Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H6ClN3/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H
SMILES Clc1ccc(cc1)n1ccnn1
InChI Key XFKWCLGRWPWSMD-UHFFFAOYSA-N
Molecular Formula C8H6ClN3
Exact Mass 179.606 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/XFKWCLGRWPWSMD-UHFFFAOYSA-N/Mass/EI
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:26:50.216115
MetadataModified 2024-09-07T12:36:34.636036
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13106105 PubChem
SCHEMBL11102521 SureChEMBL
CHEMBL4764760 ChEMBL
DTXSID40518290 EPA CompTox Dashboard
J469.556I Nikkaji
The data in this table is sourced from UniChem at EBI.