Dataset

Pseudobaptigenin

This MassBank record with Accession MSBNK-BS-BS003050 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-BS003050
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:49.598119
MetadataModified 2024-01-11T12:34:49.765498
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J10.602J Nikkaji
SCHEMBL73016 SureChEMBL
78RRL4HLL9 FDA SRS
50299414 BindingDB
ZINC000018847051 ZINC
DTXSID70237982 EPA CompTox Dashboard
LMPK12050053 LipidMaps
HMDB0036616 Human Metabolome Database
MTBLC8602 Metabolights
35048 Brenda
5281805 PubChem
60031695 NMRShiftDB
14848785 PubChem: Thomson Pharma
90-29-9 ACToR
C10522 KEGG Ligand
CHEMBL486176 ChEMBL
8602 ChEBI
The data in this table is sourced from UniChem at EBI.