Dataset

Reserpiline; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82046 contains the MS mass spectrum of Reserpiline with the InChIkey KXEMQEGRZWUKJS-UHFFFAOYSA-N.

Chemical Information

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-BML82046
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
    • 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.