Dataset

Atropine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002227 contains the MS2 mass spectrum of Atropine with the InChIkey RKUNBYITZUJHSG-SPUOUPEWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
SMILES OCC(C(=O)OC(C2)CC(C3)N(C)C(C3)2)c(c1)cccc1
InChI Key RKUNBYITZUJHSG-SPUOUPEWSA-N
Molecular Formula C17H23NO3
Exact Mass 289.168 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-Keio_Univ-KO002227
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol99898(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00572 drugbank
    CHEBI:16684 chebi
    CHEBI:78734 chebi
    CHEMBL517712 chembl
    2812 surechembl
    7C0697DR9I fdasrs
    PD009911 probes_and_drugs
    4789 brenda
    Molport-001-742-593 molport
    260 drugcentral
    50403547 bindingdb
    The data in this table is sourced from UniChem at EBI.