Dataset

Nitrazepam

This MassBank record with Accession MSBNK-Waters-WA000754 contains the MS mass spectrum of Nitrazepam with the InChIkey KJONHKAYOJNZEC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
SMILES O=N(=O)c(c3)cc(c2c3)C(=NCC(=O)N2)c(c1)cccc1
InChI Key KJONHKAYOJNZEC-UHFFFAOYSA-N
Molecular Formula C15H11N3O3
Exact Mass 281.080 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-WA000754
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:04.434345
MetadataModified 2024-01-11T22:50:04.600387
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
NITRAZEPAM clinicaltrials
DTXSID5023372 EPA CompTox Dashboard
NHPBZO CCDC
ZINC000004311748 ZINC
50020856 BindingDB
NITRAZEPAM rxnorm
DB01595 DrugBank
CHEMBL13209 ChEMBL
SAM001246711 NIH Clinical Collection
C07487 KEGG Ligand
20179957 NMRShiftDB
7581 ChEBI
4506 PubChem
MCULE-3394241963 Mcule
SCHEMBL35202 SureChEMBL
592671 eMolecules
HMDB0015534 Human Metabolome Database
1945 DrugCentral
MTBLC7581 Metabolights
34568 Brenda
14824476 PubChem: Thomson Pharma
PD003070 ProbesDrugs
9CLV70W7HS FDA SRS
PA10242 PharmGKB
146-22-5 ACToR
LSM-5681 LINCS
The data in this table is sourced from UniChem at EBI.