Dataset

Pinocembrin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00902 contains the MS2 mass spectrum of Pinocembrin with the InChIkey URFCJEUYXNAHFI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
InChI Key URFCJEUYXNAHFI-UHFFFAOYSA-N
Molecular Formula C15H12O4
Exact Mass 256.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:06.051093
MetadataModified 2024-01-11T22:28:06.209465
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
731556 eMolecules
CHEMBL70518 ChEMBL
238782 PubChem
J45.987I Nikkaji
60024492 NMRShiftDB
PD056515 ProbesDrugs
14774509 PubChem: Thomson Pharma
SCHEMBL291899 SureChEMBL
243060 BindingDB
DTXSID80285959 EPA CompTox Dashboard
MCULE-9302131889 Mcule
CB6378884 ChemicalBook
29580 Brenda
The data in this table is sourced from UniChem at EBI.