Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
SMILES Clc1nc2ccccc2nc1Cl
InChI Key SPSSDDOTEZKOOV-UHFFFAOYSA-N
Molecular Formula C8H4Cl2N2
Exact Mass 199.037 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000470.2
License URL
Source https://www.chemotion-repository.net/inchikey/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000470.2
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:56:25.224006
MetadataModified 2024-09-07T17:39:18.961322
MetadataPublished 2020-04-12
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2213-63-0 ACToR
16143407 PubChem: Thomson Pharma
16659 PubChem
481909 eMolecules
CB5414800 ChemicalBook
MCULE-8035003090 Mcule
SCHEMBL116696 SureChEMBL
20208578 NMRShiftDB
CHEMBL445957 ChEMBL
J48.372I Nikkaji
EGOSOK CCDC
DTXSID1025013 EPA CompTox Dashboard
ZINC000000119521 ZINC
The data in this table is sourced from UniChem at EBI.