Dataset

Acacetin-5-O-xyloside

This MassBank record with Accession MSBNK-BS-BS003723 contains the MS2 mass spectrum of Acacetin-5-O-xyloside with the InChIkey NCCOYBTYDAMVTO-ZQEFQCJFSA-N.

Chemical Info

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-BS003723
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:05.251946
MetadataModified 2024-01-11T12:33:05.402944
MetadataPublished 2017-12-01
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.