Dataset

Tricin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00740 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-FIO00740
Version
Author
Maintainer
Language
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
    ZINC000005998961 ZINC
    208556 Brenda
    14946 Brenda
    MTBLC59979 Metabolights
    MCULE-9557900866 Mcule
    5756850 eMolecules
    60018662 NMRShiftDB
    PD127335 ProbesDrugs
    16451774 PubChem: Thomson Pharma
    SCHEMBL44475 SureChEMBL
    520-32-1 ACToR
    D51JZL38TQ FDA SRS
    C10193 KEGG Ligand
    5281702 PubChem
    50487758 BindingDB
    CB3429086 ChemicalBook
    DTXSID20199965 EPA CompTox Dashboard
    LMPK12110873 LipidMaps
    J132.014I Nikkaji
    HY-N1127 MedChemExpress
    CHEMBL454320 ChEMBL
    59979 ChEBI
    The data in this table is sourced from UniChem at EBI.