mass spectrometry (MS)

Repository

Chemotion - Repository

The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(xml) DCAT-AP(ttl) DCAT-AP(jsonld)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image

InChI	InChI=1S/C10H12O3S/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
SMILES	CCOS(=O)(=O)/C=C/c1ccccc1
InChI Key	LEDCJBCTEYLBJO-CMDGGOBGSA-N
Molecular Formula	C10H12O3S
Exact Mass	212.265 g/mol

Data and Resources

mass spectrometry (MS)HTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.14272/LEDCJBCTEYLBJO-CMDGGOBGSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LEDCJBCTEYLBJO-CMDGGOBGSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:08:37.859654
MetadataModified	2025-01-29T16:02:15.559299
MetadataPublished	2024-10-15
Related Molecule