Dataset

Atropine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000927 contains the MS 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000927
Version
Author
Maintainer
Language
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
    50006601 bindingdb
    50006690 bindingdb
    50031780 bindingdb
    50031785 bindingdb
    50032125 bindingdb
    50033030 bindingdb
    50033031 bindingdb
    50033033 bindingdb
    50033252 bindingdb
    50033253 bindingdb
    50033730 bindingdb
    50033731 bindingdb
    50034651 bindingdb
    50036156 bindingdb
    50036157 bindingdb
    50061085 bindingdb
    50062722 bindingdb
    50062724 bindingdb
    50062725 bindingdb
    50075605 bindingdb
    50076790 bindingdb
    50153207 bindingdb
    50177425 bindingdb
    50214185 bindingdb
    50214186 bindingdb
    50214226 bindingdb
    50214262 bindingdb
    50231232 bindingdb
    50598726 bindingdb
    50618357 bindingdb
    50622667 bindingdb
    50627178 bindingdb
    50631225 bindingdb
    50643427 bindingdb
    50643468 bindingdb
    50643469 bindingdb
    50654300 bindingdb
    50654367 bindingdb
    50660659 bindingdb
    50739587 bindingdb
    50753785 bindingdb
    50989542 bindingdb
    50989870 bindingdb
    50991498 bindingdb
    51005629 bindingdb
    51005630 bindingdb
    51008131 bindingdb
    51016846 bindingdb
    51016847 bindingdb
    51016848 bindingdb
    51150334 bindingdb
    51150378 bindingdb
    51150411 bindingdb
    51150413 bindingdb
    51150480 bindingdb
    51151197 bindingdb
    51151226 bindingdb
    51151235 bindingdb
    51192865 bindingdb
    51192874 bindingdb
    51192878 bindingdb
    51192910 bindingdb
    51330008 bindingdb
    51330034 bindingdb
    51330039 bindingdb
    51330042 bindingdb
    51330048 bindingdb
    51330055 bindingdb
    51330062 bindingdb
    Molport-001-742-593 molport
    260 drugcentral
    The data in this table is sourced from UniChem at EBI.