Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
SMILES CCNC(=O)c1ccccc1Br
InChI Key DWCBZUWYUAIEEP-UHFFFAOYSA-N
Molecular Formula C9H10BrNO
Exact Mass 228.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWCBZUWYUAIEEP-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/DWCBZUWYUAIEEP-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:28:02.028109
MetadataModified 2024-09-07T13:58:14.851497
MetadataPublished 2015-05-06
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000005456608 ZINC
DTXSID00392593 EPA CompTox Dashboard
J570.615G Nikkaji
MCULE-4535110283 Mcule
CB1837683 ChemicalBook
SCHEMBL6427422 SureChEMBL
3450992 PubChem
16301323 PubChem: Thomson Pharma
V86 PDBe
2797775 eMolecules
The data in this table is sourced from UniChem at EBI.