Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
SMILES O=C1C(=C(Br)C(=O)c2c1cccc2)Br
InChI Key PSMABVOYZJWFBV-UHFFFAOYSA-N
Molecular Formula C10H4Br2O2
Exact Mass 315.946 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/PSMABVOYZJWFBV-UHFFFAOYSA-N/Mass/EI.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:25:58.474276
MetadataModified 2024-09-07T13:54:28.647728
MetadataPublished 2014-09-26
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16512191 PubChem: Thomson Pharma
13243-65-7 ACToR
CHEMBL1989145 ChEMBL
PD011877 ProbesDrugs
517037 eMolecules
DTXSID20157580 EPA CompTox Dashboard
ZINC000000265648 ZINC
142631 Brenda
DBRNPQ CCDC
J81.580B Nikkaji
20026538 NMRShiftDB
SCHEMBL1240837 SureChEMBL
MCULE-2029335013 Mcule
254941 Brenda
83259 PubChem
The data in this table is sourced from UniChem at EBI.