Dataset

Cyanidine-3-O-sambubioside

This MassBank record with Accession MSBNK-RIKEN-PR306918 contains the MS2 mass spectrum of Cyanidine-3-O-sambubioside with the InChIkey ZPPQIOUITZSYAO-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1
SMILES OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O
InChI Key ZPPQIOUITZSYAO-UHFFFAOYSA-O
Molecular Formula [C26H29O15]+
Exact Mass 581.503 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-PR306918
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:20.871191
MetadataModified 2024-01-11T20:41:21.026844
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
74976920 PubChem
HMDB0037976 Human Metabolome Database
PD161371 ProbesDrugs
60114753 NMRShiftDB
The data in this table is sourced from UniChem at EBI.