Dataset

Lyalosidic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310409 contains the MS2 mass spectrum of Lyalosidic acid with the InChIkey UZLBTLIRYSYTRG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H28N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-8,11-12,15,19,21-23,25-26,28-32H,1,9-10H2,(H,33,34)
SMILES OCC1OC(OC2OC=C(C(CC3=NC=CC4=C3NC3=C4C=CC=C3)C2C=C)C(O)=O)C(O)C(O)C1O
InChI Key UZLBTLIRYSYTRG-UHFFFAOYSA-N
Molecular Formula C26H28N2O9
Exact Mass 512.515 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-PR310409
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23757137 PubChem
    23911500 eMolecules
    The data in this table is sourced from UniChem at EBI.