Dataset

Bromacil

This MassBank record with Accession MSBNK-LCSB-LU126555 contains the MS2 mass spectrum of Bromacil with the InChIkey CTSLUCNDVMMDHG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
SMILES CCC(C)N1C(=O)NC(C)=C(Br)C1=O
InChI Key CTSLUCNDVMMDHG-UHFFFAOYSA-N
Molecular Formula C9H13BrN2O2
Exact Mass 260.016 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU126555
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:27:58.262655
MetadataModified 2025-02-09T14:46:41.550442
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1877125 ChEMBL
C10911 KEGG Ligand
83658 ChEBI
J8.594D Nikkaji
I048FFR2J0 FDA SRS
DTXSID4022020 EPA CompTox Dashboard
14798971 PubChem: Thomson Pharma
CB7381577 ChemicalBook
9411 PubChem
8027-85-8 ACToR
314-40-9 ACToR
PD078889 ProbesDrugs
SCHEMBL53954 SureChEMBL
508481 eMolecules
The data in this table is sourced from UniChem at EBI.