Dataset

Diazepam

This MassBank record with Accession MSBNK-Waters-WA001001 contains the MS mass spectrum of Diazepam with the InChIkey AAOVKJBEBIDNHE-UHFFFAOYSA-N.

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	Clc(c2)cc(C=1c(c3)cccc3)c(c2)N(C)C(=O)CN1
InChI Key	AAOVKJBEBIDNHE-UHFFFAOYSA-N
Molecular Formula	C16H13ClN2O
Exact Mass	284.072 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001001
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:47:40.243887
MetadataModified	2024-01-11T22:47:40.401868
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL12	ChEMBL
DB00829	DrugBank
DZP	PDBe
SAM001246536	NIH Clinical Collection
536763	eMolecules
DIAZEPAM	clinicaltrials
NRL-1	clinicaltrials
VALIUM	clinicaltrials
VALRELEASE	clinicaltrials
VALTOCO	clinicaltrials
DIZAC	clinicaltrials
DTXSID4020406	EPA CompTox Dashboard
852	DrugCentral
ZINC000000006427	ZINC
50000766	BindingDB
DIAZEPAM	DailyMed
VALTOCO	rxnorm
DIAZEPAM	rxnorm
VALIUM	rxnorm
DIASTAT	rxnorm
CB02497547	ChemicalBook
DIASTAT	clinicaltrials
diazepam	DailyMed
HMDB0014967	Human Metabolome Database
145051	Brenda
2437	Brenda
145966	Brenda
C06948	KEGG Ligand
SCHEMBL21442	SureChEMBL
MCULE-8990989144	Mcule
J2.044C	Nikkaji
DIZPAM	CCDC
10016206	NMRShiftDB
3364	Guide to Pharmacology
49575	ChEBI
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
The data in this table is sourced from UniChem at EBI.