Dataset

Genipin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81275 contains the MS mass spectrum of Genipin with the InChIkey AZKVWQKMDGGDSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3
SMILES COC(=O)C1=COC(C2C1CC=C2CO)O
InChI Key AZKVWQKMDGGDSV-UHFFFAOYSA-N
Molecular Formula C11H14O5
Exact Mass 226.084 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-BML81275
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:94318 chebi
    9609096 surechembl
    23340 pubchem
    PD055985 probes_and_drugs
    HMDB0035830 hmdb
    Molport-009-019-349 molport
    The data in this table is sourced from UniChem at EBI.