Dataset

Pilocarpine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310553 contains the MS2 mass spectrum of Pilocarpine with the InChIkey QCHFTSOMWOSFHM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
SMILES CCC1C(CC2=CN=CN2C)COC1=O
InChI Key QCHFTSOMWOSFHM-UHFFFAOYSA-N
Molecular Formula C11H16N2O2
Exact Mass 208.261 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310553
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:39460 chebi
    CHEMBL4073182 chembl
    41890 surechembl
    4819 pubchem
    305 gtopdb
    PD071425 probes_and_drugs
    CACXUC CCDC
    HMDB0243539 hmdb
    50238622 bindingdb
    The data in this table is sourced from UniChem at EBI.