Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H11BrN2O2/c15-11-5-4-10-12-8(11)2-1-3-9(12)13(18)17(7-6-16)14(10)19/h1-5H,6-7,16H2
SMILES NCCn1c(=O)c2cccc3c2c(c1=O)ccc3Br
InChI Key RXTDJXDISWDSGQ-UHFFFAOYSA-N
Molecular Formula C14H11BrN2O2
Exact Mass 319.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXTDJXDISWDSGQ-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/RXTDJXDISWDSGQ-UHFFFAOYSA-N/Mass/EI.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:29:04.264410
MetadataModified 2024-09-07T13:59:45.529845
MetadataPublished 2015-05-11
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
45921378 PubChem
ZINC000095470789 ZINC
J2.907.874B Nikkaji
MCULE-5583196536 Mcule
CHEMBL2385927 ChEMBL
The data in this table is sourced from UniChem at EBI.