Dataset

Nordiazepam

This MassBank record with Accession MSBNK-Athens_Univ-AU161105 contains the MS2 mass spectrum of Nordiazepam with the InChIkey AKPLHCDWDRPJGD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
SMILES ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1
InChI Key AKPLHCDWDRPJGD-UHFFFAOYSA-N
Molecular Formula C15H11ClN2O
Exact Mass 270.056 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU161105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:06:47.877979
MetadataModified 2025-02-08T19:02:53.318263
MetadataPublished 2015-12-07
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DOZKEI CCDC
J7.250H Nikkaji
816 DrugCentral
NORDAZEPAM rxnorm
50027835 BindingDB
DTXSID2049000 EPA CompTox Dashboard
CB2292432 ChemicalBook
ZINC000001249069 ZINC
C07486 KEGG Ligand
111762 ChEBI
CHEMBL523 ChEMBL
2997 PubChem
60021023 NMRShiftDB
PD014374 ProbesDrugs
14819793 PubChem: Thomson Pharma
C07486 Recon
1088-11-5 ACToR
67220MCM01 FDA SRS
524668 eMolecules
30326489 eMolecules
DB14028 DrugBank
MTBLC111762 Metabolights
HMDB0060538 Human Metabolome Database
MCULE-2705262252 Mcule
SCHEMBL78453 SureChEMBL
The data in this table is sourced from UniChem at EBI.