Dataset

Tricetin

This MassBank record with Accession MSBNK-BS-BS003276 contains the MS2 mass spectrum of Tricetin with the InChIkey ARSRJFRKVXALTF-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
SMILES	C=1(C(=C(C(=C(C1O[H])O[H])O[H])[H])C2=C(C(=O)C=3C(=C(C(=C(C3O2)[H])O[H])[H])O[H])[H])[H]
InChI Key	ARSRJFRKVXALTF-UHFFFAOYSA-N
Molecular Formula	C15H10O7
Exact Mass	302.043 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003276
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:28.100912
MetadataModified	2024-01-11T12:35:28.257770
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB08230	DrugBank
C10192	KEGG Ligand
CHEMBL247484	ChEMBL
507499	ChEBI
MYF	PDBe
4368626	eMolecules
5281701	PubChem
60022461	NMRShiftDB
14849619	PubChem: Thomson Pharma
520-31-0	ACToR
PD001278	ProbesDrugs
HMDB0029620	Human Metabolome Database
63248	Brenda
2788	Brenda
MTBLC507499	Metabolights
CB21073687	ChemicalBook
TRICETIN	rxnorm
ZINC000013520048	ZINC
LMPK12110847	LipidMaps
DTXSID60199964	EPA CompTox Dashboard
26656	BindingDB
MCULE-5962995471	Mcule
J11.687D	Nikkaji
SCHEMBL158384	SureChEMBL
MolPort-003-665-808	MolPort
5627PY99ZO	FDA SRS
The data in this table is sourced from UniChem at EBI.