Dataset

Liquiritin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01654 contains the MS2 mass spectrum of Liquiritin with the InChIkey DEMKZLAVQYISIA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2
SMILES C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI Key DEMKZLAVQYISIA-UHFFFAOYSA-N
Molecular Formula C21H22O9
Exact Mass 418.126 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-BML01654
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:40.189281
MetadataModified 2024-01-11T22:27:40.339471
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3794292 PubChem
SCHEMBL13931703 SureChEMBL
HMDB0029520 Human Metabolome Database
SCHEMBL24209243 SureChEMBL
60054387 NMRShiftDB
23752203 eMolecules
57291767 PubChem: Thomson Pharma
PD056314 ProbesDrugs
The data in this table is sourced from UniChem at EBI.