Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
SMILES BrCc1ccc(cc1)C#N
InChI Key UMLFTCYAQPPZER-UHFFFAOYSA-N
Molecular Formula C8H6BrN
Exact Mass 196.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMLFTCYAQPPZER-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/UMLFTCYAQPPZER-UHFFFAOYSA-N/Mass
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:51:44.727242
MetadataModified 2024-09-07T14:45:53.175427
MetadataPublished 2019-02-12
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
481826 eMolecules
17201-43-3 ACToR
14773011 PubChem: Thomson Pharma
86996 PubChem
SCHEMBL531 SureChEMBL
CB7279647 ChemicalBook
DTXSID40864744 EPA CompTox Dashboard
MCULE-9419142227 Mcule
MolPort-000-871-738 MolPort
74916 NMRShiftDB
J266.795I Nikkaji
RV332B84ZG FDA SRS
ZINC000001621442 ZINC
The data in this table is sourced from UniChem at EBI.