB
    CHEMBL1273 ChEMBL
    The data in this table is sourced from UniChem at EBI.