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
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MetadataPublished 2019-03-28
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:92712 chebi
    CHEMBL2449003 chembl
    1649244 surechembl
    154417 pubchem
    PD045762 probes_and_drugs
    153979 bindingdb
    153980 bindingdb
    154136 bindingdb
    154375 bindingdb
    154387 bindingdb
    154968 bindingdb
    154993 bindingdb
    155017 bindingdb
    155041 bindingdb
    155462 bindingdb
    155469 bindingdb
    155860 bindingdb
    156392 bindingdb
    156717 bindingdb
    156771 bindingdb
    156831 bindingdb
    156839 bindingdb
    156847 bindingdb
    157174 bindingdb
    157187 bindingdb
    157193 bindingdb
    157350 bindingdb
    157358 bindingdb
    157367 bindingdb
    157377 bindingdb
    157420 bindingdb
    157421 bindingdb
    157422 bindingdb
    157423 bindingdb
    157424 bindingdb
    158029 bindingdb
    158645 bindingdb
    158646 bindingdb
    158676 bindingdb
    158801 bindingdb
    158868 bindingdb
    159374 bindingdb
    160312 bindingdb
    160313 bindingdb
    160570 bindingdb
    160598 bindingdb
    160626 bindingdb
    160656 bindingdb
    160657 bindingdb
    161264 bindingdb
    170456 bindingdb
    175350 bindingdb
    175686 bindingdb
    175687 bindingdb
    178564 bindingdb
    178566 bindingdb
    178569 bindingdb
    178571 bindingdb
    178574 bindingdb
    180498 bindingdb
    180514 bindingdb
    180517 bindingdb
    180520 bindingdb
    180523 bindingdb
    181979 bindingdb
    181980 bindingdb
    181991 bindingdb
    181995 bindingdb
    182000 bindingdb
    182004 bindingdb
    182008 bindingdb
    184219 bindingdb
    184225 bindingdb
    184230 bindingdb
    186477 bindingdb
    187251 bindingdb
    187253 bindingdb
    187254 bindingdb
    187255 bindingdb
    187270 bindingdb
    187271 bindingdb
    187272 bindingdb
    187287 bindingdb
    187288 bindingdb
    187289 bindingdb
    187304 bindingdb
    187305 bindingdb
    187306 bindingdb
    187321 bindingdb
    187322 bindingdb
    187323 bindingdb
    51211350 bindingdb
    51211375 bindingdb
    51211380 bindingdb
    51211397 bindingdb
    51211400 bindingdb
    51211409 bindingdb
    Molport-035-675-645 molport
    The data in this table is sourced from UniChem at EBI.