Dataset

Noscapine; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002274 contains the MS mass spectrum of Noscapine with the InChIkey AKNNEGZIBPJZJG-MSOLQXFVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
SMILES CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
InChI Key AKNNEGZIBPJZJG-MSOLQXFVSA-N
Molecular Formula C22H23NO7
Exact Mass 413.147 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-WA002274
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06174 drugbank
    CHEBI:73237 chebi
    08N rcsb_pdb
    CHEMBL364713 chembl
    29365828 surechembl
    4559 surechembl
    275196 pubchem
    8V32U4AOQU fdasrs
    A4C6WE7BZN fdasrs
    08N pdbe
    PD012688 probes_and_drugs
    QQQAPM CCDC
    226060 brenda
    226061 brenda
    HMDB0033439 hmdb
    DTXSID4023385 comptox
    DTXSID901032089 comptox
    NCT00183950 clinicaltrials
    NCT00912899 clinicaltrials
    FDB011477 foodb
    Molport-000-487-311 molport
    1973 drugcentral
    50424716 bindingdb
    The data in this table is sourced from UniChem at EBI.