Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H6N2/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h1,3-7H
SMILES C#Cc1cnc2c(n1)cccc2
InChI Key DSBXCMSDHQSXAW-UHFFFAOYSA-N
Molecular Formula C10H6N2
Exact Mass 154.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DSBXCMSDHQSXAW-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/DSBXCMSDHQSXAW-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-22
Related Molecule
Field Value
Measurement Technique CHMO:0000470
Measurement Variables
Data-Source Molecule ID Data-Source
15536211 PubChem: Thomson Pharma
J823.706I Nikkaji
DTXSID00440967 EPA CompTox Dashboard
ZINC000038973006 ZINC
10511060 PubChem
SCHEMBL6352308 SureChEMBL
MCULE-4872929333 Mcule
The data in this table is sourced from UniChem at EBI.