Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C22H17BrN2O4/c1-28-21(26)15-8-6-14(7-9-15)19-11-10-16(22(27)29-2)12-20(19)25-24-18-5-3-4-17(23)13-18/h3-13H,1-2H3
SMILES COC(=O)c1ccc(c(c1)/N=N/c1cccc(c1)Br)c1ccc(cc1)C(=O)OC
InChI Key WYSBGBKANOAHFR-UHFFFAOYSA-N
Molecular Formula C22H17BrN2O4
Exact Mass 453.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WYSBGBKANOAHFR-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/WYSBGBKANOAHFR-UHFFFAOYSA-N/Mass/EI.1
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:32:12.506623
MetadataModified 2024-09-07T14:04:32.571899
MetadataPublished 2015-05-15
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91757971 PubChem
The data in this table is sourced from UniChem at EBI.