Dataset

Alpinetin

This MassBank record with Accession MSBNK-NaToxAq-NA001571 contains the MS2 mass spectrum of Alpinetin with the InChIkey QQQCWVDPMPFUGF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3
SMILES COC1=C2C(=O)CC(OC2=CC(=C1)O)C3=CC=CC=C3
InChI Key QQQCWVDPMPFUGF-UHFFFAOYSA-N
Molecular Formula C16H14O4
Exact Mass 270.089 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA001571
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:15:52.884345
MetadataModified 2025-02-09T17:14:29.575055
MetadataPublished 2019-07-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1460823 SureChEMBL
4053302 PubChem
PD065184 ProbesDrugs
60030213 NMRShiftDB
192656 ChEBI
2736451 eMolecules
CHEMBL427218 ChEMBL
CB12130212 ChemicalBook
J258.620G Nikkaji
LMPK12140215 LipidMaps
MCULE-7826903505 Mcule
DTXSID30398801 EPA CompTox Dashboard
HMDB0248258 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.