Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H8BrF3O/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19)14(16,17)18/h1-8H
SMILES O=C(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)Br
InChI Key JEYJVNRENCIQJH-UHFFFAOYSA-N
Molecular Formula C14H8BrF3O
Exact Mass 329.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JEYJVNRENCIQJH-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/JEYJVNRENCIQJH-UHFFFAOYSA-N/Mass/EI
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:27:40.362751
MetadataModified 2024-09-07T12:37:51.923383
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16147533 PubChem: Thomson Pharma
J983.016B Nikkaji
11077990 PubChem
The data in this table is sourced from UniChem at EBI.