Dataset

Pseudobaptigenin

This MassBank record with Accession MSBNK-BS-BS003051 contains the MS2 mass spectrum of Pseudobaptigenin with the InChIkey KNJNBKINYHZUGC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
SMILES C1(OC2=C(O1)C(=C(C(=C2[H])[H])C3=C(OC4=C(C3=O)C(=C(C(=C4[H])O[H])[H])[H])[H])[H])([H])[H]
InChI Key KNJNBKINYHZUGC-UHFFFAOYSA-N
Molecular Formula C16H10O5
Exact Mass 282.053 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-BS-BS003051
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:14.400147
MetadataModified 2025-02-09T08:50:45.519092
MetadataPublished 2017-12-01
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC8602 Metabolights
35048 Brenda
HMDB0036616 Human Metabolome Database
ZINC000018847051 ZINC
78RRL4HLL9 FDA SRS
SCHEMBL73016 SureChEMBL
5281805 PubChem
60031695 NMRShiftDB
14848785 PubChem: Thomson Pharma
90-29-9 ACToR
DTXSID70237982 EPA CompTox Dashboard
50299414 BindingDB
J10.602J Nikkaji
LMPK12050053 LipidMaps
C10522 KEGG Ligand
CHEMBL486176 ChEMBL
8602 ChEBI
The data in this table is sourced from UniChem at EBI.