Dataset

Tricin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00744 contains the MS2 mass spectrum of Tricin with the InChIkey HRGUSFBJBOKSML-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
SMILES COc(c1)c(O)c(OC)cc1C(=C2)Oc(c3)c(c(O)cc(O)3)C(=O)2
InChI Key HRGUSFBJBOKSML-UHFFFAOYSA-N
Molecular Formula C17H14O7
Exact Mass 330.074 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-Fiocruz-FIO00744
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:59979 chebi
    LMPK12110873 lipidmaps
    CHEMBL454320 chembl
    29712335 surechembl
    44475 surechembl
    5281702 pubchem
    D51JZL38TQ fdasrs
    PD127335 probes_and_drugs
    14946 brenda
    190130 brenda
    190223 brenda
    208556 brenda
    Molport-005-310-458 molport
    50487758 bindingdb
    The data in this table is sourced from UniChem at EBI.