Dataset

Sophoricoside

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01310 contains the MS2 mass spectrum of Sophoricoside with the InChIkey ISQRJFLLIDGZEP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI Key ISQRJFLLIDGZEP-UHFFFAOYSA-N
Molecular Formula C21H20O10
Exact Mass 432.106 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01310
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:16.510758
MetadataModified 2024-01-11T22:25:16.662785
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3711623788 Mcule
6078194 PubChem
HMDB0252680 Human Metabolome Database
PD056726 ProbesDrugs
60075536 NMRShiftDB
3363737 eMolecules
The data in this table is sourced from UniChem at EBI.