Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H8Br2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+
SMILES Brc1ccc(cc1)/N=N/c1ccc(cc1)Br
InChI Key LTPLLZWVPBTAMH-FOCLMDBBSA-N
Molecular Formula C12H8Br2N2
Exact Mass 340.013 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTPLLZWVPBTAMH-FOCLMDBBSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/LTPLLZWVPBTAMH-FOCLMDBBSA-N/Mass/EI
Version
Author Katharina Peschko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:57:04.789796
MetadataModified 2024-09-07T13:21:45.104884
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000018100532 ZINC
CB62136123 ChemicalBook
1601-98-5 ACToR
16184315 PubChem: Thomson Pharma
AZBNBT CCDC
SCHEMBL11691771 SureChEMBL
J80.255G Nikkaji
6194720 eMolecules
The data in this table is sourced from UniChem at EBI.