Dataset

NP-000002(10); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307064 contains the MS2 mass spectrum of NP-000002(10) with the InChIkey FIAAVMJLAGNUKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2
SMILES OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1
InChI Key FIAAVMJLAGNUKW-UHFFFAOYSA-N
Molecular Formula C27H30O15
Exact Mass 594.522 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307064
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0030708 Human Metabolome Database
    MCULE-4476334248 Mcule
    SCHEMBL22678703 SureChEMBL
    70129847 NMRShiftDB
    29909213 eMolecules
    PD125496 ProbesDrugs
    3084407 PubChem
    The data in this table is sourced from UniChem at EBI.