Dataset

Bromazepam

This MassBank record with Accession MSBNK-Waters-WA001158 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-WA001158
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:31:22.091973
MetadataModified 2025-02-09T20:22:34.378989
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL277062 ChEMBL
DB01558 DrugBank
BROMAZEPAM rxnorm
BROMAZEPAM clinicaltrials
RO-5-3350 clinicaltrials
LEXOTAN clinicaltrials
LEXATIN clinicaltrials
RO 5-3350 clinicaltrials
CAGWOW CCDC
DTXSID40171081 EPA CompTox Dashboard
399 DrugCentral
31302 ChEBI
ZINC000000001051 ZINC
J3.680C Nikkaji
LEXOTANIL clinicaltrials
HMDB0015511 Human Metabolome Database
55882 Brenda
535125 eMolecules
2441 PubChem
PD009477 ProbesDrugs
X015L14V0O FDA SRS
14874497 PubChem: Thomson Pharma
SCHEMBL43933 SureChEMBL
PA10035 PharmGKB
1812-30-2 ACToR
The data in this table is sourced from UniChem at EBI.