Dataset

Temazepam

This MassBank record with Accession MSBNK-Athens_Univ-AU155703 contains the MS2 mass spectrum of Temazepam with the InChIkey SEQDDYPDSLOBDC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
SMILES	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1
InChI Key	SEQDDYPDSLOBDC-UHFFFAOYSA-N
Molecular Formula	C16H13ClN2O2
Exact Mass	300.067 g/mol

Data and Resources

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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-AU155703
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:55:54.768815
MetadataModified	2025-02-08T19:06:37.165161
MetadataPublished	2015-12-07
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5391	PubChem
PD000427	ProbesDrugs
14873813	PubChem: Thomson Pharma
846-50-4	ACToR
595158	eMolecules
temazepam	DailyMed
HMDB0014376	Human Metabolome Database
LSM-45470	LINCS
SCHEMBL29463	SureChEMBL
C07125	KEGG Ligand
CHEMBL967	ChEMBL
DB00231	DrugBank
ZZZAUS	CCDC
J7.138B	Nikkaji
7300	Guide to Pharmacology
2585	DrugCentral
DTXSID8021309	EPA CompTox Dashboard
9435	ChEBI
CHB1QD2QSS	FDA SRS
WY-3917	clinicaltrials
RESTORIL	clinicaltrials
RESTORIL	rxnorm
TEMAZEPAM	clinicaltrials
TEMAZEPAM	rxnorm
TEMAZEPAM	DailyMed
50408032	BindingDB
PA451608	PharmGKB
The data in this table is sourced from UniChem at EBI.