Dataset

Hesperetin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306600 contains the MS2 mass spectrum of Hesperetin with the InChIkey AIONOLUJZLIMTK-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3
SMILES	COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
InChI Key	AIONOLUJZLIMTK-UHFFFAOYSA-N
Molecular Formula	C16H14O6
Exact Mass	302.282 g/mol

Data and Resources

HesperetinHTML

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Related Molecule ⌄

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

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-PR306600
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:95167	chebi
CHEMBL88169	chembl
29484563	surechembl
30696626	surechembl
765368	surechembl
3593	pubchem
10953	gtopdb
PD056258	probes_and_drugs
CANPOA	CCDC
172907	brenda
HMDB0030746	hmdb
51586422	bindingdb
Molport-001-741-418	molport
The data in this table is sourced from UniChem at EBI.