Dataset

Methylphenidate; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA001252 contains the MS mass spectrum of Methylphenidate with the InChIkey DUGOZIWVEXMGBE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
SMILES COC(=O)C(C(C2)NCCC2)c(c1)cccc1
InChI Key DUGOZIWVEXMGBE-UHFFFAOYSA-N
Molecular Formula C14H19NO2
Exact Mass 233.142 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-WA001252
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 2-phenyl-2-piperidin-2-ylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00422 drugbank
    CHEBI:84276 chebi
    CHEMBL796 chembl
    37178 surechembl
    4158 pubchem
    7236 gtopdb
    7554 gtopdb
    PD010035 probes_and_drugs
    148403 brenda
    161165 brenda
    75630 brenda
    HMDB0014566 hmdb
    188945 bindingdb
    188946 bindingdb
    50230344 bindingdb
    50230345 bindingdb
    50284106 bindingdb
    50284107 bindingdb
    50284109 bindingdb
    50841958 bindingdb
    50841996 bindingdb
    50842089 bindingdb
    50842106 bindingdb
    50842155 bindingdb
    50842161 bindingdb
    1767 drugcentral
    The data in this table is sourced from UniChem at EBI.