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
Author
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
    QUILLIVANT clinicaltrials
    113-45-1 ACToR
    PD010035 ProbesDrugs
    SCHEMBL37178 SureChEMBL
    PA450464 PharmGKB
    14798219 PubChem: Thomson Pharma
    24848 eMolecules
    4158 PubChem
    methylphenidate DailyMed
    148403 Brenda
    75630 Brenda
    161165 Brenda
    PA10054 PharmGKB
    HMDB0014566 Human Metabolome Database
    DB00422 DrugBank
    CHEMBL796 ChEMBL
    C07196 KEGG Ligand
    METHYLIN clinicaltrials
    METADATE CD clinicaltrials
    METADATE ER clinicaltrials
    ADHANSIA XR clinicaltrials
    FOQUEST clinicaltrials
    JORNAY PM clinicaltrials
    DAYTRANA clinicaltrials
    QUILLICHEW clinicaltrials
    SPD-544 clinicaltrials
    SPD544 clinicaltrials
    APTENSIO clinicaltrials
    APTENSIO XR clinicaltrials
    RITALIN clinicaltrials
    CONCERTA clinicaltrials
    COTEMPLA XR-ODT clinicaltrials
    EQUASYM clinicaltrials
    EQUASYM XL clinicaltrials
    METHYLPHENIDATE HYDROCHLORIDE clinicaltrials
    84276 ChEBI
    DTXSID5023299 EPA CompTox Dashboard
    1767 DrugCentral
    METHYLIN rxnorm
    7236 Guide to Pharmacology
    J5.133K Nikkaji
    METHYLPHENIDATE clinicaltrials
    METADATE clinicaltrials
    METHYLPHENIDATE DailyMed
    50062912 BindingDB
    METHYLPHENIDATE HYDROCHLORIDE rxnorm
    METHYLPHENIDATE rxnorm
    DAYTRANA rxnorm
    CONCERTA rxnorm
    RITALIN rxnorm
    The data in this table is sourced from UniChem at EBI.