Dataset

Modafinil

This MassBank record with Accession MSBNK-Waters-WA002960 contains the MS mass spectrum of Modafinil with the InChIkey YFGHCGITMMYXAQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)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)C(c(c2)cccc2)c(c1)cccc1
InChI Key YFGHCGITMMYXAQ-UHFFFAOYSA-N
Molecular Formula C15H15NO2S
Exact Mass 273.082 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-WA002960
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:42.610712
MetadataModified 2024-01-11T22:50:42.760203
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
R3UK8X3U3D FDA SRS
DTXSID0023329 EPA CompTox Dashboard
1826 DrugCentral
50156055 BindingDB
MODAFINIL DailyMed
MODIODAL clinicaltrials
PROVIGIL rxnorm
MODAFINIL clinicaltrials
CRL-40476 clinicaltrials
CRL 40476 clinicaltrials
PROVIGIL clinicaltrials
MODAFINIL rxnorm
HMDB0014883 Human Metabolome Database
PA450530 PharmGKB
modafinil DailyMed
SAM001246587 NIH Clinical Collection
CHEMBL1373 ChEMBL
J33.118J Nikkaji
77585 ChEBI
7555 Guide to Pharmacology
ETEXIK CCDC
MCULE-6678415272 Mcule
14897309 PubChem: Thomson Pharma
LSM-1343 LINCS
4236 PubChem
68693-11-8 ACToR
SCHEMBL34488 SureChEMBL
PD000912 ProbesDrugs
112111-49-6 ACToR
DB00745 DrugBank
12014011 PubChem: Drugs of the Future
592158 eMolecules
The data in this table is sourced from UniChem at EBI.