Dataset

Diazepam

This MassBank record with Accession MSBNK-Athens_Univ-AU160804 contains the MS2 mass spectrum of Diazepam with the InChIkey AAOVKJBEBIDNHE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
SMILES CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
InChI Key AAOVKJBEBIDNHE-UHFFFAOYSA-N
Molecular Formula C16H13ClN2O
Exact Mass 284.072 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-AU160804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:51:02.768638
MetadataModified 2025-02-08T19:11:09.368244
MetadataPublished 2015-12-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.044C Nikkaji
DIZAC clinicaltrials
DIZPAM CCDC
CB02497547 ChemicalBook
DIASTAT rxnorm
VALIUM rxnorm
VALTOCO rxnorm
DIAZEPAM rxnorm
DIAZEPAM DailyMed
50000766 BindingDB
DIASTAT clinicaltrials
DIAZEPAM clinicaltrials
3364 Guide to Pharmacology
ZINC000000006427 ZINC
852 DrugCentral
DTXSID4020406 EPA CompTox Dashboard
NRL-1 clinicaltrials
VALIUM clinicaltrials
VALTOCO clinicaltrials
VALRELEASE clinicaltrials
C06948 KEGG Ligand
CHEMBL12 ChEMBL
DB00829 DrugBank
DZP PDBe
SAM001246536 NIH Clinical Collection
49575 ChEBI
10016206 NMRShiftDB
MCULE-8990989144 Mcule
SCHEMBL21442 SureChEMBL
HMDB0014967 Human Metabolome Database
diazepam DailyMed
145051 Brenda
2437 Brenda
145966 Brenda
11100-37-1 ACToR
439-14-5 ACToR
C06948 Recon
LSM-2359 LINCS
PA449283 PharmGKB
Q3JTX2Q7TU FDA SRS
PD003026 ProbesDrugs
14799843 PubChem: Thomson Pharma
diazepam Atlas
3016 PubChem
536763 eMolecules
The data in this table is sourced from UniChem at EBI.