Dataset

Limocitrin; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81601 contains the MS mass spectrum of Limocitrin with the InChIkey IBXCKSUZOFKGSB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O
InChI Key IBXCKSUZOFKGSB-UHFFFAOYSA-N
Molecular Formula C17H14O8
Exact Mass 346.069 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-BML81601
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:168450 chebi
    LMPK12113241 lipidmaps
    CHEMBL452488 chembl
    29411754 surechembl
    3688642 surechembl
    5489485 pubchem
    HMDB0029516 hmdb
    Molport-009-753-034 molport
    The data in this table is sourced from UniChem at EBI.