Dataset

Haploperoside C Acetate; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01648 contains the MS2 mass spectrum of Haploperoside C Acetate with the InChIkey SRRSXTUHQTVABO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H40O19/c1-14-27(45-15(2)35)29(47-17(4)37)31(49-19(6)39)33(44-14)43-13-25-28(46-16(3)36)30(48-18(5)38)32(50-20(7)40)34(53-25)52-24-12-22-21(11-23(24)42-8)9-10-26(41)51-22/h9-12,14,25,27-34H,13H2,1-8H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key SRRSXTUHQTVABO-UHFFFAOYSA-N
Molecular Formula C34H40O19
Exact Mass 752.216 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-BML01648
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [4,5-diacetyloxy-2-methyl-6-[[3,4,5-triacetyloxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxan-2-yl]methoxy]oxan-3-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20106092 PubChem
    10117424 eMolecules
    MCULE-5205539816 Mcule
    The data in this table is sourced from UniChem at EBI.