Dataset

Trifolirhizin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01616 contains the MS2 mass spectrum of Trifolirhizin with the InChIkey VGSYCWGXBYZLLE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2
SMILES C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
InChI Key VGSYCWGXBYZLLE-UHFFFAOYSA-N
Molecular Formula C22H22O10
Exact Mass 446.121 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-BML01616
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(hydroxymethyl)-6-(5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy)oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4485132 PubChem
    MCULE-7217801825 Mcule
    HMDB0036630 Human Metabolome Database
    PD087565 ProbesDrugs
    60075500 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.