Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
SMILES BrCc1ccc(c(c1)Br)CBr
InChI Key QOTLBTLQTHPRIW-UHFFFAOYSA-N
Molecular Formula C8H7Br3
Exact Mass 342.853 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:28:26.279208
MetadataModified 2024-09-08T03:28:26.279213
MetadataPublished 2024-05-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
19900-52-8 ACToR
262239 PubChem
7415970 eMolecules
ZINC000001621359 ZINC
DTXSID70294272 EPA CompTox Dashboard
CB93204327 ChemicalBook
VEJRAF CCDC
J3.165.921C Nikkaji
SCHEMBL3373171 SureChEMBL
The data in this table is sourced from UniChem at EBI.