Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H8BrNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccccc1Br
InChI Key VOBKUOHHOWQHFZ-UHFFFAOYSA-N
Molecular Formula C8H8BrNO
Exact Mass 214.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VOBKUOHHOWQHFZ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/VOBKUOHHOWQHFZ-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:40:05.859293
MetadataModified 2024-09-07T14:29:19.117810
MetadataPublished 2018-06-20
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
518989 eMolecules
614-76-6 ACToR
16021607 PubChem: Thomson Pharma
SCHEMBL422636 SureChEMBL
CB8742191 ChemicalBook
MAVFAR CCDC
J29.484E Nikkaji
ZINC000000173186 ZINC
DTXSID10210330 EPA CompTox Dashboard
20122820 NMRShiftDB
MCULE-4247856705 Mcule
136416 PubChem
The data in this table is sourced from UniChem at EBI.