Dataset

Adrafinil

This MassBank record with Accession MSBNK-Waters-WA001986 contains the MS mass spectrum of Adrafinil with the InChIkey CGNMLOKEMNBUAI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)
SMILES ONC(=O)CS(=O)C(c(c2)cccc2)c(c1)cccc1
InChI Key CGNMLOKEMNBUAI-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-WA001986
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:45.857096
MetadataModified 2025-02-09T20:23:49.356409
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12013932 PubChem: Drugs of the Future
CHEMBL93077 ChEMBL
135200 ChEBI
ADRAFINIL rxnorm
BI81Z4542G FDA SRS
HMDB0248029 Human Metabolome Database
DTXSID4046498 EPA CompTox Dashboard
J33.368I Nikkaji
95 DrugCentral
PD012341 ProbesDrugs
DB08925 DrugBank
3033226 PubChem
15394225 PubChem: Thomson Pharma
63547-13-7 ACToR
10202187 eMolecules
CB7245226 ChemicalBook
SCHEMBL49334 SureChEMBL
The data in this table is sourced from UniChem at EBI.