Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H4BrNO/c6-5-1-3-7(8)4-2-5/h1-4H
SMILES [O-][n+]1ccc(cc1)Br
InChI Key ZRXLKDCFWJECNO-UHFFFAOYSA-N
Molecular Formula C5H4BrNO
Exact Mass 173.995 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZRXLKDCFWJECNO-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/ZRXLKDCFWJECNO-UHFFFAOYSA-N/Mass
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:51:59.773516
MetadataModified 2024-09-07T14:46:13.962396
MetadataPublished 2019-02-13
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL307778 SureChEMBL
MolPort-000-875-539 MolPort
J702.063E Nikkaji
CB21175837 ChemicalBook
DTXSID60162057 EPA CompTox Dashboard
ZINC000000051190 ZINC
16496151 PubChem: Thomson Pharma
14248-50-1 ACToR
139708 PubChem
31485719 eMolecules
The data in this table is sourced from UniChem at EBI.