Dataset

Acacetin-5-O-xyloside; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003722 contains the MS2 mass spectrum of Acacetin-5-O-xyloside with the InChIkey NCCOYBTYDAMVTO-ZQEFQCJFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O9/c1-27-12-4-2-10(3-5-12)15-8-13(23)18-16(29-15)6-11(22)7-17(18)30-21-20(26)19(25)14(24)9-28-21/h2-8,14,19-22,24-26H,9H2,1H3/t14-,19+,20-,21+/m1/s1
SMILES C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(OC)C=C3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O
InChI Key NCCOYBTYDAMVTO-ZQEFQCJFSA-N
Molecular Formula C21H20O9
Exact Mass 416.111 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-BS-BS003722
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 7-hydroxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134751718 PubChem
    The data in this table is sourced from UniChem at EBI.