Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
SMILES Cc1nc2ccccc2nc1Cl
InChI Key PXDLUYLWPJMGJA-UHFFFAOYSA-N
Molecular Formula C9H7ClN2
Exact Mass 178.618 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXDLUYLWPJMGJA-UHFFFAOYSA-N/CHMO0000470.2
License URL
Source https://www.chemotion-repository.net/inchikey/PXDLUYLWPJMGJA-UHFFFAOYSA-N/CHMO0000470.2
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:04:07.350335
MetadataModified 2024-09-07T17:50:11.013270
MetadataPublished 2020-04-27
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CIPWOO CCDC
J1.430.571H Nikkaji
MCULE-5627912110 Mcule
236276 PubChem
839833 eMolecules
15536743 PubChem: Thomson Pharma
SCHEMBL1670942 SureChEMBL
32601-86-8 ACToR
DTXSID50284712 EPA CompTox Dashboard
CB8491147 ChemicalBook
ZINC000000331724 ZINC
The data in this table is sourced from UniChem at EBI.