Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)cc3Br
InChI Key QDMAXRJHDMKTQH-UHFFFAOYSA-N
Molecular Formula C16H14Br2
Exact Mass 366.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QDMAXRJHDMKTQH-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/QDMAXRJHDMKTQH-UHFFFAOYSA-N/CHMO0000480
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:53:39.717211
MetadataModified 2024-09-07T16:15:50.902622
MetadataPublished 2019-12-20
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12947910 eMolecules
16185116 PubChem: Thomson Pharma
6662-18-6 ACToR
SCHEMBL4612611 SureChEMBL
CB41476860 ChemicalBook
BRPCYP CCDC
J902.935D Nikkaji
J2.602.233I Nikkaji
J2.602.234G Nikkaji
5200652 PubChem
MCULE-2334410964 Mcule
CB9336096 ChemicalBook
ZINC000003122312 ZINC
The data in this table is sourced from UniChem at EBI.