Dataset

Poldine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+

This MassBank record with Accession MSBNK-Univ_Connecticut-CO000347 contains the MS2 mass spectrum of Poldine with the InChIkey CQRKVVAGMJJJSR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
SMILES C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI Key CQRKVVAGMJJJSR-UHFFFAOYSA-N
Molecular Formula [C21H26NO3]+
Exact Mass 340.191 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Univ_Connecticut-CO000347
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11018 PubChem
    DB13507 DrugBank
    J6.785G Nikkaji
    POLDINE METHYLSULFATE rxnorm
    2226 DrugCentral
    8R92106W2F FDA SRS
    135443 ChEBI
    POLDINE rxnorm
    596-50-9 ACToR
    CHEMBL2110948 ChEMBL
    PD072777 ProbesDrugs
    SCHEMBL1641786 SureChEMBL
    The data in this table is sourced from UniChem at EBI.