Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002956 contains the MS mass spectrum of Modafinil acid with the InChIkey QARQPIWTMBRJFX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O3S/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,(H,16,17)
SMILES OC(=O)CS(=O)C(c(c2)cccc2)c(c1)cccc1
InChI Key QARQPIWTMBRJFX-UHFFFAOYSA-N
Molecular Formula C15H14O3S
Exact Mass 274.066 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-WA002956
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MetadataPublished 2016-01-19
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD052385 ProbesDrugs
    3085267 PubChem
    63547-24-0 ACToR
    15491563 PubChem: Thomson Pharma
    SCHEMBL900143 SureChEMBL
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    MCULE-7234750133 Mcule
    CHEMBL3544654 ChEMBL
    54N37HN7N4 FDA SRS
    J450.828I Nikkaji
    HMDB0061039 Human Metabolome Database
    CB1947221 ChemicalBook
    10785390 eMolecules
    The data in this table is sourced from UniChem at EBI.