Dataset

Modafinil; LC-ESI-Q; MS; POS; 30 V

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

Chemical Information

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
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MetadataPublished 2016-01-19
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    Data-Source Molecule ID Data-Source
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    PD000912 ProbesDrugs
    4236 PubChem
    LSM-1343 LINCS
    112111-49-6 ACToR
    68693-11-8 ACToR
    SCHEMBL34488 SureChEMBL
    592158 eMolecules
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    PA450530 PharmGKB
    HMDB0014883 Human Metabolome Database
    77585 ChEBI
    MCULE-6678415272 Mcule
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    MODAFINIL rxnorm
    PROVIGIL rxnorm
    CRL-40476 clinicaltrials
    PROVIGIL clinicaltrials
    MODIODAL clinicaltrials
    MODAFINIL clinicaltrials
    CRL 40476 clinicaltrials
    R3UK8X3U3D FDA SRS
    DTXSID0023329 EPA CompTox Dashboard
    1826 DrugCentral
    7555 Guide to Pharmacology
    J33.118J Nikkaji
    ETEXIK CCDC
    50156055 BindingDB
    SAM001246587 NIH Clinical Collection
    CHEMBL1373 ChEMBL
    12014011 PubChem: Drugs of the Future
    DB00745 DrugBank
    The data in this table is sourced from UniChem at EBI.