Dataset

Hydrastine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00613 contains the MS2 mass spectrum of Hydrastine with the InChIkey JZUTXVTYJDCMDU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3
SMILES CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3
InChI Key JZUTXVTYJDCMDU-UHFFFAOYSA-N
Molecular Formula C21H21NO6
Exact Mass 383.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00613
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6,7-dimethoxy-3-(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
    770176 eMolecules
    PD029710 ProbesDrugs
    1309 PubChem
    10017666 NMRShiftDB
    SCHEMBL1649584 SureChEMBL
    HMDB0253237 Human Metabolome Database
    50238639 BindingDB
    MCULE-9252405132 Mcule
    J3.292.555C Nikkaji
    CHEMBL1256868 ChEMBL
    The data in this table is sourced from UniChem at EBI.