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
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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
    260 DrugCentral
    DTXSID4020113 EPA CompTox Dashboard
    320 Guide to Pharmacology
    HY-B1205 MedChemExpress
    7C0697DR9I FDA SRS
    ISOPTO ATROPINE clinicaltrials
    ATROPISOL clinicaltrials
    ATROPINE SULFATE clinicaltrials
    ATROPINE clinicaltrials
    ATROPEN clinicaltrials
    ATROPINE SULFATE rxnorm
    ATROPINE rxnorm
    ISOPTO ATROPINE rxnorm
    ATROPEN rxnorm
    ATROPINE DailyMed
    50403547 BindingDB
    J82.086E Nikkaji
    J9.268A Nikkaji
    J1.385.555B Nikkaji
    CHEMBL517712 ChEMBL
    C01479 KEGG Ligand
    16684 ChEBI
    478873 eMolecules
    70008206 NMRShiftDB
    PD009911 ProbesDrugs
    16376693 PubChem: Thomson Pharma
    SCHEMBL2812 SureChEMBL
    ATROPINE SULFATE MONOHYDRATE clinicaltrials
    78734 ChEBI
    atropine DailyMed
    MTBLC78734 Metabolights
    4789 Brenda
    CB2163178 ChemicalBook
    MTBLC16684 Metabolights
    The data in this table is sourced from UniChem at EBI.