Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H16O3S/c1-11(2)10-15-16(13,14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
SMILES CC(COS(=O)(=O)/C=C/c1ccccc1)C
InChI Key KIKXBEOFOKXQCA-CMDGGOBGSA-N
Molecular Formula C12H16O3S
Exact Mass 240.319 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KIKXBEOFOKXQCA-CMDGGOBGSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/KIKXBEOFOKXQCA-CMDGGOBGSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:12:26.034788
MetadataModified 2025-01-29T16:05:41.037189
MetadataPublished 2024-10-15
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