Dataset

Pteropodine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300251 contains the MS2 mass spectrum of Pteropodine with the InChIkey JMIAZDVHNCCPDM-QLMFUGSGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21+/m0/s1
SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(O)=NC1=CC=CC=C41
InChI Key JMIAZDVHNCCPDM-QLMFUGSGSA-N
Molecular Formula C21H24N2O4
Exact Mass 368.433 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-PR300251
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • methyl (1S,4aS,5aS,6R,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30512801 eMolecules
    60064112 NMRShiftDB
    15448608 PubChem: Thomson Pharma
    10429112 PubChem
    W24PZJ9QRZ FDA SRS
    CB7326387 ChemicalBook
    ZINC000008829465 ZINC
    QIKGOG CCDC
    J17.860H Nikkaji
    81203 ChEBI
    CHEMBL1449034 ChEMBL
    C17595 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.