Dataset

Pinocembrine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81973 contains the MS mass spectrum of Pinocembrine with the InChIkey URFCJEUYXNAHFI-CYBMUJFWSA-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/t13-/m1/s1
SMILES C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
InChI Key URFCJEUYXNAHFI-CYBMUJFWSA-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-BML81973
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:15.310510
MetadataModified 2024-01-11T22:27:15.482564
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
667544 PubChem
70129947 NMRShiftDB
96096527 PubChem: Thomson Pharma
68745-38-0 ACToR
SCHEMBL10080882 SureChEMBL
MEJWUU CCDC
26666 BindingDB
ZINC000000004935 ZINC
DTXSID30349853 EPA CompTox Dashboard
MCULE-5533647840 Mcule
CHEMBL399249 ChEMBL
8306826 eMolecules
The data in this table is sourced from UniChem at EBI.