Dataset

Reserpic acid

This MassBank record with Accession MSBNK-RIKEN-PR305239 contains the MS2 mass spectrum of Reserpic acid with the InChIkey JVHNBFFHWQQPLL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)
SMILES COC1C(O)CC2CN3CCC4=C(NC5=C4C=CC(OC)=C5)C3CC2C1C(O)=O
InChI Key JVHNBFFHWQQPLL-UHFFFAOYSA-N
Molecular Formula C22H28N2O5
Exact Mass 400.475 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-PR305239
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:05.628340
MetadataModified 2024-01-11T20:44:05.778183
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
419781 PubChem
PD053341 ProbesDrugs
181717 ChEBI
SCHEMBL14286189 SureChEMBL
52830 BindingDB
CHEMBL1570525 ChEMBL
The data in this table is sourced from UniChem at EBI.