Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N
InChI Key XLOVNJUCAFIANM-UHFFFAOYSA-N
Molecular Formula C8H9NO4S
Exact Mass 215.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XLOVNJUCAFIANM-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/XLOVNJUCAFIANM-UHFFFAOYSA-N/Mass/EI.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:19:18.409809
MetadataModified 2024-09-07T13:44:43.130389
MetadataPublished 2014-08-14
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL148763 ChEMBL
2320257 eMolecules
22808-73-7 ACToR
CB7893892 ChemicalBook
89847 PubChem
MCULE-3447646038 Mcule
J286.315D Nikkaji
SCHEMBL1178941 SureChEMBL
ZINC000000106888 ZINC
0OTO8N4C4K FDA SRS
RZG PDBe
DTXSID10177358 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.