Dataset

Atropine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80800 contains the MS mass spectrum of Atropine with the InChIkey RKUNBYITZUJHSG-UHFFFAOYSA-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
SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI Key RKUNBYITZUJHSG-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80800
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MetadataPublished 2016-01-19
Related Molecule
  • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3661 PubChem
    14922458 PubChem: Thomson Pharma
    PD015119 ProbesDrugs
    LSM-15608 LINCS
    620-61-1 ACToR
    101-31-5 ACToR
    SCHEMBL2813 SureChEMBL
    51-55-8 ACToR
    732783 eMolecules
    MTBLC104243 Metabolights
    10008977 NMRShiftDB
    CHEMBL9751 ChEMBL
    HMDB0242263 Human Metabolome Database
    104243 ChEBI
    J721.767F Nikkaji
    86231 BindingDB
    MCULE-9094179165 Mcule
    J23.935F Nikkaji
    The data in this table is sourced from UniChem at EBI.