Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

dataset for electrospray ionisation quadrupole detection (ESI Q Trap)

Chemical Information

molecular Image
InChI InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)c1ccccc1
InChI Key YBRXHRWLEFCFEG-UHFFFAOYSA-N
Exact Mass 232.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBRXHRWLEFCFEG-UHFFFAOYSA-N/CHMO0002337
License URL
Source https://www.chemotion-repository.net/inchikey/YBRXHRWLEFCFEG-UHFFFAOYSA-N/CHMO0002337
Version
Author José Carlos Ferreira da Cunha
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
Field Value
Measurement Technique electrospray ionisation quadrupole detection
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL453261 ChEMBL
DTXSID0060937 EPA CompTox Dashboard
J124.126E Nikkaji
HEMRAW CCDC
CB1265240 ChemicalBook
ZINC000000394735 ZINC
76340 Brenda
MCULE-6045619082 Mcule
SCHEMBL891138 SureChEMBL
69497 PubChem
15997527 PubChem: Thomson Pharma
640-57-3 ACToR
758479 eMolecules
The data in this table is sourced from UniChem at EBI.