Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

dataset for electrospray ionisation quadrupole detection (ESI Q Trap)

Chemical Information

molecular Image
InChI InChI=1S/C21H16O2S/c1-15-10-12-17(13-11-15)24(22,23)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)c1cc2ccccc2c2c1cccc2
InChI Key MIJBJLNGPGSHDY-UHFFFAOYSA-N
Exact Mass 332.416 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIJBJLNGPGSHDY-UHFFFAOYSA-N/CHMO0002337
License URL
Source https://www.chemotion-repository.net/inchikey/MIJBJLNGPGSHDY-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
4695577 PubChem
13167626 eMolecules
ZINC000000393006 ZINC
MCULE-2035042508 Mcule
DTXSID00405652 EPA CompTox Dashboard
LODGOC CCDC
The data in this table is sourced from UniChem at EBI.