Dataset

(-)-B-Hydrastine

This MassBank record with Accession MSBNK-RIKEN-PR310433 contains the MS2 mass spectrum of (-)-B-Hydrastine with the InChIkey JZUTXVTYJDCMDU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3
SMILES COC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=C1C=C1OCOC1=C2
InChI Key JZUTXVTYJDCMDU-UHFFFAOYSA-N
Molecular Formula C21H21NO6
Exact Mass 383.400 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-PR310433
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:34:41.001800
MetadataModified 2025-02-09T18:29:46.446681
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
770176 eMolecules
PD029710 ProbesDrugs
1309 PubChem
10017666 NMRShiftDB
SCHEMBL1649584 SureChEMBL
HMDB0253237 Human Metabolome Database
50238639 BindingDB
MCULE-9252405132 Mcule
J3.292.555C Nikkaji
CHEMBL1256868 ChEMBL
The data in this table is sourced from UniChem at EBI.