Dataset

Methylphenidate; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001251 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-WA001251
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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
    1767 drugcentral
    50062912 bindingdb
    The data in this table is sourced from UniChem at EBI.