Dataset

Tectorigenin

This MassBank record with Accession MSBNK-RIKEN-PR307541 contains the MS2 mass spectrum of Tectorigenin with the InChIkey OBBCRPUNCUPUOS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
SMILES	COC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O
InChI Key	OBBCRPUNCUPUOS-UHFFFAOYSA-N
Molecular Formula	C16H12O6
Exact Mass	300.266 g/mol

Data and Resources

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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-PR307541
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:43:07.058285
MetadataModified	2024-01-11T20:43:07.210461
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5281811	PubChem
60029788	NMRShiftDB
R0U	PDBe
14849529	PubChem: Thomson Pharma
855130H9CO	FDA SRS
548-77-6	ACToR
PD065304	ProbesDrugs
SCHEMBL351641	SureChEMBL
J6.452A	Nikkaji
ZINC000000899915	ZINC
IFUPOP	CCDC
50241222	BindingDB
HY-N0792	MedChemExpress
9429	ChEBI
MCULE-2089260732	Mcule
DTXSID50203286	EPA CompTox Dashboard
LMPK12050385	LipidMaps
144039	Brenda
MTBLC9429	Metabolights
HMDB0042024	Human Metabolome Database
9738	Guide to Pharmacology
CB11040716	ChemicalBook
CHEMBL242740	ChEMBL
C10534	KEGG Ligand
12015584	PubChem: Drugs of the Future
5757342	eMolecules
The data in this table is sourced from UniChem at EBI.