Dataset

Pilocarpine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300629 contains the MS2 mass spectrum of Pilocarpine with the InChIkey QCHFTSOMWOSFHM-WPRPVWTQSA-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/t8-,10-/m0/s1
SMILES CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O
InChI Key QCHFTSOMWOSFHM-WPRPVWTQSA-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-PR300629
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (3S,4R)-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
    5910 PubChem
    15195684 PubChem: Thomson Pharma
    15195683 PubChem: Thomson Pharma
    60022836 NMRShiftDB
    PD009816 ProbesDrugs
    9PL PDBe
    01MI4Q9DI3 FDA SRS
    LSM-5909 LINCS
    91484-73-0 ACToR
    SCHEMBL15146 SureChEMBL
    VUITY clinicaltrials
    1933959 eMolecules
    pilocarpine DailyMed
    PA450962 PharmGKB
    HMDB0015217 Human Metabolome Database
    13784 Brenda
    CB1756779 ChemicalBook
    PILOCARPINE HYDROCHLORIDE rxnorm
    50008072 BindingDB
    PILOCARPINE rxnorm
    J9.328I Nikkaji
    305 Guide to Pharmacology
    PILOCARPINE NITRATE rxnorm
    ZINC000000075008 ZINC
    2166 DrugCentral
    DTXSID1021162 EPA CompTox Dashboard
    MCULE-2634151840 Mcule
    PILOPINE HS clinicaltrials
    PILOCARPINE NITRATE clinicaltrials
    PILOCARPINE HYDROCHLORIDE clinicaltrials
    PILOCARPINE clinicaltrials
    OCUSERT PILO clinicaltrials
    PILOCARPINE DailyMed
    DB01085 DrugBank
    CHEMBL550 ChEMBL
    8207 ChEBI
    C07474 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.