Dataset

Adrafinil

This MassBank record with Accession MSBNK-Waters-WA001983 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-WA001983
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:42.707136
MetadataModified 2024-01-11T22:46:42.873719
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12013932 PubChem: Drugs of the Future
CHEMBL93077 ChEMBL
HMDB0248029 Human Metabolome Database
J33.368I Nikkaji
ADRAFINIL rxnorm
BI81Z4542G FDA SRS
95 DrugCentral
DTXSID4046498 EPA CompTox Dashboard
135200 ChEBI
PD012341 ProbesDrugs
15394225 PubChem: Thomson Pharma
63547-13-7 ACToR
DB08925 DrugBank
3033226 PubChem
SCHEMBL49334 SureChEMBL
CB7245226 ChemicalBook
10202187 eMolecules
The data in this table is sourced from UniChem at EBI.