Dataset

Protopine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301847 contains the MS2 mass spectrum of Protopine with the InChIkey GPTFURBXHJWNHR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
SMILES CN1CCC2=CC3=C(OCO3)C=C2C(=O)CC2=C(C1)C1=C(OCO1)C=C2
InChI Key GPTFURBXHJWNHR-UHFFFAOYSA-N
Molecular Formula C20H19NO5
Exact Mass 353.374 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-PR301847
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Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    874033 eMolecules
    130-86-9 ACToR
    PD056637 ProbesDrugs
    4970 PubChem
    14754535 PubChem: Thomson Pharma
    14827876 PubChem: Thomson Pharma
    LSM-3874 LINCS
    UIW569HT35 FDA SRS
    60026195 NMRShiftDB
    MCULE-3488414657 Mcule
    SCHEMBL178013 SureChEMBL
    HMDB0003920 Human Metabolome Database
    16415 Rhea
    ZINC000020111233 ZINC
    MTBLC16415 Metabolights
    CB9347526 ChemicalBook
    HY-N0793 MedChemExpress
    50286643 BindingDB
    PROTPN CCDC
    DTXSID90156282 EPA CompTox Dashboard
    J40.085H Nikkaji
    10762 Brenda
    C05189 KEGG Ligand
    CHEMBL453019 ChEMBL
    16415 ChEBI
    The data in this table is sourced from UniChem at EBI.