Dataset

Noscapine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002269 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-WA002269
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14831210 PubChem: Thomson Pharma
    14904386 PubChem: Thomson Pharma
    73237 ChEBI
    275196 PubChem
    60027813 NMRShiftDB
    08N PDBe
    PD012688 ProbesDrugs
    8V32U4AOQU FDA SRS
    LSM-3997 LINCS
    128-62-1 ACToR
    501130 eMolecules
    DB06174 DrugBank
    73237 Rhea
    ZINC000019418974 ZINC
    HMDB0033439 Human Metabolome Database
    MCULE-5334942206 Mcule
    SCHEMBL4559 SureChEMBL
    MTBLC73237 Metabolights
    226060 Brenda
    10212 Guide to Pharmacology
    CB8468501 ChemicalBook
    NOSCAPINE rxnorm
    NOSCAPINE clinicaltrials
    NOSCAPINE HYDROCHLORIDE clinicaltrials
    HY-13716 MedChemExpress
    50424716 BindingDB
    DTXSID4023385 EPA CompTox Dashboard
    1973 DrugCentral
    J9.283E Nikkaji
    QQQAPM CCDC
    A4C6WE7BZN FDA SRS
    CHEMBL364713 ChEMBL
    C09592 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.