Dataset

Hyoscyamine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300465 contains the MS2 mass spectrum of Hyoscyamine with the InChIkey RKUNBYITZUJHSG-VFSICIBPSA-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-/m1/s1
SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)C1=CC=CC=C1
InChI Key RKUNBYITZUJHSG-VFSICIBPSA-N
Molecular Formula C17H23NO3
Exact Mass 289.375 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-RIKEN-PR300465
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60027292 NMRShiftDB
    PD045762 ProbesDrugs
    154417 PubChem
    LSM-2897 LINCS
    29549896 eMolecules
    MTBLC92712 Metabolights
    CHEMBL2449003 ChEMBL
    SCHEMBL1649244 SureChEMBL
    92712 ChEBI
    50497835 BindingDB
    ZINC000000000056 ZINC
    The data in this table is sourced from UniChem at EBI.