Dataset

Adrafinil

This MassBank record with Accession MSBNK-Waters-WA001984 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-WA001984
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:56.530438
MetadataModified 2024-01-11T22:48:56.692640
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL93077 ChEMBL
12013932 PubChem: Drugs of the Future
10202187 eMolecules
DB08925 DrugBank
3033226 PubChem
15394225 PubChem: Thomson Pharma
63547-13-7 ACToR
PD012341 ProbesDrugs
SCHEMBL49334 SureChEMBL
HMDB0248029 Human Metabolome Database
J33.368I Nikkaji
CB7245226 ChemicalBook
ADRAFINIL rxnorm
BI81Z4542G FDA SRS
95 DrugCentral
135200 ChEBI
DTXSID4046498 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.