Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
SMILES [O-][n+]1ccc(cc1)Cl
InChI Key DPJVRASYWYOFSJ-UHFFFAOYSA-N
Molecular Formula C5H4ClNO
Exact Mass 129.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPJVRASYWYOFSJ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/DPJVRASYWYOFSJ-UHFFFAOYSA-N/Mass
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:49:48.323711
MetadataModified 2024-09-07T14:43:14.758745
MetadataPublished 2019-02-05
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL3186776 ChEMBL
ZZZRKK CCDC
J7.265F Nikkaji
DTXSID0041513 EPA CompTox Dashboard
1121-76-2 ACToR
16213985 PubChem: Thomson Pharma
F3196UEB9Q FDA SRS
SCHEMBL133666 SureChEMBL
490336 eMolecules
70724 PubChem
CB5232071 ChemicalBook
ZINC000000407058 ZINC
The data in this table is sourced from UniChem at EBI.