Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
SMILES CC(=O)Nc1ccc(c2c1cccc2)Br
InChI Key KAVKNHPXAMTURG-UHFFFAOYSA-N
Molecular Formula C12H10BrNO
Exact Mass 264.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KAVKNHPXAMTURG-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/KAVKNHPXAMTURG-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:43:08.543438
MetadataModified 2024-09-07T14:33:47.567927
MetadataPublished 2018-09-10
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1408731 ChEMBL
1072127 eMolecules
91394-66-0 ACToR
236431 PubChem
16425105 PubChem: Thomson Pharma
J1.649.445C Nikkaji
MCULE-1266508056 Mcule
MolPort-001-767-704 MolPort
SCHEMBL6835642 SureChEMBL
ZINC000000394193 ZINC
DTXSID50284777 EPA CompTox Dashboard
CB0457156 ChemicalBook
The data in this table is sourced from UniChem at EBI.