Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key RJOYWTPJYZNRJD-UHFFFAOYSA-N
Molecular Formula C16H15Br
Exact Mass 287.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:56:52.043347
MetadataModified 2024-09-07T16:20:24.025726
MetadataPublished 2020-01-07
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11044379 PubChem
ZINC000003123046 ZINC
J638.003D Nikkaji
DTXSID20453170 EPA CompTox Dashboard
SCHEMBL2262585 SureChEMBL
CB9463013 ChemicalBook
1105307 eMolecules
16109816 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.