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
520-31-0	ACToR
5281701	PubChem
14849619	PubChem: Thomson Pharma
60022461	NMRShiftDB
PD001278	ProbesDrugs
MCULE-5962995471	Mcule
5627PY99ZO	FDA SRS
SCHEMBL158384	SureChEMBL
J11.687D	Nikkaji
ZINC000013520048	ZINC
26656	BindingDB
TRICETIN	rxnorm
DTXSID60199964	EPA CompTox Dashboard
LMPK12110847	LipidMaps
63248	Brenda
MTBLC507499	Metabolights
2788	Brenda
CB21073687	ChemicalBook
HMDB0029620	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.