Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H9BrN2/c1-7-10(6-11)13-9-5-3-2-4-8(9)12-7/h2-5H,6H2,1H3
SMILES BrCc1nc2ccccc2nc1C
InChI Key QHCWJHQEBKERCS-UHFFFAOYSA-N
Molecular Formula C10H9BrN2
Exact Mass 237.096 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QHCWJHQEBKERCS-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QHCWJHQEBKERCS-UHFFFAOYSA-N/CHMO0000470
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:42:07.568751
MetadataModified 2024-09-07T17:19:54.814172
MetadataPublished 2020-03-11
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
57554957 PubChem: Thomson Pharma
286255 PubChem
5320-95-6 ACToR
ZINC000001727740 ZINC
DTXSID30301552 EPA CompTox Dashboard
MCULE-9273494356 Mcule
J2.064.477J Nikkaji
The data in this table is sourced from UniChem at EBI.