Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H7Br2N/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3-4H2
SMILES BrCc1ccc(cn1)CBr
InChI Key MGVHOGFNAQGWFN-UHFFFAOYSA-N
Molecular Formula C7H7Br2N
Exact Mass 264.945 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MGVHOGFNAQGWFN-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/MGVHOGFNAQGWFN-UHFFFAOYSA-N/Mass/EI
Version
Author Joshua Kramer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:44:58.220503
MetadataModified 2024-09-07T13:03:42.888269
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000100289243 ZINC
J1.139.415I Nikkaji
15516489 PubChem: Thomson Pharma
10491903 PubChem
SCHEMBL15410395 SureChEMBL
The data in this table is sourced from UniChem at EBI.