Dataset

Tricin

This MassBank record with Accession MSBNK-Fiocruz-FIO00739 contains the MS2 mass spectrum of Tricin with the InChIkey HRGUSFBJBOKSML-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
SMILES COc(c1)c(O)c(OC)cc1C(=C2)Oc(c3)c(c(O)cc(O)3)C(=O)2
InChI Key HRGUSFBJBOKSML-UHFFFAOYSA-N
Molecular Formula C17H14O7
Exact Mass 330.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00739
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:39:04.932292
MetadataModified 2024-01-11T16:39:05.094222
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20199965 EPA CompTox Dashboard
HY-N1127 MedChemExpress
ZINC000005998961 ZINC
LMPK12110873 LipidMaps
CB3429086 ChemicalBook
MolPort-005-310-458 MolPort
50487758 BindingDB
MCULE-9557900866 Mcule
J132.014I Nikkaji
MTBLC59979 Metabolights
5281702 PubChem
14946 Brenda
C10193 KEGG Ligand
208556 Brenda
PD127335 ProbesDrugs
D51JZL38TQ FDA SRS
16451774 PubChem: Thomson Pharma
520-32-1 ACToR
SCHEMBL44475 SureChEMBL
5756850 eMolecules
60018662 NMRShiftDB
59979 ChEBI
CHEMBL454320 ChEMBL
The data in this table is sourced from UniChem at EBI.