Dataset

Pinoresinol

This MassBank record with Accession MSBNK-RIKEN-PR308005 contains the MS2 mass spectrum of Pinoresinol with the InChIkey HGXBRUKMWQGOIE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3
SMILES COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(O)C=C1
InChI Key HGXBRUKMWQGOIE-UHFFFAOYSA-N
Molecular Formula C20H22O6
Exact Mass 358.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308005
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:00:10.249572
MetadataModified 2025-02-09T18:23:36.362129
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10008983 NMRShiftDB
SCHEMBL122106 SureChEMBL
14901260 PubChem: Thomson Pharma
487-36-5 ACToR
PD069835 ProbesDrugs
172513 Brenda
CB6220091 ChemicalBook
HMDB0251858 Human Metabolome Database
CHEMBL2252392 ChEMBL
J456.458H Nikkaji
234817 PubChem
The data in this table is sourced from UniChem at EBI.