Dataset

Bromazepam

This MassBank record with Accession MSBNK-Waters-WA001160 contains the MS mass spectrum of Bromazepam with the InChIkey VMIYHDSEFNYJSL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
SMILES O=C(C2)Nc(c3)c(cc(Br)c3)C(=N2)c(c1)nccc1
InChI Key VMIYHDSEFNYJSL-UHFFFAOYSA-N
Molecular Formula C14H10BrN3O
Exact Mass 315.001 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-WA001160
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:38.671243
MetadataModified 2024-01-11T22:50:38.828729
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID40171081 EPA CompTox Dashboard
399 DrugCentral
31302 ChEBI
ZINC000000001051 ZINC
BROMAZEPAM rxnorm
LEXOTANIL clinicaltrials
BROMAZEPAM clinicaltrials
LEXOTAN clinicaltrials
LEXATIN clinicaltrials
RO 5-3350 clinicaltrials
RO-5-3350 clinicaltrials
55882 Brenda
HMDB0015511 Human Metabolome Database
J3.680C Nikkaji
CAGWOW CCDC
2441 PubChem
PD009477 ProbesDrugs
X015L14V0O FDA SRS
14874497 PubChem: Thomson Pharma
SCHEMBL43933 SureChEMBL
PA10035 PharmGKB
1812-30-2 ACToR
535125 eMolecules
CHEMBL277062 ChEMBL
DB01558 DrugBank
The data in this table is sourced from UniChem at EBI.