Dataset

Berberine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO01092 contains the MS2 mass spectrum of Berberine with the InChIkey YBHILYKTIRIUTE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
SMILES COc(c5)c(OC)c(c4)c(c5)cc([n+1]34)c(c1)c(CC3)cc(O2)c(OC2)1
InChI Key YBHILYKTIRIUTE-UHFFFAOYSA-N
Molecular Formula [C20H18NO4]+
Exact Mass 336.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO01092
Version
Author
Maintainer
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MetadataPublished 2020-06-10
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
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    PD006954 probes_and_drugs
    UCACUW CCDC
    1612 brenda
    45222 brenda
    HMDB0003409 hmdb
    DTXSID9043857 comptox
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    Molport-002-507-191 molport
    50203126 bindingdb
    The data in this table is sourced from UniChem at EBI.