Dataset

Modafinil sulfone

This MassBank record with Accession MSBNK-Waters-WA002964 contains the MS mass spectrum of Modafinil sulfone with the InChIkey ZESNOWZYHYRSRY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
SMILES NC(=O)CS(=O)(=O)C(c(c2)cccc2)c(c1)cccc1
InChI Key ZESNOWZYHYRSRY-UHFFFAOYSA-N
Molecular Formula C15H15NO3S
Exact Mass 289.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002964
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:22.526368
MetadataModified 2024-01-11T22:47:22.668551
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6460146 PubChem
946LME1J4S FDA SRS
HMDB0254821 Human Metabolome Database
J450.827K Nikkaji
MCULE-1674282340 Mcule
DTXSID10424213 EPA CompTox Dashboard
ZINC000000024705 ZINC
CHEMBL3559661 ChEMBL
14922450 PubChem: Thomson Pharma
SCHEMBL1537325 SureChEMBL
2323306 eMolecules
The data in this table is sourced from UniChem at EBI.