Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H9NO2S/c14-11-9-3-1-2-4-10(9)12(15,13-11)8-5-6-16-7-8/h1-7,15H,(H,13,14)
SMILES O=C1NC(c2c1cccc2)(O)c1ccsc1
InChI Key YZXLCIJEPZLUJU-UHFFFAOYSA-N
Molecular Formula C12H9NO2S
Exact Mass 231.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YZXLCIJEPZLUJU-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/YZXLCIJEPZLUJU-UHFFFAOYSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:08:54.373848
MetadataModified 2024-09-08T02:08:54.373853
MetadataPublished 2023-12-15
Field Value
Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452721 PubChem
The data in this table is sourced from UniChem at EBI.