Dataset

Hyoscyamine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA003474 contains the MS2 mass spectrum of Hyoscyamine with the InChIkey RKUNBYITZUJHSG-FXUDXRNXSA-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]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3
InChI Key RKUNBYITZUJHSG-FXUDXRNXSA-N
Molecular Formula C17H23NO3
Exact Mass 289.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA003474
Version
Author
Maintainer
Language
MetadataPublished 2020-02-22
Related Molecule
  • nfdi4chem-mol45379(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00424 drugbank
    CHEBI:17486 chebi
    HYO rcsb_pdb
    CHEMBL1331216 chembl
    41316 surechembl
    PX44XO846X fdasrs
    HYO pdbe
    PD010034 probes_and_drugs
    BIHWEX CCDC
    10695 brenda
    166316 brenda
    34928 brenda
    HMDB0014568 hmdb
    DTXSID80889335 comptox
    NCT03750656 clinicaltrials
    Molport-002-526-676 molport
    1402 drugcentral
    50239982 bindingdb
    The data in this table is sourced from UniChem at EBI.