Dataset

Haploperoside C; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81331 contains the MS mass spectrum of Haploperoside C with the InChIkey FCIZPHNZRNLUJD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H28O13/c1-8-15(24)17(26)19(28)21(32-8)31-7-13-16(25)18(27)20(29)22(35-13)34-12-6-10-9(5-11(12)30-2)3-4-14(23)33-10/h3-6,8,13,15-22,24-29H,7H2,1-2H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)O)O)O)O)O)O
InChI Key FCIZPHNZRNLUJD-UHFFFAOYSA-N
Molecular Formula C22H28O13
Exact Mass 500.153 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-BML81331
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20106091 pubchem
    The data in this table is sourced from UniChem at EBI.