Dataset

Reserpiline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01419 contains the MS2 mass spectrum of Reserpiline with the InChIkey KXEMQEGRZWUKJS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3
SMILES CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=C4C=CC(=C5)OC
InChI Key KXEMQEGRZWUKJS-UHFFFAOYSA-N
Molecular Formula C22H26N2O4
Exact Mass 382.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01419
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:50.622813
MetadataModified 2024-01-11T22:23:50.800403
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
136956475 PubChem: Thomson Pharma
MCULE-5705370514 Mcule
95501 PubChem
SCHEMBL15385124 SureChEMBL
14883-83-1 ACToR
The data in this table is sourced from UniChem at EBI.